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
4192 1exk 4677 cing 1-original 5 AMBER distance NOE ambi


#   20 SER  HG           22 ALA  HN          3.30    (#    004:999  Manually )
 &rst
  ixpk= 4, iat= 294, 305, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   18 HIS  HA           17 CYS  HN          5.00    (#    000:999  Manually)
 &rst
  ixpk= 0, iat= 265, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA           34 CYS  HN          5.00    (#    001:999  Manually)
 &rst
  ixpk= 1, iat= 484, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           60 GLY  HN          6.00    (#      0:10   Preassigned)
 &rst
  ixpk= 0, iat= 823, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 THR  HN           60 GLY  HN          5.00    (#      2:10   Preassigned)
 &rst
  ixpk= 2, iat= 861, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          60 GLY  HN          6.00    (#      3:10   Preassigned)
 &rst
  ixpk= 3, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 825, 826,
 &end
#
#   60 GLY  HA1          60 GLY  HN          5.00    (#      4:10   Preassigned)
 &rst
  ixpk= 4, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   60 GLY  HA2          60 GLY  HN          5.00    (#      5:10   Preassigned)
 &rst
  ixpk= 5, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   56 CYS  HB1          60 GLY  HN          5.00    (#      6:10   Preassigned)
 &rst
  ixpk= 6, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           60 GLY  HN          5.00    (#      7:10   Preassigned)
 &rst
  ixpk= 7, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 834, 835,
 &end
#
#   73 HIS  HN           74 GLY  HN          5.00    (#      8:10   Preassigned)
 &rst
  ixpk= 8, iat=1041,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           74 GLY  HN          5.00    (#      9:10   Preassigned)
 &rst
  ixpk= 9, iat=1065,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HA           74 GLY  HN          5.00    (#     11:10   Preassigned)
 &rst
  ixpk= 11, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA1          74 GLY  HN          5.00    (#     12:10   Preassigned)
 &rst
  ixpk= 12, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   74 GLY  HA2          74 GLY  HN          5.00    (#     13:10   Preassigned)
 &rst
  ixpk= 13, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   73 HIS  QB           74 GLY  HN          5.00    (#     14:10   Preassigned)
 &rst
  ixpk= 14, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB2          74 GLY  HN          5.00    (#     15:10   Preassigned)
 &rst
  ixpk= 15, iat=1011,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HN           61 THR  HN          5.00    (#     16:10   Preassigned)
 &rst
  ixpk= 16, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HN          5.00    (#     17:10   Preassigned)
 &rst
  ixpk= 17, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           61 THR  HN          5.00    (#     18:10   Preassigned)
 &rst
  ixpk= 18, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          61 THR  HN          5.00    (#     19:10   Preassigned)
 &rst
  ixpk= 19, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   61 THR  HB           61 THR  HN          5.00    (#     20:10   Preassigned)
 &rst
  ixpk= 20, iat= 865, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB2          61 THR  HN          5.00    (#     21:10   Preassigned)
 &rst
  ixpk= 21, iat= 800, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          61 THR  HN          5.00    (#     22:10   Preassigned)
 &rst
  ixpk= 22, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           61 THR  HN          3.30    (#     23:10   Preassigned)
 &rst
  ixpk= 23, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG2          61 THR  HN          5.00    (#     24:10   Preassigned)
 &rst
  ixpk= 24, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   61 THR  HG21         61 THR  HN          5.00    (#     25:10   Preassigned)
 &rst
  ixpk= 25, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   39 GLN  HB2          39 GLN  HE21        6.00    (#     50:10   Preassigned)
 &rst
  ixpk= 50, iat= 528, 536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GLY  HN           26 THR  HN          6.00    (#     58:10   Preassigned)
 &rst
  ixpk= 58, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 THR  HA           26 THR  HN          3.30    (#     60:10   Preassigned)
 &rst
  ixpk= 60, iat= 360, 358, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   25 GLY  HA1          26 THR  HN          5.00    (#     61:10   Preassigned)
 &rst
  ixpk= 61, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HB           26 THR  HN          5.00    (#     62:10   Preassigned)
 &rst
  ixpk= 62, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          26 THR  HN          5.00    (#     63:10   Preassigned)
 &rst
  ixpk= 63, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HG21         26 THR  HN          5.00    (#     64:10   Preassigned)
 &rst
  ixpk= 64, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   40 VAL  HA           40 VAL  HN          5.00    (#     65:10   Preassigned)
 &rst
  ixpk= 65, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA1          25 GLY  HN          6.00    (#     67:10   Preassigned)
 &rst
  ixpk= 67, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 353, 354,
 &end
#
#   25 GLY  HA2          25 GLY  HN          6.00    (#     68:10   Preassigned)
 &rst
  ixpk= 68, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 353, 354,
 &end
#
#   41 GLN  HN           40 VAL  HN          6.00    (#     69:10   Preassigned)
 &rst
  ixpk= 69, iat= 557, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 CYS  HN           40 VAL  HN          5.00    (#     70:10   Preassigned)
 &rst
  ixpk= 70, iat= 755, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           40 VAL  HN          3.30    (#     71:10   Preassigned)
 &rst
  ixpk= 71, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   52 THR  HA           40 VAL  HN          5.00    (#     73:10   Preassigned)
 &rst
  ixpk= 73, iat= 743, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HB3          40 VAL  HN          5.00    (#     75:10   Preassigned)
 &rst
  ixpk= 75, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HG1          40 VAL  HN          5.00    (#     76:10   Preassigned)
 &rst
  ixpk= 76, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   39 GLN  HG2          40 VAL  HN          5.00    (#     77:10   Preassigned)
 &rst
  ixpk= 77, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   40 VAL  MG1          40 VAL  HN          5.00    (#     78:10   Preassigned)
 &rst
  ixpk= 78, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HN          5.00    (#     79:10   Preassigned)
 &rst
  ixpk= 79, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   22 ALA  HN           21 GLY  HN          5.00    (#     80:10   Preassigned)
 &rst
  ixpk= 80, iat= 305, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           21 GLY  HN          5.00    (#     81:10   Preassigned)
 &rst
  ixpk= 81, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           21 GLY  HN          6.00    (#     82:10   Preassigned)
 &rst
  ixpk= 82, iat= 255, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 SER  HA           21 GLY  HN          5.00    (#     84:10   Preassigned)
 &rst
  ixpk= 84, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA1          21 GLY  HN          5.00    (#     86:10   Preassigned)
 &rst
  ixpk= 86, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB3          21 GLY  HN          5.00    (#     87:10   Preassigned)
 &rst
  ixpk= 87, iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA2          21 GLY  HN          5.00    (#     88:10   Preassigned)
 &rst
  ixpk= 88, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB2          21 GLY  HN          5.00    (#     89:10   Preassigned)
 &rst
  ixpk= 89, iat= 257, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          21 GLY  HN          6.00    (#     90:10   Preassigned)
 &rst
  ixpk= 90, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   69 LYS  HN           70 CYS  HN          5.00    (#     91:10   Preassigned)
 &rst
  ixpk= 91, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HN           70 CYS  HN          6.00    (#     92:10   Preassigned)
 &rst
  ixpk= 92, iat=1034,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYS  HA           70 CYS  HN          5.00    (#     93:10   Preassigned)
 &rst
  ixpk= 93, iat=1009,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           70 CYS  HN          5.00    (#     94:10   Preassigned)
 &rst
  ixpk= 94, iat=1019,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           70 CYS  HN          5.00    (#     95:10   Preassigned)
 &rst
  ixpk= 95, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB3          70 CYS  HN          5.00    (#     96:10   Preassigned)
 &rst
  ixpk= 96, iat=1012,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          70 CYS  HN          5.00    (#     97:10   Preassigned)
 &rst
  ixpk= 97, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          70 CYS  HN          5.00    (#     98:10   Preassigned)
 &rst
  ixpk= 98, iat=1011,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          70 CYS  HN          6.00    (#     99:10   Preassigned)
 &rst
  ixpk= 99, iat= 965,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 LYS  HB2          70 CYS  HN          5.00    (#    100:10   Preassigned)
 &rst
  ixpk= 100, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          70 CYS  HN          5.00    (#    101:10   Preassigned)
 &rst
  ixpk= 101, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG1          70 CYS  HN          5.00    (#    102:10   Preassigned)
 &rst
  ixpk= 102, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   76 VAL  MGX          70 CYS  HN          5.00    (#    103:10   Preassigned)
 &rst
  ixpk= 103, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   39 GLN  HN           38 GLY  HN          5.00    (#    107:10   Preassigned)
 &rst
  ixpk= 107, iat= 524, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HN           38 GLY  HN          5.00    (#    108:10   Preassigned)
 &rst
  ixpk= 108, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           38 GLY  HN          6.00    (#    109:10   Preassigned)
 &rst
  ixpk= 109, iat= 499, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HA           38 GLY  HN          5.00    (#    111:10   Preassigned)
 &rst
  ixpk= 111, iat= 508, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLY  HA1          38 GLY  HN          5.00    (#    112:10   Preassigned)
 &rst
  ixpk= 112, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 519, 520,
 &end
#
#   38 GLY  HA2          38 GLY  HN          3.30    (#    113:10   Preassigned)
 &rst
  ixpk= 113, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 519, 520,
 &end
#
#   34 CYS  HB2          38 GLY  HN          5.00    (#    115:10   Preassigned)
 &rst
  ixpk= 115, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HN           56 CYS  HN          5.00    (#    117:10   Preassigned)
 &rst
  ixpk= 117, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HN           56 CYS  HN          3.30    (#    119:10   Preassigned)
 &rst
  ixpk= 119, iat= 806, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   55 HIS  HA           56 CYS  HN          5.00    (#    121:10   Preassigned)
 &rst
  ixpk= 121, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           56 CYS  HN          5.00    (#    122:10   Preassigned)
 &rst
  ixpk= 122, iat= 808, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          56 CYS  HN          5.00    (#    123:10   Preassigned)
 &rst
  ixpk= 123, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   53 CYS  HB1          56 CYS  HN          5.00    (#    124:10   Preassigned)
 &rst
  ixpk= 124, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB2          56 CYS  HN          5.00    (#    125:10   Preassigned)
 &rst
  ixpk= 125, iat= 783, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          56 CYS  HN          5.00    (#    126:10   Preassigned)
 &rst
  ixpk= 126, iat= 801, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HB2          56 CYS  HN          6.00    (#    127:10   Preassigned)
 &rst
  ixpk= 127, iat= 810, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 CYS  HB2          56 CYS  HN          6.00    (#    128:10   Preassigned)
 &rst
  ixpk= 128, iat= 759, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 LEU  HD21         56 CYS  HN          6.00    (#    129:10   Preassigned)
 &rst
  ixpk= 129, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 888, 889, 890,
 &end
#
#   12 GLU  HN           76 VAL  HN          5.00    (#    130:10   Preassigned)
 &rst
  ixpk= 130, iat= 185,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HN           76 VAL  HN          6.00    (#    131:10   Preassigned)
 &rst
  ixpk= 131, iat=1105,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HN           76 VAL  HN          6.00    (#    132:10   Preassigned)
 &rst
  ixpk= 132, iat= 215,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           76 VAL  HN          3.30    (#    133:10   Preassigned)
 &rst
  ixpk= 133, iat=1067,1089, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HA           76 VAL  HN          6.00    (#    134:10   Preassigned)
 &rst
  ixpk= 134, iat= 168,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           76 VAL  HN          5.00    (#    135:10   Preassigned)
 &rst
  ixpk= 135, iat=1091,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HA           76 VAL  HN          5.00    (#    136:10   Preassigned)
 &rst
  ixpk= 136, iat= 202,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HD1          76 VAL  HN          6.00    (#    137:10   Preassigned)
 &rst
  ixpk= 137, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#   76 VAL  HB           76 VAL  HN          5.00    (#    138:10   Preassigned)
 &rst
  ixpk= 138, iat=1093,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB2          76 VAL  HN          5.00    (#    139:10   Preassigned)
 &rst
  ixpk= 139, iat=1069,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HG1          76 VAL  HN          5.00    (#    140:10   Preassigned)
 &rst
  ixpk= 140, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1072,1073,
 &end
#
#   11 LEU  HB3          76 VAL  HN          6.00    (#    141:10   Preassigned)
 &rst
  ixpk= 141, iat= 171,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  MGY          76 VAL  HN          5.00    (#    142:10   Preassigned)
 &rst
  ixpk= 142, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   16 VAL  HN           17 CYS  HN          3.30    (#    143:10   Preassigned)
 &rst
  ixpk= 143, iat= 237, 253, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HN           17 CYS  HN          6.00    (#    144:10   Preassigned)
 &rst
  ixpk= 144, iat= 225, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 GLY  HN           17 CYS  HN          6.00    (#    145:10   Preassigned)
 &rst
  ixpk= 145, iat= 280, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           17 CYS  HN          6.00    (#    146:10   Preassigned)
 &rst
  ixpk= 146, iat= 265, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HA           17 CYS  HN          5.00    (#    147:10   Preassigned)
 &rst
  ixpk= 147, iat= 239, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          17 CYS  HN          5.00    (#    148:10   Preassigned)
 &rst
  ixpk= 148, iat= 258, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB3          17 CYS  HN          6.00    (#    149:10   Preassigned)
 &rst
  ixpk= 149, iat= 220, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HB2          17 CYS  HN          5.00    (#    150:10   Preassigned)
 &rst
  ixpk= 150, iat= 257, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          17 CYS  HN          6.00    (#    151:10   Preassigned)
 &rst
  ixpk= 151, iat= 219, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           17 CYS  HN          5.00    (#    152:10   Preassigned)
 &rst
  ixpk= 152, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  MG1          17 CYS  HN          5.00    (#    153:10   Preassigned)
 &rst
  ixpk= 153, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 243, 244, 245,
 &end
#
#   11 LEU  HN           10 THR  HN          6.00    (#    154:10   Preassigned)
 &rst
  ixpk= 154, iat= 166, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 PRO  HA           10 THR  HN          3.30    (#    156:10   Preassigned)
 &rst
  ixpk= 156, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 THR  HA           10 THR  HN          5.00    (#    157:10   Preassigned)
 &rst
  ixpk= 157, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           10 THR  HN          5.00    (#    158:10   Preassigned)
 &rst
  ixpk= 158, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HB1          10 THR  HN          5.00    (#    159:10   Preassigned)
 &rst
  ixpk= 159, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#    9 PRO  HB2          10 THR  HN          5.00    (#    160:10   Preassigned)
 &rst
  ixpk= 160, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#   10 THR  HG21         10 THR  HN          5.00    (#    161:10   Preassigned)
 &rst
  ixpk= 161, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 158, 159, 160,
 &end
#
#   38 GLY  HN           37 SER  HN          5.00    (#    162:10   Preassigned)
 &rst
  ixpk= 162, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           37 SER  HN          5.00    (#    163:10   Preassigned)
 &rst
  ixpk= 163, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HN           37 SER  HN          6.00    (#    164:10   Preassigned)
 &rst
  ixpk= 164, iat= 524, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLY  HA1          37 SER  HN          5.00    (#    167:10   Preassigned)
 &rst
  ixpk= 167, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   36 GLY  HA2          37 SER  HN          5.00    (#    168:10   Preassigned)
 &rst
  ixpk= 168, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   37 SER  HA           37 SER  HN          5.00    (#    169:10   Preassigned)
 &rst
  ixpk= 169, iat= 508, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HB1          37 SER  HN          3.30    (#    170:10   Preassigned)
 &rst
  ixpk= 170, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 510, 511,
 &end
#
#   34 CYS  HB2          37 SER  HN          6.00    (#    172:10   Preassigned)
 &rst
  ixpk= 172, iat= 476, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 GLY  HN           75 ARG  HN          5.00    (#    173:10   Preassigned)
 &rst
  ixpk= 173, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           75 ARG  HN          6.00    (#    174:10   Preassigned)
 &rst
  ixpk= 174, iat=1089,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 HIS  HN           75 ARG  HN          6.00    (#    175:10   Preassigned)
 &rst
  ixpk= 175, iat=1041,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           75 ARG  HN          5.00    (#    176:10   Preassigned)
 &rst
  ixpk= 176, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HA           75 ARG  HN          5.00    (#    178:10   Preassigned)
 &rst
  ixpk= 178, iat=1043,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA1          75 ARG  HN          5.00    (#    179:10   Preassigned)
 &rst
  ixpk= 179, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   73 HIS  QB           75 ARG  HN          5.00    (#    180:10   Preassigned)
 &rst
  ixpk= 180, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   73 HIS  QB           75 ARG  HN          5.00    (#    181:10   Preassigned)
 &rst
  ixpk= 181, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB2          75 ARG  HN          5.00    (#    182:10   Preassigned)
 &rst
  ixpk= 182, iat=1011,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          75 ARG  HN          6.00    (#    183:10   Preassigned)
 &rst
  ixpk= 183, iat= 219,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HB2          75 ARG  HN          5.00    (#    184:10   Preassigned)
 &rst
  ixpk= 184, iat=1069,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB3          75 ARG  HN          5.00    (#    185:10   Preassigned)
 &rst
  ixpk= 185, iat=1070,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          75 ARG  HN          6.00    (#    186:10   Preassigned)
 &rst
  ixpk= 186, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   33 THR  HN           34 CYS  HN          5.00    (#    187:10   Preassigned)
 &rst
  ixpk= 187, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           34 CYS  HN          6.00    (#    188:10   Preassigned)
 &rst
  ixpk= 188, iat= 499, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HA           34 CYS  HN          5.00    (#    189:10   Preassigned)
 &rst
  ixpk= 189, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HA           34 CYS  HN          5.00    (#    190:10   Preassigned)
 &rst
  ixpk= 190, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           34 CYS  HN          5.00    (#    191:10   Preassigned)
 &rst
  ixpk= 191, iat= 462, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HA           34 CYS  HN          5.00    (#    192:10   Preassigned)
 &rst
  ixpk= 192, iat= 460, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB3          34 CYS  HN          5.00    (#    193:10   Preassigned)
 &rst
  ixpk= 193, iat= 477, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          34 CYS  HN          5.00    (#    195:10   Preassigned)
 &rst
  ixpk= 195, iat= 439, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          34 CYS  HN          5.00    (#    196:10   Preassigned)
 &rst
  ixpk= 196, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          34 CYS  HN          6.00    (#    197:10   Preassigned)
 &rst
  ixpk= 197, iat= 438, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HG21         34 CYS  HN          5.00    (#    198:10   Preassigned)
 &rst
  ixpk= 198, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   40 VAL  MG1          34 CYS  HN          6.00    (#    199:10   Preassigned)
 &rst
  ixpk= 199, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   21 GLY  HN           20 SER  HN          5.00    (#    200:10   Preassigned)
 &rst
  ixpk= 200, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           20 SER  HN          5.00    (#    201:10   Preassigned)
 &rst
  ixpk= 201, iat= 280, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           20 SER  HN          5.00    (#    202:10   Preassigned)
 &rst
  ixpk= 202, iat= 253, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           20 SER  HN          5.00    (#    204:10   Preassigned)
 &rst
  ixpk= 204, iat= 255, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA1          20 SER  HN          5.00    (#    205:10   Preassigned)
 &rst
  ixpk= 205, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 282, 283,
 &end
#
#   20 SER  HA           20 SER  HN          5.00    (#    206:10   Preassigned)
 &rst
  ixpk= 206, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HB3          20 SER  HN          5.00    (#    207:10   Preassigned)
 &rst
  ixpk= 207, iat= 292, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HB2          20 SER  HN          5.00    (#    208:10   Preassigned)
 &rst
  ixpk= 208, iat= 291, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          20 SER  HN          5.00    (#    209:10   Preassigned)
 &rst
  ixpk= 209, iat= 258, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB+          20 SER  HN          5.00    (#    210:10   Preassigned)
 &rst
  ixpk= 210, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   17 CYS  HB2          20 SER  HN          6.00    (#    211:10   Preassigned)
 &rst
  ixpk= 211, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 THR  HN           27 GLN  HN          6.00    (#    213:10   Preassigned)
 &rst
  ixpk= 213, iat= 358, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 GLN  HA           27 GLN  HN          5.00    (#    214:10   Preassigned)
 &rst
  ixpk= 214, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HA           27 GLN  HN          3.30    (#    215:10   Preassigned)
 &rst
  ixpk= 215, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   26 THR  HB           27 GLN  HN          5.00    (#    216:10   Preassigned)
 &rst
  ixpk= 216, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HG1          27 GLN  HN          5.00    (#    218:10   Preassigned)
 &rst
  ixpk= 218, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 380,
 &end
#
#   27 GLN  HB2          27 GLN  HN          5.00    (#    219:10   Preassigned)
 &rst
  ixpk= 219, iat= 376, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HB2          27 GLN  HN          5.00    (#    220:10   Preassigned)
 &rst
  ixpk= 220, iat= 376, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HG21         27 GLN  HN          5.00    (#    221:10   Preassigned)
 &rst
  ixpk= 221, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   44 GLN  HN           47 PHE  HN          5.00    (#    222:10   Preassigned)
 &rst
  ixpk= 222, iat= 617, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HN           47 PHE  HN          6.00    (#    223:10   Preassigned)
 &rst
  ixpk= 223, iat= 681, 661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 PHE  HD1          47 PHE  HN          5.00    (#    224:10   Preassigned)
 &rst
  ixpk= 224, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 677,
 &end
#
#   46 PHE  HA           47 PHE  HN          5.00    (#    226:10   Preassigned)
 &rst
  ixpk= 226, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          47 PHE  HN          5.00    (#    227:10   Preassigned)
 &rst
  ixpk= 227, iat= 666, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HB+          47 PHE  HN          5.00    (#    228:10   Preassigned)
 &rst
  ixpk= 228, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   46 PHE  HB-          47 PHE  HN          5.00    (#    229:10   Preassigned)
 &rst
  ixpk= 229, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   55 HIS  HN           57 GLN  HN          5.00    (#    230:10   Preassigned)
 &rst
  ixpk= 230, iat= 779, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           57 GLN  HN          5.00    (#    231:10   Preassigned)
 &rst
  ixpk= 231, iat= 823, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           57 GLN  HN          5.00    (#    232:10   Preassigned)
 &rst
  ixpk= 232, iat= 796, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           57 GLN  HN          5.00    (#    234:10   Preassigned)
 &rst
  ixpk= 234, iat= 775, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           57 GLN  HN          2.70    (#    235:10   Preassigned)
 &rst
  ixpk= 235, iat= 808, 806, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   55 HIS  HB1          57 GLN  HN          6.00    (#    236:10   Preassigned)
 &rst
  ixpk= 236, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 783, 784,
 &end
#
#   53 CYS  HB1          57 GLN  HN          6.00    (#    237:10   Preassigned)
 &rst
  ixpk= 237, iat= 760, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GLN  HG2          57 GLN  HN          5.00    (#    238:10   Preassigned)
 &rst
  ixpk= 238, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 813, 814,
 &end
#
#   52 THR  HG21         57 GLN  HN          6.00    (#    239:10   Preassigned)
 &rst
  ixpk= 239, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 747, 748, 749,
 &end
#
#   74 GLY  HN           73 HIS  HN          5.00    (#    240:10   Preassigned)
 &rst
  ixpk= 240, iat=1058,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HN           73 HIS  HN          5.00    (#    241:10   Preassigned)
 &rst
  ixpk= 241, iat=1034,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HN          5.00    (#    242:10   Preassigned)
 &rst
  ixpk= 242, iat=1054,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           73 HIS  HN          6.00    (#    243:10   Preassigned)
 &rst
  ixpk= 243, iat=1065,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 GLY  HA1          73 HIS  HN          5.00    (#    244:10   Preassigned)
 &rst
  ixpk= 244, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  HA           73 HIS  HN          3.30    (#    245:10   Preassigned)
 &rst
  ixpk= 245, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   72 GLY  HA2          73 HIS  HN          5.00    (#    246:10   Preassigned)
 &rst
  ixpk= 246, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  QB           73 HIS  HN          3.30    (#    248:10   Preassigned)
 &rst
  ixpk= 248, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1045,1046,
 &end
#
#   73 HIS  QB           73 HIS  HN          5.00    (#    249:10   Preassigned)
 &rst
  ixpk= 249, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB2          73 HIS  HN          6.00    (#    250:10   Preassigned)
 &rst
  ixpk= 250, iat=1011,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 LYS  HN           65 ASP  HN          5.00    (#    251:10   Preassigned)
 &rst
  ixpk= 251, iat= 913, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HA           65 ASP  HN          5.00    (#    253:10   Preassigned)
 &rst
  ixpk= 253, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HA           65 ASP  HN          5.00    (#    255:10   Preassigned)
 &rst
  ixpk= 255, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           65 ASP  HN          5.00    (#    256:10   Preassigned)
 &rst
  ixpk= 256, iat= 896, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB2          65 ASP  HN          5.00    (#    259:10   Preassigned)
 &rst
  ixpk= 259, iat= 939, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB3          65 ASP  HN          5.00    (#    260:10   Preassigned)
 &rst
  ixpk= 260, iat= 940, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HB+          65 ASP  HN          5.00    (#    261:10   Preassigned)
 &rst
  ixpk= 261, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 917, 918,
 &end
#
#   63 ILE  HG11         65 ASP  HN          6.00    (#    262:10   Preassigned)
 &rst
  ixpk= 262, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 904, 905,
 &end
#
#   22 ALA  HB1          65 ASP  HN          6.00    (#    264:10   Preassigned)
 &rst
  ixpk= 264, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HG21         65 ASP  HN          5.00    (#    265:10   Preassigned)
 &rst
  ixpk= 265, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   53 CYS  HN           52 THR  HN          6.00    (#    266:10   Preassigned)
 &rst
  ixpk= 266, iat= 755, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THR  HA           52 THR  HN          5.00    (#    267:10   Preassigned)
 &rst
  ixpk= 267, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HB           52 THR  HN          3.30    (#    268:10   Preassigned)
 &rst
  ixpk= 268, iat= 745, 741, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   51 GLN  HG1          52 THR  HN          5.00    (#    269:10   Preassigned)
 &rst
  ixpk= 269, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#   51 GLN  HB3          52 THR  HN          5.00    (#    270:10   Preassigned)
 &rst
  ixpk= 270, iat= 729, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HB2          52 THR  HN          5.00    (#    271:10   Preassigned)
 &rst
  ixpk= 271, iat= 728, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         52 THR  HN          5.00    (#    272:10   Preassigned)
 &rst
  ixpk= 272, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   48 ALA  HN           49 VAL  HN          5.00    (#    275:10   Preassigned)
 &rst
  ixpk= 275, iat= 681, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ARG  HA           49 VAL  HN          5.00    (#    276:10   Preassigned)
 &rst
  ixpk= 276, iat= 595, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 VAL  HA           49 VAL  HN          5.00    (#    277:10   Preassigned)
 &rst
  ixpk= 277, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          49 VAL  HN          5.00    (#    279:10   Preassigned)
 &rst
  ixpk= 279, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   49 VAL  MG2          49 VAL  HN          5.00    (#    280:10   Preassigned)
 &rst
  ixpk= 280, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#   29 GLN  HN           62 LEU  HN          5.00    (#    281:10   Preassigned)
 &rst
  ixpk= 281, iat= 403, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           62 LEU  HN          5.00    (#    282:10   Preassigned)
 &rst
  ixpk= 282, iat= 434, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           62 LEU  HN          3.30    (#    283:10   Preassigned)
 &rst
  ixpk= 283, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HA           62 LEU  HN          5.00    (#    284:10   Preassigned)
 &rst
  ixpk= 284, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HB           62 LEU  HN          3.30    (#    286:10   Preassigned)
 &rst
  ixpk= 286, iat= 865, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 GLN  HB3          62 LEU  HN          5.00    (#    287:10   Preassigned)
 &rst
  ixpk= 287, iat= 408, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB2          62 LEU  HN          6.00    (#    288:10   Preassigned)
 &rst
  ixpk= 288, iat= 407, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 PRO  HB2          62 LEU  HN          6.00    (#    289:10   Preassigned)
 &rst
  ixpk= 289, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 396, 397,
 &end
#
#   62 LEU  HB3          62 LEU  HN          5.00    (#    290:10   Preassigned)
 &rst
  ixpk= 290, iat= 880, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HG           62 LEU  HN          5.00    (#    291:10   Preassigned)
 &rst
  ixpk= 291, iat= 882, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         62 LEU  HN          5.00    (#    292:10   Preassigned)
 &rst
  ixpk= 292, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   62 LEU  HD21         62 LEU  HN          5.00    (#    293:10   Preassigned)
 &rst
  ixpk= 293, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   16 VAL  HN           18 HIS  HN          5.00    (#    294:10   Preassigned)
 &rst
  ixpk= 294, iat= 237, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           18 HIS  HN          5.00    (#    295:10   Preassigned)
 &rst
  ixpk= 295, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           18 HIS  HN          6.00    (#    296:10   Preassigned)
 &rst
  ixpk= 296, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           18 HIS  HN          2.70    (#    297:10   Preassigned)
 &rst
  ixpk= 297, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   15 ASP  HA           18 HIS  HN          5.00    (#    298:10   Preassigned)
 &rst
  ixpk= 298, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB+          18 HIS  HN          5.00    (#    299:10   Preassigned)
 &rst
  ixpk= 299, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   14 CYS  HB3          18 HIS  HN          6.00    (#    300:10   Preassigned)
 &rst
  ixpk= 300, iat= 220, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HB2          18 HIS  HN          6.00    (#    301:10   Preassigned)
 &rst
  ixpk= 301, iat= 257, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           18 HIS  HN          6.00    (#    303:10   Preassigned)
 &rst
  ixpk= 303, iat= 241, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  MG1          18 HIS  HN          6.00    (#    304:10   Preassigned)
 &rst
  ixpk= 304, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 &end
#
#   69 LYS  HN           71 HIS  HN          5.00    (#    305:10   Preassigned)
 &rst
  ixpk= 305, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HN           71 HIS  HN          5.00    (#    306:10   Preassigned)
 &rst
  ixpk= 306, iat=1034,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           71 HIS  HN          5.00    (#    307:10   Preassigned)
 &rst
  ixpk= 307, iat=1009,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           71 HIS  HN          3.30    (#    308:10   Preassigned)
 &rst
  ixpk= 308, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   71 HIS  HB+          71 HIS  HN          5.00    (#    309:10   Preassigned)
 &rst
  ixpk= 309, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1021,1022,
 &end
#
#   67 CYS  HB3          71 HIS  HN          6.00    (#    310:10   Preassigned)
 &rst
  ixpk= 310, iat= 966,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 LYS  HB3          71 HIS  HN          6.00    (#    312:10   Preassigned)
 &rst
  ixpk= 312, iat= 990,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HN           35 HIS  HN          5.00    (#    313:10   Preassigned)
 &rst
  ixpk= 313, iat= 458, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HN          5.00    (#    314:10   Preassigned)
 &rst
  ixpk= 314, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           35 HIS  HN          5.00    (#    316:10   Preassigned)
 &rst
  ixpk= 316, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA           35 HIS  HN          2.70    (#    317:10   Preassigned)
 &rst
  ixpk= 317, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   33 THR  HB           35 HIS  HN          6.00    (#    318:10   Preassigned)
 &rst
  ixpk= 318, iat= 462, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 HIS  HB2          35 HIS  HN          5.00    (#    319:10   Preassigned)
 &rst
  ixpk= 319, iat= 486, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          35 HIS  HN          6.00    (#    320:10   Preassigned)
 &rst
  ixpk= 320, iat= 439, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 THR  HG21         35 HIS  HN          5.00    (#    322:10   Preassigned)
 &rst
  ixpk= 322, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   38 GLY  HN           39 GLN  HN          5.00    (#    323:10   Preassigned)
 &rst
  ixpk= 323, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  HN           39 GLN  HN          6.00    (#    324:10   Preassigned)
 &rst
  ixpk= 324, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HN           39 GLN  HN          6.00    (#    325:10   Preassigned)
 &rst
  ixpk= 325, iat= 506, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLN  HA           39 GLN  HN          5.00    (#    326:10   Preassigned)
 &rst
  ixpk= 326, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HA           39 GLN  HN          6.00    (#    328:10   Preassigned)
 &rst
  ixpk= 328, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 GLY  HA1          39 GLN  HN          5.00    (#    329:10   Preassigned)
 &rst
  ixpk= 329, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 519, 520,
 &end
#
#   38 GLY  HA2          39 GLN  HN          5.00    (#    330:10   Preassigned)
 &rst
  ixpk= 330, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 519, 520,
 &end
#
#   34 CYS  HB2          39 GLN  HN          5.00    (#    331:10   Preassigned)
 &rst
  ixpk= 331, iat= 476, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HB3          39 GLN  HN          5.00    (#    332:10   Preassigned)
 &rst
  ixpk= 332, iat= 529, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HG1          39 GLN  HN          5.00    (#    333:10   Preassigned)
 &rst
  ixpk= 333, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   39 GLN  HG2          39 GLN  HN          5.00    (#    334:10   Preassigned)
 &rst
  ixpk= 334, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   40 VAL  HN           41 GLN  HN          6.00    (#    335:10   Preassigned)
 &rst
  ixpk= 335, iat= 541, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 VAL  HA           41 GLN  HN          3.30    (#    337:10   Preassigned)
 &rst
  ixpk= 337, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  HG2          41 GLN  HN          5.00    (#    338:10   Preassigned)
 &rst
  ixpk= 338, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   40 VAL  HB           41 GLN  HN          3.30    (#    339:10   Preassigned)
 &rst
  ixpk= 339, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  QB           41 GLN  HN          3.30    (#    340:10   Preassigned)
 &rst
  ixpk= 340, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 561, 562,
 &end
#
#   40 VAL  MG1          41 GLN  HN          5.00    (#    341:10   Preassigned)
 &rst
  ixpk= 341, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          41 GLN  HN          5.00    (#    342:10   Preassigned)
 &rst
  ixpk= 342, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   34 CYS  HN           33 THR  HN          3.30    (#    343:10   Preassigned)
 &rst
  ixpk= 343, iat= 472, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   32 PRO  HA           33 THR  HN          5.00    (#    345:10   Preassigned)
 &rst
  ixpk= 345, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           33 THR  HN          5.00    (#    346:10   Preassigned)
 &rst
  ixpk= 346, iat= 462, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HA           33 THR  HN          5.00    (#    347:10   Preassigned)
 &rst
  ixpk= 347, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HD1          33 THR  HN          5.00    (#    348:10   Preassigned)
 &rst
  ixpk= 348, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   55 HIS  HB1          33 THR  HN          6.00    (#    349:10   Preassigned)
 &rst
  ixpk= 349, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 783, 784,
 &end
#
#   31 CYS  HB3          33 THR  HN          6.00    (#    350:10   Preassigned)
 &rst
  ixpk= 350, iat= 439, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 PRO  HB2          33 THR  HN          5.00    (#    352:10   Preassigned)
 &rst
  ixpk= 352, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 451, 452,
 &end
#
#   33 THR  HG21         33 THR  HN          5.00    (#    353:10   Preassigned)
 &rst
  ixpk= 353, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   76 VAL  HN           12 GLU  HN          5.00    (#    355:10   Preassigned)
 &rst
  ixpk= 355, iat=1089, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HN           12 GLU  HN          5.00    (#    356:10   Preassigned)
 &rst
  ixpk= 356, iat= 200, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HN           12 GLU  HN          6.00    (#    357:10   Preassigned)
 &rst
  ixpk= 357, iat= 166, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           12 GLU  HN          6.00    (#    358:10   Preassigned)
 &rst
  ixpk= 358, iat=1067, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 GLU  HA           12 GLU  HN          5.00    (#    360:10   Preassigned)
 &rst
  ixpk= 360, iat= 187, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HA           12 GLU  HN          5.00    (#    361:10   Preassigned)
 &rst
  ixpk= 361, iat=1107, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLU  HG1          12 GLU  HN          5.00    (#    362:10   Preassigned)
 &rst
  ixpk= 362, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 192, 193,
 &end
#
#   12 GLU  HB1          12 GLU  HN          5.00    (#    363:10   Preassigned)
 &rst
  ixpk= 363, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 189, 190,
 &end
#
#   78 ARG  HB+          12 GLU  HN          5.00    (#    364:10   Preassigned)
 &rst
  ixpk= 364, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HB2          12 GLU  HN          5.00    (#    365:10   Preassigned)
 &rst
  ixpk= 365, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HB3          12 GLU  HN          5.00    (#    367:10   Preassigned)
 &rst
  ixpk= 367, iat= 171, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HD11         12 GLU  HN          5.00    (#    368:10   Preassigned)
 &rst
  ixpk= 368, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 175, 176, 177,
 &end
#
#   11 LEU  HD21         12 GLU  HN          5.00    (#    369:10   Preassigned)
 &rst
  ixpk= 369, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   60 GLY  HN           59 ARG  HN          5.00    (#    370:10   Preassigned)
 &rst
  ixpk= 370, iat= 854, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           59 ARG  HN          5.00    (#    371:10   Preassigned)
 &rst
  ixpk= 371, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HN           59 ARG  HN          6.00    (#    372:10   Preassigned)
 &rst
  ixpk= 372, iat= 861, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 GLY  HA1          59 ARG  HN          5.00    (#    373:10   Preassigned)
 &rst
  ixpk= 373, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#   59 ARG  HA           59 ARG  HN          5.00    (#    374:10   Preassigned)
 &rst
  ixpk= 374, iat= 832, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  HD1          59 ARG  HN          5.00    (#    375:10   Preassigned)
 &rst
  ixpk= 375, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 840, 841,
 &end
#
#   57 GLN  HB2          59 ARG  HN          6.00    (#    376:10   Preassigned)
 &rst
  ixpk= 376, iat= 810, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  QB           59 ARG  HN          3.30    (#    377:10   Preassigned)
 &rst
  ixpk= 377, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HN          5.00    (#    378:10   Preassigned)
 &rst
  ixpk= 378, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          59 ARG  HN          5.00    (#    379:10   Preassigned)
 &rst
  ixpk= 379, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   52 THR  HG21         59 ARG  HN          6.00    (#    380:10   Preassigned)
 &rst
  ixpk= 380, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 747, 748, 749,
 &end
#
#   62 LEU  HN           29 GLN  HN          5.00    (#    381:10   Preassigned)
 &rst
  ixpk= 381, iat= 875, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           29 GLN  HN          6.00    (#    383:10   Preassigned)
 &rst
  ixpk= 383, iat= 863, 403, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 GLN  HA           29 GLN  HN          5.00    (#    384:10   Preassigned)
 &rst
  ixpk= 384, iat= 405, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           29 GLN  HN          3.30    (#    385:10   Preassigned)
 &rst
  ixpk= 385, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   63 ILE  HA           29 GLN  HN          6.00    (#    386:10   Preassigned)
 &rst
  ixpk= 386, iat= 896, 403, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 PRO  HD1          29 GLN  HN          5.00    (#    387:10   Preassigned)
 &rst
  ixpk= 387, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   29 GLN  HG1          29 GLN  HN          5.00    (#    388:10   Preassigned)
 &rst
  ixpk= 388, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#   29 GLN  HB3          29 GLN  HN          5.00    (#    389:10   Preassigned)
 &rst
  ixpk= 389, iat= 408, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB2          29 GLN  HN          5.00    (#    390:10   Preassigned)
 &rst
  ixpk= 390, iat= 407, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HB2          29 GLN  HN          5.00    (#    391:10   Preassigned)
 &rst
  ixpk= 391, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 396, 397,
 &end
#
#   62 LEU  HB3          29 GLN  HN          5.00    (#    392:10   Preassigned)
 &rst
  ixpk= 392, iat= 880, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         29 GLN  HN          6.00    (#    393:10   Preassigned)
 &rst
  ixpk= 393, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 867, 868, 869,
 &end
#
#   63 ILE  HD11         29 GLN  HN          6.00    (#    394:10   Preassigned)
 &rst
  ixpk= 394, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   52 THR  HN           51 GLN  HN          5.00    (#    395:10   Preassigned)
 &rst
  ixpk= 395, iat= 741, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           51 GLN  HN          6.00    (#    396:10   Preassigned)
 &rst
  ixpk= 396, iat= 526, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 GLN  HA           51 GLN  HN          3.30    (#    397:10   Preassigned)
 &rst
  ixpk= 397, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   51 GLN  HG1          51 GLN  HN          5.00    (#    398:10   Preassigned)
 &rst
  ixpk= 398, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#   40 VAL  MG1          51 GLN  HN          6.00    (#    401:10   Preassigned)
 &rst
  ixpk= 401, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          51 GLN  HN          5.00    (#    402:10   Preassigned)
 &rst
  ixpk= 402, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   29 GLN  HN           30 THR  HN          6.00    (#    403:10   Preassigned)
 &rst
  ixpk= 403, iat= 403, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 THR  HA           30 THR  HN          5.00    (#    406:10   Preassigned)
 &rst
  ixpk= 406, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB3          30 THR  HN          5.00    (#    407:10   Preassigned)
 &rst
  ixpk= 407, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB2          30 THR  HN          6.00    (#    408:10   Preassigned)
 &rst
  ixpk= 408, iat= 407, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 THR  HG21         30 THR  HN          6.00    (#    409:10   Preassigned)
 &rst
  ixpk= 409, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   14 CYS  HN           13 GLU  HN          6.00    (#    412:10   Preassigned)
 &rst
  ixpk= 412, iat= 215, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 GLU  HA           13 GLU  HN          3.30    (#    414:10   Preassigned)
 &rst
  ixpk= 414, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   13 GLU  HA           13 GLU  HN          5.00    (#    415:10   Preassigned)
 &rst
  ixpk= 415, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HG1          13 GLU  HN          5.00    (#    416:10   Preassigned)
 &rst
  ixpk= 416, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 207, 208,
 &end
#
#   12 GLU  HB1          13 GLU  HN          3.30    (#    417:10   Preassigned)
 &rst
  ixpk= 417, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 189, 190,
 &end
#
#   42 MET  HN           43 ARG  HN          6.00    (#    419:10   Preassigned)
 &rst
  ixpk= 419, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 MET  HA           43 ARG  HN          5.00    (#    421:10   Preassigned)
 &rst
  ixpk= 421, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ARG  HA           43 ARG  HN          5.00    (#    422:10   Preassigned)
 &rst
  ixpk= 422, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HE1          43 ARG  HN          5.00    (#    423:10   Preassigned)
 &rst
  ixpk= 423, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 587, 588, 589,
 &end
#
#   43 ARG  HB-          43 ARG  HN          5.00    (#    424:10   Preassigned)
 &rst
  ixpk= 424, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 597, 598,
 &end
#
#   43 ARG  HG1          43 ARG  HN          6.00    (#    426:10   Preassigned)
 &rst
  ixpk= 426, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 600, 601,
 &end
#
#    4 LYS  HA            5 GLU  HN          5.00    (#    428:10   Preassigned)
 &rst
  ixpk= 428, iat=  41,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HB1           5 GLU  HN          5.00    (#    429:10   Preassigned)
 &rst
  ixpk= 429, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#   22 ALA  HA           23 LYS  HN          3.30    (#    431:10   Preassigned)
 &rst
  ixpk= 431, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   23 LYS  HA           23 LYS  HN          5.00    (#    432:10   Preassigned)
 &rst
  ixpk= 432, iat= 317, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          23 LYS  HN          6.00    (#    434:10   Preassigned)
 &rst
  ixpk= 434, iat= 258, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HB2          23 LYS  HN          6.00    (#    436:10   Preassigned)
 &rst
  ixpk= 436, iat= 257, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 LYS  QB           23 LYS  HN          3.30    (#    438:10   Preassigned)
 &rst
  ixpk= 438, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          23 LYS  HN          5.00    (#    439:10   Preassigned)
 &rst
  ixpk= 439, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#   22 ALA  HB1          23 LYS  HN          5.00    (#    440:10   Preassigned)
 &rst
  ixpk= 440, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HG21         23 LYS  HN          5.00    (#    441:10   Preassigned)
 &rst
  ixpk= 441, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   68 ASN  HN           69 LYS  HN          5.00    (#    442:10   Preassigned)
 &rst
  ixpk= 442, iat= 971, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HN           69 LYS  HN          5.00    (#    443:10   Preassigned)
 &rst
  ixpk= 443, iat=1007, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HA           69 LYS  HN          5.00    (#    445:10   Preassigned)
 &rst
  ixpk= 445, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HN          5.00    (#    446:10   Preassigned)
 &rst
  ixpk= 446, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           69 LYS  HN          6.00    (#    447:10   Preassigned)
 &rst
  ixpk= 447, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 CYS  HB3          69 LYS  HN          6.00    (#    448:10   Preassigned)
 &rst
  ixpk= 448, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ASN  HB1          69 LYS  HN          5.00    (#    449:10   Preassigned)
 &rst
  ixpk= 449, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   69 LYS  HB2          69 LYS  HN          5.00    (#    450:10   Preassigned)
 &rst
  ixpk= 450, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          69 LYS  HN          5.00    (#    451:10   Preassigned)
 &rst
  ixpk= 451, iat= 990, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG1          69 LYS  HN          6.00    (#    452:10   Preassigned)
 &rst
  ixpk= 452, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 992, 993,
 &end
#
#   17 CYS  HN           16 VAL  HN          3.30    (#    454:10   Preassigned)
 &rst
  ixpk= 454, iat= 253, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           16 VAL  HN          6.00    (#    455:10   Preassigned)
 &rst
  ixpk= 455, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HA           16 VAL  HN          6.00    (#    456:10   Preassigned)
 &rst
  ixpk= 456, iat= 217, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HA           16 VAL  HN          5.00    (#    457:10   Preassigned)
 &rst
  ixpk= 457, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB3          16 VAL  HN          6.00    (#    458:10   Preassigned)
 &rst
  ixpk= 458, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HB2          16 VAL  HN          6.00    (#    459:10   Preassigned)
 &rst
  ixpk= 459, iat= 219, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           16 VAL  HN          3.30    (#    460:10   Preassigned)
 &rst
  ixpk= 460, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   16 VAL  MG1          16 VAL  HN          5.00    (#    462:10   Preassigned)
 &rst
  ixpk= 462, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 243, 244, 245,
 &end
#
#   17 CYS  HA           16 VAL  HN          6.00    (#    463:10   Preassigned)
 &rst
  ixpk= 463, iat= 255, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           77 GLU  HN          3.30    (#    464:10   Preassigned)
 &rst
  ixpk= 464, iat=1091,1105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   77 GLU  HG1          77 GLU  HN          5.00    (#    465:10   Preassigned)
 &rst
  ixpk= 465, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   76 VAL  HB           77 GLU  HN          5.00    (#    466:10   Preassigned)
 &rst
  ixpk= 466, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          77 GLU  HN          5.00    (#    468:10   Preassigned)
 &rst
  ixpk= 468, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   49 VAL  HA           50 GLN  HN          3.30    (#    471:10   Preassigned)
 &rst
  ixpk= 471, iat= 693, 707, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   50 GLN  HB+          50 GLN  HN          5.00    (#    472:10   Preassigned)
 &rst
  ixpk= 472, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 711, 712,
 &end
#
#   50 GLN  HB-          50 GLN  HN          5.00    (#    473:10   Preassigned)
 &rst
  ixpk= 473, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 711, 712,
 &end
#
#   49 VAL  MG2          50 GLN  HN          5.00    (#    474:10   Preassigned)
 &rst
  ixpk= 474, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#    5 GLU  HA            6 ILE  HN          3.30    (#    476:10   Preassigned)
 &rst
  ixpk= 476, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    6 ILE  HA            6 ILE  HN          6.00    (#    477:10   Preassigned)
 &rst
  ixpk= 477, iat=  78,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ILE  HG11          6 ILE  HN          5.00    (#    479:10   Preassigned)
 &rst
  ixpk= 479, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    6 ILE  HG12          6 ILE  HN          5.00    (#    480:10   Preassigned)
 &rst
  ixpk= 480, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    6 ILE  HD11          6 ILE  HN          6.00    (#    481:10   Preassigned)
 &rst
  ixpk= 481, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  89,  90,  91,
 &end
#
#   63 ILE  HA           63 ILE  HN          5.00    (#    482:10   Preassigned)
 &rst
  ixpk= 482, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HN           63 ILE  HN          6.00    (#    483:10   Preassigned)
 &rst
  ixpk= 483, iat= 875, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 LEU  HB2          63 ILE  HN          5.00    (#    486:10   Preassigned)
 &rst
  ixpk= 486, iat= 879, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HD11         63 ILE  HN          5.00    (#    487:10   Preassigned)
 &rst
  ixpk= 487, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   43 ARG  HN           42 MET  HN          6.00    (#    489:10   Preassigned)
 &rst
  ixpk= 489, iat= 593, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 GLN  HN           42 MET  HN          5.00    (#    490:10   Preassigned)
 &rst
  ixpk= 490, iat= 707, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 GLN  HA           42 MET  HN          3.30    (#    491:10   Preassigned)
 &rst
  ixpk= 491, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   42 MET  HA           42 MET  HN          5.00    (#    492:10   Preassigned)
 &rst
  ixpk= 492, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HG1          42 MET  HN          5.00    (#    493:10   Preassigned)
 &rst
  ixpk= 493, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 581, 582,
 &end
#
#   41 GLN  HG2          42 MET  HN          5.00    (#    494:10   Preassigned)
 &rst
  ixpk= 494, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   40 VAL  MG1          42 MET  HN          6.00    (#    497:10   Preassigned)
 &rst
  ixpk= 497, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   11 LEU  HA           11 LEU  HN          5.00    (#    498:10   Preassigned)
 &rst
  ixpk= 498, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           11 LEU  HN          5.00    (#    500:10   Preassigned)
 &rst
  ixpk= 500, iat= 156, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HB3          11 LEU  HN          5.00    (#    503:10   Preassigned)
 &rst
  ixpk= 503, iat= 171, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HD11         11 LEU  HN          5.00    (#    504:10   Preassigned)
 &rst
  ixpk= 504, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 175, 176, 177,
 &end
#
#   67 CYS  HA           67 CYS  HN          5.00    (#    507:10   Preassigned)
 &rst
  ixpk= 507, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HN          5.00    (#    508:10   Preassigned)
 &rst
  ixpk= 508, iat= 966, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          67 CYS  HN          5.00    (#    509:10   Preassigned)
 &rst
  ixpk= 509, iat= 965, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 PRO  HG1          67 CYS  HN          5.00    (#    510:10   Preassigned)
 &rst
  ixpk= 510, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 951, 952,
 &end
#
#   66 PRO  HB2          67 CYS  HN          5.00    (#    511:10   Preassigned)
 &rst
  ixpk= 511, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         67 CYS  HN          5.00    (#    512:10   Preassigned)
 &rst
  ixpk= 512, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   78 ARG  HA           79 SER  HN          3.30    (#    514:10   Preassigned)
 &rst
  ixpk= 514, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   79 SER  HA           79 SER  HN          5.00    (#    515:10   Preassigned)
 &rst
  ixpk= 515, iat=1146,1144, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 SER  HB1          79 SER  HN          5.00    (#    516:10   Preassigned)
 &rst
  ixpk= 516, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1148,1149,
 &end
#
#   78 ARG  HG1          79 SER  HN          5.00    (#    517:10   Preassigned)
 &rst
  ixpk= 517, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1127,1128,
 &end
#
#   78 ARG  HB-          79 SER  HN          5.00    (#    518:10   Preassigned)
 &rst
  ixpk= 518, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   47 PHE  HN           48 ALA  HN          6.00    (#    519:10   Preassigned)
 &rst
  ixpk= 519, iat= 661, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 PHE  HB3          48 ALA  HN          5.00    (#    521:10   Preassigned)
 &rst
  ixpk= 521, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          48 ALA  HN          6.00    (#    522:10   Preassigned)
 &rst
  ixpk= 522, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ALA  HB1          48 ALA  HN          5.00    (#    523:10   Preassigned)
 &rst
  ixpk= 523, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   43 ARG  HA           44 GLN  HN          5.00    (#    526:10   Preassigned)
 &rst
  ixpk= 526, iat= 595, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HA           44 GLN  HN          6.00    (#    527:10   Preassigned)
 &rst
  ixpk= 527, iat= 619, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 GLN  HB2          44 GLN  HN          5.00    (#    529:10   Preassigned)
 &rst
  ixpk= 529, iat= 621, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ARG  HB+          44 GLN  HN          5.00    (#    530:10   Preassigned)
 &rst
  ixpk= 530, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 597, 598,
 &end
#
#   43 ARG  HG1          44 GLN  HN          6.00    (#    532:10   Preassigned)
 &rst
  ixpk= 532, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 600, 601,
 &end
#
#   10 THR  HN           78 ARG  HN          6.00    (#    533:10   Preassigned)
 &rst
  ixpk= 533, iat= 152,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 SER  HN           78 ARG  HN          6.00    (#    534:10   Preassigned)
 &rst
  ixpk= 534, iat=1144,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ARG  HA           78 ARG  HN          5.00    (#    537:10   Preassigned)
 &rst
  ixpk= 537, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HG1          78 ARG  HN          5.00    (#    538:10   Preassigned)
 &rst
  ixpk= 538, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   78 ARG  HB-          78 ARG  HN          5.00    (#    541:10   Preassigned)
 &rst
  ixpk= 541, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HD21         78 ARG  HN          6.00    (#    542:10   Preassigned)
 &rst
  ixpk= 542, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 179, 180, 181,
 &end
#
#   56 CYS  HN           55 HIS  HN          3.30    (#    543:10   Preassigned)
 &rst
  ixpk= 543, iat= 796, 779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HN           55 HIS  HN          5.00    (#    544:10   Preassigned)
 &rst
  ixpk= 544, iat= 806, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HN          5.00    (#    546:10   Preassigned)
 &rst
  ixpk= 546, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           55 HIS  HN          5.00    (#    547:10   Preassigned)
 &rst
  ixpk= 547, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           55 HIS  HN          6.00    (#    548:10   Preassigned)
 &rst
  ixpk= 548, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PRO  HD1          55 HIS  HN          5.00    (#    549:10   Preassigned)
 &rst
  ixpk= 549, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   55 HIS  HB1          55 HIS  HN          5.00    (#    551:10   Preassigned)
 &rst
  ixpk= 551, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   53 CYS  HB1          55 HIS  HN          6.00    (#    552:10   Preassigned)
 &rst
  ixpk= 552, iat= 760, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HB2          55 HIS  HN          5.00    (#    553:10   Preassigned)
 &rst
  ixpk= 553, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HB2          55 HIS  HN          5.00    (#    554:10   Preassigned)
 &rst
  ixpk= 554, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 772, 773,
 &end
#
#   54 PRO  HG1          55 HIS  HN          5.00    (#    555:10   Preassigned)
 &rst
  ixpk= 555, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
#   33 THR  HG21         55 HIS  HN          6.00    (#    556:10   Preassigned)
 &rst
  ixpk= 556, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#   21 GLY  HN           22 ALA  HN          5.00    (#    558:10   Preassigned)
 &rst
  ixpk= 558, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           22 ALA  HN          6.00    (#    560:10   Preassigned)
 &rst
  ixpk= 560, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 ALA  HA           22 ALA  HN          5.00    (#    563:10   Preassigned)
 &rst
  ixpk= 563, iat= 307, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           22 ALA  HN          6.00    (#    564:10   Preassigned)
 &rst
  ixpk= 564, iat= 289, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 SER  HB3          22 ALA  HN          5.00    (#    565:10   Preassigned)
 &rst
  ixpk= 565, iat= 292, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA1          22 ALA  HN          5.00    (#    566:10   Preassigned)
 &rst
  ixpk= 566, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB3          22 ALA  HN          5.00    (#    567:10   Preassigned)
 &rst
  ixpk= 567, iat= 258, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA2          22 ALA  HN          5.00    (#    568:10   Preassigned)
 &rst
  ixpk= 568, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB2          22 ALA  HN          5.00    (#    569:10   Preassigned)
 &rst
  ixpk= 569, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HD11         22 ALA  HN          6.00    (#    572:10   Preassigned)
 &rst
  ixpk= 572, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         22 ALA  HN          6.00    (#    573:10   Preassigned)
 &rst
  ixpk= 573, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 900, 901, 902,
 &end
#
#    7 ARG  HA            8 ILE  HN          3.30    (#    575:10   Preassigned)
 &rst
  ixpk= 575, iat=  97, 119, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    8 ILE  HB            8 ILE  HN          5.00    (#    576:10   Preassigned)
 &rst
  ixpk= 576, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 ARG  HG1           8 ILE  HN          5.00    (#    578:10   Preassigned)
 &rst
  ixpk= 578, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 102, 103,
 &end
#
#    8 ILE  HG12          8 ILE  HN          5.00    (#    579:10   Preassigned)
 &rst
  ixpk= 579, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 129, 130,
 &end
#
#    6 ILE  HG21          8 ILE  HN          5.00    (#    580:10   Preassigned)
 &rst
  ixpk= 580, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  82,  83,  84,
 &end
#
#   69 LYS  HN           68 ASN  HN          5.00    (#    581:10   Preassigned)
 &rst
  ixpk= 581, iat= 985, 971, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HA           68 ASN  HN          5.00    (#    583:10   Preassigned)
 &rst
  ixpk= 583, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           68 ASN  HN          5.00    (#    585:10   Preassigned)
 &rst
  ixpk= 585, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          68 ASN  HN          5.00    (#    586:10   Preassigned)
 &rst
  ixpk= 586, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#    7 ARG  HA            7 ARG  HN          6.00    (#    590:10   Preassigned)
 &rst
  ixpk= 590, iat=  97,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ILE  HA            7 ARG  HN          5.00    (#    591:10   Preassigned)
 &rst
  ixpk= 591, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HG11          7 ARG  HN          6.00    (#    593:10   Preassigned)
 &rst
  ixpk= 593, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  86,  87,
 &end
#
#    6 ILE  HG21          7 ARG  HN          6.00    (#    594:10   Preassigned)
 &rst
  ixpk= 594, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  82,  83,  84,
 &end
#
#   65 ASP  HN           64 LYS  HN          5.00    (#    596:10   Preassigned)
 &rst
  ixpk= 596, iat= 935, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HA           64 LYS  HN          5.00    (#    597:10   Preassigned)
 &rst
  ixpk= 597, iat= 915, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           64 LYS  HN          5.00    (#    598:10   Preassigned)
 &rst
  ixpk= 598, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HB+          64 LYS  HN          5.00    (#    599:10   Preassigned)
 &rst
  ixpk= 599, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 917, 918,
 &end
#
#   64 LYS  HG1          64 LYS  HN          6.00    (#    600:10   Preassigned)
 &rst
  ixpk= 600, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 920, 921,
 &end
#
#   63 ILE  HD11         64 LYS  HN          6.00    (#    601:10   Preassigned)
 &rst
  ixpk= 601, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         64 LYS  HN          5.00    (#    602:10   Preassigned)
 &rst
  ixpk= 602, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   14 CYS  HN           15 ASP  HN          6.00    (#    603:10   Preassigned)
 &rst
  ixpk= 603, iat= 215, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HN           15 ASP  HN          6.00    (#    604:10   Preassigned)
 &rst
  ixpk= 604, iat= 253, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 ASP  HA           15 ASP  HN          5.00    (#    605:10   Preassigned)
 &rst
  ixpk= 605, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB3          15 ASP  HN          5.00    (#    607:10   Preassigned)
 &rst
  ixpk= 607, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB2          15 ASP  HN          5.00    (#    608:10   Preassigned)
 &rst
  ixpk= 608, iat= 229, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB3          15 ASP  HN          5.00    (#    609:10   Preassigned)
 &rst
  ixpk= 609, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          15 ASP  HN          5.00    (#    610:10   Preassigned)
 &rst
  ixpk= 610, iat= 219, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HB2          15 ASP  HN          5.00    (#    611:10   Preassigned)
 &rst
  ixpk= 611, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#   76 VAL  MGY          15 ASP  HN          5.00    (#    612:10   Preassigned)
 &rst
  ixpk= 612, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HN           14 CYS  HN          6.00    (#    624:10   Preassigned)
 &rst
  ixpk= 624, iat=1089, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLU  HN           14 CYS  HN          6.00    (#    625:10   Preassigned)
 &rst
  ixpk= 625, iat= 200, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           14 CYS  HN          5.00    (#    626:10   Preassigned)
 &rst
  ixpk= 626, iat=1067, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HA           14 CYS  HN          3.30    (#    628:10   Preassigned)
 &rst
  ixpk= 628, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HA           14 CYS  HN          5.00    (#    629:10   Preassigned)
 &rst
  ixpk= 629, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA2          14 CYS  HN          6.00    (#    630:10   Preassigned)
 &rst
  ixpk= 630, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1060,1061,
 &end
#
#   14 CYS  HB3          14 CYS  HN          5.00    (#    631:10   Preassigned)
 &rst
  ixpk= 631, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB3          14 CYS  HN          6.00    (#    634:10   Preassigned)
 &rst
  ixpk= 634, iat=1070, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  MGY          14 CYS  HN          6.00    (#    635:10   Preassigned)
 &rst
  ixpk= 635, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   72 GLY  HN           74 GLY  HN          6.00    (#    677:10   Preassigned)
 &rst
  ixpk= 677, iat=1034,1058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 THR  HA           31 CYS  HN          3.30    (#   5390:19   Unique)
 &rst
  ixpk= 5390, iat= 863, 434, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   31 CYS  HA           31 CYS  HN          5.00    (#   5392:19   Unique)
 &rst
  ixpk= 5392, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HA           31 CYS  HN          2.70    (#   5393:19   Unique)
 &rst
  ixpk= 5393, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HB3          31 CYS  HN          5.00    (#   5394:19   Unique)
 &rst
  ixpk= 5394, iat= 439, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          31 CYS  HN          5.00    (#   5395:19   Unique)
 &rst
  ixpk= 5395, iat= 438, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         31 CYS  HN          5.00    (#   5396:19   Unique)
 &rst
  ixpk= 5396, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   62 LEU  HN           31 CYS  HN          6.00    (#   5505:19   Unique)
 &rst
  ixpk= 5505, iat= 875, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 VAL  HN           53 CYS  HN          5.00    (#   5638:19   Unique)
 &rst
  ixpk= 5638, iat= 541, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          53 CYS  HN          5.00    (#   5641:19   Unique)
 &rst
  ixpk= 5641, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#   53 CYS  HA           53 CYS  HN          5.00    (#   5642:19   Unique)
 &rst
  ixpk= 5642, iat= 757, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:5644    53 CYS  HN          5.00    (#   5644:19   Single Ambig)
 &rst
  ixpk= 5644, iat= 745, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HB1          53 CYS  HN          5.00    (#   5645:19   Unique)
 &rst
  ixpk= 5645, iat= 760, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:5646    53 CYS  HN          8.00    (#   5646:19   Single Ambig)
 &rst
  ixpk= 5646, iat= 438, 755, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   52 THR  HG21         53 CYS  HN          5.00    (#   5647:19   Unique)
 &rst
  ixpk= 5647, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   40 VAL  MG1          53 CYS  HN          6.00    (#   5648:19   Unique)
 &rst
  ixpk= 5648, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   39 GLN  HA           53 CYS  HN          5.00    (#   5770:19   Unique)
 &rst
  ixpk= 5770, iat= 526, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HA           53 CYS  HN          3.30    (#   5771:19   Unique)
 &rst
  ixpk= 5771, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   53 CYS  HB2          53 CYS  HN          3.30    (#   5773:19   Unique)
 &rst
  ixpk= 5773, iat= 759, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   76 VAL  HN           14 CYS  HN          5.00    (#   6058:19   Unique)
 &rst
  ixpk= 6058, iat=1089, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HA           14 CYS  HN          5.00    (#   6060:19   Unique)
 &rst
  ixpk= 6060, iat=1067, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HA           14 CYS  HN          3.30    (#   6062:19   Unique)
 &rst
  ixpk= 6062, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HB3          14 CYS  HN          5.00    (#   6063:19   Unique)
 &rst
  ixpk= 6063, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:6064    14 CYS  HN          3.30    (#   6064:19   Single Ambig)
 &rst
  ixpk= 6064, iat= 219, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   13 GLU  HB2          14 CYS  HN          5.00    (#   6065:19   Unique)
 &rst
  ixpk= 6065, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#   15 ASP  HA           15 ASP  HN          5.00    (#   6313:19   Unique)
 &rst
  ixpk= 6313, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HA           15 ASP  HN          3.30    (#   6314:19   Unique)
 &rst
  ixpk= 6314, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HB2          15 ASP  HN          5.00    (#   6316:19   Unique)
 &rst
  ixpk= 6316, iat= 229, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB3          15 ASP  HN          5.00    (#   6317:19   Unique)
 &rst
  ixpk= 6317, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:6452    15 ASP  HN          5.00    (#   6452:19   Single Ambig)
 &rst
  ixpk= 6452, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 207, 208, 219,
 &end
#
#   76 VAL  MGY          15 ASP  HN          5.00    (#   6453:19   Unique)
 &rst
  ixpk= 6453, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  19-2:6454    64 LYS  HN          5.00    (#   6454:19   Single Ambig)
 &rst
  ixpk= 6454, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   63 ILE  HA           64 LYS  HN          3.30    (#   6456:19   Unique)
 &rst
  ixpk= 6456, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   64 LYS  HB-          64 LYS  HN          5.00    (#   6457:19   Unique)
 &rst
  ixpk= 6457, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 917, 918,
 &end
#
#    6 ILE  HA            7 ARG  HN          3.30    (#   6679:19   Unique)
 &rst
  ixpk= 6679, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:6680     7 ARG  HN          6.00    (#   6680:19   Single Ambig)
 &rst
  ixpk= 6680, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,  86,  87,
 &end
#
#   67 CYS  HA           68 ASN  HN          3.30    (#   6917:19   Unique)
 &rst
  ixpk= 6917, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HB1          68 ASN  HN          5.00    (#   6918:19   Unique)
 &rst
  ixpk= 6918, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#    7 ARG  HA            8 ILE  HN          3.30    (#   6920:19   Unique)
 &rst
  ixpk= 6920, iat=  97, 119, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:6921     8 ILE  HN          5.00    (#   6921:19   Single Ambig)
 &rst
  ixpk= 6921, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:6922     8 ILE  HN          5.00    (#   6922:19   Single Ambig)
 &rst
  ixpk= 6922, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 129, 130,
 &end
#
#    0 AMB  19-2:6923     8 ILE  HN          5.00    (#   6923:19   Single Ambig)
 &rst
  ixpk= 6923, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 129, 130,
 &end
#
#    0 AMB  19-2:6924     8 ILE  HN          5.00    (#   6924:19   Single Ambig)
 &rst
  ixpk= 6924, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#   56 CYS  HN           55 HIS  HN          3.30    (#   7011:19   Unique)
 &rst
  ixpk= 7011, iat= 796, 779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HN           55 HIS  HN          5.00    (#   7012:19   Unique)
 &rst
  ixpk= 7012, iat= 806, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HN          5.00    (#   7013:19   Unique)
 &rst
  ixpk= 7013, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           55 HIS  HN          5.00    (#   7014:19   Unique)
 &rst
  ixpk= 7014, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           55 HIS  HN          6.00    (#   7015:19   Unique)
 &rst
  ixpk= 7015, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PRO  HD1          55 HIS  HN          5.00    (#   7016:19   Unique)
 &rst
  ixpk= 7016, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   54 PRO  HD2          55 HIS  HN          5.00    (#   7017:19   Unique)
 &rst
  ixpk= 7017, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   55 HIS  HB1          55 HIS  HN          5.00    (#   7018:19   Unique)
 &rst
  ixpk= 7018, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   55 HIS  HB2          55 HIS  HN          5.00    (#   7019:19   Unique)
 &rst
  ixpk= 7019, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7020    55 HIS  HN          5.00    (#   7020:19   Single Ambig)
 &rst
  ixpk= 7020, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 769, 770, 772, 773,
 &end
#
#   54 PRO  HG2          55 HIS  HN          5.00    (#   7021:19   Unique)
 &rst
  ixpk= 7021, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
#   33 THR  HG21         55 HIS  HN          6.00    (#   7022:19   Unique)
 &rst
  ixpk= 7022, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  19-2:7030    78 ARG  HN          3.30    (#   7030:19   Single Ambig)
 &rst
  ixpk= 7030, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   78 ARG  HA           78 ARG  HN          5.00    (#   7031:19   Unique)
 &rst
  ixpk= 7031, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7032    78 ARG  HN          5.00    (#   7032:19   Single Ambig)
 &rst
  ixpk= 7032, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 192, 193,1112,1113,
 &end
#
#   78 ARG  HB+          78 ARG  HN          3.30    (#   7033:19   Unique)
 &rst
  ixpk= 7033, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1124,1125,
 &end
#
#   78 ARG  HB-          78 ARG  HN          5.00    (#   7034:19   Unique)
 &rst
  ixpk= 7034, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HD21         78 ARG  HN          5.00    (#   7035:19   Unique)
 &rst
  ixpk= 7035, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   21 GLY  HN           22 ALA  HN          5.00    (#   7041:19   Unique)
 &rst
  ixpk= 7041, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           22 ALA  HN          6.00    (#   7044:19   Unique)
 &rst
  ixpk= 7044, iat= 294, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HA           22 ALA  HN          5.00    (#   7045:19   Unique)
 &rst
  ixpk= 7045, iat= 255, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7046    22 ALA  HN          5.00    (#   7046:19   Single Ambig)
 &rst
  ixpk= 7046, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 300, 301, 291,
 &end
#
#   17 CYS  HB3          22 ALA  HN          5.00    (#   7047:19   Unique)
 &rst
  ixpk= 7047, iat= 258, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA2           0 AMB  19-1:7048   5.00    (#   7048:19   Single Ambig)
 &rst
  ixpk= 7048, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,
 igr2= 305, 961,
 &end
#
#   17 CYS  HB2          22 ALA  HN          5.00    (#   7049:19   Unique)
 &rst
  ixpk= 7049, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          22 ALA  HN          3.30    (#   7050:19   Unique)
 &rst
  ixpk= 7050, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HD11         22 ALA  HN          5.00    (#   7051:19   Unique)
 &rst
  ixpk= 7051, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   44 GLN  HG1          44 GLN  HN          6.00    (#   7210:19   Unique)
 &rst
  ixpk= 7210, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 624, 625,
 &end
#
#    0 AMB  19-2:7211    44 GLN  HN          5.00    (#   7211:19   Single Ambig)
 &rst
  ixpk= 7211, iat= 621, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7212    44 GLN  HN          5.00    (#   7212:19   Single Ambig)
 &rst
  ixpk= 7212, iat= 622, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          48 ALA  HN          5.00    (#   7219:19   Unique)
 &rst
  ixpk= 7219, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          48 ALA  HN          6.00    (#   7220:19   Unique)
 &rst
  ixpk= 7220, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ALA  HB1          48 ALA  HN          3.30    (#   7222:19   Unique)
 &rst
  ixpk= 7222, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 685, 686, 687,
 &end
#
#   77 GLU  HN           79 SER  HN          6.00    (#   7224:19   Unique)
 &rst
  ixpk= 7224, iat=1105,1144, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ARG  HA           79 SER  HN          3.30    (#   7233:19   Unique)
 &rst
  ixpk= 7233, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   79 SER  HB1          79 SER  HN          5.00    (#   7234:19   Unique)
 &rst
  ixpk= 7234, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1148,1149,
 &end
#
#   78 ARG  HB+          79 SER  HN          5.00    (#   7236:19   Unique)
 &rst
  ixpk= 7236, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   23 LYS  HA           67 CYS  HN          5.00    (#   7238:19   Unique)
 &rst
  ixpk= 7238, iat= 317, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HG21         67 CYS  HN          5.00    (#   7239:19   Unique)
 &rst
  ixpk= 7239, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   72 GLY  HA1          67 CYS  HN          5.00    (#   7241:19   Unique)
 &rst
  ixpk= 7241, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#    0 AMB  19-2:7242    67 CYS  HN          3.30    (#   7242:19   Single Ambig)
 &rst
  ixpk= 7242, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 957, 307,
 &end
#
#   67 CYS  HA           67 CYS  HN          5.00    (#   7243:19   Unique)
 &rst
  ixpk= 7243, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HN          3.30    (#   7244:19   Unique)
 &rst
  ixpk= 7244, iat= 966, 961, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   67 CYS  HB2          67 CYS  HN          3.30    (#   7245:19   Unique)
 &rst
  ixpk= 7245, iat= 965, 961, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   66 PRO  HB2          67 CYS  HN          5.00    (#   7246:19   Unique)
 &rst
  ixpk= 7246, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#    0 AMB  19-2:7417    42 MET  HN          5.00    (#   7417:19   Single Ambig)
 &rst
  ixpk= 7417, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 691, 557,
 &end
#
#   41 GLN  HA           42 MET  HN          3.30    (#   7418:19   Unique)
 &rst
  ixpk= 7418, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:7419    42 MET  HN          5.00    (#   7419:19   Single Ambig)
 &rst
  ixpk= 7419, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 581, 582, 581, 582,
 &end
#
#   41 GLN  HG1          42 MET  HN          5.00    (#   7420:19   Unique)
 &rst
  ixpk= 7420, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#    0 AMB  19-2:7421    42 MET  HN          7.00    (#   7421:19   Single Ambig)
 &rst
  ixpk= 7421, iat= 728, 574, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   10 THR  HA           11 LEU  HN          3.30    (#   7426:19   Unique)
 &rst
  ixpk= 7426, iat= 154, 166, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HB2          11 LEU  HN          5.00    (#   7427:19   Unique)
 &rst
  ixpk= 7427, iat= 170, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HG           11 LEU  HN          5.00    (#   7428:19   Unique)
 &rst
  ixpk= 7428, iat= 173, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7429    11 LEU  HN          5.00    (#   7429:19   Single Ambig)
 &rst
  ixpk= 7429, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 171, 158, 159, 160,
 &end
#
#   11 LEU  HD21         11 LEU  HN          5.00    (#   7430:19   Unique)
 &rst
  ixpk= 7430, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   69 LYS  HB2          69 LYS  HN          3.30    (#   7620:19   Unique)
 &rst
  ixpk= 7620, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   69 LYS  HG2          69 LYS  HN          5.00    (#   7621:19   Unique)
 &rst
  ixpk= 7621, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#    0 AMB  19-2:7622    69 LYS  HN          5.00    (#   7622:19   Single Ambig)
 &rst
  ixpk= 7622, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#    0 AMB  19-2:7624     0 AMB  19-1:7624   5.00    (#   7624:19   Double Ambig)
 &rst
  ixpk= 7624, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   63 ILE  HA           63 ILE  HN          5.00    (#   7625:19   Unique)
 &rst
  ixpk= 7625, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7626    63 ILE  HN          5.00    (#   7626:19   Single Ambig)
 &rst
  ixpk= 7626, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 GLY  HA1          46 PHE  HN          6.00    (#   7628:19   Unique)
 &rst
  ixpk= 7628, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 636, 637,
 &end
#
#    6 ILE  HD11          6 ILE  HN          5.00    (#   7637:19   Unique)
 &rst
  ixpk= 7637, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  89,  90,  91,
 &end
#
#   70 CYS  HN           69 LYS  HN          3.30    (#   7775:19   Unique)
 &rst
  ixpk= 7775, iat=1007, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HA           69 LYS  HN          5.00    (#   7776:19   Unique)
 &rst
  ixpk= 7776, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HN          5.00    (#   7777:19   Unique)
 &rst
  ixpk= 7777, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          69 LYS  HN          5.00    (#   7779:19   Unique)
 &rst
  ixpk= 7779, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   69 LYS  HB3          69 LYS  HN          5.00    (#   7780:19   Unique)
 &rst
  ixpk= 7780, iat= 990, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           16 VAL  HN          3.30    (#   7784:19   Unique)
 &rst
  ixpk= 7784, iat= 253, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           16 VAL  HN          5.00    (#   7785:19   Unique)
 &rst
  ixpk= 7785, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA           16 VAL  HN          5.00    (#   7786:19   Unique)
 &rst
  ixpk= 7786, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7789    16 VAL  HN          3.30    (#   7789:19   Single Ambig)
 &rst
  ixpk= 7789, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   16 VAL  HB           16 VAL  HN          2.70    (#   7790:19   Unique)
 &rst
  ixpk= 7790, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 VAL  HN           77 GLU  HN          5.00    (#   7791:19   Unique)
 &rst
  ixpk= 7791, iat=1089,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HA           77 GLU  HN          2.70    (#   7794:19   Unique)
 &rst
  ixpk= 7794, iat=1091,1105, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   77 GLU  HG1          77 GLU  HN          5.00    (#   7795:19   Unique)
 &rst
  ixpk= 7795, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   76 VAL  HB           77 GLU  HN          3.30    (#   7796:19   Unique)
 &rst
  ixpk= 7796, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:7797     0 AMB  19-1:7797   3.30    (#   7797:19   Double Ambig)
 &rst
  ixpk= 7797, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HN          3.30    (#   7798:19   Unique)
 &rst
  ixpk= 7798, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:7799    63 ILE  HN          5.00    (#   7799:19   Single Ambig)
 &rst
  ixpk= 7799, iat= 879, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HN           50 GLN  HN          6.00    (#   7800:19   Unique)
 &rst
  ixpk= 7800, iat= 724, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:7803    50 GLN  HN          5.00    (#   7803:19   Single Ambig)
 &rst
  ixpk= 7803, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#    0 AMB  19-2:7804    50 GLN  HN          5.00    (#   7804:19   Single Ambig)
 &rst
  ixpk= 7804, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715, 711, 712,
 &end
#
#    0 AMB  19-2:7806    50 GLN  HN          5.00    (#   7806:19   Single Ambig)
 &rst
  ixpk= 7806, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 697, 698, 699,
 &end
#
#    5 GLU  HA            6 ILE  HN          3.30    (#   7810:19   Unique)
 &rst
  ixpk= 7810, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    5 GLU  HB1           6 ILE  HN          5.00    (#   7811:19   Unique)
 &rst
  ixpk= 7811, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#    0 AMB  19-2:7812     6 ILE  HN          5.00    (#   7812:19   Single Ambig)
 &rst
  ixpk= 7812, iat=  80,  76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HA           43 ARG  HN          3.30    (#   7975:19   Unique)
 &rst
  ixpk= 7975, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    4 LYS  HA            5 GLU  HN          5.00    (#   7978:19   Unique)
 &rst
  ixpk= 7978, iat=  41,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7985    23 LYS  HN          3.30    (#   7985:19   Single Ambig)
 &rst
  ixpk= 7985, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 307, 957,
 &end
#
#   23 LYS  HA           23 LYS  HN          5.00    (#   7986:19   Unique)
 &rst
  ixpk= 7986, iat= 317, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           23 LYS  HN          5.00    (#   7987:19   Unique)
 &rst
  ixpk= 7987, iat= 963, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  QB           23 LYS  HN          2.70    (#   7990:19   Unique)
 &rst
  ixpk= 7990, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          23 LYS  HN          5.00    (#   7991:19   Unique)
 &rst
  ixpk= 7991, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#    0 AMB  19-2:7992    23 LYS  HN          5.00    (#   7992:19   Single Ambig)
 &rst
  ixpk= 7992, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 309, 310, 311, 364, 365, 366,
 &end
#
#   63 ILE  HG21         23 LYS  HN          5.00    (#   7993:19   Unique)
 &rst
  ixpk= 7993, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   13 GLU  HA           13 GLU  HN          5.00    (#   8129:19   Unique)
 &rst
  ixpk= 8129, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:8130    13 GLU  HN          2.70    (#   8130:19   Single Ambig)
 &rst
  ixpk= 8130, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 204, 205, 189, 190,
 &end
#
#   12 GLU  HA           13 GLU  HN          2.70    (#   8131:19   Unique)
 &rst
  ixpk= 8131, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  19-2:8274    51 GLN  HN          5.00    (#   8274:19   Single Ambig)
 &rst
  ixpk= 8274, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 707, 741,
 &end
#
#   50 GLN  HA           51 GLN  HN          2.70    (#   8275:19   Unique)
 &rst
  ixpk= 8275, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  19-2:8276    51 GLN  HN          5.00    (#   8276:19   Single Ambig)
 &rst
  ixpk= 8276, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 731, 732, 564, 565,
 &end
#
#    0 AMB  19-2:8277    51 GLN  HN          5.00    (#   8277:19   Single Ambig)
 &rst
  ixpk= 8277, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715, 578, 579,
 &end
#
#   39 GLN  HA           51 GLN  HN          6.00    (#   8278:19   Unique)
 &rst
  ixpk= 8278, iat= 526, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:8279    51 GLN  HN          3.30    (#   8279:19   Single Ambig)
 &rst
  ixpk= 8279, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 711, 712, 728, 528,
 &end
#
#   40 VAL  MG2          51 GLN  HN          5.00    (#   8282:19   Unique)
 &rst
  ixpk= 8282, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   29 GLN  HA           30 THR  HN          3.30    (#   8285:19   Unique)
 &rst
  ixpk= 8285, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   30 THR  HB           30 THR  HN          3.30    (#   8286:19   Unique)
 &rst
  ixpk= 8286, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 GLN  HB1          30 THR  HN          5.00    (#   8287:19   Unique)
 &rst
  ixpk= 8287, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#   30 THR  HG21         30 THR  HN          5.00    (#   8289:19   Unique)
 &rst
  ixpk= 8289, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   62 LEU  HN           29 GLN  HN          5.00    (#   8429:19   Unique)
 &rst
  ixpk= 8429, iat= 875, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           29 GLN  HN          2.70    (#   8430:19   Unique)
 &rst
  ixpk= 8430, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   29 GLN  HG2          29 GLN  HN          5.00    (#   8431:19   Unique)
 &rst
  ixpk= 8431, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#   62 LEU  HB2          29 GLN  HN          5.00    (#   8432:19   Unique)
 &rst
  ixpk= 8432, iat= 879, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HA           12 GLU  HN          2.70    (#   8585:19   Unique)
 &rst
  ixpk= 8585, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   12 GLU  HA           12 GLU  HN          5.00    (#   8586:19   Unique)
 &rst
  ixpk= 8586, iat= 187, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:8587    12 GLU  HN          5.00    (#   8587:19   Single Ambig)
 &rst
  ixpk= 8587, iat=1107, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLU  HG1          12 GLU  HN          5.00    (#   8588:19   Unique)
 &rst
  ixpk= 8588, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 192, 193,
 &end
#
#   77 GLU  HB1          12 GLU  HN          6.00    (#   8589:19   Unique)
 &rst
  ixpk= 8589, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1109,1110,
 &end
#
#   12 GLU  HB2          12 GLU  HN          5.00    (#   8590:19   Unique)
 &rst
  ixpk= 8590, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 189, 190,
 &end
#
#    0 AMB  19-2:8591    12 GLU  HN          5.00    (#   8591:19   Single Ambig)
 &rst
  ixpk= 8591, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 170,1069,1124,1125,
 &end
#
#   11 LEU  HB3          12 GLU  HN          5.00    (#   8592:19   Unique)
 &rst
  ixpk= 8592, iat= 171, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          12 GLU  HN          5.00    (#   8593:19   Unique)
 &rst
  ixpk= 8593, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         12 GLU  HN          5.00    (#   8594:19   Unique)
 &rst
  ixpk= 8594, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   29 GLN  HB1          29 GLN  HN          5.00    (#   8597:19   Unique)
 &rst
  ixpk= 8597, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#   60 GLY  HN           59 ARG  HN          5.00    (#   8604:19   Unique)
 &rst
  ixpk= 8604, iat= 854, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           59 ARG  HN          3.30    (#   8605:19   Unique)
 &rst
  ixpk= 8605, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:8606    59 ARG  HN          6.00    (#   8606:19   Single Ambig)
 &rst
  ixpk= 8606, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 843, 861,
 &end
#
#   59 ARG  HA           59 ARG  HN          5.00    (#   8607:19   Unique)
 &rst
  ixpk= 8607, iat= 832, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:8608    59 ARG  HN          5.00    (#   8608:19   Single Ambig)
 &rst
  ixpk= 8608, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 800, 840, 841,
 &end
#
#   56 CYS  HB1          59 ARG  HN          6.00    (#   8609:19   Unique)
 &rst
  ixpk= 8609, iat= 801, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  QB           59 ARG  HN          3.30    (#   8611:19   Unique)
 &rst
  ixpk= 8611, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HN          5.00    (#   8612:19   Unique)
 &rst
  ixpk= 8612, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          59 ARG  HN          5.00    (#   8613:19   Unique)
 &rst
  ixpk= 8613, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  19-2:8821    33 THR  HN          3.30    (#   8821:19   Single Ambig)
 &rst
  ixpk= 8821, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 472, 482,
 &end
#
#    0 AMB  19-2:8823    33 THR  HN          5.00    (#   8823:19   Single Ambig)
 &rst
  ixpk= 8823, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           33 THR  HN          3.30    (#   8824:19   Unique)
 &rst
  ixpk= 8824, iat= 462, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HA           33 THR  HN          5.00    (#   8825:19   Unique)
 &rst
  ixpk= 8825, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HD1          33 THR  HN          5.00    (#   8826:19   Unique)
 &rst
  ixpk= 8826, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   33 THR  HG21         33 THR  HN          5.00    (#   8827:19   Unique)
 &rst
  ixpk= 8827, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  19-2:8829    41 GLN  HN          5.00    (#   8829:19   Single Ambig)
 &rst
  ixpk= 8829, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 541,
 &end
#
#   40 VAL  HA           41 GLN  HN          2.70    (#   8832:19   Unique)
 &rst
  ixpk= 8832, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   40 VAL  HB           41 GLN  HN          3.30    (#   8833:19   Unique)
 &rst
  ixpk= 8833, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  QB           41 GLN  HN          5.00    (#   8834:19   Unique)
 &rst
  ixpk= 8834, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 562,
 &end
#
#   40 VAL  MG1          41 GLN  HN          5.00    (#   8835:19   Unique)
 &rst
  ixpk= 8835, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          41 GLN  HN          5.00    (#   8836:19   Unique)
 &rst
  ixpk= 8836, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   38 GLY  HN           39 GLN  HN          5.00    (#   9117:19   Unique)
 &rst
  ixpk= 9117, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           39 GLN  HN          5.00    (#   9121:19   Unique)
 &rst
  ixpk= 9121, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9122    39 GLN  HN          5.00    (#   9122:19   Single Ambig)
 &rst
  ixpk= 9122, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 510, 511, 519, 520,
 &end
#
#   34 CYS  HB3          39 GLN  HN          3.30    (#   9123:19   Unique)
 &rst
  ixpk= 9123, iat= 477, 524, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HG1          39 GLN  HN          5.00    (#   9124:19   Unique)
 &rst
  ixpk= 9124, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#    0 AMB  19-2:9125    39 GLN  HN          5.00    (#   9125:19   Single Ambig)
 &rst
  ixpk= 9125, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 759,
 &end
#
#   34 CYS  HB2          39 GLN  HN          5.00    (#   9128:19   Unique)
 &rst
  ixpk= 9128, iat= 476, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HB2          39 GLN  HN          5.00    (#   9129:19   Unique)
 &rst
  ixpk= 9129, iat= 528, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          35 HIS  HN          5.00    (#   9133:19   Unique)
 &rst
  ixpk= 9133, iat= 439, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         35 HIS  HN          5.00    (#   9134:19   Unique)
 &rst
  ixpk= 9134, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   33 THR  HN           35 HIS  HN          5.00    (#   9135:19   Unique)
 &rst
  ixpk= 9135, iat= 458, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HN          5.00    (#   9136:19   Unique)
 &rst
  ixpk= 9136, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           35 HIS  HN          5.00    (#   9138:19   Unique)
 &rst
  ixpk= 9138, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9139    35 HIS  HN          2.70    (#   9139:19   Single Ambig)
 &rst
  ixpk= 9139, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  19-2:9140    35 HIS  HN          5.00    (#   9140:19   Single Ambig)
 &rst
  ixpk= 9140, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 486, 477,
 &end
#
#    0 AMB  19-2:9277    62 LEU  HN          5.00    (#   9277:19   Single Ambig)
 &rst
  ixpk= 9277, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 403, 894,
 &end
#
#   31 CYS  HN           62 LEU  HN          5.00    (#   9278:19   Unique)
 &rst
  ixpk= 9278, iat= 434, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           62 LEU  HN          3.30    (#   9279:19   Unique)
 &rst
  ixpk= 9279, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HA           62 LEU  HN          5.00    (#   9280:19   Unique)
 &rst
  ixpk= 9280, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9281    62 LEU  HN          3.30    (#   9281:19   Single Ambig)
 &rst
  ixpk= 9281, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 865, 422,
 &end
#
#   29 GLN  HB1          62 LEU  HN          5.00    (#   9282:19   Unique)
 &rst
  ixpk= 9282, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#   29 GLN  HB2          62 LEU  HN          6.00    (#   9283:19   Unique)
 &rst
  ixpk= 9283, iat= 407, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 LEU  HB2          62 LEU  HN          5.00    (#   9284:19   Unique)
 &rst
  ixpk= 9284, iat= 879, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HG           62 LEU  HN          5.00    (#   9285:19   Unique)
 &rst
  ixpk= 9285, iat= 882, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         62 LEU  HN          5.00    (#   9286:19   Unique)
 &rst
  ixpk= 9286, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   62 LEU  HD21         62 LEU  HN          5.00    (#   9287:19   Unique)
 &rst
  ixpk= 9287, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   16 VAL  HN           18 HIS  HN          5.00    (#   9290:19   Unique)
 &rst
  ixpk= 9290, iat= 237, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           18 HIS  HN          5.00    (#   9291:19   Unique)
 &rst
  ixpk= 9291, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           18 HIS  HN          5.00    (#   9294:19   Unique)
 &rst
  ixpk= 9294, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           18 HIS  HN          2.70    (#   9295:19   Unique)
 &rst
  ixpk= 9295, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   15 ASP  HA           18 HIS  HN          5.00    (#   9296:19   Unique)
 &rst
  ixpk= 9296, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          18 HIS  HN          5.00    (#   9297:19   Unique)
 &rst
  ixpk= 9297, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   14 CYS  HB3          18 HIS  HN          5.00    (#   9298:19   Unique)
 &rst
  ixpk= 9298, iat= 220, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9300    18 HIS  HN          6.00    (#   9300:19   Single Ambig)
 &rst
  ixpk= 9300, iat= 241, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 LYS  HN           71 HIS  HN          6.00    (#   9302:19   Unique)
 &rst
  ixpk= 9302, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYS  HA           71 HIS  HN          5.00    (#   9305:19   Unique)
 &rst
  ixpk= 9305, iat=1009,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           71 HIS  HN          2.70    (#   9306:19   Unique)
 &rst
  ixpk= 9306, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   71 HIS  HB-          71 HIS  HN          5.00    (#   9307:19   Unique)
 &rst
  ixpk= 9307, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1021,1022,
 &end
#
#   51 GLN  HA           52 THR  HN          2.70    (#   9511:19   Unique)
 &rst
  ixpk= 9511, iat= 726, 741, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   52 THR  HA           52 THR  HN          5.00    (#   9512:19   Unique)
 &rst
  ixpk= 9512, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HB           52 THR  HN          5.00    (#   9513:19   Unique)
 &rst
  ixpk= 9513, iat= 745, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HG1          52 THR  HN          5.00    (#   9514:19   Unique)
 &rst
  ixpk= 9514, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#    0 AMB  19-2:9516    49 VAL  HN          3.30    (#   9516:19   Single Ambig)
 &rst
  ixpk= 9516, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 695, 578, 579,
 &end
#
#   42 MET  HN           49 VAL  HN          5.00    (#   9517:19   Unique)
 &rst
  ixpk= 9517, iat= 574, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 VAL  HA           49 VAL  HN          5.00    (#   9518:19   Unique)
 &rst
  ixpk= 9518, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          49 VAL  HN          5.00    (#   9519:19   Unique)
 &rst
  ixpk= 9519, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   49 VAL  MG2          49 VAL  HN          5.00    (#   9520:19   Unique)
 &rst
  ixpk= 9520, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#   65 ASP  HA           65 ASP  HN          5.00    (#   9522:19   Unique)
 &rst
  ixpk= 9522, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB2          65 ASP  HN          5.00    (#   9525:19   Unique)
 &rst
  ixpk= 9525, iat= 939, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB3          65 ASP  HN          5.00    (#   9526:19   Unique)
 &rst
  ixpk= 9526, iat= 940, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HG21         65 ASP  HN          5.00    (#   9528:19   Unique)
 &rst
  ixpk= 9528, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   74 GLY  HN           73 HIS  HN          5.00    (#   9531:19   Unique)
 &rst
  ixpk= 9531, iat=1058,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HN          5.00    (#   9534:19   Unique)
 &rst
  ixpk= 9534, iat=1054,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           73 HIS  HN          6.00    (#   9535:19   Unique)
 &rst
  ixpk= 9535, iat=1065,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 GLY  HA1          73 HIS  HN          5.00    (#   9537:19   Unique)
 &rst
  ixpk= 9537, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  HA           73 HIS  HN          3.30    (#   9538:19   Unique)
 &rst
  ixpk= 9538, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:9539    73 HIS  HN          2.70    (#   9539:19   Single Ambig)
 &rst
  ixpk= 9539, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB3          73 HIS  HN          5.00    (#   9540:19   Unique)
 &rst
  ixpk= 9540, iat=1012,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9819    47 PHE  HN          6.00    (#   9819:19   Single Ambig)
 &rst
  ixpk= 9819, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 677,
 &end
#
#   46 PHE  HA           47 PHE  HN          5.00    (#   9821:19   Unique)
 &rst
  ixpk= 9821, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          47 PHE  HN          3.30    (#   9822:19   Unique)
 &rst
  ixpk= 9822, iat= 665, 661, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   55 HIS  HN           57 GLN  HN          5.00    (#   9825:19   Unique)
 &rst
  ixpk= 9825, iat= 779, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           57 GLN  HN          5.00    (#   9829:19   Unique)
 &rst
  ixpk= 9829, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           57 GLN  HN          5.00    (#   9830:19   Unique)
 &rst
  ixpk= 9830, iat= 775, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           57 GLN  HN          2.70    (#   9831:19   Unique)
 &rst
  ixpk= 9831, iat= 808, 806, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   53 CYS  HB1          57 GLN  HN          6.00    (#   9832:19   Unique)
 &rst
  ixpk= 9832, iat= 760, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:9833    57 GLN  HN          5.00    (#   9833:19   Single Ambig)
 &rst
  ixpk= 9833, iat= 810, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         57 GLN  HN          5.00    (#   9835:19   Unique)
 &rst
  ixpk= 9835, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   27 GLN  HA           27 GLN  HN          5.00    (#   10011:19   Unique)
 &rst
  ixpk= 10011, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HB           27 GLN  HN          5.00    (#   10013:19   Unique)
 &rst
  ixpk= 10013, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HG1          27 GLN  HN          5.00    (#   10014:19   Unique)
 &rst
  ixpk= 10014, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 380,
 &end
#
#    0 AMB  19-2:10015   47 PHE  HN          5.00    (#   10015:19   Single Ambig)
 &rst
  ixpk= 10015, iat= 641, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          47 PHE  HN          5.00    (#   10017:19   Unique)
 &rst
  ixpk= 10017, iat= 666, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HB-          47 PHE  HN          6.00    (#   10018:19   Unique)
 &rst
  ixpk= 10018, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   21 GLY  HN           20 SER  HN          5.00    (#   10300:19   Unique)
 &rst
  ixpk= 10300, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           20 SER  HN          5.00    (#   10305:19   Unique)
 &rst
  ixpk= 10305, iat= 294, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           20 SER  HN          5.00    (#   10306:19   Unique)
 &rst
  ixpk= 10306, iat= 265, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           20 SER  HN          5.00    (#   10307:19   Unique)
 &rst
  ixpk= 10307, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10308   20 SER  HN          5.00    (#   10308:19   Single Ambig)
 &rst
  ixpk= 10308, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 291, 300, 301,
 &end
#
#   17 CYS  HB3          20 SER  HN          5.00    (#   10309:19   Unique)
 &rst
  ixpk= 10309, iat= 258, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          20 SER  HN          5.00    (#   10310:19   Unique)
 &rst
  ixpk= 10310, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   33 THR  HN           34 CYS  HN          5.00    (#   10312:19   Unique)
 &rst
  ixpk= 10312, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HN          5.00    (#   10314:19   Unique)
 &rst
  ixpk= 10314, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10315   34 CYS  HN          5.00    (#   10315:19   Single Ambig)
 &rst
  ixpk= 10315, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 484,
 &end
#
#   33 THR  HB           34 CYS  HN          5.00    (#   10316:19   Unique)
 &rst
  ixpk= 10316, iat= 462, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB3          34 CYS  HN          5.00    (#   10317:19   Unique)
 &rst
  ixpk= 10317, iat= 477, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10318   34 CYS  HN          5.00    (#   10318:19   Single Ambig)
 &rst
  ixpk= 10318, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 439, 760,
 &end
#
#   34 CYS  HB2          34 CYS  HN          5.00    (#   10319:19   Unique)
 &rst
  ixpk= 10319, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         34 CYS  HN          5.00    (#   10321:19   Unique)
 &rst
  ixpk= 10321, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   38 GLY  HN           37 SER  HN          5.00    (#   10452:19   Unique)
 &rst
  ixpk= 10452, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           37 SER  HN          5.00    (#   10453:19   Unique)
 &rst
  ixpk= 10453, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HA1          37 SER  HN          5.00    (#   10458:19   Unique)
 &rst
  ixpk= 10458, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#    0 AMB  19-2:10459   37 SER  HN          5.00    (#   10459:19   Single Ambig)
 &rst
  ixpk= 10459, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 484,
 &end
#
#   37 SER  HB1          37 SER  HN          3.30    (#   10460:19   Unique)
 &rst
  ixpk= 10460, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 510, 511,
 &end
#
#    0 AMB  19-2:10461   37 SER  HN          5.00    (#   10461:19   Single Ambig)
 &rst
  ixpk= 10461, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 486,
 &end
#
#   74 GLY  HN           75 ARG  HN          5.00    (#   10466:19   Unique)
 &rst
  ixpk= 10466, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           75 ARG  HN          6.00    (#   10467:19   Unique)
 &rst
  ixpk= 10467, iat=1089,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           75 ARG  HN          5.00    (#   10472:19   Unique)
 &rst
  ixpk= 10472, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10473   75 ARG  HN          5.00    (#   10473:19   Single Ambig)
 &rst
  ixpk= 10473, iat=1043,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10474   75 ARG  HN          5.00    (#   10474:19   Single Ambig)
 &rst
  ixpk= 10474, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#    0 AMB  19-2:10475   75 ARG  HN          5.00    (#   10475:19   Single Ambig)
 &rst
  ixpk= 10475, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB3          75 ARG  HN          5.00    (#   10476:19   Unique)
 &rst
  ixpk= 10476, iat=1012,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          75 ARG  HN          5.00    (#   10477:19   Unique)
 &rst
  ixpk= 10477, iat=1011,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB2          75 ARG  HN          5.00    (#   10478:19   Unique)
 &rst
  ixpk= 10478, iat=1069,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10479   75 ARG  HN          5.00    (#   10479:19   Single Ambig)
 &rst
  ixpk= 10479, iat=1070,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          75 ARG  HN          6.00    (#   10480:19   Unique)
 &rst
  ixpk= 10480, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   77 GLU  HN           76 VAL  HN          6.00    (#   10920:19   Unique)
 &rst
  ixpk= 10920, iat=1105,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 PRO  HA           10 THR  HN          3.30    (#   10927:19   Unique)
 &rst
  ixpk= 10927, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 THR  HA           10 THR  HN          5.00    (#   10928:19   Unique)
 &rst
  ixpk= 10928, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           10 THR  HN          5.00    (#   10929:19   Unique)
 &rst
  ixpk= 10929, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10930   10 THR  HN          5.00    (#   10930:19   Single Ambig)
 &rst
  ixpk= 10930, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#    0 AMB  19-2:10932   10 THR  HN          5.00    (#   10932:19   Single Ambig)
 &rst
  ixpk= 10932, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#   10 THR  HG21         10 THR  HN          5.00    (#   10933:19   Unique)
 &rst
  ixpk= 10933, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 158, 159, 160,
 &end
#
#   16 VAL  HN           17 CYS  HN          5.00    (#   10934:19   Unique)
 &rst
  ixpk= 10934, iat= 237, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HN          5.00    (#   10937:19   Unique)
 &rst
  ixpk= 10937, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA           17 CYS  HN          5.00    (#   10939:19   Unique)
 &rst
  ixpk= 10939, iat= 239, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          17 CYS  HN          5.00    (#   10940:19   Unique)
 &rst
  ixpk= 10940, iat= 258, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB2          17 CYS  HN          5.00    (#   10942:19   Unique)
 &rst
  ixpk= 10942, iat= 257, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HB           17 CYS  HN          5.00    (#   10944:19   Unique)
 &rst
  ixpk= 10944, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10945   17 CYS  HN          5.00    (#   10945:19   Single Ambig)
 &rst
  ixpk= 10945, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   14 CYS  HN           76 VAL  HN          5.00    (#   11083:19   Unique)
 &rst
  ixpk= 11083, iat= 215,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HA           76 VAL  HN          3.30    (#   11084:19   Unique)
 &rst
  ixpk= 11084, iat=1067,1089, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HA           76 VAL  HN          6.00    (#   11085:19   Unique)
 &rst
  ixpk= 11085, iat= 168,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           76 VAL  HN          5.00    (#   11086:19   Unique)
 &rst
  ixpk= 11086, iat=1091,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11088   76 VAL  HN          5.00    (#   11088:19   Single Ambig)
 &rst
  ixpk= 11088, iat=1093,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB2          76 VAL  HN          5.00    (#   11089:19   Unique)
 &rst
  ixpk= 11089, iat=1069,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11090   76 VAL  HN          5.00    (#   11090:19   Single Ambig)
 &rst
  ixpk= 11090, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1070,1072,1073,
 &end
#
#   76 VAL  MGY          76 VAL  HN          5.00    (#   11092:19   Unique)
 &rst
  ixpk= 11092, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   55 HIS  HA           56 CYS  HN          5.00    (#   11238:19   Unique)
 &rst
  ixpk= 11238, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11239   56 CYS  HN          5.00    (#   11239:19   Single Ambig)
 &rst
  ixpk= 11239, iat= 808, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HN          6.00    (#   11241:19   Unique)
 &rst
  ixpk= 11241, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  19-2:11546   38 GLY  HN          5.00    (#   11546:19   Single Ambig)
 &rst
  ixpk= 11546, iat= 508, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          38 GLY  HN          5.00    (#   11547:19   Unique)
 &rst
  ixpk= 11547, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           38 GLY  HN          6.00    (#   11550:19   Unique)
 &rst
  ixpk= 11550, iat= 499, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLN  HN           38 GLY  HN          5.00    (#   11551:19   Unique)
 &rst
  ixpk= 11551, iat= 524, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HN           38 GLY  HN          5.00    (#   11552:19   Unique)
 &rst
  ixpk= 11552, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           38 GLY  HN          5.00    (#   11553:19   Unique)
 &rst
  ixpk= 11553, iat= 474, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          38 GLY  HN          5.00    (#   11554:19   Unique)
 &rst
  ixpk= 11554, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   38 GLY  HA2          38 GLY  HN          3.30    (#   11555:19   Unique)
 &rst
  ixpk= 11555, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 519, 520,
 &end
#
#   55 HIS  HN           56 CYS  HN          3.30    (#   11560:19   Unique)
 &rst
  ixpk= 11560, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   56 CYS  HA           56 CYS  HN          5.00    (#   11564:19   Unique)
 &rst
  ixpk= 11564, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11565   56 CYS  HN          5.00    (#   11565:19   Single Ambig)
 &rst
  ixpk= 11565, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 783, 784, 800,
 &end
#
#   53 CYS  HB1          56 CYS  HN          5.00    (#   11566:19   Unique)
 &rst
  ixpk= 11566, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB2          56 CYS  HN          5.00    (#   11567:19   Unique)
 &rst
  ixpk= 11567, iat= 783, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          56 CYS  HN          5.00    (#   11568:19   Unique)
 &rst
  ixpk= 11568, iat= 801, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HA           45 GLY  HN          5.00    (#   11784:19   Unique)
 &rst
  ixpk= 11784, iat= 619, 634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HN           70 CYS  HN          3.30    (#   11786:19   Unique)
 &rst
  ixpk= 11786, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   70 CYS  HA           70 CYS  HN          5.00    (#   11789:19   Unique)
 &rst
  ixpk= 11789, iat=1009,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           70 CYS  HN          5.00    (#   11790:19   Unique)
 &rst
  ixpk= 11790, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB3          70 CYS  HN          5.00    (#   11791:19   Unique)
 &rst
  ixpk= 11791, iat=1012,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          70 CYS  HN          5.00    (#   11792:19   Unique)
 &rst
  ixpk= 11792, iat=1011,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB2          70 CYS  HN          5.00    (#   11794:19   Unique)
 &rst
  ixpk= 11794, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          70 CYS  HN          5.00    (#   11795:19   Unique)
 &rst
  ixpk= 11795, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG1          70 CYS  HN          5.00    (#   11796:19   Unique)
 &rst
  ixpk= 11796, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   22 ALA  HN           21 GLY  HN          5.00    (#   11959:19   Unique)
 &rst
  ixpk= 11959, iat= 305, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           21 GLY  HN          5.00    (#   11960:19   Unique)
 &rst
  ixpk= 11960, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           21 GLY  HN          5.00    (#   11961:19   Unique)
 &rst
  ixpk= 11961, iat= 255, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           21 GLY  HN          5.00    (#   11962:19   Unique)
 &rst
  ixpk= 11962, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11964   21 GLY  HN          5.00    (#   11964:19   Single Ambig)
 &rst
  ixpk= 11964, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 300, 301,1060,1061, 291,
 &end
#
#   17 CYS  HB3          21 GLY  HN          5.00    (#   11965:19   Unique)
 &rst
  ixpk= 11965, iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11966   21 GLY  HN          3.30    (#   11966:19   Single Ambig)
 &rst
  ixpk= 11966, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB2          21 GLY  HN          5.00    (#   11967:19   Unique)
 &rst
  ixpk= 11967, iat= 257, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          21 GLY  HN          6.00    (#   11969:19   Unique)
 &rst
  ixpk= 11969, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   53 CYS  HN           40 VAL  HN          5.00    (#   11972:19   Unique)
 &rst
  ixpk= 11972, iat= 755, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           40 VAL  HN          2.70    (#   11973:19   Unique)
 &rst
  ixpk= 11973, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   40 VAL  HA           40 VAL  HN          5.00    (#   11974:19   Unique)
 &rst
  ixpk= 11974, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 GLY  HA2          45 GLY  HN          6.00    (#   11975:19   Unique)
 &rst
  ixpk= 11975, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 636, 637,
 &end
#
#   67 CYS  HB3          70 CYS  HN          5.00    (#   11978:19   Unique)
 &rst
  ixpk= 11978, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11981   70 CYS  HN          6.00    (#   11981:19   Single Ambig)
 &rst
  ixpk= 11981, iat=1019,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:12112   40 VAL  HN          5.00    (#   12112:19   Single Ambig)
 &rst
  ixpk= 12112, iat= 743, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HG1          40 VAL  HN          6.00    (#   12113:19   Unique)
 &rst
  ixpk= 12113, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 731, 732,
 &end
#
#    0 AMB  19-2:12114   40 VAL  HN          5.00    (#   12114:19   Single Ambig)
 &rst
  ixpk= 12114, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 759, 545,
 &end
#
#    0 AMB  19-2:12115   40 VAL  HN          3.30    (#   12115:19   Single Ambig)
 &rst
  ixpk= 12115, iat= 528, 541, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HB3          40 VAL  HN          5.00    (#   12116:19   Unique)
 &rst
  ixpk= 12116, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  MG1          40 VAL  HN          5.00    (#   12117:19   Unique)
 &rst
  ixpk= 12117, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HN          3.30    (#   12118:19   Unique)
 &rst
  ixpk= 12118, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 551, 552, 553,
 &end
#
#   24 PRO  HA           26 THR  HN          5.00    (#   12229:19   Unique)
 &rst
  ixpk= 12229, iat= 347, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HB           26 THR  HN          5.00    (#   12230:19   Unique)
 &rst
  ixpk= 12230, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          26 THR  HN          5.00    (#   12231:19   Unique)
 &rst
  ixpk= 12231, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HG21         26 THR  HN          5.00    (#   12232:19   Unique)
 &rst
  ixpk= 12232, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   54 PRO  HA           57 GLN  HE21        6.00    (#   12244:19   Unique)
 &rst
  ixpk= 12244, iat= 775, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 CYS  HA           57 GLN  HE22        6.00    (#   12257:19   Unique)
 &rst
  ixpk= 12257, iat= 798, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ASN  HB1          68 ASN  HD21        5.00    (#   12423:19   Unique)
 &rst
  ixpk= 12423, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   27 GLN  HG1          27 GLN  HE21        6.00    (#   12425:19   Unique)
 &rst
  ixpk= 12425, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   68 ASN  HB1          68 ASN  HD22        6.00    (#   12433:19   Unique)
 &rst
  ixpk= 12433, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 975, 976,
 &end
#
#   41 GLN  HG1          41 GLN  HE21        5.00    (#   12613:19   Unique)
 &rst
  ixpk= 12613, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  HG2          41 GLN  HE21        5.00    (#   12614:19   Unique)
 &rst
  ixpk= 12614, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  QB           41 GLN  HE21        6.00    (#   12615:19   Unique)
 &rst
  ixpk= 12615, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 562,
 &end
#
#   48 ALA  HB1          41 GLN  HE21        6.00    (#   12616:19   Unique)
 &rst
  ixpk= 12616, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 685, 686, 687,
 &end
#
#   73 HIS  HN           74 GLY  HN          5.00    (#   13201:19   Unique)
 &rst
  ixpk= 13201, iat=1041,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           74 GLY  HN          5.00    (#   13202:19   Unique)
 &rst
  ixpk= 13202, iat=1065,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA2          74 GLY  HN          5.00    (#   13203:19   Unique)
 &rst
  ixpk= 13203, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   70 CYS  HB2          74 GLY  HN          5.00    (#   13204:19   Unique)
 &rst
  ixpk= 13204, iat=1011,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:13226   51 GLN  HE21        5.00    (#   13226:19   Single Ambig)
 &rst
  ixpk= 13226, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#   40 VAL  MG1          51 GLN  HE21        6.00    (#   13227:19   Unique)
 &rst
  ixpk= 13227, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#    0 AMB  19-2:13388   74 GLY  HN          6.00    (#   13388:19   Single Ambig)
 &rst
  ixpk= 13388, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1036,1037,1009,
 &end
#
#   73 HIS  HA           74 GLY  HN          5.00    (#   13389:19   Unique)
 &rst
  ixpk= 13389, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:13390   74 GLY  HN          5.00    (#   13390:19   Single Ambig)
 &rst
  ixpk= 13390, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#   70 CYS  HB3          74 GLY  HN          5.00    (#   13391:19   Unique)
 &rst
  ixpk= 13391, iat=1012,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HG1          44 GLN  HE21        5.00    (#   13403:19   Unique)
 &rst
  ixpk= 13403, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#   44 GLN  HG1          44 GLN  HE22        5.00    (#   13409:19   Unique)
 &rst
  ixpk= 13409, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#   59 ARG  HN           60 GLY  HN          5.00    (#   13719:19   Unique)
 &rst
  ixpk= 13719, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HN           60 GLY  HN          5.00    (#   13720:19   Unique)
 &rst
  ixpk= 13720, iat= 861, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          60 GLY  HN          5.00    (#   13722:19   Unique)
 &rst
  ixpk= 13722, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   60 GLY  HA2          60 GLY  HN          3.30    (#   13723:19   Unique)
 &rst
  ixpk= 13723, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 856, 857,
 &end
#
#   56 CYS  HB1          60 GLY  HN          5.00    (#   13724:19   Unique)
 &rst
  ixpk= 13724, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:13725   60 GLY  HN          5.00    (#   13725:19   Single Ambig)
 &rst
  ixpk= 13725, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 834, 835, 759,
 &end
#
#   60 GLY  HN           61 THR  HN          5.00    (#   14147:19   Unique)
 &rst
  ixpk= 14147, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HN          5.00    (#   14152:19   Unique)
 &rst
  ixpk= 14152, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           61 THR  HN          5.00    (#   14153:19   Unique)
 &rst
  ixpk= 14153, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          61 THR  HN          5.00    (#   14154:19   Unique)
 &rst
  ixpk= 14154, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#    0 AMB  19-2:14155   61 THR  HN          5.00    (#   14155:19   Single Ambig)
 &rst
  ixpk= 14155, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 865, 422,
 &end
#
#    0 AMB  19-2:14156   61 THR  HN          5.00    (#   14156:19   Single Ambig)
 &rst
  ixpk= 14156, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 800,
 &end
#
#   56 CYS  HB1          61 THR  HN          5.00    (#   14157:19   Unique)
 &rst
  ixpk= 14157, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           61 THR  HN          3.30    (#   14158:19   Unique)
 &rst
  ixpk= 14158, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          61 THR  HN          5.00    (#   14159:19   Unique)
 &rst
  ixpk= 14159, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  19-2:14160   61 THR  HN          5.00    (#   14160:19   Single Ambig)
 &rst
  ixpk= 14160, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 837, 838, 396, 397,
 &end
#
#   61 THR  HG21         61 THR  HN          5.00    (#   14161:19   Unique)
 &rst
  ixpk= 14161, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   38 GLY  HN           36 GLY  HN          6.00    (#   14687:19   Unique)
 &rst
  ixpk= 14687, iat= 517, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HN           36 GLY  HN          5.00    (#   14689:19   Unique)
 &rst
  ixpk= 14689, iat= 506, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:14690   36 GLY  HN          5.00    (#   14690:19   Single Ambig)
 &rst
  ixpk= 14690, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#   36 GLY  HA1          36 GLY  HN          5.00    (#   14691:19   Unique)
 &rst
  ixpk= 14691, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   36 GLY  HA2          36 GLY  HN          5.00    (#   14692:19   Unique)
 &rst
  ixpk= 14692, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   35 HIS  HA           36 GLY  HN          5.00    (#   14693:19   Unique)
 &rst
  ixpk= 14693, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          36 GLY  HN          5.00    (#   14694:19   Unique)
 &rst
  ixpk= 14694, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#    0 AMB  19-2:14696   36 GLY  HN          5.00    (#   14696:19   Single Ambig)
 &rst
  ixpk= 14696, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 487,
 &end
#
#   31 CYS  HB3          36 GLY  HN          5.00    (#   14697:19   Unique)
 &rst
  ixpk= 14697, iat= 439, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          36 GLY  HN          5.00    (#   14698:19   Unique)
 &rst
  ixpk= 14698, iat= 438, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         36 GLY  HN          5.00    (#   14699:19   Unique)
 &rst
  ixpk= 14699, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   60 GLY  HN           58 GLY  HN          6.00    (#   14950:19   Unique)
 &rst
  ixpk= 14950, iat= 854, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  HN           58 GLY  HN          5.00    (#   14953:19   Unique)
 &rst
  ixpk= 14953, iat= 830, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          58 GLY  HN          3.30    (#   14954:19   Unique)
 &rst
  ixpk= 14954, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 825, 826,
 &end
#
#   57 GLN  HA           58 GLY  HN          5.00    (#   14955:19   Unique)
 &rst
  ixpk= 14955, iat= 808, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HB1          58 GLY  HN          5.00    (#   14958:19   Unique)
 &rst
  ixpk= 14958, iat= 760, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:14959   58 GLY  HN          5.00    (#   14959:19   Single Ambig)
 &rst
  ixpk= 14959, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 810, 813, 814, 813, 814,
 &end
#
#   53 CYS  HB2          58 GLY  HN          5.00    (#   14960:19   Unique)
 &rst
  ixpk= 14960, iat= 759, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         58 GLY  HN          5.00    (#   14961:19   Unique)
 &rst
  ixpk= 14961, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   72 GLY  HA1          72 GLY  HN          3.30    (#   15175:19   Unique)
 &rst
  ixpk= 15175, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1036,1037,
 &end
#
#    0 AMB  19-2:15176   72 GLY  HN          5.00    (#   15176:19   Single Ambig)
 &rst
  ixpk= 15176, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019, 957,
 &end
#
#   72 GLY  HA2          72 GLY  HN          5.00    (#   15177:19   Unique)
 &rst
  ixpk= 15177, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#    0 AMB  19-2:15179   72 GLY  HN          5.00    (#   15179:19   Single Ambig)
 &rst
  ixpk= 15179, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,1021,1022,
 &end
#
#   67 CYS  HB3          72 GLY  HN          5.00    (#   15180:19   Unique)
 &rst
  ixpk= 15180, iat= 966,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          72 GLY  HN          5.00    (#   15181:19   Unique)
 &rst
  ixpk= 15181, iat= 965,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HN           19 GLY  HN          5.00    (#   15304:19   Unique)
 &rst
  ixpk= 15304, iat= 263, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:15306   19 GLY  HN          5.00    (#   15306:19   Single Ambig)
 &rst
  ixpk= 15306, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 282, 283, 265,
 &end
#
#    0 AMB  19-2:15308   19 GLY  HN          5.00    (#   15308:19   Single Ambig)
 &rst
  ixpk= 15308, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 267, 268,1060,1061,
 &end
#
#   14 CYS  HB3          19 GLY  HN          5.00    (#   15309:19   Unique)
 &rst
  ixpk= 15309, iat= 220, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:15310   19 GLY  HN          5.00    (#   15310:19   Single Ambig)
 &rst
  ixpk= 15310, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 219, 207, 208,
 &end
#
#   55 HIS  HN           55 HIS  HB1         5.00    (#     84:29   Unique)
 &rst
  ixpk= 84, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   56 CYS  HN           55 HIS  HB1         5.00    (#     85:29   Unique)
 &rst
  ixpk= 85, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   33 THR  HB           55 HIS  HB1         5.00    (#     87:29   Unique)
 &rst
  ixpk= 87, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   55 HIS  HA           55 HIS  HB1         3.30    (#     91:29   Unique)
 &rst
  ixpk= 91, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 783, 784,
 &end
#
#   55 HIS  HN           55 HIS  HB2         5.00    (#     97:29   Unique)
 &rst
  ixpk= 97, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           55 HIS  HB2         5.00    (#     98:29   Unique)
 &rst
  ixpk= 98, iat= 796, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HB2         5.00    (#    100:29   Unique)
 &rst
  ixpk= 100, iat= 781, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         55 HIS  HB2         5.00    (#    104:29   Unique)
 &rst
  ixpk= 104, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   29 GLN  HB1          29 GLN  HG1         5.00    (#    112:29   Unique)
 &rst
  ixpk= 112, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 407, 408,
 igr2= 410, 411,
 &end
#
#    0 AMB  29-2:119     27 GLN  HG1         5.00    (#    119:29   Single Ambig)
 &rst
  ixpk= 119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 379, 380,
 &end
#
#   51 GLN  HA           51 GLN  HG1         5.00    (#    126:29   Unique)
 &rst
  ixpk= 126, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 731, 732,
 &end
#
#   50 GLN  HG2          51 GLN  HG1         5.00    (#    127:29   Unique)
 &rst
  ixpk= 127, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715,
 igr2= 731, 732,
 &end
#
#   39 GLN  HB3          39 GLN  HG1         5.00    (#    135:29   Unique)
 &rst
  ixpk= 135, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#   39 GLN  HB3          39 GLN  HG2         5.00    (#    142:29   Unique)
 &rst
  ixpk= 142, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#   39 GLN  HA           39 GLN  HB2         5.00    (#    148:29   Unique)
 &rst
  ixpk= 148, iat= 526, 528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:149      0 AMB  29-1:149    3.30    (#    149:29   Double Ambig)
 &rst
  ixpk= 149, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=  68,  69,
 igr2=  43,  44,
 &end
#
#   39 GLN  HN           39 GLN  HB3         5.00    (#    151:29   Unique)
 &rst
  ixpk= 151, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:153     39 GLN  HB3         5.00    (#    153:29   Single Ambig)
 &rst
  ixpk= 153, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   39 GLN  HG2          39 GLN  HB3         5.00    (#    154:29   Unique)
 &rst
  ixpk= 154, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   29 GLN  HB2          29 GLN  HG1         5.00    (#    360:29   Unique)
 &rst
  ixpk= 360, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#   27 GLN  HN           27 GLN  HG1         5.00    (#    362:29   Unique)
 &rst
  ixpk= 362, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#   27 GLN  HA           27 GLN  HG1         5.00    (#    364:29   Unique)
 &rst
  ixpk= 364, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#   27 GLN  HB2          27 GLN  HG1         3.30    (#    368:29   Unique)
 &rst
  ixpk= 368, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 379, 380,
 &end
#
#   50 GLN  HN           50 GLN  HG1         5.00    (#    372:29   Unique)
 &rst
  ixpk= 372, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#    0 AMB  29-2:373     50 GLN  HG1         6.00    (#    373:29   Single Ambig)
 &rst
  ixpk= 373, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 559, 726,
 igr2= 714, 715,
 &end
#
#   50 GLN  HN           50 GLN  HG2         5.00    (#    379:29   Unique)
 &rst
  ixpk= 379, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#    0 AMB  29-2:380     50 GLN  HG2         6.00    (#    380:29   Single Ambig)
 &rst
  ixpk= 380, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 559, 726,
 igr2= 714, 715,
 &end
#
#    4 LYS  HG1           4 LYS  QB          3.30    (#    384:29   Unique)
 &rst
  ixpk= 384, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=  46,  47,
 igr2=  43,  44,
 &end
#
#   49 VAL  MG1          50 GLN  HG1         5.00    (#    547:29   Unique)
 &rst
  ixpk= 547, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 697, 698, 699,
 igr2= 714, 715,
 &end
#
#   12 GLU  HN           12 GLU  HB1         5.00    (#    548:29   Unique)
 &rst
  ixpk= 548, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   13 GLU  HN           12 GLU  HB1         5.00    (#    549:29   Unique)
 &rst
  ixpk= 549, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB1         5.00    (#    550:29   Unique)
 &rst
  ixpk= 550, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HN           12 GLU  HB2         5.00    (#    554:29   Unique)
 &rst
  ixpk= 554, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB2         5.00    (#    555:29   Unique)
 &rst
  ixpk= 555, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#    0 AMB  29-2:556     12 GLU  HB2         3.30    (#    556:29   Single Ambig)
 &rst
  ixpk= 556, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 192, 193,
 igr2= 189, 190,
 &end
#
#    0 AMB  29-2:714     23 LYS  QB          5.00    (#    714:29   Single Ambig)
 &rst
  ixpk= 714, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 315, 358,
 igr2= 319, 320,
 &end
#
#   23 LYS  HA           23 LYS  QB          3.30    (#    715:29   Unique)
 &rst
  ixpk= 715, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 319, 320,
 &end
#
#   24 PRO  HD2          23 LYS  QB          5.00    (#    716:29   Unique)
 &rst
  ixpk= 716, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 319, 320,
 &end
#
#   65 ASP  HB2          23 LYS  QB          5.00    (#    718:29   Unique)
 &rst
  ixpk= 718, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 319, 320,
 &end
#
#    0 AMB  29-2:720     23 LYS  QB          5.00    (#    720:29   Single Ambig)
 &rst
  ixpk= 720, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 364, 365, 366, 309, 310, 311,
 igr2= 319, 320,
 &end
#
#    9 PRO  HD2           9 PRO  HB1         5.00    (#    860:29   Unique)
 &rst
  ixpk= 860, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 145, 146,
 &end
#
#   28 PRO  HD1          28 PRO  HB1         5.00    (#    862:29   Unique)
 &rst
  ixpk= 862, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 396, 397,
 &end
#
#   69 LYS  HN           69 LYS  HB2         5.00    (#    865:29   Unique)
 &rst
  ixpk= 865, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HN           64 LYS  HB+         5.00    (#    869:29   Unique)
 &rst
  ixpk= 869, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 917, 918,
 &end
#
#   65 ASP  HN           64 LYS  HB+         5.00    (#    870:29   Unique)
 &rst
  ixpk= 870, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 917, 918,
 &end
#
#    0 AMB  29-2:872      0 AMB  29-1:872    3.30    (#    872:29   Double Ambig)
 &rst
  ixpk= 872, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 987, 915,
 igr2= 989, 917, 918,
 &end
#
#   69 LYS  HN           69 LYS  HB3         5.00    (#    878:29   Unique)
 &rst
  ixpk= 878, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HB3         5.00    (#    879:29   Unique)
 &rst
  ixpk= 879, iat= 987, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:881     23 LYS  QB          5.00    (#    881:29   Single Ambig)
 &rst
  ixpk= 881, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339, 963,
 igr2= 319, 320,
 &end
#
#    9 PRO  HA            9 PRO  HB1         2.70    (#   1002:29   Unique)
 &rst
  ixpk= 1002, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 145, 146,
 &end
#
#    0 AMB  29-2:1006    28 PRO  HB1         5.00    (#   1006:29   Single Ambig)
 &rst
  ixpk= 1006, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   28 PRO  HA           28 PRO  HB1         3.30    (#   1007:29   Unique)
 &rst
  ixpk= 1007, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 396, 397,
 &end
#
#   61 THR  HB           28 PRO  HB1         3.30    (#   1008:29   Unique)
 &rst
  ixpk= 1008, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB1         5.00    (#   1009:29   Unique)
 &rst
  ixpk= 1009, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#   63 ILE  HD11         28 PRO  HB1         5.00    (#   1011:29   Unique)
 &rst
  ixpk= 1011, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 396, 397,
 &end
#
#   17 CYS  HN           16 VAL  HB          5.00    (#   1013:29   Unique)
 &rst
  ixpk= 1013, iat= 253, 241, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1014    16 VAL  HB          2.70    (#   1014:29   Single Ambig)
 &rst
  ixpk= 1014, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   70 CYS  HN           69 LYS  HB2         5.00    (#   1015:29   Unique)
 &rst
  ixpk= 1015, iat=1007, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HA            9 PRO  HB2         5.00    (#   1016:29   Unique)
 &rst
  ixpk= 1016, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 145, 146,
 &end
#
#    0 AMB  29-2:1019     0 AMB  29-1:1019   5.00    (#   1019:29   Double Ambig)
 &rst
  ixpk= 1019, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 390, 391, 139, 140,
 igr2= 396, 397, 145, 146,
 &end
#
#   61 THR  HB           28 PRO  HB2         5.00    (#   1020:29   Unique)
 &rst
  ixpk= 1020, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   28 PRO  HG2          28 PRO  HB2         2.70    (#   1023:29   Unique)
 &rst
  ixpk= 1023, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB2         5.00    (#   1024:29   Unique)
 &rst
  ixpk= 1024, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#    0 AMB  29-2:1026    69 LYS  HB3         5.00    (#   1026:29   Single Ambig)
 &rst
  ixpk= 1026, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   40 VAL  MG1          34 CYS  HB3         5.00    (#   1146:29   Unique)
 &rst
  ixpk= 1146, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   72 GLY  HA2          70 CYS  HB3         6.00    (#   1150:29   Unique)
 &rst
  ixpk= 1150, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1036,1037,
 &end
#
#   39 GLN  HN           34 CYS  HB2         5.00    (#   1157:29   Unique)
 &rst
  ixpk= 1157, iat= 524, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1159     0 AMB  29-1:1159   3.30    (#   1159:29   Double Ambig)
 &rst
  ixpk= 1159, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 445, 446, 766, 767,
 igr2= 451, 452, 772, 773,
 &end
#
#   32 PRO  HA           32 PRO  HB2         2.70    (#   1162:29   Unique)
 &rst
  ixpk= 1162, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 451, 452,
 &end
#
#   16 VAL  HN           16 VAL  HB          5.00    (#   1166:29   Unique)
 &rst
  ixpk= 1166, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1167    16 VAL  HB          3.30    (#   1167:29   Single Ambig)
 &rst
  ixpk= 1167, iat= 239, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 GLY  HN           34 CYS  HB3         5.00    (#   1290:29   Unique)
 &rst
  ixpk= 1290, iat= 517, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HN           34 CYS  HB3         5.00    (#   1291:29   Unique)
 &rst
  ixpk= 1291, iat= 524, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HB3         5.00    (#   1293:29   Unique)
 &rst
  ixpk= 1293, iat= 474, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HB2          34 CYS  HB3         5.00    (#   1297:29   Unique)
 &rst
  ixpk= 1297, iat= 759, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1300     0 AMB  29-1:1300   3.30    (#   1300:29   Double Ambig)
 &rst
  ixpk= 1300, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1045,1046,
 &end
#
#   75 ARG  HN            0 AMB  29-1:1301   5.00    (#   1301:29   Single Ambig)
 &rst
  ixpk= 1301, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#    0 AMB  29-2:1302     0 AMB  29-1:1302   5.00    (#   1302:29   Double Ambig)
 &rst
  ixpk= 1302, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#   74 GLY  HN           70 CYS  HB3         5.00    (#   1305:29   Unique)
 &rst
  ixpk= 1305, iat=1058,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           70 CYS  HB3         5.00    (#   1308:29   Unique)
 &rst
  ixpk= 1308, iat=1009,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          70 CYS  HB3         5.00    (#   1310:29   Unique)
 &rst
  ixpk= 1310, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   53 CYS  HA           53 CYS  HB1         5.00    (#   1312:29   Unique)
 &rst
  ixpk= 1312, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1317    17 CYS  HB2         5.00    (#   1317:29   Single Ambig)
 &rst
  ixpk= 1317, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 280, 305,
 &end
#
#   17 CYS  HA           17 CYS  HB2         5.00    (#   1318:29   Unique)
 &rst
  ixpk= 1318, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1322     0 AMB  29-1:1322   5.00    (#   1322:29   Double Ambig)
 &rst
  ixpk= 1322, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 472, 482,
 &end
#
#   34 CYS  HA           34 CYS  HB2         3.30    (#   1323:29   Unique)
 &rst
  ixpk= 1323, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1326     0 AMB  29-1:1326   3.30    (#   1326:29   Manually)
 &rst
  ixpk= 1326, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 759, 219,
 igr2= 476,1011,
 &end
#
#   38 GLY  HN           34 CYS  HB2         5.00    (#   1327:29   Unique)
 &rst
  ixpk= 1327, iat= 517, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           70 CYS  HB2         5.00    (#   1330:29   Unique)
 &rst
  ixpk= 1330, iat=1009,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1335     0 AMB  29-1:1335   5.00    (#   1335:29   Double Ambig)
 &rst
  ixpk= 1335, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 547, 548, 549,1095,1096,1097,1099,1100,1101,
 igr2= 476,1011,
 &end
#
#   42 MET  HN           42 MET  HG1         5.00    (#   1338:29   Unique)
 &rst
  ixpk= 1338, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#   42 MET  HA           42 MET  HG1         5.00    (#   1339:29   Unique)
 &rst
  ixpk= 1339, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#    0 AMB  29-2:1342     0 AMB  29-1:1342   3.30    (#   1342:29   Double Ambig)
 &rst
  ixpk= 1342, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 578, 579, 587, 588, 589,
 igr2= 581, 582, 581, 582,
 &end
#
#   42 MET  HN           42 MET  HG2         5.00    (#   1344:29   Unique)
 &rst
  ixpk= 1344, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#   54 PRO  HA           54 PRO  HB1         3.30    (#   1350:29   Unique)
 &rst
  ixpk= 1350, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 772, 773,
 &end
#
#   29 GLN  HN           29 GLN  HB1         5.00    (#   1352:29   Unique)
 &rst
  ixpk= 1352, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#    0 AMB  29-2:1354     0 AMB  29-1:1354   3.30    (#   1354:29   Double Ambig)
 &rst
  ixpk= 1354, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 834, 835,
 &end
#
#    0 AMB  29-2:1355    59 ARG  QB          5.00    (#   1355:29   Single Ambig)
 &rst
  ixpk= 1355, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 861,
 igr2= 834, 835,
 &end
#
#   59 ARG  HA           59 ARG  QB          2.70    (#   1356:29   Unique)
 &rst
  ixpk= 1356, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 834, 835,
 &end
#
#   32 PRO  HD1          32 PRO  HB2         3.30    (#   1357:29   Unique)
 &rst
  ixpk= 1357, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 445, 446,
 igr2= 451, 452,
 &end
#
#   29 GLN  HA           29 GLN  HB2         5.00    (#   1362:29   Unique)
 &rst
  ixpk= 1362, iat= 405, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HB3         3.30    (#   1526:29   Unique)
 &rst
  ixpk= 1526, iat= 255, 258, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1532     0 AMB  29-1:1532   8.00    (#   1532:29   Double Ambig)
 &rst
  ixpk= 1532, iat= 759, 800, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   62 LEU  HD21         56 CYS  HB2         5.00    (#   1533:29   Unique)
 &rst
  ixpk= 1533, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  29-2:1535     0 AMB  29-1:1535   2.70    (#   1535:29   Double Ambig)
 &rst
  ixpk= 1535, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 215, 434,
 igr2= 220, 439,
 &end
#
#    0 AMB  29-2:1536     0 AMB  29-1:1536   5.00    (#   1536:29   Double Ambig)
 &rst
  ixpk= 1536, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 482, 472, 253, 830,
 igr2= 439, 220, 760,
 &end
#
#    0 AMB  29-2:1540     0 AMB  29-1:1540   5.00    (#   1540:29   Double Ambig)
 &rst
  ixpk= 1540, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101, 547, 548, 549,
 igr2= 220, 760,
 &end
#
#   53 CYS  HN           53 CYS  HB1         3.30    (#   1541:29   Unique)
 &rst
  ixpk= 1541, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   31 CYS  HA           31 CYS  HB3         5.00    (#   1542:29   Unique)
 &rst
  ixpk= 1542, iat= 436, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          14 CYS  HB3         3.30    (#   1545:29   manually assigned 2/17/00)
 &rst
  ixpk= 1545, iat= 219, 220, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   17 CYS  HN           17 CYS  HB2         5.00    (#   1548:29   Unique)
 &rst
  ixpk= 1548, iat= 253, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1549    17 CYS  HB2         5.00    (#   1549:29   Single Ambig)
 &rst
  ixpk= 1549, iat= 965, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          56 CYS  HB1         5.00    (#   1558:29   Unique)
 &rst
  ixpk= 1558, iat= 438, 801, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HB1         5.00    (#   1559:29   Unique)
 &rst
  ixpk= 1559, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   24 PRO  HA           24 PRO  HB1         3.30    (#   1563:29   Unique)
 &rst
  ixpk= 1563, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#   29 GLN  HA           29 GLN  HB1         5.00    (#   1568:29   Unique)
 &rst
  ixpk= 1568, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#   60 GLY  HN            0 AMB  29-1:1569   5.00    (#   1569:29   Single Ambig)
 &rst
  ixpk= 1569, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 834, 835,
 &end
#
#   53 CYS  HN           53 CYS  HB2         5.00    (#   1570:29   Unique)
 &rst
  ixpk= 1570, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           53 CYS  HB2         3.30    (#   1573:29   Unique)
 &rst
  ixpk= 1573, iat= 757, 759, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1575     0 AMB  29-1:1575   2.70    (#   1575:29   Double Ambig)
 &rst
  ixpk= 1575, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 840, 841, 800,
 igr2= 834, 835, 759,
 &end
#
#    0 AMB  29-2:1576     0 AMB  29-1:1576   3.30    (#   1576:29   Double Ambig)
 &rst
  ixpk= 1576, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 476,1011,
 igr2= 759, 219,
 &end
#
#   40 VAL  MG1          53 CYS  HB2         5.00    (#   1579:29   Unique)
 &rst
  ixpk= 1579, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   31 CYS  HA           31 CYS  HB2         5.00    (#   1583:29   Unique)
 &rst
  ixpk= 1583, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1584    66 PRO  HB1         2.70    (#   1584:29   Single Ambig)
 &rst
  ixpk= 1584, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 954, 955,
 &end
#
#    0 AMB  29-2:1585     0 AMB  29-1:1585   3.30    (#   1585:29   Double Ambig)
 &rst
  ixpk= 1585, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 948, 949, 766, 767,
 igr2= 954, 955, 772, 773,
 &end
#
#    0 AMB  29-2:1586     0 AMB  29-1:1586   5.00    (#   1586:29   Double Ambig)
 &rst
  ixpk= 1586, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 948, 949, 477,
 igr2= 954, 955, 438,
 &end
#
#    0 AMB  29-2:1588     0 AMB  29-1:1588   5.00    (#   1588:29   Double Ambig)
 &rst
  ixpk= 1588, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 900, 901, 902, 888, 889, 890,
 igr2= 954, 955, 438,
 &end
#
#   24 PRO  HA           24 PRO  HB2         5.00    (#   1591:29   Unique)
 &rst
  ixpk= 1591, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 344, 345,
 &end
#
#    0 AMB  29-2:1593    66 PRO  HB2         3.30    (#   1593:29   Single Ambig)
 &rst
  ixpk= 1593, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 954, 955,
 &end
#
#    0 AMB  29-2:1735    14 CYS  HB3         3.30    (#   1735:29   Single Ambig)
 &rst
  ixpk= 1735, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 217,1060,1061,
 &end
#
#   14 CYS  HN           14 CYS  HB2         3.30    (#   1739:29   Unique)
 &rst
  ixpk= 1739, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1740    14 CYS  HB2         3.30    (#   1740:29   Single Ambig)
 &rst
  ixpk= 1740, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 217,1060,1061,
 &end
#
#   76 VAL  MGX          14 CYS  HB2         5.00    (#   1742:29   Unique)
 &rst
  ixpk= 1742, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:1743     0 AMB  29-1:1743   5.00    (#   1743:29   Double Ambig)
 &rst
  ixpk= 1743, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 igr2= 438, 772, 773,
 &end
#
#    0 AMB  29-2:1844    67 CYS  HB3         5.00    (#   1844:29   Single Ambig)
 &rst
  ixpk= 1844, iat= 961, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           67 CYS  HB3         5.00    (#   1846:29   Unique)
 &rst
  ixpk= 1846, iat= 963, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1849    67 CYS  HB2         5.00    (#   1849:29   Single Ambig)
 &rst
  ixpk= 1849, iat= 961, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1852    67 CYS  HB2         5.00    (#   1852:29   Single Ambig)
 &rst
  ixpk= 1852, iat= 957, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           67 CYS  HB2         5.00    (#   1853:29   Unique)
 &rst
  ixpk= 1853, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1954    67 CYS  HB3         5.00    (#   1954:29   Single Ambig)
 &rst
  ixpk= 1954, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019, 957,
 &end
#
#   17 CYS  HB2          67 CYS  HB2         5.00    (#   1957:29   Unique)
 &rst
  ixpk= 1957, iat= 257, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 ARG  HA           78 ARG  HB+         3.30    (#   1959:29   Unique)
 &rst
  ixpk= 1959, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   78 ARG  HN           78 ARG  HB-         5.00    (#   1960:29   Unique)
 &rst
  ixpk= 1960, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1124,1125,
 &end
#
#   78 ARG  HA           78 ARG  HB-         5.00    (#   1961:29   Unique)
 &rst
  ixpk= 1961, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1124,1125,
 &end
#
#   13 GLU  HN           13 GLU  HB1         5.00    (#   2117:29   Unique)
 &rst
  ixpk= 2117, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   13 GLU  HA           13 GLU  HB1         5.00    (#   2118:29   Unique)
 &rst
  ixpk= 2118, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#    0 AMB  29-2:2119     0 AMB  29-1:2119   5.00    (#   2119:29   Double Ambig)
 &rst
  ixpk= 2119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 200, 634,
 igr2= 204, 205, 597, 598,
 &end
#
#   13 GLU  HA           13 GLU  HB2         5.00    (#   2120:29   Unique)
 &rst
  ixpk= 2120, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   78 ARG  HD1          78 ARG  HB+         5.00    (#   2122:29   Unique)
 &rst
  ixpk= 2122, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1130,1131,
 igr2=1124,1125,
 &end
#
#   43 ARG  HA           43 ARG  HB+         5.00    (#   2124:29   Unique)
 &rst
  ixpk= 2124, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#    7 ARG  HA            7 ARG  QB          5.00    (#   2129:29   Unique)
 &rst
  ixpk= 2129, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  99, 100,
 &end
#
#    0 AMB  29-2:2264    43 ARG  HB-         5.00    (#   2264:29   Single Ambig)
 &rst
  ixpk= 2264, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 593, 617,
 igr2= 597, 598,
 &end
#
#   43 ARG  HA           43 ARG  HB-         5.00    (#   2265:29   Unique)
 &rst
  ixpk= 2265, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   2444:29   Unique)
 &rst
  ixpk= 2444, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   2445:29   Unique)
 &rst
  ixpk= 2445, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   27 GLN  HN           27 GLN  HB2         5.00    (#   2450:29   Unique)
 &rst
  ixpk= 2450, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   2451:29   Unique)
 &rst
  ixpk= 2451, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   2452:29   Unique)
 &rst
  ixpk= 2452, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   27 GLN  HG1          27 GLN  HB2         3.30    (#   2453:29   Unique)
 &rst
  ixpk= 2453, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 379, 380,
 &end
#
#    0 AMB  29-2:2575     0 AMB  29-1:2575   3.30    (#   2575:29   Double Ambig)
 &rst
  ixpk= 2575, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1105, 593,
 igr2=1109,1110, 561, 562,
 &end
#
#    0 AMB  29-2:2576     0 AMB  29-1:2576   3.30    (#   2576:29   Double Ambig)
 &rst
  ixpk= 2576, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=  61, 557,
 igr2=  65,  66, 561, 562,
 &end
#
#    0 AMB  29-2:2577     0 AMB  29-1:2577   3.30    (#   2577:29   Double Ambig)
 &rst
  ixpk= 2577, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1109,1110,
 &end
#
#    0 AMB  29-2:2580     0 AMB  29-1:2580   5.00    (#   2580:29   Double Ambig)
 &rst
  ixpk= 2580, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 551, 552, 553,
 igr2= 561, 562,
 &end
#
#   42 MET  HN            0 AMB  29-1:2581   5.00    (#   2581:29   Single Ambig)
 &rst
  ixpk= 2581, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 561, 562, 711, 712,
 &end
#
#   50 GLN  HA            0 AMB  29-1:2583   2.70    (#   2583:29   Single Ambig)
 &rst
  ixpk= 2583, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 711, 712,
 &end
#
#   41 GLN  HA            0 AMB  29-1:2584   2.70    (#   2584:29   Single Ambig)
 &rst
  ixpk= 2584, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 561, 562,
 &end
#
#    0 AMB  29-2:2587     0 AMB  29-1:2587   2.70    (#   2587:29   Double Ambig)
 &rst
  ixpk= 2587, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 564, 565,
 igr2= 561, 562,
 &end
#
#   44 GLN  HN           44 GLN  HB3         5.00    (#   2588:29   Unique)
 &rst
  ixpk= 2588, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HA           43 ARG  HB+         6.00    (#   2589:29   Manually 022100)
 &rst
  ixpk= 2589, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 597, 598,
 &end
#
#    0 AMB  29-2:2775     0 AMB  29-1:2775   5.00    (#   2775:29   Double Ambig)
 &rst
  ixpk= 2775, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 685, 686, 687, 992, 993,
 igr2= 561, 562, 995, 996,
 &end
#
#   44 GLN  HA           44 GLN  HB2         5.00    (#   2918:29   Unique)
 &rst
  ixpk= 2918, iat= 619, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HE1          69 LYS  HD2         5.00    (#   2924:29   Unique)
 &rst
  ixpk= 2924, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 995, 996,
 &end
#
#    0 AMB  29-2:2925    69 LYS  HD2         3.30    (#   2925:29   Single Ambig)
 &rst
  ixpk= 2925, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  29-2:2927    69 LYS  HD1         5.00    (#   2927:29   Single Ambig)
 &rst
  ixpk= 2927, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  29-2:3159     0 AMB  29-1:3159   3.30    (#   3159:29   Double Ambig)
 &rst
  ixpk= 3159, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 998, 999, 328, 329,
 igr2= 995, 996, 325, 326,
 &end
#
#   65 ASP  HB2          23 LYS  HD1         5.00    (#   3160:29   Unique)
 &rst
  ixpk= 3160, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#   26 THR  HG21         23 LYS  HD1         5.00    (#   3164:29   Unique)
 &rst
  ixpk= 3164, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 364, 365, 366,
 igr2= 325, 326,
 &end
#
#   64 LYS  HA           64 LYS  HD1         5.00    (#   3680:29   Unique)
 &rst
  ixpk= 3680, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 923, 924,
 &end
#
#   64 LYS  HE1          64 LYS  HD1         3.30    (#   3681:29   Unique)
 &rst
  ixpk= 3681, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   24 PRO  HD1          24 PRO  HG1         3.30    (#   4092:29   Unique)
 &rst
  ixpk= 4092, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG1         5.00    (#   4093:29   Unique)
 &rst
  ixpk= 4093, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#    0 AMB  29-2:4097    24 PRO  HG1         5.00    (#   4097:29   Single Ambig)
 &rst
  ixpk= 4097, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD1          24 PRO  HG2         5.00    (#   4098:29   Unique)
 &rst
  ixpk= 4098, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG2         5.00    (#   4099:29   Unique)
 &rst
  ixpk= 4099, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HB1          24 PRO  HG2         5.00    (#   4100:29   Unique)
 &rst
  ixpk= 4100, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 344, 345,
 igr2= 341, 342,
 &end
#
#    0 AMB  29-2:4101    24 PRO  HG2         5.00    (#   4101:29   Single Ambig)
 &rst
  ixpk= 4101, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   28 PRO  HD1          28 PRO  HG2         2.70    (#   4225:29   Unique)
 &rst
  ixpk= 4225, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG1         5.00    (#   4231:29   Unique)
 &rst
  ixpk= 4231, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG1         5.00    (#   4233:29   Unique)
 &rst
  ixpk= 4233, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HD1          59 ARG  HG1         5.00    (#   4234:29   Unique)
 &rst
  ixpk= 4234, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   63 ILE  HD11         28 PRO  HG1         5.00    (#   4239:29   Unique)
 &rst
  ixpk= 4239, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 393, 394,
 &end
#
#   28 PRO  HD1          28 PRO  HG1         5.00    (#   4241:29   Unique)
 &rst
  ixpk= 4241, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG2         5.00    (#   4245:29   Unique)
 &rst
  ixpk= 4245, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG2         5.00    (#   4247:29   Unique)
 &rst
  ixpk= 4247, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   63 ILE  HA           63 ILE  HG11        5.00    (#   4248:29   Unique)
 &rst
  ixpk= 4248, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HG11        2.70    (#   4249:29   Unique)
 &rst
  ixpk= 4249, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 907, 908, 909,
 igr2= 904, 905,
 &end
#
#   59 ARG  HD1          59 ARG  HG2         3.30    (#   4366:29   Unique)
 &rst
  ixpk= 4366, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   63 ILE  HN           63 ILE  HG11        5.00    (#   4368:29   Unique)
 &rst
  ixpk= 4368, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#    9 PRO  HD2           9 PRO  HG2         5.00    (#   4478:29   Unique)
 &rst
  ixpk= 4478, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD2           9 PRO  HG1         5.00    (#   4479:29   Unique)
 &rst
  ixpk= 4479, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    0 AMB  29-2:4592     9 PRO  HG2         5.00    (#   4592:29   Single Ambig)
 &rst
  ixpk= 4592, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD1           9 PRO  HG2         3.30    (#   4593:29   Unique)
 &rst
  ixpk= 4593, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    0 AMB  29-2:4602     0 AMB  29-1:4602   3.30    (#   4602:29   Double Ambig)
 &rst
  ixpk= 4602, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 603, 604,1130,1131,
 igr2= 600, 601,1127,1128,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.00    (#   4604:29   Unique)
 &rst
  ixpk= 4604, iat= 166, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:4605     0 AMB  29-1:4605   3.30    (#   4605:29   Double Ambig)
 &rst
  ixpk= 4605, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   43 ARG  HA           43 ARG  HG1         5.00    (#   4606:29   Unique)
 &rst
  ixpk= 4606, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 600, 601,
 &end
#
#    0 AMB  29-2:4607     0 AMB  29-1:4607   3.30    (#   4607:29   Double Ambig)
 &rst
  ixpk= 4607, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 603, 604,1130,1131, 105, 106,
 igr2= 600, 601,1127,1128, 102, 103,
 &end
#
#   62 LEU  HN           62 LEU  HG          5.00    (#   4611:29   Unique)
 &rst
  ixpk= 4611, iat= 875, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           62 LEU  HG          5.00    (#   4612:29   Unique)
 &rst
  ixpk= 4612, iat= 436, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HA            6 ILE  HG12        5.00    (#   4616:29   Unique)
 &rst
  ixpk= 4616, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  86,  87,
 &end
#
#   66 PRO  HD2          66 PRO  HG1         5.00    (#   4725:29   Unique)
 &rst
  ixpk= 4725, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG1         3.30    (#   4726:29   Unique)
 &rst
  ixpk= 4726, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#    0 AMB  29-2:4729    66 PRO  HG2         5.00    (#   4729:29   Single Ambig)
 &rst
  ixpk= 4729, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD1          66 PRO  HG2         3.30    (#   4730:29   Unique)
 &rst
  ixpk= 4730, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD2          66 PRO  HG2         5.00    (#   4731:29   Unique)
 &rst
  ixpk= 4731, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG2         5.00    (#   4734:29   Unique)
 &rst
  ixpk= 4734, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#    7 ARG  HD1           7 ARG  HG2         3.30    (#   4740:29   Unique)
 &rst
  ixpk= 4740, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 105, 106,
 igr2= 102, 103,
 &end
#
#   11 LEU  HD21         11 LEU  HG          5.00    (#   4745:29   Unique)
 &rst
  ixpk= 4745, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   62 LEU  HD21         62 LEU  HG          3.30    (#   4749:29   Unique)
 &rst
  ixpk= 4749, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  29-2:4750     0 AMB  29-1:4750   5.00    (#   4750:29   Double Ambig)
 &rst
  ixpk= 4750, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 123,  80,
 igr2= 129, 130,  86,  87,
 &end
#
#    8 ILE  HN            0 AMB  29-1:4944   5.00    (#   4944:29   Single Ambig)
 &rst
  ixpk= 4944, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 129, 130,
 &end
#
#    0 AMB  29-2:4945     0 AMB  29-1:4945   5.00    (#   4945:29   Double Ambig)
 &rst
  ixpk= 4945, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 121, 693,
 igr2= 129, 130, 600, 601,
 &end
#
#    8 ILE  HA            0 AMB  29-1:4947   5.00    (#   4947:29   Single Ambig)
 &rst
  ixpk= 4947, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 129, 130,
 &end
#
#    0 AMB  29-2:5047    32 PRO  HG1         5.00    (#   5047:29   Single Ambig)
 &rst
  ixpk= 5047, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 472, 482,
 igr2= 448, 449,
 &end
#
#   32 PRO  HD1          32 PRO  HG1         2.70    (#   5048:29   Unique)
 &rst
  ixpk= 5048, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 445, 446,
 igr2= 448, 449,
 &end
#
#   54 PRO  HD2          54 PRO  HG1         5.00    (#   5055:29   Unique)
 &rst
  ixpk= 5055, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   75 ARG  HA           75 ARG  HG2         5.00    (#   5058:29   Unique)
 &rst
  ixpk= 5058, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   13 GLU  HA           75 ARG  HG2         5.00    (#   5059:29   Unique)
 &rst
  ixpk= 5059, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG2         3.30    (#   5060:29   Unique)
 &rst
  ixpk= 5060, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   75 ARG  HA           75 ARG  HG1         5.00    (#   5061:29   Unique)
 &rst
  ixpk= 5061, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG1         5.00    (#   5062:29   Unique)
 &rst
  ixpk= 5062, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   54 PRO  HD1          54 PRO  HG1         5.00    (#   5171:29   Unique)
 &rst
  ixpk= 5171, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD2          54 PRO  HG2         5.00    (#   5174:29   Unique)
 &rst
  ixpk= 5174, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD1          54 PRO  HG2         5.00    (#   5176:29   Unique)
 &rst
  ixpk= 5176, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HB1          54 PRO  HG2         5.00    (#   5177:29   Unique)
 &rst
  ixpk= 5177, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772, 773,
 igr2= 769, 770,
 &end
#
#   69 LYS  HA           69 LYS  HG1         5.00    (#   5307:29   Unique)
 &rst
  ixpk= 5307, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG1         5.00    (#   5308:29   Unique)
 &rst
  ixpk= 5308, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  29-2:5312    69 LYS  HG1         5.00    (#   5312:29   Single Ambig)
 &rst
  ixpk= 5312, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG2         3.30    (#   5313:29   Unique)
 &rst
  ixpk= 5313, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 992, 993,
 &end
#
#   69 LYS  HA           69 LYS  HG2         3.30    (#   5315:29   Unique)
 &rst
  ixpk= 5315, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG2         5.00    (#   5316:29   Unique)
 &rst
  ixpk= 5316, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  29-2:5317    69 LYS  HG2         5.00    (#   5317:29   Single Ambig)
 &rst
  ixpk= 5317, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#    0 AMB  29-2:5318    69 LYS  HG2         3.30    (#   5318:29   Single Ambig)
 &rst
  ixpk= 5318, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 990, 995, 996,
 igr2= 992, 993,
 &end
#
#   76 VAL  MGX          69 LYS  HG2         5.00    (#   5320:29   Unique)
 &rst
  ixpk= 5320, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG1         5.00    (#   5437:29   Unique)
 &rst
  ixpk= 5437, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   57 GLN  HA           57 GLN  HB3         3.30    (#   5535:29   Unique)
 &rst
  ixpk= 5535, iat= 808, 811, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HA           57 GLN  HB2         5.00    (#   5537:29   Unique)
 &rst
  ixpk= 5537, iat= 808, 810, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:5685    62 LEU  HD11        5.00    (#   5685:29   Single Ambig)
 &rst
  ixpk= 5685, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HD1          62 LEU  HD11        3.30    (#   5686:29   Unique)
 &rst
  ixpk= 5686, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 445, 446,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HB2          62 LEU  HD11        5.00    (#   5687:29   Unique)
 &rst
  ixpk= 5687, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 451, 452,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB2          62 LEU  HD11        5.00    (#   5688:29   Unique)
 &rst
  ixpk= 5688, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB3          62 LEU  HD11        3.30    (#   5689:29   Unique)
 &rst
  ixpk= 5689, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 884, 885, 886,
 &end
#
#   11 LEU  HA           11 LEU  HD11        5.00    (#   5986:29   Unique)
 &rst
  ixpk= 5986, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:5987    11 LEU  HD11        5.00    (#   5987:29   Single Ambig)
 &rst
  ixpk= 5987, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1107,1091,
 igr2= 175, 176, 177,
 &end
#
#   75 ARG  HD1          11 LEU  HD11        5.00    (#   5988:29   Unique)
 &rst
  ixpk= 5988, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1075,1076,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:5992    11 LEU  HD11        3.30    (#   5992:29   Single Ambig)
 &rst
  ixpk= 5992, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 170,1069,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:5993    11 LEU  HD11        5.00    (#   5993:29   Single Ambig)
 &rst
  ixpk= 5993, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1072,1073,1070,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HB3          11 LEU  HD11        5.00    (#   5994:29   Unique)
 &rst
  ixpk= 5994, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#   64 LYS  HE1          64 LYS  HG1         5.00    (#   6240:29   Unique)
 &rst
  ixpk= 6240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 920, 921,
 &end
#
#    0 AMB  29-2:6247    11 LEU  HD11        5.00    (#   6247:29   Single Ambig)
 &rst
  ixpk= 6247, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1072,1073, 173,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:6368     0 AMB  29-1:6368   5.00    (#   6368:29   Double Ambig)
 &rst
  ixpk= 6368, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 915, 317,
 igr2= 920, 921, 322, 323,
 &end
#
#   64 LYS  HB+          64 LYS  HG1         3.30    (#   6369:29   Unique)
 &rst
  ixpk= 6369, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918,
 igr2= 920, 921,
 &end
#
#    0 AMB  29-2:6372     0 AMB  29-1:6372   3.30    (#   6372:29   Double Ambig)
 &rst
  ixpk= 6372, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 917, 918,  43,  44,
 igr2= 920, 921,  46,  47,
 &end
#
#   64 LYS  HA           64 LYS  HG2         5.00    (#   6375:29   Unique)
 &rst
  ixpk= 6375, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 920, 921,
 &end
#
#   62 LEU  HN           61 THR  HB          5.00    (#   6497:29   Unique)
 &rst
  ixpk= 6497, iat= 875, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HB          3.30    (#   6501:29   Unique)
 &rst
  ixpk= 6501, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   28 PRO  HG2          61 THR  HB          3.30    (#   6507:29   Unique)
 &rst
  ixpk= 6507, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 393, 394,
 &end
#
#    0 AMB  29-2:6508    61 THR  HB          5.00    (#   6508:29   Single Ambig)
 &rst
  ixpk= 6508, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 396, 397, 393, 394,
 &end
#
#   61 THR  HG21         61 THR  HB          3.30    (#   6509:29   Unique)
 &rst
  ixpk= 6509, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  29-2:6516    23 LYS  HG1         5.00    (#   6516:29   Single Ambig)
 &rst
  ixpk= 6516, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329, 966,
 igr2= 322, 323,
 &end
#
#   24 PRO  HD2          23 LYS  HG2         5.00    (#   6616:29   Unique)
 &rst
  ixpk= 6616, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 322, 323,
 &end
#
#    0 AMB  29-2:6617    23 LYS  HG2         5.00    (#   6617:29   Single Ambig)
 &rst
  ixpk= 6617, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329, 966,
 igr2= 322, 323,
 &end
#
#   12 GLU  HN           11 LEU  HD21        5.00    (#   7107:29   Unique)
 &rst
  ixpk= 7107, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7108     0 AMB  29-1:7108   5.00    (#   7108:29   Double Ambig)
 &rst
  ixpk= 7108, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 894,1105,
 igr2= 888, 889, 890, 179, 180, 181,
 &end
#
#   11 LEU  HA           11 LEU  HD21        3.30    (#   7110:29   Unique)
 &rst
  ixpk= 7110, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7111    11 LEU  HD21        2.70    (#   7111:29   Single Ambig)
 &rst
  ixpk= 7111, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1107,1091,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HG1          11 LEU  HD21        5.00    (#   7113:29   Unique)
 &rst
  ixpk= 7113, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1112,1113,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HB1          11 LEU  HD21        5.00    (#   7114:29   Unique)
 &rst
  ixpk= 7114, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1109,1110,
 igr2= 179, 180, 181,
 &end
#
#   12 GLU  HB2          11 LEU  HD21        6.00    (#   7115:29   Unique)
 &rst
  ixpk= 7115, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 189, 190,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7116    11 LEU  HD21        5.00    (#   7116:29   Single Ambig)
 &rst
  ixpk= 7116, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1124,1125,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7117    11 LEU  HD21        5.00    (#   7117:29   Single Ambig)
 &rst
  ixpk= 7117, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 170,1069,1124,1125,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7118     0 AMB  29-1:7118   3.30    (#   7118:29   Double Ambig)
 &rst
  ixpk= 7118, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1072,1073, 173, 879,
 igr2= 179, 180, 181, 888, 889, 890,
 &end
#
#   55 HIS  HD2          62 LEU  HD21        5.00    (#   7123:29   Unique)
 &rst
  ixpk= 7123, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7302    26 THR  HB          5.00    (#   7302:29   Single Ambig)
 &rst
  ixpk= 7302, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 358, 315,
 &end
#
#   27 GLN  HN           26 THR  HB          5.00    (#   7303:29   Unique)
 &rst
  ixpk= 7303, iat= 372, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HA           26 THR  HB          3.30    (#   7304:29   Unique)
 &rst
  ixpk= 7304, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:7306    26 THR  HB          2.70    (#   7306:29   Single Ambig)
 &rst
  ixpk= 7306, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 364, 365, 366, 309, 310, 311,
 &end
#
#   16 VAL  HN           16 VAL  MG2         5.00    (#   7318:29   Unique)
 &rst
  ixpk= 7318, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   17 CYS  HN           16 VAL  MG2         5.00    (#   7319:29   Unique)
 &rst
  ixpk= 7319, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   16 VAL  HA           16 VAL  MG2         3.30    (#   7321:29   Unique)
 &rst
  ixpk= 7321, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  29-2:7322    16 VAL  MG2         5.00    (#   7322:29   Single Ambig)
 &rst
  ixpk= 7322, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 998, 999,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  29-2:7323    16 VAL  MG2         2.70    (#   7323:29   Single Ambig)
 &rst
  ixpk= 7323, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 995, 996, 241,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG2          16 VAL  MG2         6.00    (#   7324:29   Unique)
 &rst
  ixpk= 7324, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#   62 LEU  HA           62 LEU  HD21        3.30    (#   7332:29   Unique)
 &rst
  ixpk= 7332, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7333    62 LEU  HD21        5.00    (#   7333:29   Single Ambig)
 &rst
  ixpk= 7333, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 915, 436,
 igr2= 888, 889, 890,
 &end
#
#   32 PRO  HD1          62 LEU  HD21        5.00    (#   7334:29   Unique)
 &rst
  ixpk= 7334, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 445, 446,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7335    62 LEU  HD21        5.00    (#   7335:29   Single Ambig)
 &rst
  ixpk= 7335, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 igr2= 888, 889, 890,
 &end
#
#   56 CYS  HB1          62 LEU  HD21        5.00    (#   7336:29   Unique)
 &rst
  ixpk= 7336, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   62 LEU  HG           62 LEU  HD21        3.30    (#   7337:29   Unique)
 &rst
  ixpk= 7337, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7504    33 THR  HG21        5.00    (#   7504:29   Single Ambig)
 &rst
  ixpk= 7504, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 472, 482,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HB           33 THR  HG21        2.70    (#   7505:29   Unique)
 &rst
  ixpk= 7505, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  29-2:7506    33 THR  HG21        3.30    (#   7506:29   Single Ambig)
 &rst
  ixpk= 7506, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 460, 766, 767,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HN           33 THR  HG21        5.00    (#   7510:29   Unique)
 &rst
  ixpk= 7510, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB1          33 THR  HG21        5.00    (#   7512:29   Unique)
 &rst
  ixpk= 7512, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 783, 784,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB2          33 THR  HG21        5.00    (#   7513:29   Unique)
 &rst
  ixpk= 7513, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  29-2:7515    33 THR  HG21        5.00    (#   7515:29   Single Ambig)
 &rst
  ixpk= 7515, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 545, 448, 449, 759,
 igr2= 464, 465, 466,
 &end
#
#   54 PRO  HG1          33 THR  HG21        5.00    (#   7516:29   Unique)
 &rst
  ixpk= 7516, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 769, 770,
 igr2= 464, 465, 466,
 &end
#
#   54 PRO  HG2          33 THR  HG21        5.00    (#   7518:29   Unique)
 &rst
  ixpk= 7518, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 769, 770,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG1          33 THR  HG21        3.30    (#   7526:29   Unique)
 &rst
  ixpk= 7526, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 547, 548, 549,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG2          33 THR  HG21        5.00    (#   7527:29   Unique)
 &rst
  ixpk= 7527, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  29-2:7530    16 VAL  MG2         3.30    (#   7530:29   Single Ambig)
 &rst
  ixpk= 7530, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 995, 996, 990,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG1          16 VAL  MG2         5.00    (#   7532:29   Unique)
 &rst
  ixpk= 7532, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#   16 VAL  HN           16 VAL  MG1         5.00    (#   8192:29   Unique)
 &rst
  ixpk= 8192, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   17 CYS  HN           16 VAL  MG1         5.00    (#   8193:29   Unique)
 &rst
  ixpk= 8193, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   23 LYS  HA           16 VAL  MG1         5.00    (#   8194:29   Unique)
 &rst
  ixpk= 8194, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  29-2:8195     0 AMB  29-1:8195   3.30    (#   8195:29   Double Ambig)
 &rst
  ixpk= 8195, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 239, 338, 339, 766, 767,
 igr2= 243, 244, 245, 547, 548, 549,
 &end
#
#    0 AMB  29-2:8196    16 VAL  MG1         5.00    (#   8196:29   Single Ambig)
 &rst
  ixpk= 8196, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 338, 339, 258,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  29-2:8197    16 VAL  MG1         5.00    (#   8197:29   Single Ambig)
 &rst
  ixpk= 8197, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 257, 230,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  29-2:8198    16 VAL  MG1         2.70    (#   8198:29   Single Ambig)
 &rst
  ixpk= 8198, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 241, 344, 345,
 igr2= 243, 244, 245,
 &end
#
#   40 VAL  HN           40 VAL  MG1         5.00    (#   8342:29   Unique)
 &rst
  ixpk= 8342, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   41 GLN  HN           40 VAL  MG1         5.00    (#   8343:29   Unique)
 &rst
  ixpk= 8343, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HA           40 VAL  MG1         5.00    (#   8346:29   Unique)
 &rst
  ixpk= 8346, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   40 VAL  HA           40 VAL  MG1         3.30    (#   8347:29   Unique)
 &rst
  ixpk= 8347, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 547, 548, 549,
 &end
#
#   53 CYS  HA           40 VAL  MG1         3.30    (#   8348:29   Unique)
 &rst
  ixpk= 8348, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  29-2:8349    40 VAL  MG1         5.00    (#   8349:29   Single Ambig)
 &rst
  ixpk= 8349, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HB3          40 VAL  MG1         5.00    (#   8350:29   Unique)
 &rst
  ixpk= 8350, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   53 CYS  HB1          40 VAL  MG1         5.00    (#   8351:29   Unique)
 &rst
  ixpk= 8351, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HB2          40 VAL  MG1         5.00    (#   8352:29   Unique)
 &rst
  ixpk= 8352, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  29-2:8353     0 AMB  29-1:8353   2.70    (#   8353:29   Double Ambig)
 &rst
  ixpk= 8353, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 759, 341, 342, 545,
 igr2= 547, 548, 549, 243, 244, 245,
 &end
#
#   33 THR  HG21         40 VAL  MG1         3.30    (#   8354:29   Unique)
 &rst
  ixpk= 8354, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 464, 465, 466,
 igr2= 547, 548, 549,
 &end
#
#   76 VAL  HN           76 VAL  MGX         5.00    (#   8478:29   Unique)
 &rst
  ixpk= 8478, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8479    76 VAL  MGX         5.00    (#   8479:29   Single Ambig)
 &rst
  ixpk= 8479, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 237,1105,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGX         5.00    (#   8483:29   Unique)
 &rst
  ixpk= 8483, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HA           76 VAL  MGX         5.00    (#   8484:29   Unique)
 &rst
  ixpk= 8484, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HA           76 VAL  MGX         3.30    (#   8485:29   Unique)
 &rst
  ixpk= 8485, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGX         5.00    (#   8486:29   Unique)
 &rst
  ixpk= 8486, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB3          76 VAL  MGX         5.00    (#   8487:29   Unique)
 &rst
  ixpk= 8487, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGX         5.00    (#   8488:29   Unique)
 &rst
  ixpk= 8488, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB2          76 VAL  MGX         5.00    (#   8489:29   Unique)
 &rst
  ixpk= 8489, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8491    76 VAL  MGX         5.00    (#   8491:29   Single Ambig)
 &rst
  ixpk= 8491, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 241,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8492    76 VAL  MGX         5.00    (#   8492:29   Single Ambig)
 &rst
  ixpk= 8492, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 189, 190, 204, 205,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8493    76 VAL  MGX         5.00    (#   8493:29   Single Ambig)
 &rst
  ixpk= 8493, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG1          76 VAL  MGX         5.00    (#   8494:29   Unique)
 &rst
  ixpk= 8494, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8657     0 AMB  29-1:8657   5.00    (#   8657:29   Double Ambig)
 &rst
  ixpk= 8657, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  29, 156,
 &end
#
#   11 LEU  HN           10 THR  HB          5.00    (#   8658:29   Unique)
 &rst
  ixpk= 8658, iat= 166, 156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:8661     0 AMB  29-1:8661   5.00    (#   8661:29   Double Ambig)
 &rst
  ixpk= 8661, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 123,  43,  44,1124,1125, 145, 146,
 igr2= 156,  29,
 &end
#
#    0 AMB  29-2:8662    10 THR  HB          5.00    (#   8662:29   Single Ambig)
 &rst
  ixpk= 8662, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 170,1124,1125,
 &end
#
#   10 THR  HN           10 THR  HG21        5.00    (#   8679:29   Unique)
 &rst
  ixpk= 8679, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#   11 LEU  HN           10 THR  HG21        5.00    (#   8680:29   Unique)
 &rst
  ixpk= 8680, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  29-2:8682    10 THR  HG21        6.00    (#   8682:29   Single Ambig)
 &rst
  ixpk= 8682, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1107, 148,
 igr2= 158, 159, 160,
 &end
#
#   10 THR  HA           10 THR  HG21        5.00    (#   8683:29   Unique)
 &rst
  ixpk= 8683, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#   78 ARG  HD1          10 THR  HG21        5.00    (#   8684:29   Unique)
 &rst
  ixpk= 8684, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1130,1131,
 igr2= 158, 159, 160,
 &end
#
#    2 VAL  HB            3 THR  HG21        5.00    (#   8686:29   Unique)
 &rst
  ixpk= 8686, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  31,  32,  33,
 &end
#
#    0 AMB  29-2:8687    10 THR  HG21        5.00    (#   8687:29   Single Ambig)
 &rst
  ixpk= 8687, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 123, 145, 146,
 igr2= 158, 159, 160,
 &end
#
#   26 THR  HB           26 THR  HG21        2.70    (#   8691:29   Unique)
 &rst
  ixpk= 8691, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 364, 365, 366,
 &end
#
#   23 LYS  HE1          26 THR  HG21        5.00    (#   8692:29   Unique)
 &rst
  ixpk= 8692, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB2          26 THR  HG21        5.00    (#   8693:29   Unique)
 &rst
  ixpk= 8693, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#   26 THR  HN           26 THR  HG21        5.00    (#   8694:29   Unique)
 &rst
  ixpk= 8694, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB3          26 THR  HG21        5.00    (#   8697:29   Unique)
 &rst
  ixpk= 8697, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  29-2:8698    52 THR  HG21        5.00    (#   8698:29   Single Ambig)
 &rst
  ixpk= 8698, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 810, 813, 814, 813, 814,
 igr2= 747, 748, 749,
 &end
#
#   23 LYS  HD1          26 THR  HG21        3.30    (#   8699:29   Unique)
 &rst
  ixpk= 8699, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 325, 326,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  29-2:8700    26 THR  HG21        5.00    (#   8700:29   Single Ambig)
 &rst
  ixpk= 8700, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 920, 921, 322, 323,
 igr2= 364, 365, 366,
 &end
#
#   40 VAL  MG2          52 THR  HG21        5.00    (#   8709:29   Unique)
 &rst
  ixpk= 8709, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 747, 748, 749,
 &end
#
#   62 LEU  HN           61 THR  HG21        5.00    (#   8710:29   Unique)
 &rst
  ixpk= 8710, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   31 CYS  HN           61 THR  HG21        5.00    (#   8711:29   Unique)
 &rst
  ixpk= 8711, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HN           61 THR  HG21        5.00    (#   8712:29   Unique)
 &rst
  ixpk= 8712, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HA           61 THR  HG21        3.30    (#   8714:29   Unique)
 &rst
  ixpk= 8714, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  29-2:8719    61 THR  HG21        2.70    (#   8719:29   Single Ambig)
 &rst
  ixpk= 8719, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 422, 865,
 igr2= 867, 868, 869,
 &end
#
#   28 PRO  HG2          61 THR  HG21        5.00    (#   8720:29   Unique)
 &rst
  ixpk= 8720, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  29-2:8722    61 THR  HG21        5.00    (#   8722:29   Single Ambig)
 &rst
  ixpk= 8722, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 396, 397, 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  29-2:8903     0 AMB  29-1:8903   2.70    (#   8903:29   Double Ambig)
 &rst
  ixpk= 8903, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 129, 130, 158, 159, 160,  31,  32,  33,
 igr2= 156,  29,
 &end
#
#    0 AMB  29-2:8905    10 THR  HB          6.00    (#   8905:29   Single Ambig)
 &rst
  ixpk= 8905, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1107, 148,
 &end
#
#    0 AMB  29-2:8922     0 AMB  29-1:8922   2.70    (#   8922:29   Double Ambig)
 &rst
  ixpk= 8922, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 156,  29,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#   52 THR  HN           52 THR  HG21        5.00    (#   8935:29   Unique)
 &rst
  ixpk= 8935, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  29-2:8936     0 AMB  29-1:8936   3.30    (#   8936:29   Double Ambig)
 &rst
  ixpk= 8936, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 823, 434, 935,
 igr2= 747, 748, 749, 426, 427, 428, 364, 365, 366,
 &end
#
#   58 GLY  HA1          52 THR  HG21        3.30    (#   8938:29   Unique)
 &rst
  ixpk= 8938, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 825, 826,
 igr2= 747, 748, 749,
 &end
#
#   52 THR  HA           52 THR  HG21        3.30    (#   8939:29   Unique)
 &rst
  ixpk= 8939, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  29-2:8940     0 AMB  29-1:8940   2.70    (#   8940:29   Double Ambig)
 &rst
  ixpk= 8940, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 424, 745,
 igr2= 426, 427, 428, 747, 748, 749,
 &end
#
#    0 AMB  29-2:8942     0 AMB  29-1:8942   5.00    (#   8942:29   Double Ambig)
 &rst
  ixpk= 8942, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 830, 482, 472,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#    0 AMB  29-2:8943     0 AMB  29-1:8943   5.00    (#   8943:29   Double Ambig)
 &rst
  ixpk= 8943, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 760, 439,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#    0 AMB  29-2:8944    52 THR  HG21        5.00    (#   8944:29   Single Ambig)
 &rst
  ixpk= 8944, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 531, 532,
 igr2= 747, 748, 749,
 &end
#
#   31 CYS  HB2          30 THR  HG21        5.00    (#   8945:29   Unique)
 &rst
  ixpk= 8945, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  29-2:9389    49 VAL  MG1         5.00    (#   9389:29   Single Ambig)
 &rst
  ixpk= 9389, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 691, 707,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9391    49 VAL  MG1         5.00    (#   9391:29   Single Ambig)
 &rst
  ixpk= 9391, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 697, 698, 699,
 &end
#
#   49 VAL  HA           49 VAL  MG1         3.30    (#   9392:29   Unique)
 &rst
  ixpk= 9392, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 697, 698, 699,
 &end
#
#   41 GLN  HG1          49 VAL  MG1         5.00    (#   9396:29   Unique)
 &rst
  ixpk= 9396, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 564, 565,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9397    49 VAL  MG1         3.30    (#   9397:29   Single Ambig)
 &rst
  ixpk= 9397, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 578, 579, 695, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9398    49 VAL  MG1         5.00    (#   9398:29   Single Ambig)
 &rst
  ixpk= 9398, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9399    49 VAL  MG1         5.00    (#   9399:29   Single Ambig)
 &rst
  ixpk= 9399, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 578, 579, 597, 598, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9600    52 THR  HB          5.00    (#   9600:29   Single Ambig)
 &rst
  ixpk= 9600, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 825, 826, 775,
 &end
#
#    2 VAL  HB            2 VAL  MGX         5.00    (#   9639:29   Unique)
 &rst
  ixpk= 9639, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  15,  16,  17,  19,  20,  21,
 &end
#
#   52 THR  HN           52 THR  HB          3.30    (#   9882:29   Unique)
 &rst
  ixpk= 9882, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   53 CYS  HN           52 THR  HB          5.00    (#   9883:29   Unique)
 &rst
  ixpk= 9883, iat= 755, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:9887    30 THR  HB          5.00    (#   9887:29   Single Ambig)
 &rst
  ixpk= 9887, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 501, 502, 405,
 &end
#
#    0 AMB  29-2:9891     0 AMB  29-1:9891   2.70    (#   9891:29   Double Ambig)
 &rst
  ixpk= 9891, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 426, 427, 428, 747, 748, 749,
 igr2= 424, 745,
 &end
#
#   30 THR  HN           30 THR  HB          3.30    (#   10060:29   Unique)
 &rst
  ixpk= 10060, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:10061    0 AMB  29-1:10061  5.00    (#   10061:29   Double Ambig)
 &rst
  ixpk= 10061, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 434, 823,
 igr2= 424, 745,
 &end
#
#   23 LYS  HN           22 ALA  HB1         5.00    (#   10071:29   Unique)
 &rst
  ixpk= 10071, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HN           22 ALA  HB1         3.30    (#   10072:29   Unique)
 &rst
  ixpk= 10072, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 309, 310, 311,
 &end
#
#   20 SER  HG           22 ALA  HB1         6.00    (#   10073:29   Unique)
 &rst
  ixpk= 10073, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HA           22 ALA  HB1         2.70    (#   10075:29   Unique)
 &rst
  ixpk= 10075, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HA           22 ALA  HB1         5.00    (#   10077:29   Unique)
 &rst
  ixpk= 10077, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  29-2:10078   22 ALA  HB1         5.00    (#   10078:29   Single Ambig)
 &rst
  ixpk= 10078, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 291, 300, 301,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  29-2:10079   22 ALA  HB1         5.00    (#   10079:29   Single Ambig)
 &rst
  ixpk= 10079, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 393, 394, 917, 918,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HD11         22 ALA  HB1         5.00    (#   10083:29   Unique)
 &rst
  ixpk= 10083, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG21         22 ALA  HB1         5.00    (#   10084:29   Unique)
 &rst
  ixpk= 10084, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 900, 901, 902,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  29-2:10085   22 ALA  HB1         6.00    (#   10085:29   Single Ambig)
 &rst
  ixpk= 10085, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 948, 949, 338, 339,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG11         22 ALA  HB1         5.00    (#   10086:29   Unique)
 &rst
  ixpk= 10086, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 904, 905,
 igr2= 309, 310, 311,
 &end
#
#   27 GLN  HA           22 ALA  HB1         5.00    (#   10239:29   Unique)
 &rst
  ixpk= 10239, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   28 PRO  HG2          22 ALA  HB1         5.00    (#   10240:29   Unique)
 &rst
  ixpk= 10240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 309, 310, 311,
 &end
#
#   49 VAL  HN           48 ALA  HB1         5.00    (#   10580:29   Unique)
 &rst
  ixpk= 10580, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#   48 ALA  HN           48 ALA  HB1         5.00    (#   10581:29   Unique)
 &rst
  ixpk= 10581, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10583   48 ALA  HB1         2.70    (#   10583:29   Single Ambig)
 &rst
  ixpk= 10583, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 683, 559,
 igr2= 685, 686, 687,
 &end
#
#   43 ARG  HA           48 ALA  HB1         5.00    (#   10584:29   Unique)
 &rst
  ixpk= 10584, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10585   48 ALA  HB1         5.00    (#   10585:29   Single Ambig)
 &rst
  ixpk= 10585, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 619, 643, 693,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10587   48 ALA  HB1         5.00    (#   10587:29   Single Ambig)
 &rst
  ixpk= 10587, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 624, 625, 564, 565,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10588   48 ALA  HB1         5.00    (#   10588:29   Single Ambig)
 &rst
  ixpk= 10588, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 685, 686, 687,
 &end
#
#    2 VAL  HB            2 VAL  MGY         5.00    (#   10599:29   Unique)
 &rst
  ixpk= 10599, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  15,  16,  17,  19,  20,  21,
 &end
#
#    0 AMB  29-2:10603   49 VAL  MG2         5.00    (#   10603:29   Single Ambig)
 &rst
  ixpk= 10603, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 691,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  29-2:10604   49 VAL  MG2         5.00    (#   10604:29   Single Ambig)
 &rst
  ixpk= 10604, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 701, 702, 703,
 &end
#
#   49 VAL  HA           49 VAL  MG2         5.00    (#   10605:29   Unique)
 &rst
  ixpk= 10605, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  29-2:10609   49 VAL  MG2         3.30    (#   10609:29   Single Ambig)
 &rst
  ixpk= 10609, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 714, 715, 578, 579, 711, 712,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  29-2:10615   49 VAL  MG2         5.00    (#   10615:29   Single Ambig)
 &rst
  ixpk= 10615, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 701, 702, 703,
 &end
#
#   76 VAL  HN           76 VAL  MGY         5.00    (#   11146:29   Unique)
 &rst
  ixpk= 11146, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11148   76 VAL  MGY         5.00    (#   11148:29   Single Ambig)
 &rst
  ixpk= 11148, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1105, 237,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGY         5.00    (#   11149:29   Unique)
 &rst
  ixpk= 11149, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11151   76 VAL  MGY         5.00    (#   11151:29   Single Ambig)
 &rst
  ixpk= 11151, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1091,1107,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGY         5.00    (#   11152:29   Unique)
 &rst
  ixpk= 11152, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGY         5.00    (#   11154:29   Unique)
 &rst
  ixpk= 11154, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11156   76 VAL  MGY         2.70    (#   11156:29   Single Ambig)
 &rst
  ixpk= 11156, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1093, 192, 193,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11157   76 VAL  MGY         5.00    (#   11157:29   Single Ambig)
 &rst
  ixpk= 11157, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 189, 190,1109,1110,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   33 THR  HN           33 THR  HB          5.00    (#   11312:29   Unique)
 &rst
  ixpk= 11312, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HN           33 THR  HB          5.00    (#   11313:29   Unique)
 &rst
  ixpk= 11313, iat= 472, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          33 THR  HB          5.00    (#   11317:29   Unique)
 &rst
  ixpk= 11317, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   33 THR  HG21         33 THR  HB          5.00    (#   11318:29   Unique)
 &rst
  ixpk= 11318, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   12 GLU  HB2          76 VAL  MGY         5.00    (#   11395:29   Unique)
 &rst
  ixpk= 11395, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 189, 190,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11396   76 VAL  MGY         5.00    (#   11396:29   Single Ambig)
 &rst
  ixpk= 11396, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   42 MET  HG2          40 VAL  MG2         6.00    (#   11857:29   Unique)
 &rst
  ixpk= 11857, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 581, 582,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  29-2:11858   40 VAL  MG2         3.30    (#   11858:29   Single Ambig)
 &rst
  ixpk= 11858, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 541, 724,
 igr2= 551, 552, 553,
 &end
#
#   41 GLN  HN           40 VAL  MG2         5.00    (#   11859:29   Unique)
 &rst
  ixpk= 11859, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   40 VAL  HA           40 VAL  MG2         5.00    (#   11860:29   Unique)
 &rst
  ixpk= 11860, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   53 CYS  HA           40 VAL  MG2         5.00    (#   11861:29   Unique)
 &rst
  ixpk= 11861, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD1          40 VAL  MG2         5.00    (#   11862:29   Unique)
 &rst
  ixpk= 11862, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD2          40 VAL  MG2         5.00    (#   11863:29   Unique)
 &rst
  ixpk= 11863, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  29-2:11864   40 VAL  MG2         5.00    (#   11864:29   Single Ambig)
 &rst
  ixpk= 11864, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 731, 732, 772, 773,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  29-2:11865   40 VAL  MG2         2.70    (#   11865:29   Single Ambig)
 &rst
  ixpk= 11865, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 545, 759, 531, 532,
 igr2= 551, 552, 553,
 &end
#
#   50 GLN  HG2          40 VAL  MG2         5.00    (#   11866:29   Unique)
 &rst
  ixpk= 11866, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 714, 715,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HG21         40 VAL  MG2         5.00    (#   11867:29   Unique)
 &rst
  ixpk= 11867, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HN           33 THR  HA          5.00    (#   12470:29   Unique)
 &rst
  ixpk= 12470, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         33 THR  HA          5.00    (#   12703:29   Unique)
 &rst
  ixpk= 12703, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   65 ASP  HN           63 ILE  HG21        5.00    (#   13281:29   Unique)
 &rst
  ixpk= 13281, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  29-2:13284   63 ILE  HG21        2.70    (#   13284:29   Single Ambig)
 &rst
  ixpk= 13284, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 957, 307,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HA           63 ILE  HG21        5.00    (#   13285:29   Unique)
 &rst
  ixpk= 13285, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  29-2:13286   63 ILE  HG21        5.00    (#   13286:29   Single Ambig)
 &rst
  ixpk= 13286, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 954, 955, 951, 952,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HB           63 ILE  HG21        3.30    (#   13287:29   Unique)
 &rst
  ixpk= 13287, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 900, 901, 902,
 &end
#
#   22 ALA  HB1          63 ILE  HG21        5.00    (#   13289:29   Unique)
 &rst
  ixpk= 13289, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 igr2= 900, 901, 902,
 &end
#
#    6 ILE  HA            6 ILE  HG21        5.00    (#   13631:29   Unique)
 &rst
  ixpk= 13631, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  82,  83,  84,
 &end
#
#    0 AMB  29-2:13636    6 ILE  HG21        3.30    (#   13636:29   Single Ambig)
 &rst
  ixpk= 13636, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  80,  43,  44,
 igr2=  82,  83,  84,
 &end
#
#   42 MET  HG2          42 MET  HE1         5.00    (#   13799:29   Unique)
 &rst
  ixpk= 13799, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 581, 582,
 igr2= 587, 588, 589,
 &end
#
#    9 PRO  HD2           8 ILE  HG21        5.00    (#   13825:29   Unique)
 &rst
  ixpk= 13825, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 139, 140,
 igr2= 125, 126, 127,
 &end
#
#    8 ILE  HA            8 ILE  HG21        5.00    (#   13828:29   Unique)
 &rst
  ixpk= 13828, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  29-2:13829    8 ILE  HG21        3.30    (#   13829:29   Single Ambig)
 &rst
  ixpk= 13829, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 123,  80,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  29-2:13833   63 ILE  HG21        5.00    (#   13833:29   Single Ambig)
 &rst
  ixpk= 13833, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 954, 955, 951, 952,
 igr2= 900, 901, 902,
 &end
#
#   16 VAL  HN           16 VAL  HA          5.00    (#   14002:29   Unique)
 &rst
  ixpk= 14002, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           16 VAL  HA          5.00    (#   14003:29   Unique)
 &rst
  ixpk= 14003, iat= 253, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HB           16 VAL  HA          5.00    (#   14004:29   Unique)
 &rst
  ixpk= 14004, iat= 241, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:14005   16 VAL  HA          2.70    (#   14005:29   Single Ambig)
 &rst
  ixpk= 14005, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   16 VAL  HA           24 PRO  HA          5.00    (#   14207:29   Unique)
 &rst
  ixpk= 14207, iat= 239, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HB           20 SER  HB3         6.00    (#   14209:29   Unique)
 &rst
  ixpk= 14209, iat= 865, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  29-2:14218    0 AMB  29-1:14218  6.00    (#   14218:29   Double Ambig)
 &rst
  ixpk= 14218, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1122, 347,
 igr2=1148,1149, 239,
 &end
#
#   16 VAL  HA           24 PRO  HA          5.00    (#   14378:29   Unique)
 &rst
  ixpk= 14378, iat= 239, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           20 SER  HB3         3.30    (#   14385:29   Unique)
 &rst
  ixpk= 14385, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   20 SER  HG           20 SER  HB3         5.00    (#   14386:29   Unique)
 &rst
  ixpk= 14386, iat= 294, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           20 SER  HB2         5.00    (#   14392:29   Unique)
 &rst
  ixpk= 14392, iat= 294, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           30 THR  HA          2.70    (#   14394:29   Unique)
 &rst
  ixpk= 14394, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   61 THR  HA           30 THR  HA          5.00    (#   14395:29   Unique)
 &rst
  ixpk= 14395, iat= 863, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         30 THR  HA          3.30    (#   14397:29   Unique)
 &rst
  ixpk= 14397, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 426, 427, 428,
 &end
#
#   61 THR  HG21         30 THR  HA          3.30    (#   14398:29   Unique)
 &rst
  ixpk= 14398, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  29-2:14400   79 SER  HB1         6.00    (#   14400:29   Single Ambig)
 &rst
  ixpk= 14400, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1091,1107,
 igr2=1148,1149,
 &end
#
#   79 SER  HA           79 SER  HB1         5.00    (#   14401:29   Unique)
 &rst
  ixpk= 14401, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1148,1149,
 &end
#
#    0 AMB  29-2:14577   24 PRO  HA          5.00    (#   14577:29   Single Ambig)
 &rst
  ixpk= 14577, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 358, 315,
 &end
#
#   24 PRO  HB1          24 PRO  HA          3.30    (#   14581:29   Unique)
 &rst
  ixpk= 14581, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   24 PRO  HB2          24 PRO  HA          3.30    (#   14582:29   Unique)
 &rst
  ixpk= 14582, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   20 SER  HN           20 SER  HB2         5.00    (#   14586:29   Unique)
 &rst
  ixpk= 14586, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:14745   52 THR  HA          5.00    (#   14745:29   Single Ambig)
 &rst
  ixpk= 14745, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 759,
 &end
#
#    0 AMB  29-2:14874   52 THR  HA          5.00    (#   14874:29   Single Ambig)
 &rst
  ixpk= 14874, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 541, 724,
 &end
#
#   52 THR  HN           52 THR  HA          5.00    (#   14875:29   Unique)
 &rst
  ixpk= 14875, iat= 741, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HN           52 THR  HA          3.30    (#   14876:29   Unique)
 &rst
  ixpk= 14876, iat= 755, 743, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HA           52 THR  HA          5.00    (#   14877:29   Unique)
 &rst
  ixpk= 14877, iat= 526, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         52 THR  HA          3.30    (#   14880:29   Unique)
 &rst
  ixpk= 14880, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  29-2:15230   32 PRO  HA          5.00    (#   15230:29   Single Ambig)
 &rst
  ixpk= 15230, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#    0 AMB  29-2:15233   32 PRO  HA          5.00    (#   15233:29   Single Ambig)
 &rst
  ixpk= 15233, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 424,
 &end
#
#   32 PRO  HB1          32 PRO  HA          3.30    (#   15235:29   Unique)
 &rst
  ixpk= 15235, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,
 &end
#
#   32 PRO  HB2          32 PRO  HA          3.30    (#   15236:29   Unique)
 &rst
  ixpk= 15236, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,
 &end
#
#    0 AMB  29-2:15344   54 PRO  HA          5.00    (#   15344:29   Single Ambig)
 &rst
  ixpk= 15344, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 766, 767, 745,
 &end
#
#   54 PRO  HB1          54 PRO  HA          2.70    (#   15345:29   Unique)
 &rst
  ixpk= 15345, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 772, 773,
 &end
#
#    0 AMB  29-2:15346    0 AMB  29-1:15346  2.70    (#   15346:29   Double Ambig)
 &rst
  ixpk= 15346, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 772, 773,
 &end
#
#   57 GLN  HN           54 PRO  HA          5.00    (#   15349:29   Unique)
 &rst
  ixpk= 15349, iat= 806, 775, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HD1          54 PRO  HA          5.00    (#   15351:29   Unique)
 &rst
  ixpk= 15351, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   10 THR  HN            9 PRO  HA          3.30    (#   15489:29   Unique)
 &rst
  ixpk= 15489, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    9 PRO  HB2           9 PRO  HA          3.30    (#   15497:29   Unique)
 &rst
  ixpk= 15497, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 145, 146,
 &end
#
#   29 GLN  HN           28 PRO  HA          2.70    (#   15793:29   Unique)
 &rst
  ixpk= 15793, iat= 403, 399, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  29-2:15797   28 PRO  HA          3.30    (#   15797:29   Single Ambig)
 &rst
  ixpk= 15797, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 396, 397, 393, 394, 917, 918,
 &end
#
#   63 ILE  HD11         28 PRO  HA          5.00    (#   15798:29   Unique)
 &rst
  ixpk= 15798, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HA           28 PRO  HA          5.00    (#   15801:29   Unique)
 &rst
  ixpk= 15801, iat= 896, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HG2          28 PRO  HA          5.00    (#   15802:29   Unique)
 &rst
  ixpk= 15802, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 393, 394,
 &end
#
#    0 AMB  29-2:16153    2 VAL  HA          5.00    (#   16153:29   Single Ambig)
 &rst
  ixpk= 16153, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,  19,  20,  21,  15,  16,  17,  19,
        20,  21,
 &end
#
#   67 CYS  HN           66 PRO  HA          3.30    (#   16293:29   Unique)
 &rst
  ixpk= 16293, iat= 961, 957, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   23 LYS  HN           66 PRO  HA          5.00    (#   16296:29   Unique)
 &rst
  ixpk= 16296, iat= 315, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:16299   66 PRO  HA          5.00    (#   16299:29   Single Ambig)
 &rst
  ixpk= 16299, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HA          5.00    (#   16300:29   Unique)
 &rst
  ixpk= 16300, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         66 PRO  HA          3.30    (#   16301:29   Unique)
 &rst
  ixpk= 16301, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 900, 901, 902,
 &end
#
#    0 AMB  29-2:16426    0 AMB  29-1:16426  3.30    (#   16426:29   Double Ambig)
 &rst
  ixpk= 16426, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 158, 159, 160,  31,  32,  33,
 igr2= 154,  27,
 &end
#
#    0 AMB  29-2:16546    0 AMB  29-1:16546  5.00    (#   16546:29   Double Ambig)
 &rst
  ixpk= 16546, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 170,1124,1125,  49,  50,
 igr2= 154,  27,
 &end
#
#    0 AMB  29-2:16547    0 AMB  29-1:16547  5.00    (#   16547:29   Double Ambig)
 &rst
  ixpk= 16547, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  27, 154,
 &end
#
#   11 LEU  HN           10 THR  HA          3.30    (#   16548:29   Unique)
 &rst
  ixpk= 16548, iat= 166, 154, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HA           10 THR  HA          5.00    (#   16552:29   Unique)
 &rst
  ixpk= 16552, iat= 168, 154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:16766   63 ILE  HD11        5.00    (#   16766:29   Single Ambig)
 &rst
  ixpk= 16766, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 403,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16770   63 ILE  HD11        5.00    (#   16770:29   Single Ambig)
 &rst
  ixpk= 16770, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 399, 877,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16771   63 ILE  HD11        5.00    (#   16771:29   Single Ambig)
 &rst
  ixpk= 16771, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 307, 957,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HA           63 ILE  HD11        5.00    (#   16772:29   Unique)
 &rst
  ixpk= 16772, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16773   63 ILE  HD11        5.00    (#   16773:29   Single Ambig)
 &rst
  ixpk= 16773, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 300, 301, 291,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16774   63 ILE  HD11        5.00    (#   16774:29   Single Ambig)
 &rst
  ixpk= 16774, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 840, 841, 800,
 igr2= 907, 908, 909,
 &end
#
#   28 PRO  HG2          63 ILE  HD11        5.00    (#   16775:29   Unique)
 &rst
  ixpk= 16775, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HD11        3.30    (#   16776:29   Unique)
 &rst
  ixpk= 16776, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HG11         63 ILE  HD11        2.70    (#   16777:29   Unique)
 &rst
  ixpk= 16777, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 904, 905,
 igr2= 907, 908, 909,
 &end
#
#   15 ASP  HN           14 CYS  HA          2.70    (#   16893:29   Unique)
 &rst
  ixpk= 16893, iat= 225, 217, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   14 CYS  HN           14 CYS  HA          5.00    (#   16894:29   Unique)
 &rst
  ixpk= 16894, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB3          14 CYS  HA          5.00    (#   16896:29   Unique)
 &rst
  ixpk= 16896, iat= 220, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          14 CYS  HA          3.30    (#   16897:29   Unique)
 &rst
  ixpk= 16897, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   76 VAL  MGY          14 CYS  HA          5.00    (#   16899:29   Unique)
 &rst
  ixpk= 16899, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:16987    6 ILE  HA          5.00    (#   16987:29   Single Ambig)
 &rst
  ixpk= 16987, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    7 ARG  HN            6 ILE  HA          3.30    (#   17095:29   Unique)
 &rst
  ixpk= 17095, iat=  95,  78, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:17099    6 ILE  HA          5.00    (#   17099:29   Single Ambig)
 &rst
  ixpk= 17099, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    0 AMB  29-2:17100    6 ILE  HA          5.00    (#   17100:29   Single Ambig)
 &rst
  ixpk= 17100, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  89,  90,  91,
 &end
#
#    6 ILE  HB            6 ILE  HA          5.00    (#   17104:29   Unique)
 &rst
  ixpk= 17104, iat=  80,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 ILE  HA            0 AMB  29-1:17122  5.00    (#   17122:29   Single Ambig)
 &rst
  ixpk= 17122, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#    0 AMB  29-2:17123    0 AMB  29-1:17123  5.00    (#   17123:29   Double Ambig)
 &rst
  ixpk= 17123, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  80, 123,
 igr2=  89,  90,  91, 132, 133, 134,
 &end
#
#    0 AMB  29-2:17124    0 AMB  29-1:17124  2.70    (#   17124:29   Double Ambig)
 &rst
  ixpk= 17124, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  86,  87, 904, 905, 129, 130,
 igr2=  89,  90,  91, 907, 908, 909, 132, 133, 134,
 &end
#
#    0 AMB  29-2:17125    0 AMB  29-1:17125  3.30    (#   17125:29   Double Ambig)
 &rst
  ixpk= 17125, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  86,  87, 129, 130,
 igr2=  89,  90,  91, 132, 133, 134,
 &end
#
#    0 AMB  29-2:17337   49 VAL  HA          2.70    (#   17337:29   Single Ambig)
 &rst
  ixpk= 17337, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 707, 691,
 &end
#
#   41 GLN  HG1          49 VAL  HA          5.00    (#   17339:29   Unique)
 &rst
  ixpk= 17339, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#    0 AMB  29-2:17340   49 VAL  HA          3.30    (#   17340:29   Single Ambig)
 &rst
  ixpk= 17340, iat= 695, 693, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:17341   49 VAL  HA          6.00    (#   17341:29   Single Ambig)
 &rst
  ixpk= 17341, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 562,
 &end
#
#   49 VAL  MG1          49 VAL  HA          3.30    (#   17342:29   Unique)
 &rst
  ixpk= 17342, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 697, 698, 699,
 &end
#
#    0 AMB  29-2:17469   63 ILE  HA          5.00    (#   17469:29   Single Ambig)
 &rst
  ixpk= 17469, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 894, 403,
 &end
#
#   64 LYS  HN           63 ILE  HA          3.30    (#   17470:29   Unique)
 &rst
  ixpk= 17470, iat= 913, 896, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   28 PRO  HA           63 ILE  HA          5.00    (#   17472:29   Unique)
 &rst
  ixpk= 17472, iat= 399, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HB           63 ILE  HA          5.00    (#   17474:29   Unique)
 &rst
  ixpk= 17474, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HG11         63 ILE  HA          5.00    (#   17475:29   Unique)
 &rst
  ixpk= 17475, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HA          5.00    (#   17476:29   Unique)
 &rst
  ixpk= 17476, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         63 ILE  HA          3.30    (#   17477:29   Unique)
 &rst
  ixpk= 17477, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 900, 901, 902,
 &end
#
#   79 SER  HN           79 SER  HA          5.00    (#   17751:29   Unique)
 &rst
  ixpk= 17751, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           20 SER  HA          5.00    (#   17753:29   Unique)
 &rst
  ixpk= 17753, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:17754   20 SER  HA          6.00    (#   17754:29   Single Ambig)
 &rst
  ixpk= 17754, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1043, 282, 283,
 &end
#
#    0 AMB  29-2:17760   20 SER  HA          3.30    (#   17760:29   Single Ambig)
 &rst
  ixpk= 17760, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   79 SER  HB1          79 SER  HA          3.30    (#   17761:29   Unique)
 &rst
  ixpk= 17761, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1148,1149,
 &end
#
#   37 SER  HN           37 SER  HA          5.00    (#   17895:29   Unique)
 &rst
  ixpk= 17895, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           76 VAL  HA          5.00    (#   17977:29   Unique)
 &rst
  ixpk= 17977, iat=1089,1091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HN           76 VAL  HA          2.70    (#   17978:29   Unique)
 &rst
  ixpk= 17978, iat=1105,1091, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 VAL  HB           76 VAL  HA          2.70    (#   17982:29   Unique)
 &rst
  ixpk= 17982, iat=1093,1091, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   12 GLU  HB2          76 VAL  HA          6.00    (#   17983:29   Unique)
 &rst
  ixpk= 17983, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 189, 190,
 &end
#
#   76 VAL  MGX          76 VAL  HA          3.30    (#   17984:29   Unique)
 &rst
  ixpk= 17984, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         76 VAL  HA          5.00    (#   17985:29   Unique)
 &rst
  ixpk= 17985, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   68 ASN  HN           67 CYS  HA          3.30    (#   17991:29   Unique)
 &rst
  ixpk= 17991, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   67 CYS  HB3          67 CYS  HA          5.00    (#   17994:29   Unique)
 &rst
  ixpk= 17994, iat= 966, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HN           67 CYS  HA          5.00    (#   18123:29   Unique)
 &rst
  ixpk= 18123, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  HA           67 CYS  HA          5.00    (#   18125:29   Unique)
 &rst
  ixpk= 18125, iat= 317, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          67 CYS  HA          5.00    (#   18127:29   Unique)
 &rst
  ixpk= 18127, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  QB           67 CYS  HA          5.00    (#   18128:29   Unique)
 &rst
  ixpk= 18128, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 319, 320,
 &end
#
#    0 AMB  29-2:18129   67 CYS  HA          5.00    (#   18129:29   Single Ambig)
 &rst
  ixpk= 18129, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 322, 323, 322, 323,
 &end
#
#   41 GLN  HN           40 VAL  HA          3.30    (#   18258:29   Unique)
 &rst
  ixpk= 18258, iat= 557, 543, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:18260   40 VAL  HA          5.00    (#   18260:29   Single Ambig)
 &rst
  ixpk= 18260, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 541, 574,
 &end
#
#    0 AMB  29-2:18263   40 VAL  HA          5.00    (#   18263:29   Single Ambig)
 &rst
  ixpk= 18263, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 545, 759,
 &end
#
#    0 AMB  29-2:18264   40 VAL  HA          5.00    (#   18264:29   Single Ambig)
 &rst
  ixpk= 18264, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 561, 562, 528, 728,
 &end
#
#   40 VAL  MG1          40 VAL  HA          5.00    (#   18265:29   Unique)
 &rst
  ixpk= 18265, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HA          5.00    (#   18266:29   Unique)
 &rst
  ixpk= 18266, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#    0 AMB  29-2:18671    8 ILE  HA          5.00    (#   18671:29   Single Ambig)
 &rst
  ixpk= 18671, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    8 ILE  HN            8 ILE  HA          5.00    (#   18672:29   Unique)
 &rst
  ixpk= 18672, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HD1           8 ILE  HA          3.30    (#   18673:29   Unique)
 &rst
  ixpk= 18673, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    9 PRO  HD2           8 ILE  HA          3.30    (#   18674:29   Unique)
 &rst
  ixpk= 18674, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    8 ILE  HB            8 ILE  HA          5.00    (#   18676:29   Unique)
 &rst
  ixpk= 18676, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18677    8 ILE  HA          5.00    (#   18677:29   Single Ambig)
 &rst
  ixpk= 18677, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    8 ILE  HG21          8 ILE  HA          3.30    (#   18678:29   Unique)
 &rst
  ixpk= 18678, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 125, 126, 127,
 &end
#
#    0 AMB  29-2:18684   69 LYS  HA          5.00    (#   18684:29   Single Ambig)
 &rst
  ixpk= 18684, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1007,1017,
 &end
#
#   69 LYS  HN           69 LYS  HA          5.00    (#   18685:29   Unique)
 &rst
  ixpk= 18685, iat= 985, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18686    0 AMB  29-1:18686  3.30    (#   18686:29   Double Ambig)
 &rst
  ixpk= 18686, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 837, 838, 989,
 igr2= 832, 987,
 &end
#
#    0 AMB  29-2:18687   69 LYS  HA          3.30    (#   18687:29   Single Ambig)
 &rst
  ixpk= 18687, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 995, 996, 990,
 &end
#
#   69 LYS  HG2          69 LYS  HA          5.00    (#   18688:29   Unique)
 &rst
  ixpk= 18688, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   59 ARG  HN           59 ARG  HA          5.00    (#   18689:29   Unique)
 &rst
  ixpk= 18689, iat= 830, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18693   59 ARG  HA          5.00    (#   18693:29   Single Ambig)
 &rst
  ixpk= 18693, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 800,
 &end
#
#   59 ARG  QB           59 ARG  HA          3.30    (#   18694:29   Unique)
 &rst
  ixpk= 18694, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   31 CYS  HN           61 THR  HA          3.30    (#   18807:29   Unique)
 &rst
  ixpk= 18807, iat= 434, 863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HN           61 THR  HA          3.30    (#   18810:29   Unique)
 &rst
  ixpk= 18810, iat= 875, 863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   61 THR  HN           61 THR  HA          5.00    (#   18811:29   Unique)
 &rst
  ixpk= 18811, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18814   61 THR  HA          5.00    (#   18814:29   Single Ambig)
 &rst
  ixpk= 18814, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 422, 865,
 &end
#
#   61 THR  HG21         61 THR  HA          3.30    (#   18815:29   Unique)
 &rst
  ixpk= 18815, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#   47 PHE  HN           46 PHE  HA          5.00    (#   18851:29   Unique)
 &rst
  ixpk= 18851, iat= 661, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HD1          46 PHE  HA          5.00    (#   18852:29   Unique)
 &rst
  ixpk= 18852, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 649, 657,
 &end
#
#   46 PHE  HB+          46 PHE  HA          5.00    (#   18856:29   Unique)
 &rst
  ixpk= 18856, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   46 PHE  HB-          46 PHE  HA          5.00    (#   18857:29   Unique)
 &rst
  ixpk= 18857, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   60 GLY  HN           59 ARG  HA          5.00    (#   18863:29   Unique)
 &rst
  ixpk= 18863, iat= 854, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          61 THR  HA          5.00    (#   19016:29   Unique)
 &rst
  ixpk= 19016, iat= 439, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HB2          61 THR  HA          5.00    (#   19017:29   Unique)
 &rst
  ixpk= 19017, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 396, 397,
 &end
#
#   28 PRO  HD1          61 THR  HA          6.00    (#   19018:29   Unique)
 &rst
  ixpk= 19018, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 390, 391,
 &end
#
#    0 AMB  29-2:19019   61 THR  HA          6.00    (#   19019:29   Single Ambig)
 &rst
  ixpk= 19019, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 834, 835, 408,
 &end
#
#   62 LEU  HD21         61 THR  HA          5.00    (#   19021:29   Unique)
 &rst
  ixpk= 19021, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   63 ILE  HG11         61 THR  HA          6.00    (#   19023:29   Unique)
 &rst
  ixpk= 19023, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 904, 905,
 &end
#
#   73 HIS  HN           73 HIS  HA          5.00    (#   19048:29   Unique)
 &rst
  ixpk= 19048, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:19051   73 HIS  HA          3.30    (#   19051:29   Single Ambig)
 &rst
  ixpk= 19051, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1045,1046, 300, 301,
 &end
#
#   60 GLY  HA2          61 THR  HA          5.00    (#   19142:29   Unique)
 &rst
  ixpk= 19142, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   13 GLU  HN           13 GLU  HA          5.00    (#   19287:29   Unique)
 &rst
  ixpk= 19287, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HN           13 GLU  HA          3.30    (#   19288:29   Unique)
 &rst
  ixpk= 19288, iat= 215, 202, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   75 ARG  HA           13 GLU  HA          5.00    (#   19289:29   Unique)
 &rst
  ixpk= 19289, iat=1067, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:19290   13 GLU  HA          5.00    (#   19290:29   Single Ambig)
 &rst
  ixpk= 19290, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1075,1076, 220,
 &end
#
#   13 GLU  HB1          13 GLU  HA          3.30    (#   19291:29   Unique)
 &rst
  ixpk= 19291, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 204, 205,
 &end
#
#   13 GLU  HB2          13 GLU  HA          5.00    (#   19292:29   Unique)
 &rst
  ixpk= 19292, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#    0 AMB  29-2:19294   13 GLU  HA          5.00    (#   19294:29   Single Ambig)
 &rst
  ixpk= 19294, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1072,1073,1070,
 &end
#
#   55 HIS  HN           55 HIS  HA          6.00    (#   19484:29   Unique)
 &rst
  ixpk= 19484, iat= 779, 781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HD2          55 HIS  HA          6.00    (#   19486:29   Unique)
 &rst
  ixpk= 19486, iat= 792, 781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLY  HN           35 HIS  HA          5.00    (#   19500:29   Unique)
 &rst
  ixpk= 19500, iat= 499, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           35 HIS  HA          5.00    (#   19501:29   Unique)
 &rst
  ixpk= 19501, iat= 482, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         35 HIS  HA          6.00    (#   19504:29   Unique)
 &rst
  ixpk= 19504, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   64 LYS  HN           64 LYS  HA          5.00    (#   19512:29   Unique)
 &rst
  ixpk= 19512, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HN           64 LYS  HA          5.00    (#   19513:29   Unique)
 &rst
  ixpk= 19513, iat= 935, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:19520   64 LYS  HA          3.30    (#   19520:29   Single Ambig)
 &rst
  ixpk= 19520, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918, 917, 918,
 &end
#
#   64 LYS  HG2          64 LYS  HA          5.00    (#   19521:29   Unique)
 &rst
  ixpk= 19521, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 920, 921,
 &end
#
#    0 AMB  29-2:19522   64 LYS  HA          5.00    (#   19522:29   Single Ambig)
 &rst
  ixpk= 19522, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 888, 889, 890, 884, 885, 886,
 &end
#
#   57 GLN  HN           57 GLN  HA          5.00    (#   19523:29   Unique)
 &rst
  ixpk= 19523, iat= 806, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         57 GLN  HA          6.00    (#   19525:29   Unique)
 &rst
  ixpk= 19525, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  29-2:19527   57 GLN  HA          5.00    (#   19527:29   Single Ambig)
 &rst
  ixpk= 19527, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 810, 813, 814, 813, 814,
 &end
#
#   61 THR  HA           31 CYS  HN          5.00    (#     92:15   Unique)
 &rst
  ixpk= 92, iat= 863, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HA           31 CYS  HN          5.00    (#     93:15   Unique)
 &rst
  ixpk= 93, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HN           31 CYS  HN          6.00    (#     94:15   Unique)
 &rst
  ixpk= 94, iat= 875, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 CYS  HB3          31 CYS  HN          5.00    (#     95:15   Unique)
 &rst
  ixpk= 95, iat= 439, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          31 CYS  HN          5.00    (#     96:15   Unique)
 &rst
  ixpk= 96, iat= 438, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         31 CYS  HN          5.00    (#     97:15   Unique)
 &rst
  ixpk= 97, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   61 THR  HG21         31 CYS  HN          5.00    (#     98:15   Unique)
 &rst
  ixpk= 98, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   31 CYS  HA           31 CYS  HN          5.00    (#    100:15   Unique)
 &rst
  ixpk= 100, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           53 CYS  HN          5.00    (#    103:15   Unique)
 &rst
  ixpk= 103, iat= 526, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          53 CYS  HN          5.00    (#    104:15   Unique)
 &rst
  ixpk= 104, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#   53 CYS  HB2          53 CYS  HN          5.00    (#    105:15   Unique)
 &rst
  ixpk= 105, iat= 759, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:106     53 CYS  HN          6.00    (#    106:15   Single Ambig)
 &rst
  ixpk= 106, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 528, 728, 772, 773,
 &end
#
#   40 VAL  MG1          53 CYS  HN          6.00    (#    107:15   Unique)
 &rst
  ixpk= 107, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  HN           53 CYS  HN          5.00    (#    108:15   Unique)
 &rst
  ixpk= 108, iat= 541, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           53 CYS  HN          5.00    (#    111:15   Unique)
 &rst
  ixpk= 111, iat= 757, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HA           53 CYS  HN          3.30    (#    112:15   Unique)
 &rst
  ixpk= 112, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:113     53 CYS  HN          5.00    (#    113:15   Single Ambig)
 &rst
  ixpk= 113, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 745, 766, 767,
 &end
#
#   53 CYS  HB1          53 CYS  HN          5.00    (#    114:15   Unique)
 &rst
  ixpk= 114, iat= 760, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         53 CYS  HN          5.00    (#    115:15   Unique)
 &rst
  ixpk= 115, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   40 VAL  MG2          53 CYS  HN          5.00    (#    116:15   Unique)
 &rst
  ixpk= 116, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   76 VAL  HN           14 CYS  HN          5.00    (#    123:15   Unique)
 &rst
  ixpk= 123, iat=1089, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:124     14 CYS  HN          6.00    (#    124:15   Single Ambig)
 &rst
  ixpk= 124, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 200, 237,1105,
 &end
#
#   75 ARG  HA           14 CYS  HN          5.00    (#    126:15   Unique)
 &rst
  ixpk= 126, iat=1067, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA1          14 CYS  HN          5.00    (#    127:15   Unique)
 &rst
  ixpk= 127, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 282, 283,
 &end
#
#   13 GLU  HA           14 CYS  HN          3.30    (#    128:15   Unique)
 &rst
  ixpk= 128, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HB3          14 CYS  HN          5.00    (#    129:15   Unique)
 &rst
  ixpk= 129, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:130     14 CYS  HN          3.30    (#    130:15   Single Ambig)
 &rst
  ixpk= 130, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 219, 207, 208,
 &end
#
#   13 GLU  HB2          14 CYS  HN          5.00    (#    131:15   Unique)
 &rst
  ixpk= 131, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#    0 AMB  15-2:132     14 CYS  HN          5.00    (#    132:15   Single Ambig)
 &rst
  ixpk= 132, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1072,1073,1070,
 &end
#
#   76 VAL  MGY          14 CYS  HN          5.00    (#    133:15   Unique)
 &rst
  ixpk= 133, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HN           15 ASP  HN          6.00    (#    143:15   Unique)
 &rst
  ixpk= 143, iat= 215, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:144     15 ASP  HN          6.00    (#    144:15   Single Ambig)
 &rst
  ixpk= 144, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 253, 263,
 &end
#
#   15 ASP  HA           15 ASP  HN          5.00    (#    145:15   Unique)
 &rst
  ixpk= 145, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB2          15 ASP  HN          5.00    (#    146:15   Unique)
 &rst
  ixpk= 146, iat= 229, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:147     15 ASP  HN          5.00    (#    147:15   Single Ambig)
 &rst
  ixpk= 147, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 207, 208, 219,
 &end
#
#    0 AMB  15-2:148     15 ASP  HN          5.00    (#    148:15   Single Ambig)
 &rst
  ixpk= 148, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 995, 996, 241,
 &end
#
#   76 VAL  MGY          15 ASP  HN          5.00    (#    149:15   Unique)
 &rst
  ixpk= 149, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           15 ASP  HN          3.30    (#    151:15   Unique)
 &rst
  ixpk= 151, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HB3          15 ASP  HN          5.00    (#    152:15   Unique)
 &rst
  ixpk= 152, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  MG1          15 ASP  HN          6.00    (#    153:15   Unique)
 &rst
  ixpk= 153, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 &end
#
#   14 CYS  HB3          15 ASP  HN          5.00    (#    158:15   Unique)
 &rst
  ixpk= 158, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:160     64 LYS  HN          5.00    (#    160:15   Single Ambig)
 &rst
  ixpk= 160, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 917, 918, 917, 918,
 &end
#
#    6 ILE  HA            7 ARG  HN          5.00    (#    172:15   Unique)
 &rst
  ixpk= 172, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:174      7 ARG  HN          6.00    (#    174:15   Single Ambig)
 &rst
  ixpk= 174, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  89,  90,  91,  82,  83,  84,
 &end
#
#    0 AMB  15-2:189     68 ASN  HN          5.00    (#    189:15   Single Ambig)
 &rst
  ixpk= 189, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 973,1019,
 &end
#
#   67 CYS  HA           68 ASN  HN          5.00    (#    190:15   Unique)
 &rst
  ixpk= 190, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          68 ASN  HN          5.00    (#    191:15   Unique)
 &rst
  ixpk= 191, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#    0 AMB  15-2:193      8 ILE  HN          3.30    (#    193:15   Single Ambig (edited))
 &rst
  ixpk= 193, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 121,  97,
 &end
#
#    0 AMB  15-2:194      8 ILE  HN          5.00    (#    194:15   Single Ambig)
 &rst
  ixpk= 194, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 123,  80,
 &end
#
#    0 AMB  15-2:195      8 ILE  HN          5.00    (#    195:15   Single Ambig)
 &rst
  ixpk= 195, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    0 AMB  15-2:196      8 ILE  HN          5.00    (#    196:15   Single Ambig)
 &rst
  ixpk= 196, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    0 AMB  15-2:198      8 ILE  HN          5.00    (#    198:15   Single Ambig)
 &rst
  ixpk= 198, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 132, 133, 134,  82,  83,  84,
 &end
#
#   56 CYS  HN           55 HIS  HN          3.30    (#    206:15   Unique)
 &rst
  ixpk= 206, iat= 796, 779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HN           55 HIS  HN          5.00    (#    207:15   Unique)
 &rst
  ixpk= 207, iat= 806, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           55 HIS  HN          6.00    (#    208:15   Unique)
 &rst
  ixpk= 208, iat= 798, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HA           55 HIS  HN          5.00    (#    209:15   Unique)
 &rst
  ixpk= 209, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           55 HIS  HN          5.00    (#    210:15   Unique)
 &rst
  ixpk= 210, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HD1          55 HIS  HN          5.00    (#    211:15   Unique)
 &rst
  ixpk= 211, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   54 PRO  HD2          55 HIS  HN          5.00    (#    212:15   Unique)
 &rst
  ixpk= 212, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   55 HIS  HB1          55 HIS  HN          5.00    (#    213:15   Unique)
 &rst
  ixpk= 213, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   55 HIS  HB2          55 HIS  HN          5.00    (#    214:15   Unique)
 &rst
  ixpk= 214, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:215     55 HIS  HN          5.00    (#    215:15   Single Ambig)
 &rst
  ixpk= 215, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 769, 770, 772, 773,
 &end
#
#   54 PRO  HG2          55 HIS  HN          5.00    (#    216:15   Unique)
 &rst
  ixpk= 216, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
#   33 THR  HG21         55 HIS  HN          5.00    (#    217:15   Unique)
 &rst
  ixpk= 217, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   40 VAL  MG2          55 HIS  HN          6.00    (#    218:15   Unique)
 &rst
  ixpk= 218, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 &end
#
#    0 AMB  15-2:222     78 ARG  HN          3.30    (#    222:15   Single Ambig)
 &rst
  ixpk= 222, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   78 ARG  HA           78 ARG  HN          5.00    (#    223:15   Unique)
 &rst
  ixpk= 223, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HG1          78 ARG  HN          5.00    (#    224:15   Unique)
 &rst
  ixpk= 224, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#    0 AMB  15-2:225     78 ARG  HN          5.00    (#    225:15   Single Ambig)
 &rst
  ixpk= 225, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 192, 193,1112,1113,
 &end
#
#   78 ARG  HB+          78 ARG  HN          5.00    (#    226:15   Unique)
 &rst
  ixpk= 226, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   78 ARG  HB-          78 ARG  HN          5.00    (#    227:15   Unique)
 &rst
  ixpk= 227, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HD21         78 ARG  HN          5.00    (#    228:15   Unique)
 &rst
  ixpk= 228, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   21 GLY  HN           22 ALA  HN          5.00    (#    230:15   Unique)
 &rst
  ixpk= 230, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           22 ALA  HN          5.00    (#    233:15   Unique)
 &rst
  ixpk= 233, iat= 255, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           22 ALA  HN          5.00    (#    234:15   Unique)
 &rst
  ixpk= 234, iat= 289, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:235      0 AMB  15-1:235    5.00    (#    235:15   Double Ambig)
 &rst
  ixpk= 235, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 317,
 igr2= 305, 961,
 &end
#
#    0 AMB  15-2:236      0 AMB  15-1:236    5.00    (#    236:15   Double Ambig)
 &rst
  ixpk= 236, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 300, 301, 291,
 igr2= 305, 961,
 &end
#
#   17 CYS  HB3           0 AMB  15-1:237    5.00    (#    237:15   Single Ambig)
 &rst
  ixpk= 237, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 305, 961,
 &end
#
#   17 CYS  HB2          22 ALA  HN          5.00    (#    238:15   Unique)
 &rst
  ixpk= 238, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          22 ALA  HN          6.00    (#    239:15   Unique)
 &rst
  ixpk= 239, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   54 PRO  HB1          55 HIS  HN          6.00    (#    251:15   Unique)
 &rst
  ixpk= 251, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 772, 773,
 &end
#
#   43 ARG  HA           44 GLN  HN          5.00    (#    253:15   Unique)
 &rst
  ixpk= 253, iat= 595, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HG1          44 GLN  HN          6.00    (#    254:15   Unique)
 &rst
  ixpk= 254, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 624, 625,
 &end
#
#    0 AMB  15-2:255     44 GLN  HN          6.00    (#    255:15   Single Ambig)
 &rst
  ixpk= 255, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 621, 578, 579,
 &end
#
#    0 AMB  15-2:256     44 GLN  HN          5.00    (#    256:15   Single Ambig)
 &rst
  ixpk= 256, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 622, 578, 579,
 &end
#
#   47 PHE  HB3          48 ALA  HN          5.00    (#    257:15   Unique)
 &rst
  ixpk= 257, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HA           48 ALA  HN          3.30    (#    258:15   Unique)
 &rst
  ixpk= 258, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   47 PHE  HB2          48 ALA  HN          5.00    (#    259:15   Unique)
 &rst
  ixpk= 259, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          48 ALA  HN          3.30    (#    260:15   Unique)
 &rst
  ixpk= 260, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 685, 686, 687,
 &end
#
#   78 ARG  HA           79 SER  HN          2.70    (#    265:15   Unique)
 &rst
  ixpk= 265, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   79 SER  HB1          79 SER  HN          5.00    (#    266:15   Unique)
 &rst
  ixpk= 266, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1148,1149,
 &end
#
#   78 ARG  HB+          79 SER  HN          5.00    (#    267:15   Unique)
 &rst
  ixpk= 267, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   21 GLY  HA2           0 AMB  15-1:270    5.00    (#    270:15   Single Ambig)
 &rst
  ixpk= 270, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,
 igr2= 305, 961,
 &end
#
#   63 ILE  HD11         22 ALA  HN          5.00    (#    271:15   Unique)
 &rst
  ixpk= 271, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#    0 AMB  15-2:273     67 CYS  HN          3.30    (#    273:15   Single Ambig)
 &rst
  ixpk= 273, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 957, 307,1019,
 &end
#
#   67 CYS  HA           67 CYS  HN          5.00    (#    274:15   Unique)
 &rst
  ixpk= 274, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HN          5.00    (#    275:15   Unique)
 &rst
  ixpk= 275, iat= 966, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          67 CYS  HN          5.00    (#    276:15   Unique)
 &rst
  ixpk= 276, iat= 965, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:277     67 CYS  HN          5.00    (#    277:15   Single Ambig)
 &rst
  ixpk= 277, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          67 CYS  HN          5.00    (#    278:15   Unique)
 &rst
  ixpk= 278, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         67 CYS  HN          5.00    (#    279:15   Unique)
 &rst
  ixpk= 279, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#    0 AMB  15-2:294     42 MET  HN          5.00    (#    294:15   Single Ambig)
 &rst
  ixpk= 294, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 691, 557,
 &end
#
#   41 GLN  HA           42 MET  HN          3.30    (#    295:15   Unique)
 &rst
  ixpk= 295, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   42 MET  HA           42 MET  HN          5.00    (#    296:15   Unique)
 &rst
  ixpk= 296, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:297     42 MET  HN          5.00    (#    297:15   Single Ambig)
 &rst
  ixpk= 297, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 581, 582, 581, 582,
 &end
#
#   41 GLN  HG1          42 MET  HN          5.00    (#    298:15   Unique)
 &rst
  ixpk= 298, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  QB           42 MET  HN          5.00    (#    299:15   Unique)
 &rst
  ixpk= 299, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 562,
 &end
#
#    0 AMB  15-2:301     11 LEU  HN          6.00    (#    301:15   Single Ambig)
 &rst
  ixpk= 301, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1107, 148,
 &end
#
#   10 THR  HA           11 LEU  HN          3.30    (#    302:15   Unique)
 &rst
  ixpk= 302, iat= 154, 166, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HB2          11 LEU  HN          5.00    (#    303:15   Unique)
 &rst
  ixpk= 303, iat= 170, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HG           11 LEU  HN          5.00    (#    304:15   Unique)
 &rst
  ixpk= 304, iat= 173, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:305     11 LEU  HN          5.00    (#    305:15   Single Ambig)
 &rst
  ixpk= 305, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 171, 158, 159, 160,
 &end
#
#    0 AMB  15-2:306     11 LEU  HN          5.00    (#    306:15   Single Ambig)
 &rst
  ixpk= 306, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 175, 176, 177,1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         11 LEU  HN          5.00    (#    307:15   Unique)
 &rst
  ixpk= 307, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   69 LYS  HB2          69 LYS  HN          3.30    (#    317:15   Unique)
 &rst
  ixpk= 317, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:318     69 LYS  HN          5.00    (#    318:15   Single Ambig)
 &rst
  ixpk= 318, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   76 VAL  HN           77 GLU  HN          6.00    (#    319:15   Unique)
 &rst
  ixpk= 319, iat=1089,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ILE  HA           63 ILE  HN          6.00    (#    320:15   Unique)
 &rst
  ixpk= 320, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:321     63 ILE  HN          5.00    (#    321:15   Single Ambig)
 &rst
  ixpk= 321, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 904, 905, 879,
 &end
#
#    0 AMB  15-2:322     63 ILE  HN          5.00    (#    322:15   Single Ambig)
 &rst
  ixpk= 322, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 880, 920, 921,
 &end
#
#   62 LEU  HD21         63 ILE  HN          5.00    (#    323:15   Unique)
 &rst
  ixpk= 323, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   50 GLN  HA           50 GLN  HN          3.30    (#    324:15   Unique)
 &rst
  ixpk= 324, iat= 709, 707, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   70 CYS  HN           69 LYS  HN          3.30    (#    337:15   Unique)
 &rst
  ixpk= 337, iat=1007, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HA           69 LYS  HN          5.00    (#    338:15   Unique)
 &rst
  ixpk= 338, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HN          5.00    (#    339:15   Unique)
 &rst
  ixpk= 339, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          69 LYS  HN          5.00    (#    340:15   Unique)
 &rst
  ixpk= 340, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          69 LYS  HN          5.00    (#    341:15   Unique)
 &rst
  ixpk= 341, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   69 LYS  HB3          69 LYS  HN          5.00    (#    342:15   Unique)
 &rst
  ixpk= 342, iat= 990, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG2          69 LYS  HN          5.00    (#    343:15   Unique)
 &rst
  ixpk= 343, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   17 CYS  HN           16 VAL  HN          3.30    (#    345:15   Unique)
 &rst
  ixpk= 345, iat= 253, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           16 VAL  HN          5.00    (#    346:15   Unique)
 &rst
  ixpk= 346, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:347      0 AMB  15-1:347    5.00    (#    347:15   Double Ambig)
 &rst
  ixpk= 347, iat= 217, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:348      0 AMB  15-1:348    3.30    (#    348:15   Double Ambig)
 &rst
  ixpk= 348, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HB3          16 VAL  HN          6.00    (#    349:15   Unique)
 &rst
  ixpk= 349, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:350      0 AMB  15-1:350    2.70    (#    350:15   Double Ambig)
 &rst
  ixpk= 350, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   16 VAL  HB           16 VAL  HN          3.30    (#    351:15   Unique)
 &rst
  ixpk= 351, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:353     77 GLU  HN          2.70    (#    353:15   Single Ambig)
 &rst
  ixpk= 353, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1091,1107,
 &end
#
#   77 GLU  HG1          77 GLU  HN          5.00    (#    354:15   Unique)
 &rst
  ixpk= 354, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   76 VAL  HB           77 GLU  HN          3.30    (#    355:15   Unique)
 &rst
  ixpk= 355, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:356      0 AMB  15-1:356    3.30    (#    356:15   Double Ambig)
 &rst
  ixpk= 356, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HN          3.30    (#    358:15   Unique)
 &rst
  ixpk= 358, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:359     50 GLN  HN          5.00    (#    359:15   Single Ambig)
 &rst
  ixpk= 359, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 574,
 &end
#
#   49 VAL  HA           50 GLN  HN          2.70    (#    361:15   Unique)
 &rst
  ixpk= 361, iat= 693, 707, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  15-2:362     50 GLN  HN          5.00    (#    362:15   Single Ambig)
 &rst
  ixpk= 362, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 731, 732,
 &end
#
#    0 AMB  15-2:363     50 GLN  HN          3.30    (#    363:15   Single Ambig)
 &rst
  ixpk= 363, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 714, 715, 711, 712,
 &end
#
#    0 AMB  15-2:364     50 GLN  HN          3.30    (#    364:15   Single Ambig)
 &rst
  ixpk= 364, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 711, 712, 561, 562, 728,
 &end
#
#    0 AMB  15-2:365     50 GLN  HN          5.00    (#    365:15   Single Ambig)
 &rst
  ixpk= 365, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 697, 698, 699,
 &end
#
#    5 GLU  HA            6 ILE  HN          3.30    (#    367:15   Unique)
 &rst
  ixpk= 367, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    5 GLU  HB1           6 ILE  HN          6.00    (#    368:15   Unique)
 &rst
  ixpk= 368, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  65,  66,
 &end
#
#    0 AMB  15-2:369      6 ILE  HN          5.00    (#    369:15   Single Ambig)
 &rst
  ixpk= 369, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  80,  43,  44,
 &end
#
#   42 MET  HA           43 ARG  HN          3.30    (#    403:15   Unique)
 &rst
  ixpk= 403, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    4 LYS  HA            5 GLU  HN          5.00    (#    406:15   Unique)
 &rst
  ixpk= 406, iat=  41,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           23 LYS  HN          6.00    (#    408:15   Unique)
 &rst
  ixpk= 408, iat= 255, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:409     23 LYS  HN          3.30    (#    409:15   Single Ambig)
 &rst
  ixpk= 409, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 307, 957,
 &end
#
#   23 LYS  HA           23 LYS  HN          5.00    (#    410:15   Unique)
 &rst
  ixpk= 410, iat= 317, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:411     23 LYS  HN          5.00    (#    411:15   Single Ambig)
 &rst
  ixpk= 411, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 963, 338, 339,
 &end
#
#   24 PRO  HD2          23 LYS  HN          6.00    (#    412:15   Unique)
 &rst
  ixpk= 412, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 338, 339,
 &end
#
#   65 ASP  HB2          23 LYS  HN          6.00    (#    413:15   Unique)
 &rst
  ixpk= 413, iat= 939, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:414     23 LYS  HN          6.00    (#    414:15   Single Ambig)
 &rst
  ixpk= 414, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 954, 955, 951, 952, 341, 342,
 &end
#
#   23 LYS  QB           23 LYS  HN          3.30    (#    415:15   Unique)
 &rst
  ixpk= 415, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          23 LYS  HN          5.00    (#    416:15   Unique)
 &rst
  ixpk= 416, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-2:417     23 LYS  HN          5.00    (#    417:15   Single Ambig)
 &rst
  ixpk= 417, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 309, 310, 311, 364, 365, 366,
 &end
#
#   63 ILE  HG21         23 LYS  HN          5.00    (#    418:15   Unique)
 &rst
  ixpk= 418, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   12 GLU  HA           13 GLU  HN          2.70    (#    428:15   Unique)
 &rst
  ixpk= 428, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 GLU  HA           13 GLU  HN          5.00    (#    429:15   Unique)
 &rst
  ixpk= 429, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:430     13 GLU  HN          5.00    (#    430:15   Single Ambig)
 &rst
  ixpk= 430, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 207, 208, 192, 193,
 &end
#
#    0 AMB  15-2:431     13 GLU  HN          2.70    (#    431:15   Single Ambig)
 &rst
  ixpk= 431, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 204, 205, 189, 190,
 &end
#
#   39 GLN  HA           51 GLN  HN          6.00    (#    436:15   Unique)
 &rst
  ixpk= 436, iat= 526, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:438     51 GLN  HN          5.00    (#    438:15   Single Ambig)
 &rst
  ixpk= 438, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 707, 741,
 &end
#
#   50 GLN  HA           51 GLN  HN          2.70    (#    439:15   Unique)
 &rst
  ixpk= 439, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  15-2:440     51 GLN  HN          5.00    (#    440:15   Single Ambig)
 &rst
  ixpk= 440, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 731, 732, 564, 565,
 &end
#
#    0 AMB  15-2:441     51 GLN  HN          3.30    (#    441:15   Single Ambig)
 &rst
  ixpk= 441, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 728, 528, 561, 562,
 &end
#
#    0 AMB  15-2:442     51 GLN  HN          5.00    (#    442:15   Single Ambig)
 &rst
  ixpk= 442, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715, 578, 579,
 &end
#
#    0 AMB  15-2:443     51 GLN  HN          6.00    (#    443:15   Single Ambig)
 &rst
  ixpk= 443, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 701, 702, 703, 547, 548, 549,
 &end
#
#   40 VAL  MG2          51 GLN  HN          5.00    (#    444:15   Unique)
 &rst
  ixpk= 444, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   29 GLN  HA           30 THR  HN          5.00    (#    446:15   Unique)
 &rst
  ixpk= 446, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HB           30 THR  HN          5.00    (#    447:15   Unique)
 &rst
  ixpk= 447, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB1          30 THR  HN          6.00    (#    448:15   Unique)
 &rst
  ixpk= 448, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 407, 408,
 &end
#
#   30 THR  HG21         30 THR  HN          6.00    (#    449:15   Unique)
 &rst
  ixpk= 449, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   62 LEU  HN           29 GLN  HN          5.00    (#    461:15   Unique)
 &rst
  ixpk= 461, iat= 875, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           29 GLN  HN          2.70    (#    462:15   Unique)
 &rst
  ixpk= 462, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   29 GLN  HG1          29 GLN  HN          5.00    (#    463:15   Unique)
 &rst
  ixpk= 463, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#    0 AMB  15-2:464     29 GLN  HN          3.30    (#    464:15   Single Ambig)
 &rst
  ixpk= 464, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 396, 397, 917, 918,
 &end
#
#   61 THR  HG21         29 GLN  HN          6.00    (#    465:15   Unique)
 &rst
  ixpk= 465, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 867, 868, 869,
 &end
#
#   12 GLU  HB2          12 GLU  HN          5.00    (#    471:15   Unique)
 &rst
  ixpk= 471, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 189, 190,
 &end
#
#    0 AMB  15-2:472     12 GLU  HN          3.30    (#    472:15   Single Ambig)
 &rst
  ixpk= 472, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 170,1069,1124,1125,
 &end
#
#   75 ARG  HG2          12 GLU  HN          5.00    (#    473:15   Unique)
 &rst
  ixpk= 473, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1072,1073,
 &end
#
#   11 LEU  HA           12 GLU  HN          2.70    (#    477:15   Unique)
 &rst
  ixpk= 477, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   12 GLU  HA           12 GLU  HN          5.00    (#    478:15   Unique)
 &rst
  ixpk= 478, iat= 187, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:479     12 GLU  HN          5.00    (#    479:15   Single Ambig)
 &rst
  ixpk= 479, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1107,1091,
 &end
#
#   12 GLU  HG1          12 GLU  HN          5.00    (#    480:15   Unique)
 &rst
  ixpk= 480, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 192, 193,
 &end
#
#    0 AMB  15-2:481     12 GLU  HN          5.00    (#    481:15   Single Ambig)
 &rst
  ixpk= 481, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 189, 190,1109,1110,
 &end
#
#   11 LEU  HB3          12 GLU  HN          5.00    (#    482:15   Unique)
 &rst
  ixpk= 482, iat= 171, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          12 GLU  HN          5.00    (#    483:15   Unique)
 &rst
  ixpk= 483, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         12 GLU  HN          5.00    (#    484:15   Unique)
 &rst
  ixpk= 484, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   32 PRO  HD1          33 THR  HN          3.30    (#    487:15   Unique)
 &rst
  ixpk= 487, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 445, 446,
 &end
#
#    0 AMB  15-2:488     33 THR  HN          5.00    (#    488:15   Single Ambig)
 &rst
  ixpk= 488, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 884, 885, 886, 888, 889, 890,
 &end
#
#    0 AMB  15-2:489     29 GLN  HN          6.00    (#    489:15   Single Ambig)
 &rst
  ixpk= 489, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 863, 374,
 &end
#
#   29 GLN  HB1          29 GLN  HN          3.30    (#    490:15   Unique)
 &rst
  ixpk= 490, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 407, 408,
 &end
#
#   29 GLN  HB2          29 GLN  HN          5.00    (#    491:15   Unique)
 &rst
  ixpk= 491, iat= 407, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HB2          29 GLN  HN          6.00    (#    492:15   Unique)
 &rst
  ixpk= 492, iat= 879, 403, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 GLY  HN           59 ARG  HN          5.00    (#    494:15   Unique)
 &rst
  ixpk= 494, iat= 854, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           59 ARG  HN          5.00    (#    495:15   Unique)
 &rst
  ixpk= 495, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:496     59 ARG  HN          5.00    (#    496:15   Single Ambig)
 &rst
  ixpk= 496, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 861,
 &end
#
#   59 ARG  HA           59 ARG  HN          3.30    (#    497:15   Unique)
 &rst
  ixpk= 497, iat= 832, 830, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:498     59 ARG  HN          3.30    (#    498:15   Single Ambig)
 &rst
  ixpk= 498, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 800, 840, 841,
 &end
#
#    0 AMB  15-2:499     59 ARG  HN          5.00    (#    499:15   Single Ambig)
 &rst
  ixpk= 499, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#   59 ARG  QB           59 ARG  HN          3.30    (#    500:15   Unique)
 &rst
  ixpk= 500, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HN          3.30    (#    501:15   Unique)
 &rst
  ixpk= 501, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          59 ARG  HN          5.00    (#    502:15   Unique)
 &rst
  ixpk= 502, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  15-2:511     33 THR  HN          3.30    (#    511:15   Single Ambig)
 &rst
  ixpk= 511, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 472, 482,
 &end
#
#    0 AMB  15-2:512     33 THR  HN          5.00    (#    512:15   Single Ambig)
 &rst
  ixpk= 512, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 484,
 &end
#
#   33 THR  HB           33 THR  HN          3.30    (#    513:15   Unique)
 &rst
  ixpk= 513, iat= 462, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HA           33 THR  HN          3.30    (#    514:15   Unique)
 &rst
  ixpk= 514, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HG21         33 THR  HN          5.00    (#    515:15   Unique)
 &rst
  ixpk= 515, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  15-2:516     41 GLN  HN          5.00    (#    516:15   Single Ambig)
 &rst
  ixpk= 516, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 541,
 &end
#
#   40 VAL  HA           41 GLN  HN          3.30    (#    519:15   Unique)
 &rst
  ixpk= 519, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   40 VAL  HB           41 GLN  HN          3.30    (#    520:15   Unique)
 &rst
  ixpk= 520, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  QB           41 GLN  HN          3.30    (#    521:15   Unique)
 &rst
  ixpk= 521, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 561, 562,
 &end
#
#   40 VAL  MG1          41 GLN  HN          5.00    (#    522:15   Unique)
 &rst
  ixpk= 522, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          41 GLN  HN          5.00    (#    523:15   Unique)
 &rst
  ixpk= 523, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   39 GLN  HA           39 GLN  HN          5.00    (#    530:15   Unique)
 &rst
  ixpk= 530, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HA           39 GLN  HN          6.00    (#    531:15   Unique)
 &rst
  ixpk= 531, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HB2          39 GLN  HN          5.00    (#    532:15   Unique)
 &rst
  ixpk= 532, iat= 476, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:533     39 GLN  HN          5.00    (#    533:15   Single Ambig)
 &rst
  ixpk= 533, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 759,
 &end
#
#   39 GLN  HB2          39 GLN  HN          5.00    (#    534:15   Unique)
 &rst
  ixpk= 534, iat= 528, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLY  HN           39 GLN  HN          5.00    (#    535:15   Unique)
 &rst
  ixpk= 535, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  HN           39 GLN  HN          6.00    (#    536:15   Unique)
 &rst
  ixpk= 536, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:537     39 GLN  HN          5.00    (#    537:15   Single Ambig)
 &rst
  ixpk= 537, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 510, 511, 519, 520,
 &end
#
#   34 CYS  HB3          39 GLN  HN          3.30    (#    538:15   Unique)
 &rst
  ixpk= 538, iat= 477, 524, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HN           35 HIS  HN          5.00    (#    539:15   Unique)
 &rst
  ixpk= 539, iat= 458, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HN          5.00    (#    540:15   Unique)
 &rst
  ixpk= 540, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           35 HIS  HN          5.00    (#    541:15   Unique)
 &rst
  ixpk= 541, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:542     35 HIS  HN          2.70    (#    542:15   Single Ambig)
 &rst
  ixpk= 542, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 484, 454,
 &end
#
#    0 AMB  15-2:543     35 HIS  HN          5.00    (#    543:15   Single Ambig)
 &rst
  ixpk= 543, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 486, 477,
 &end
#
#   31 CYS  HB3          35 HIS  HN          6.00    (#    544:15   Unique)
 &rst
  ixpk= 544, iat= 439, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HG21         35 HIS  HN          6.00    (#    545:15   Unique)
 &rst
  ixpk= 545, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#   30 THR  HG21         35 HIS  HN          5.00    (#    546:15   Unique)
 &rst
  ixpk= 546, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  15-2:554     62 LEU  HN          5.00    (#    554:15   Single Ambig)
 &rst
  ixpk= 554, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 403, 894,
 &end
#
#   31 CYS  HN           62 LEU  HN          5.00    (#    555:15   Unique)
 &rst
  ixpk= 555, iat= 434, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           62 LEU  HN          3.30    (#    556:15   Unique)
 &rst
  ixpk= 556, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HA           62 LEU  HN          5.00    (#    557:15   Unique)
 &rst
  ixpk= 557, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:558     62 LEU  HN          3.30    (#    558:15   Single Ambig)
 &rst
  ixpk= 558, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 865, 422, 445, 446,
 &end
#
#   29 GLN  HB1          62 LEU  HN          5.00    (#    559:15   Unique)
 &rst
  ixpk= 559, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#    0 AMB  15-2:560     62 LEU  HN          6.00    (#    560:15   Single Ambig)
 &rst
  ixpk= 560, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 396, 397, 917, 918, 917, 918,
 &end
#
#   62 LEU  HB2          62 LEU  HN          5.00    (#    561:15   Unique)
 &rst
  ixpk= 561, iat= 879, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         62 LEU  HN          5.00    (#    563:15   Unique)
 &rst
  ixpk= 563, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  15-2:564     62 LEU  HN          5.00    (#    564:15   Single Ambig)
 &rst
  ixpk= 564, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 884, 885, 886, 888, 889, 890,
 &end
#
#   33 THR  HA           35 HIS  HN          6.00    (#    566:15   Unique)
 &rst
  ixpk= 566, iat= 460, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HN           18 HIS  HN          5.00    (#    567:15   Unique)
 &rst
  ixpk= 567, iat= 237, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           18 HIS  HN          5.00    (#    568:15   Unique)
 &rst
  ixpk= 568, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           18 HIS  HN          5.00    (#    570:15   Unique)
 &rst
  ixpk= 570, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           18 HIS  HN          3.30    (#    571:15   Unique)
 &rst
  ixpk= 571, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           18 HIS  HN          5.00    (#    572:15   Unique)
 &rst
  ixpk= 572, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          18 HIS  HN          3.30    (#    573:15   Unique)
 &rst
  ixpk= 573, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 267, 268,
 &end
#
#    0 AMB  15-2:574     18 HIS  HN          6.00    (#    574:15   Single Ambig)
 &rst
  ixpk= 574, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 257, 230,
 &end
#
#    0 AMB  15-2:575     18 HIS  HN          5.00    (#    575:15   Single Ambig)
 &rst
  ixpk= 575, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 219, 207, 208,
 &end
#
#    0 AMB  15-2:576     18 HIS  HN          6.00    (#    576:15   Single Ambig)
 &rst
  ixpk= 576, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 241, 344, 345,
 &end
#
#    0 AMB  15-2:577     18 HIS  HN          5.00    (#    577:15   Single Ambig)
 &rst
  ixpk= 577, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   69 LYS  HN           71 HIS  HN          6.00    (#    578:15   Unique)
 &rst
  ixpk= 578, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYS  HA           71 HIS  HN          5.00    (#    581:15   Unique)
 &rst
  ixpk= 581, iat=1009,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           71 HIS  HN          2.70    (#    582:15   Unique)
 &rst
  ixpk= 582, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  15-2:583     71 HIS  HN          3.30    (#    583:15   Single Ambig)
 &rst
  ixpk= 583, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1021,1022,1045,1046,
 &end
#
#    0 AMB  15-2:584     71 HIS  HN          5.00    (#    584:15   Single Ambig)
 &rst
  ixpk= 584, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 954, 955, 990,
 &end
#
#   52 THR  HA           52 THR  HN          5.00    (#    590:15   Unique)
 &rst
  ixpk= 590, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HB           52 THR  HN          3.30    (#    591:15   Unique)
 &rst
  ixpk= 591, iat= 745, 741, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   51 GLN  HG1          52 THR  HN          5.00    (#    592:15   Unique)
 &rst
  ixpk= 592, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:593     49 VAL  HN          5.00    (#    593:15   Single Ambig)
 &rst
  ixpk= 593, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 597, 598, 578, 579,
 &end
#
#   52 THR  HG21         52 THR  HN          5.00    (#    594:15   Unique)
 &rst
  ixpk= 594, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  15-2:597     49 VAL  HN          5.00    (#    597:15   Single Ambig)
 &rst
  ixpk= 597, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 621, 578, 579, 714, 715, 711, 712,
 &end
#
#   42 MET  HN           49 VAL  HN          5.00    (#    598:15   Unique)
 &rst
  ixpk= 598, iat= 574, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 VAL  HA           49 VAL  HN          5.00    (#    599:15   Unique)
 &rst
  ixpk= 599, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          49 VAL  HN          5.00    (#    600:15   Unique)
 &rst
  ixpk= 600, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   49 VAL  MG2          49 VAL  HN          5.00    (#    601:15   Unique)
 &rst
  ixpk= 601, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#   65 ASP  HA           65 ASP  HN          5.00    (#    603:15   Unique)
 &rst
  ixpk= 603, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB2          65 ASP  HN          5.00    (#    605:15   Unique)
 &rst
  ixpk= 605, iat= 939, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB3          65 ASP  HN          5.00    (#    606:15   Unique)
 &rst
  ixpk= 606, iat= 940, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:607     65 ASP  HN          6.00    (#    607:15   Single Ambig)
 &rst
  ixpk= 607, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 309, 310, 311, 364, 365, 366,
 &end
#
#   63 ILE  HG21         65 ASP  HN          5.00    (#    608:15   Unique)
 &rst
  ixpk= 608, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   74 GLY  HN           73 HIS  HN          5.00    (#    609:15   Unique)
 &rst
  ixpk= 609, iat=1058,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HN          5.00    (#    613:15   Unique)
 &rst
  ixpk= 613, iat=1054,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           73 HIS  HN          5.00    (#    614:15   Unique)
 &rst
  ixpk= 614, iat=1065,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HA1          73 HIS  HN          5.00    (#    615:15   Unique)
 &rst
  ixpk= 615, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  HA           73 HIS  HN          5.00    (#    616:15   Unique)
 &rst
  ixpk= 616, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:617     73 HIS  HN          2.70    (#    617:15   Single Ambig)
 &rst
  ixpk= 617, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 300, 301,1045,1046,
 &end
#
#   70 CYS  HB3          73 HIS  HN          5.00    (#    618:15   Unique)
 &rst
  ixpk= 618, iat=1012,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:631     47 PHE  HN          5.00    (#    631:15   Single Ambig)
 &rst
  ixpk= 631, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 669, 677, 671, 675,
 &end
#
#   46 PHE  HA           47 PHE  HN          5.00    (#    633:15   Unique)
 &rst
  ixpk= 633, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          47 PHE  HN          5.00    (#    634:15   Unique)
 &rst
  ixpk= 634, iat= 666, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          47 PHE  HN          5.00    (#    635:15   Unique)
 &rst
  ixpk= 635, iat= 665, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HB-          47 PHE  HN          6.00    (#    636:15   Unique)
 &rst
  ixpk= 636, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   55 HIS  HN           57 GLN  HN          5.00    (#    637:15   Unique)
 &rst
  ixpk= 637, iat= 779, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           57 GLN  HN          5.00    (#    641:15   Unique)
 &rst
  ixpk= 641, iat= 775, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           57 GLN  HN          3.30    (#    642:15   Unique)
 &rst
  ixpk= 642, iat= 808, 806, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:643     57 GLN  HN          5.00    (#    643:15   Single Ambig)
 &rst
  ixpk= 643, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#    0 AMB  15-2:644     57 GLN  HN          6.00    (#    644:15   Single Ambig)
 &rst
  ixpk= 644, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 834, 835,
 &end
#
#   52 THR  HG21         57 GLN  HN          5.00    (#    645:15   Unique)
 &rst
  ixpk= 645, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   56 CYS  HA           57 GLN  HN          5.00    (#    646:15   Unique)
 &rst
  ixpk= 646, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HA           27 GLN  HN          6.00    (#    651:15   Unique)
 &rst
  ixpk= 651, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 THR  HB           27 GLN  HN          5.00    (#    652:15   Unique)
 &rst
  ixpk= 652, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HG1          27 GLN  HN          5.00    (#    653:15   Unique)
 &rst
  ixpk= 653, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 380,
 &end
#
#   21 GLY  HN           20 SER  HN          5.00    (#    665:15   Unique)
 &rst
  ixpk= 665, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           20 SER  HN          6.00    (#    669:15   Unique)
 &rst
  ixpk= 669, iat= 294, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           20 SER  HN          5.00    (#    670:15   Unique)
 &rst
  ixpk= 670, iat= 265, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           20 SER  HN          5.00    (#    671:15   Unique)
 &rst
  ixpk= 671, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:672     20 SER  HN          5.00    (#    672:15   Single Ambig)
 &rst
  ixpk= 672, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 291, 300, 301,
 &end
#
#   17 CYS  HB3          20 SER  HN          5.00    (#    673:15   Unique)
 &rst
  ixpk= 673, iat= 258, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          20 SER  HN          5.00    (#    674:15   Unique)
 &rst
  ixpk= 674, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   17 CYS  HB2          20 SER  HN          6.00    (#    675:15   Unique)
 &rst
  ixpk= 675, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:676     20 SER  HN          6.00    (#    676:15   Single Ambig)
 &rst
  ixpk= 676, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 207, 208, 965,
 &end
#
#   33 THR  HN           34 CYS  HN          5.00    (#    677:15   Unique)
 &rst
  ixpk= 677, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HN          5.00    (#    679:15   Unique)
 &rst
  ixpk= 679, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:680     34 CYS  HN          5.00    (#    680:15   Single Ambig)
 &rst
  ixpk= 680, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 484,
 &end
#
#   33 THR  HB           34 CYS  HN          3.30    (#    681:15   Unique)
 &rst
  ixpk= 681, iat= 462, 472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HA           34 CYS  HN          5.00    (#    682:15   Unique)
 &rst
  ixpk= 682, iat= 460, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:683     34 CYS  HN          6.00    (#    683:15   Single Ambig)
 &rst
  ixpk= 683, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 445, 446, 766, 767, 424,
 &end
#
#   34 CYS  HB3          34 CYS  HN          5.00    (#    684:15   Unique)
 &rst
  ixpk= 684, iat= 477, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:685     34 CYS  HN          5.00    (#    685:15   Single Ambig)
 &rst
  ixpk= 685, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 439, 760,
 &end
#
#   34 CYS  HB2          34 CYS  HN          5.00    (#    686:15   Unique)
 &rst
  ixpk= 686, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          34 CYS  HN          5.00    (#    687:15   Unique)
 &rst
  ixpk= 687, iat= 438, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         34 CYS  HN          5.00    (#    688:15   Unique)
 &rst
  ixpk= 688, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   40 VAL  MG1          34 CYS  HN          6.00    (#    689:15   Unique)
 &rst
  ixpk= 689, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   38 GLY  HN           37 SER  HN          5.00    (#    702:15   Unique)
 &rst
  ixpk= 702, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           37 SER  HN          5.00    (#    703:15   Unique)
 &rst
  ixpk= 703, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HA1          37 SER  HN          5.00    (#    708:15   Unique)
 &rst
  ixpk= 708, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#    0 AMB  15-2:709     37 SER  HN          5.00    (#    709:15   Single Ambig)
 &rst
  ixpk= 709, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 484,
 &end
#
#   37 SER  HB1          37 SER  HN          3.30    (#    710:15   Unique)
 &rst
  ixpk= 710, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 510, 511,
 &end
#
#   35 HIS  HB2          37 SER  HN          5.00    (#    711:15   Unique)
 &rst
  ixpk= 711, iat= 486, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         37 SER  HN          6.00    (#    712:15   Unique)
 &rst
  ixpk= 712, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   74 GLY  HN           75 ARG  HN          5.00    (#    713:15   Unique)
 &rst
  ixpk= 713, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           75 ARG  HN          5.00    (#    714:15   Unique)
 &rst
  ixpk= 714, iat=1089,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HN           75 ARG  HN          6.00    (#    715:15   Unique)
 &rst
  ixpk= 715, iat=1041,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           75 ARG  HN          5.00    (#    717:15   Unique)
 &rst
  ixpk= 717, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:718     75 ARG  HN          6.00    (#    718:15   Single Ambig)
 &rst
  ixpk= 718, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1009,1036,1037,
 &end
#
#    0 AMB  15-2:719     75 ARG  HN          5.00    (#    719:15   Single Ambig)
 &rst
  ixpk= 719, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1043, 282, 283,
 &end
#
#    0 AMB  15-2:720     75 ARG  HN          5.00    (#    720:15   Single Ambig)
 &rst
  ixpk= 720, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#    0 AMB  15-2:721     75 ARG  HN          5.00    (#    721:15   Single Ambig)
 &rst
  ixpk= 721, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB3          75 ARG  HN          5.00    (#    722:15   Unique)
 &rst
  ixpk= 722, iat=1012,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:723     75 ARG  HN          5.00    (#    723:15   Single Ambig)
 &rst
  ixpk= 723, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 220,1075,1076,
 &end
#
#   70 CYS  HB2          75 ARG  HN          5.00    (#    724:15   Unique)
 &rst
  ixpk= 724, iat=1011,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          75 ARG  HN          6.00    (#    725:15   Unique)
 &rst
  ixpk= 725, iat= 219,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HB2          75 ARG  HN          5.00    (#    726:15   Unique)
 &rst
  ixpk= 726, iat=1069,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HG2          75 ARG  HN          5.00    (#    727:15   Unique)
 &rst
  ixpk= 727, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1072,1073,
 &end
#
#    0 AMB  15-2:728     75 ARG  HN          5.00    (#    728:15   Single Ambig)
 &rst
  ixpk= 728, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1070,1072,1073,
 &end
#
#   76 VAL  MGX          75 ARG  HN          5.00    (#    729:15   Unique)
 &rst
  ixpk= 729, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   77 GLU  HN           76 VAL  HN          6.00    (#    735:15   Unique)
 &rst
  ixpk= 735, iat=1105,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HN           76 VAL  HN          6.00    (#    736:15   Unique)
 &rst
  ixpk= 736, iat= 215,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HN           76 VAL  HN          6.00    (#    737:15   Unique)
 &rst
  ixpk= 737, iat=1065,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 PRO  HA           10 THR  HN          3.30    (#    741:15   Unique)
 &rst
  ixpk= 741, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 THR  HA           10 THR  HN          5.00    (#    742:15   Unique)
 &rst
  ixpk= 742, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           10 THR  HN          5.00    (#    743:15   Unique)
 &rst
  ixpk= 743, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:744     10 THR  HN          5.00    (#    744:15   Single Ambig)
 &rst
  ixpk= 744, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 145, 146,1112,1113,
 &end
#
#    0 AMB  15-2:745     10 THR  HN          5.00    (#    745:15   Single Ambig)
 &rst
  ixpk= 745, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1124,1125, 145, 146,
 &end
#
#   10 THR  HG21         10 THR  HN          5.00    (#    746:15   Unique)
 &rst
  ixpk= 746, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 158, 159, 160,
 &end
#
#   16 VAL  HN           17 CYS  HN          5.00    (#    747:15   Unique)
 &rst
  ixpk= 747, iat= 237, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           17 CYS  HN          6.00    (#    748:15   Unique)
 &rst
  ixpk= 748, iat= 280, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HA           17 CYS  HN          5.00    (#    750:15   Unique)
 &rst
  ixpk= 750, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           17 CYS  HN          5.00    (#    751:15   Unique)
 &rst
  ixpk= 751, iat= 265, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA           17 CYS  HN          5.00    (#    752:15   Unique)
 &rst
  ixpk= 752, iat= 239, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          17 CYS  HN          5.00    (#    753:15   Unique)
 &rst
  ixpk= 753, iat= 258, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB2          17 CYS  HN          5.00    (#    754:15   Unique)
 &rst
  ixpk= 754, iat= 257, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:755     17 CYS  HN          6.00    (#    755:15   Single Ambig)
 &rst
  ixpk= 755, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 219, 341, 342,
 &end
#
#   16 VAL  HB           17 CYS  HN          3.30    (#    756:15   Unique)
 &rst
  ixpk= 756, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:757     17 CYS  HN          5.00    (#    757:15   Single Ambig)
 &rst
  ixpk= 757, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   75 ARG  HA           76 VAL  HN          5.00    (#    769:15   Unique)
 &rst
  ixpk= 769, iat=1067,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HA           76 VAL  HN          6.00    (#    770:15   Unique)
 &rst
  ixpk= 770, iat= 168,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:771     76 VAL  HN          5.00    (#    771:15   Single Ambig)
 &rst
  ixpk= 771, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1091,1107,
 &end
#
#   13 GLU  HA           76 VAL  HN          5.00    (#    772:15   Unique)
 &rst
  ixpk= 772, iat= 202,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:773     76 VAL  HN          6.00    (#    773:15   Single Ambig)
 &rst
  ixpk= 773, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1075,1076, 220,
 &end
#
#    0 AMB  15-2:774     76 VAL  HN          5.00    (#    774:15   Single Ambig)
 &rst
  ixpk= 774, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1093, 192, 193, 207, 208,
 &end
#
#   13 GLU  HB1          76 VAL  HN          6.00    (#    775:15   Unique)
 &rst
  ixpk= 775, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 204, 205,
 &end
#
#   75 ARG  HB2          76 VAL  HN          5.00    (#    776:15   Unique)
 &rst
  ixpk= 776, iat=1069,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:777     76 VAL  HN          5.00    (#    777:15   Single Ambig)
 &rst
  ixpk= 777, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1070,1072,1073,
 &end
#
#   11 LEU  HB3          76 VAL  HN          6.00    (#    778:15   Unique)
 &rst
  ixpk= 778, iat= 171,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  MGY          76 VAL  HN          3.30    (#    779:15   Unique)
 &rst
  ixpk= 779, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   34 CYS  HB2          38 GLY  HN          5.00    (#    785:15   Unique)
 &rst
  ixpk= 785, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HN           38 GLY  HN          5.00    (#    802:15   Unique)
 &rst
  ixpk= 802, iat= 524, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HN           38 GLY  HN          5.00    (#    803:15   Unique)
 &rst
  ixpk= 803, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:804     38 GLY  HN          6.00    (#    804:15   Single Ambig)
 &rst
  ixpk= 804, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 482, 472, 830,
 &end
#
#    0 AMB  15-2:806     38 GLY  HN          5.00    (#    806:15   Single Ambig)
 &rst
  ixpk= 806, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 484,
 &end
#
#   60 GLY  HA1          38 GLY  HN          3.30    (#    807:15   Unique)
 &rst
  ixpk= 807, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 856, 857,
 &end
#
#   38 GLY  HA2          38 GLY  HN          3.30    (#    808:15   Unique)
 &rst
  ixpk= 808, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 519, 520,
 &end
#
#    0 AMB  15-2:809     38 GLY  HN          6.00    (#    809:15   Single Ambig)
 &rst
  ixpk= 809, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 531, 532,
 &end
#
#   55 HIS  HN           56 CYS  HN          3.30    (#    811:15   Unique)
 &rst
  ixpk= 811, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   56 CYS  HA           56 CYS  HN          5.00    (#    815:15   Unique)
 &rst
  ixpk= 815, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           56 CYS  HN          5.00    (#    816:15   Unique)
 &rst
  ixpk= 816, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:817     56 CYS  HN          5.00    (#    817:15   Single Ambig)
 &rst
  ixpk= 817, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 808, 519, 520,
 &end
#
#    0 AMB  15-2:818     56 CYS  HN          5.00    (#    818:15   Single Ambig)
 &rst
  ixpk= 818, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 783, 784, 800,
 &end
#
#   53 CYS  HB1          56 CYS  HN          6.00    (#    819:15   Unique)
 &rst
  ixpk= 819, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HB2          56 CYS  HN          5.00    (#    820:15   Unique)
 &rst
  ixpk= 820, iat= 783, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          56 CYS  HN          5.00    (#    821:15   Unique)
 &rst
  ixpk= 821, iat= 801, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:822     56 CYS  HN          5.00    (#    822:15   Single Ambig)
 &rst
  ixpk= 822, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#   53 CYS  HB2          56 CYS  HN          5.00    (#    823:15   Unique)
 &rst
  ixpk= 823, iat= 759, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HN          5.00    (#    824:15   Unique)
 &rst
  ixpk= 824, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   69 LYS  HA           70 CYS  HN          5.00    (#    835:15   Unique)
 &rst
  ixpk= 835, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB2          70 CYS  HN          5.00    (#    836:15   Unique)
 &rst
  ixpk= 836, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          70 CYS  HN          5.00    (#    837:15   Unique)
 &rst
  ixpk= 837, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          70 CYS  HN          5.00    (#    839:15   Unique)
 &rst
  ixpk= 839, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HN           70 CYS  HN          5.00    (#    840:15   Unique)
 &rst
  ixpk= 840, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:841     70 CYS  HN          5.00    (#    841:15   Single Ambig)
 &rst
  ixpk= 841, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019, 957,
 &end
#
#   67 CYS  HB3          70 CYS  HN          5.00    (#    842:15   Unique)
 &rst
  ixpk= 842, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HN           21 GLY  HN          5.00    (#    860:15   Unique)
 &rst
  ixpk= 860, iat= 305, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           21 GLY  HN          5.00    (#    861:15   Unique)
 &rst
  ixpk= 861, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           21 GLY  HN          5.00    (#    862:15   Unique)
 &rst
  ixpk= 862, iat= 255, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:863     21 GLY  HN          6.00    (#    863:15   Single Ambig)
 &rst
  ixpk= 863, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 282, 283, 307,
 &end
#
#   20 SER  HA           21 GLY  HN          5.00    (#    864:15   Unique)
 &rst
  ixpk= 864, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:866     21 GLY  HN          3.30    (#    866:15   Single Ambig)
 &rst
  ixpk= 866, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 300, 301,1060,1061, 291,
 &end
#
#   17 CYS  HB3          21 GLY  HN          5.00    (#    867:15   Unique)
 &rst
  ixpk= 867, iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:868     21 GLY  HN          5.00    (#    868:15   Single Ambig)
 &rst
  ixpk= 868, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,1045,1046,
 &end
#
#   17 CYS  HB2          21 GLY  HN          5.00    (#    869:15   Unique)
 &rst
  ixpk= 869, iat= 257, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          21 GLY  HN          6.00    (#    870:15   Unique)
 &rst
  ixpk= 870, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HD11         21 GLY  HN          6.00    (#    871:15   Unique)
 &rst
  ixpk= 871, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#    0 AMB  15-2:872     40 VAL  HN          5.00    (#    872:15   Single Ambig)
 &rst
  ixpk= 872, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 528, 728,
 &end
#
#   70 CYS  HA           70 CYS  HN          5.00    (#    873:15   Unique)
 &rst
  ixpk= 873, iat=1009,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB3          70 CYS  HN          5.00    (#    874:15   Unique)
 &rst
  ixpk= 874, iat=1012,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          70 CYS  HN          6.00    (#    875:15   Unique)
 &rst
  ixpk= 875, iat=1011,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 GLN  HN           40 VAL  HN          6.00    (#    892:15   Unique)
 &rst
  ixpk= 892, iat= 557, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 CYS  HN           40 VAL  HN          5.00    (#    893:15   Unique)
 &rst
  ixpk= 893, iat= 755, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           40 VAL  HN          5.00    (#    894:15   Unique)
 &rst
  ixpk= 894, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  HA           40 VAL  HN          5.00    (#    895:15   Unique)
 &rst
  ixpk= 895, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:896     40 VAL  HN          5.00    (#    896:15   Single Ambig)
 &rst
  ixpk= 896, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 743, 766, 767,
 &end
#
#    0 AMB  15-2:897     40 VAL  HN          5.00    (#    897:15   Single Ambig)
 &rst
  ixpk= 897, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 564, 565,
 &end
#
#    0 AMB  15-2:898     40 VAL  HN          3.30    (#    898:15   Single Ambig)
 &rst
  ixpk= 898, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 531, 532, 759, 545,
 &end
#
#   39 GLN  HB3          40 VAL  HN          5.00    (#    899:15   Unique)
 &rst
  ixpk= 899, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  MG1          40 VAL  HN          5.00    (#    900:15   Unique)
 &rst
  ixpk= 900, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HN          5.00    (#    901:15   Unique)
 &rst
  ixpk= 901, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#    0 AMB  15-2:917     26 THR  HN          5.00    (#    917:15   Single Ambig)
 &rst
  ixpk= 917, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 353, 354, 347,
 &end
#
#   26 THR  HB           26 THR  HN          5.00    (#    918:15   Unique)
 &rst
  ixpk= 918, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          26 THR  HN          5.00    (#    919:15   Unique)
 &rst
  ixpk= 919, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HG21         26 THR  HN          5.00    (#    920:15   Unique)
 &rst
  ixpk= 920, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   56 CYS  HA           57 GLN  HE22        5.00    (#    928:15   Unique)
 &rst
  ixpk= 928, iat= 798, 819, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:929     57 GLN  HE22        6.00    (#    929:15   Single Ambig)
 &rst
  ixpk= 929, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#   68 ASN  HB1          68 ASN  HD21        6.00    (#    961:15   Unique)
 &rst
  ixpk= 961, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 975, 976,
 &end
#
#   27 GLN  HG1          27 GLN  HE21        6.00    (#    963:15   Unique)
 &rst
  ixpk= 963, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   68 ASN  HB1          68 ASN  HD22        6.00    (#    968:15   Unique)
 &rst
  ixpk= 968, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 975, 976,
 &end
#
#   41 GLN  HG1          41 GLN  HE21        5.00    (#   1007:15   Unique)
 &rst
  ixpk= 1007, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  QB           41 GLN  HE21        5.00    (#   1008:15   Unique)
 &rst
  ixpk= 1008, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 562,
 &end
#
#   48 ALA  HB1          41 GLN  HE21        6.00    (#   1009:15   Unique)
 &rst
  ixpk= 1009, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 685, 686, 687,
 &end
#
#    0 AMB  15-2:1148    50 GLN  HE22        5.00    (#   1148:15   Single Ambig)
 &rst
  ixpk= 1148, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 731, 732,
 &end
#
#   73 HIS  HN           74 GLY  HN          5.00    (#   1228:15   Unique)
 &rst
  ixpk= 1228, iat=1041,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           74 GLY  HN          5.00    (#   1229:15   Unique)
 &rst
  ixpk= 1229, iat=1065,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HA           74 GLY  HN          5.00    (#   1230:15   Unique)
 &rst
  ixpk= 1230, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1231    74 GLY  HN          5.00    (#   1231:15   Single Ambig)
 &rst
  ixpk= 1231, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#   70 CYS  HB2          74 GLY  HN          6.00    (#   1232:15   Unique)
 &rst
  ixpk= 1232, iat=1011,1058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:1233    74 GLY  HN          6.00    (#   1233:15   Single Ambig)
 &rst
  ixpk= 1233, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1095,1096,1097,1099,1100,1101, 907, 908, 909,
 &end
#
#    0 AMB  15-2:1240    51 GLN  HE21        5.00    (#   1240:15   Single Ambig)
 &rst
  ixpk= 1240, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772, 773, 731, 732,
 &end
#
#    0 AMB  15-2:1242     0 AMB  15-1:1242   6.00    (#   1242:15   Double Ambig)
 &rst
  ixpk= 1242, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 715,
 &end
#
#    0 AMB  15-2:1243    50 GLN  HE22        6.00    (#   1243:15   Single Ambig)
 &rst
  ixpk= 1243, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 697, 698, 699, 701, 702, 703,
 &end
#
#    0 AMB  15-2:1290    74 GLY  HN          5.00    (#   1290:15   Single Ambig)
 &rst
  ixpk= 1290, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1036,1037,1009,
 &end
#
#    0 AMB  15-2:1291    74 GLY  HN          5.00    (#   1291:15   Single Ambig)
 &rst
  ixpk= 1291, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1021,1022,1021,1022,
 &end
#
#   70 CYS  HB3          74 GLY  HN          5.00    (#   1292:15   Unique)
 &rst
  ixpk= 1292, iat=1012,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HG1          44 GLN  HE21        5.00    (#   1294:15   Unique)
 &rst
  ixpk= 1294, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#   40 VAL  MG1          51 GLN  HE21        5.00    (#   1296:15   Unique)
 &rst
  ixpk= 1296, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   44 GLN  HG1          44 GLN  HE22        5.00    (#   1300:15   Unique)
 &rst
  ixpk= 1300, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#    0 AMB  15-2:1330    60 GLY  HN          5.00    (#   1330:15   Single Ambig)
 &rst
  ixpk= 1330, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 823, 434, 524,
 &end
#
#   59 ARG  HN           60 GLY  HN          5.00    (#   1331:15   Unique)
 &rst
  ixpk= 1331, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HN           60 GLY  HN          5.00    (#   1332:15   Unique)
 &rst
  ixpk= 1332, iat= 861, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           60 GLY  HN          6.00    (#   1333:15   Unique)
 &rst
  ixpk= 1333, iat= 798, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 GLY  HA1          60 GLY  HN          6.00    (#   1334:15   Unique)
 &rst
  ixpk= 1334, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 825, 826,
 &end
#
#   60 GLY  HA1          60 GLY  HN          5.00    (#   1335:15   Unique)
 &rst
  ixpk= 1335, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   60 GLY  HA2          60 GLY  HN          5.00    (#   1336:15   Unique)
 &rst
  ixpk= 1336, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   56 CYS  HB1          60 GLY  HN          5.00    (#   1337:15   Unique)
 &rst
  ixpk= 1337, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1338    60 GLY  HN          5.00    (#   1338:15   Single Ambig)
 &rst
  ixpk= 1338, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 834, 835, 759,
 &end
#
#   59 ARG  HG1          60 GLY  HN          6.00    (#   1339:15   Unique)
 &rst
  ixpk= 1339, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          60 GLY  HN          6.00    (#   1340:15   Unique)
 &rst
  ixpk= 1340, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 837, 838,
 &end
#
#   60 GLY  HN           61 THR  HN          5.00    (#   1357:15   Unique)
 &rst
  ixpk= 1357, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           61 THR  HN          6.00    (#   1358:15   Unique)
 &rst
  ixpk= 1358, iat= 434, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  HN           61 THR  HN          5.00    (#   1359:15   Unique)
 &rst
  ixpk= 1359, iat= 830, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HN          5.00    (#   1361:15   Unique)
 &rst
  ixpk= 1361, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           61 THR  HN          6.00    (#   1362:15   Unique)
 &rst
  ixpk= 1362, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:1363    61 THR  HN          5.00    (#   1363:15   Single Ambig)
 &rst
  ixpk= 1363, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 832,
 &end
#
#    0 AMB  15-2:1364    61 THR  HN          5.00    (#   1364:15   Single Ambig)
 &rst
  ixpk= 1364, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 865, 422,
 &end
#
#    0 AMB  15-2:1365    61 THR  HN          3.30    (#   1365:15   Single Ambig)
 &rst
  ixpk= 1365, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 856, 857, 800,
 &end
#
#   56 CYS  HB1          61 THR  HN          5.00    (#   1366:15   Unique)
 &rst
  ixpk= 1366, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           61 THR  HN          3.30    (#   1367:15   Unique)
 &rst
  ixpk= 1367, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          61 THR  HN          5.00    (#   1368:15   Unique)
 &rst
  ixpk= 1368, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  15-2:1369    61 THR  HN          5.00    (#   1369:15   Single Ambig)
 &rst
  ixpk= 1369, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 837, 838, 396, 397,
 &end
#
#   61 THR  HG21         61 THR  HN          5.00    (#   1370:15   Unique)
 &rst
  ixpk= 1370, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   38 GLY  HN           36 GLY  HN          6.00    (#   1401:15   Unique)
 &rst
  ixpk= 1401, iat= 517, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HN           36 GLY  HN          5.00    (#   1404:15   Unique)
 &rst
  ixpk= 1404, iat= 506, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1405    36 GLY  HN          5.00    (#   1405:15   Single Ambig)
 &rst
  ixpk= 1405, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#   36 GLY  HA1          36 GLY  HN          5.00    (#   1406:15   Unique)
 &rst
  ixpk= 1406, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   36 GLY  HA2          36 GLY  HN          3.30    (#   1407:15   Unique)
 &rst
  ixpk= 1407, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 501, 502,
 &end
#
#   35 HIS  HA           36 GLY  HN          5.00    (#   1408:15   Unique)
 &rst
  ixpk= 1408, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          36 GLY  HN          5.00    (#   1409:15   Unique)
 &rst
  ixpk= 1409, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#    0 AMB  15-2:1410    36 GLY  HN          6.00    (#   1410:15   Single Ambig)
 &rst
  ixpk= 1410, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 422, 445, 446,
 &end
#
#    0 AMB  15-2:1411    36 GLY  HN          5.00    (#   1411:15   Single Ambig)
 &rst
  ixpk= 1411, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 486, 477,
 &end
#
#    0 AMB  15-2:1412    36 GLY  HN          5.00    (#   1412:15   Single Ambig)
 &rst
  ixpk= 1412, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 487,
 &end
#
#   31 CYS  HB3          36 GLY  HN          5.00    (#   1413:15   Unique)
 &rst
  ixpk= 1413, iat= 439, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          36 GLY  HN          5.00    (#   1414:15   Unique)
 &rst
  ixpk= 1414, iat= 438, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         36 GLY  HN          5.00    (#   1415:15   Unique)
 &rst
  ixpk= 1415, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   59 ARG  HN           58 GLY  HN          3.30    (#   1434:15   Unique)
 &rst
  ixpk= 1434, iat= 830, 823, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   58 GLY  HA1          58 GLY  HN          3.30    (#   1435:15   Unique)
 &rst
  ixpk= 1435, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 825, 826,
 &end
#
#   57 GLN  HA           58 GLY  HN          3.30    (#   1436:15   Unique)
 &rst
  ixpk= 1436, iat= 808, 823, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 GLY  HA2          58 GLY  HN          6.00    (#   1437:15   Unique)
 &rst
  ixpk= 1437, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 519, 520,
 &end
#
#    0 AMB  15-2:1438    58 GLY  HN          6.00    (#   1438:15   Single Ambig)
 &rst
  ixpk= 1438, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 &end
#
#   53 CYS  HB1          58 GLY  HN          5.00    (#   1439:15   Unique)
 &rst
  ixpk= 1439, iat= 760, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1440    58 GLY  HN          5.00    (#   1440:15   Single Ambig)
 &rst
  ixpk= 1440, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 810, 813, 814, 813, 814,
 &end
#
#   53 CYS  HB2          58 GLY  HN          5.00    (#   1441:15   Unique)
 &rst
  ixpk= 1441, iat= 759, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         58 GLY  HN          5.00    (#   1442:15   Unique)
 &rst
  ixpk= 1442, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   72 GLY  HA1          72 GLY  HN          3.30    (#   1452:15   Unique)
 &rst
  ixpk= 1452, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1036,1037,
 &end
#
#    0 AMB  15-2:1453    72 GLY  HN          3.30    (#   1453:15   Single Ambig)
 &rst
  ixpk= 1453, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1019, 957,
 &end
#
#   72 GLY  HA2          72 GLY  HN          5.00    (#   1454:15   Unique)
 &rst
  ixpk= 1454, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#    0 AMB  15-2:1456    72 GLY  HN          5.00    (#   1456:15   Single Ambig)
 &rst
  ixpk= 1456, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 300, 301,1021,1022,1045,1046,
 &end
#
#   67 CYS  HB3          72 GLY  HN          5.00    (#   1457:15   Unique)
 &rst
  ixpk= 1457, iat= 966,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          72 GLY  HN          6.00    (#   1458:15   Unique)
 &rst
  ixpk= 1458, iat= 965,1034, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:1459    72 GLY  HN          5.00    (#   1459:15   Single Ambig)
 &rst
  ixpk= 1459, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          72 GLY  HN          6.00    (#   1460:15   Unique)
 &rst
  ixpk= 1460, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 954, 955,
 &end
#
#   63 ILE  HD11         72 GLY  HN          6.00    (#   1461:15   Unique)
 &rst
  ixpk= 1461, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   21 GLY  HN           19 GLY  HN          6.00    (#   1463:15   Unique)
 &rst
  ixpk= 1463, iat= 298, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HN           19 GLY  HN          5.00    (#   1466:15   Unique)
 &rst
  ixpk= 1466, iat= 263, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           19 GLY  HN          6.00    (#   1467:15   Unique)
 &rst
  ixpk= 1467, iat= 255, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           19 GLY  HN          3.30    (#   1468:15   Unique)
 &rst
  ixpk= 1468, iat= 265, 280, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:1469    19 GLY  HN          6.00    (#   1469:15   Single Ambig)
 &rst
  ixpk= 1469, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 227, 289,
 &end
#
#    0 AMB  15-2:1470    19 GLY  HN          5.00    (#   1470:15   Single Ambig)
 &rst
  ixpk= 1470, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 217,1060,1061, 291, 300, 301,
 &end
#
#    0 AMB  15-2:1471    19 GLY  HN          5.00    (#   1471:15   Single Ambig)
 &rst
  ixpk= 1471, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 267, 268,1060,1061,
 &end
#
#   14 CYS  HB3          19 GLY  HN          5.00    (#   1472:15   Unique)
 &rst
  ixpk= 1472, iat= 220, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1473    19 GLY  HN          5.00    (#   1473:15   Single Ambig)
 &rst
  ixpk= 1473, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 219, 207, 208,
 &end
#
#   55 HIS  HN           55 HIS  HB1         5.00    (#     36:25   Unique)
 &rst
  ixpk= 36, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   56 CYS  HN           55 HIS  HB1         5.00    (#     37:25   Unique)
 &rst
  ixpk= 37, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   55 HIS  HA           55 HIS  HB1         5.00    (#     39:25   Unique)
 &rst
  ixpk= 39, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   33 THR  HG21         55 HIS  HB1         5.00    (#     42:25   Unique)
 &rst
  ixpk= 42, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 464, 465, 466,
 igr2= 783, 784,
 &end
#
#   33 THR  HB           55 HIS  HB1         5.00    (#     43:25   Unique)
 &rst
  ixpk= 43, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   55 HIS  HN           55 HIS  HB2         5.00    (#     44:25   Unique)
 &rst
  ixpk= 44, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           55 HIS  HB2         5.00    (#     45:25   Unique)
 &rst
  ixpk= 45, iat= 796, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HB2         5.00    (#     46:25   Unique)
 &rst
  ixpk= 46, iat= 781, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         55 HIS  HB2         5.00    (#     50:25   Unique)
 &rst
  ixpk= 50, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   29 GLN  HB1          29 GLN  HG1         5.00    (#     53:25   Unique)
 &rst
  ixpk= 53, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 407, 408,
 igr2= 410, 411,
 &end
#
#   29 GLN  HB2          29 GLN  HG1         5.00    (#     54:25   Unique)
 &rst
  ixpk= 54, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#   27 GLN  HN           27 GLN  HG1         6.00    (#     58:25   Unique)
 &rst
  ixpk= 58, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 380,
 &end
#
#   27 GLN  HA           27 GLN  HG1         5.00    (#     59:25   Unique)
 &rst
  ixpk= 59, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#    0 AMB  25-2:60      27 GLN  HG1         5.00    (#     60:25   Single Ambig)
 &rst
  ixpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 390, 391, 353, 354,
 igr2= 379, 380,
 &end
#
#   27 GLN  HB2          27 GLN  HG1         3.30    (#     64:25   Unique)
 &rst
  ixpk= 64, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 379, 380,
 &end
#
#    0 AMB  25-2:65      27 GLN  HG1         6.00    (#     65:25   Single Ambig)
 &rst
  ixpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 309, 310, 311, 364, 365, 366,
 igr2= 379, 380,
 &end
#
#   51 GLN  HA           51 GLN  HG1         5.00    (#     67:25   Unique)
 &rst
  ixpk= 67, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 731, 732,
 &end
#
#   50 GLN  HG2          51 GLN  HG1         5.00    (#     69:25   Unique)
 &rst
  ixpk= 69, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715,
 igr2= 731, 732,
 &end
#
#   39 GLN  HB3          39 GLN  HG1         5.00    (#     75:25   Unique)
 &rst
  ixpk= 75, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#   39 GLN  HB3          39 GLN  HG2         5.00    (#     80:25   Unique)
 &rst
  ixpk= 80, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#    0 AMB  25-2:85      39 GLN  HB3         5.00    (#     85:25   Single Ambig)
 &rst
  ixpk= 85, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 564, 565,
 &end
#
#   39 GLN  HG2          39 GLN  HB3         5.00    (#     88:25   Unique)
 &rst
  ixpk= 88, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   26 THR  HA           27 GLN  HG1         5.00    (#    228:25   Unique)
 &rst
  ixpk= 228, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#   49 VAL  MG1          50 GLN  HG1         5.00    (#    229:25   Unique)
 &rst
  ixpk= 229, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 697, 698, 699,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:230     50 GLN  HG1         5.00    (#    230:25   Single Ambig)
 &rst
  ixpk= 230, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 541,
 igr2= 714, 715,
 &end
#
#   50 GLN  HN           50 GLN  HG1         5.00    (#    231:25   Unique)
 &rst
  ixpk= 231, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:232     50 GLN  HG1         5.00    (#    232:25   Single Ambig)
 &rst
  ixpk= 232, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 559, 683, 726,
 igr2= 714, 715,
 &end
#
#   12 GLU  HN           12 GLU  HB1         5.00    (#    236:25   Unique)
 &rst
  ixpk= 236, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#    0 AMB  25-2:238     50 GLN  HG2         5.00    (#    238:25   Single Ambig)
 &rst
  ixpk= 238, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 541,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:239     50 GLN  HG2         5.00    (#    239:25   Single Ambig)
 &rst
  ixpk= 239, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 559, 683, 726,
 igr2= 714, 715,
 &end
#
#   50 GLN  HN           50 GLN  HG2         5.00    (#    240:25   Unique)
 &rst
  ixpk= 240, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#   40 VAL  MG2          50 GLN  HG2         5.00    (#    241:25   Unique)
 &rst
  ixpk= 241, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 551, 552, 553,
 igr2= 714, 715,
 &end
#
#    4 LYS  HA            4 LYS  QB          5.00    (#    243:25   Unique)
 &rst
  ixpk= 243, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  43,  44,
 &end
#
#   13 GLU  HN           12 GLU  HB1         5.00    (#    345:25   Unique)
 &rst
  ixpk= 345, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB1         3.30    (#    348:25   Unique)
 &rst
  ixpk= 348, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB2         3.30    (#    349:25   Unique)
 &rst
  ixpk= 349, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 189, 190,
 &end
#
#   12 GLU  HN           12 GLU  HB2         5.00    (#    350:25   Unique)
 &rst
  ixpk= 350, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#    0 AMB  25-2:351      0 AMB  25-1:351    2.70    (#    351:25   Double Ambig)
 &rst
  ixpk= 351, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 192, 193,
 igr2= 189, 190,
 &end
#
#   76 VAL  MGY          12 GLU  HB2         5.00    (#    353:25   Unique)
 &rst
  ixpk= 353, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2= 189, 190,
 &end
#
#    4 LYS  HG1           4 LYS  QB          2.70    (#    354:25   Unique)
 &rst
  ixpk= 354, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  46,  47,
 igr2=  43,  44,
 &end
#
#   64 LYS  HG1          64 LYS  HB-         3.30    (#    453:25   Unique)
 &rst
  ixpk= 453, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 920, 921,
 igr2= 917, 918,
 &end
#
#    0 AMB  25-2:454     23 LYS  QB          5.00    (#    454:25   Single Ambig)
 &rst
  ixpk= 454, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 315, 358,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:456     23 LYS  QB          5.00    (#    456:25   Single Ambig)
 &rst
  ixpk= 456, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 957, 307,
 igr2= 319, 320,
 &end
#
#   23 LYS  HA           23 LYS  QB          5.00    (#    457:25   Unique)
 &rst
  ixpk= 457, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:458     23 LYS  QB          5.00    (#    458:25   Single Ambig)
 &rst
  ixpk= 458, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339, 963,
 igr2= 319, 320,
 &end
#
#   24 PRO  HD2          23 LYS  QB          5.00    (#    459:25   Unique)
 &rst
  ixpk= 459, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 319, 320,
 &end
#
#   23 LYS  HE1          23 LYS  QB          5.00    (#    460:25   Unique)
 &rst
  ixpk= 460, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 328, 329,
 igr2= 319, 320,
 &end
#
#   65 ASP  HB2          23 LYS  QB          5.00    (#    461:25   Unique)
 &rst
  ixpk= 461, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:465     23 LYS  QB          5.00    (#    465:25   Single Ambig)
 &rst
  ixpk= 465, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 364, 365, 366, 309, 310, 311,
 igr2= 319, 320,
 &end
#
#   10 THR  HN            9 PRO  HB1         6.00    (#    539:25   Unique)
 &rst
  ixpk= 539, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 145, 146,
 &end
#
#   28 PRO  HD1          28 PRO  HB1         5.00    (#    543:25   Unique)
 &rst
  ixpk= 543, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 396, 397,
 &end
#
#   69 LYS  HN           69 LYS  HB2         5.00    (#    544:25   Unique)
 &rst
  ixpk= 544, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HA            9 PRO  HB2         3.30    (#    546:25   Unique)
 &rst
  ixpk= 546, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 145, 146,
 &end
#
#    0 AMB  25-2:550      0 AMB  25-1:550    5.00    (#    550:25   Double Ambig)
 &rst
  ixpk= 550, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 179, 180, 181, 884, 885, 886, 888, 889, 890,
 igr2= 145, 146, 917, 918,
 &end
#
#    0 AMB  25-2:551      0 AMB  25-1:551    5.00    (#    551:25   Double Ambig)
 &rst
  ixpk= 551, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 913,  61,  39, 152,
 igr2= 917, 918,  43,  44, 145, 146,
 &end
#
#    0 AMB  25-2:553      0 AMB  25-1:553    2.70    (#    553:25   Double Ambig)
 &rst
  ixpk= 553, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 987, 915,
 igr2= 989, 917, 918,
 &end
#
#    9 PRO  HD1           9 PRO  HB2         3.30    (#    554:25   Unique)
 &rst
  ixpk= 554, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 145, 146,
 &end
#
#    0 AMB  25-2:555      0 AMB  25-1:555    3.30    (#    555:25   Double Ambig)
 &rst
  ixpk= 555, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 390, 391, 139, 140,
 igr2= 396, 397, 145, 146,
 &end
#
#   65 ASP  HN           64 LYS  HB+         5.00    (#    556:25   Unique)
 &rst
  ixpk= 556, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 917, 918,
 &end
#
#   63 ILE  HD11         28 PRO  HB2         5.00    (#    557:25   Unique)
 &rst
  ixpk= 557, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 396, 397,
 &end
#
#    0 AMB  25-2:558      0 AMB  25-1:558    5.00    (#    558:25   Double Ambig)
 &rst
  ixpk= 558, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 403, 894,
 igr2= 396, 397, 917, 918, 917, 918,
 &end
#
#    0 AMB  25-2:559     69 LYS  HB3         5.00    (#    559:25   Single Ambig)
 &rst
  ixpk= 559, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   69 LYS  HN           69 LYS  HB3         5.00    (#    560:25   Unique)
 &rst
  ixpk= 560, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HB3         5.00    (#    562:25   Unique)
 &rst
  ixpk= 562, iat= 987, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HA            9 PRO  HB1         3.30    (#    637:25   Unique)
 &rst
  ixpk= 637, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 145, 146,
 &end
#
#    9 PRO  HD2           9 PRO  HB1         5.00    (#    638:25   Unique)
 &rst
  ixpk= 638, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 145, 146,
 &end
#
#    0 AMB  25-2:639     28 PRO  HB1         5.00    (#    639:25   Single Ambig)
 &rst
  ixpk= 639, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 403, 894,
 igr2= 396, 397,
 &end
#
#   28 PRO  HA           28 PRO  HB1         5.00    (#    640:25   Unique)
 &rst
  ixpk= 640, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   61 THR  HB           28 PRO  HB1         5.00    (#    641:25   Unique)
 &rst
  ixpk= 641, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB1         5.00    (#    643:25   Unique)
 &rst
  ixpk= 643, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#   63 ILE  HD11         28 PRO  HB1         5.00    (#    644:25   Unique)
 &rst
  ixpk= 644, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 396, 397,
 &end
#
#   17 CYS  HN           16 VAL  HB          3.30    (#    647:25   Unique)
 &rst
  ixpk= 647, iat= 253, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:648     16 VAL  HB          2.70    (#    648:25   Single Ambig)
 &rst
  ixpk= 648, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#    0 AMB  25-2:650      0 AMB  25-1:650    2.70    (#    650:25   Double Ambig)
 &rst
  ixpk= 650, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB2         5.00    (#    651:25   Unique)
 &rst
  ixpk= 651, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#   38 GLY  HN           34 CYS  HB3         6.00    (#    712:25   Unique)
 &rst
  ixpk= 712, iat= 517, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLN  HN           34 CYS  HB3         5.00    (#    713:25   Unique)
 &rst
  ixpk= 713, iat= 524, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HB3         3.30    (#    714:25   Unique)
 &rst
  ixpk= 714, iat= 474, 477, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   53 CYS  HB2          34 CYS  HB3         6.00    (#    717:25   Unique)
 &rst
  ixpk= 717, iat= 759, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 VAL  MG1          34 CYS  HB3         5.00    (#    718:25   Unique)
 &rst
  ixpk= 718, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   39 GLN  HN           34 CYS  HB2         5.00    (#    720:25   Unique)
 &rst
  ixpk= 720, iat= 524, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:722      0 AMB  25-1:722    5.00    (#    722:25   Double Ambig)
 &rst
  ixpk= 722, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 759, 219,
 igr2= 476,1011,
 &end
#
#    0 AMB  25-2:723      0 AMB  25-1:723    5.00    (#    723:25   Double Ambig)
 &rst
  ixpk= 723, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 472,1041, 482,
 igr2= 476,1011,
 &end
#
#    0 AMB  25-2:724      0 AMB  25-1:724    3.30    (#    724:25   Double Ambig)
 &rst
  ixpk= 724, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 547, 548, 549,1095,1096,1097,1099,1100,1101,
 igr2= 476,1011,
 &end
#
#    0 AMB  25-2:726      0 AMB  25-1:726    3.30    (#    726:25   Double Ambig)
 &rst
  ixpk= 726, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 445, 446, 766, 767,
 igr2= 451, 452, 772, 773,
 &end
#
#   32 PRO  HA           32 PRO  HB2         3.30    (#    728:25   Unique)
 &rst
  ixpk= 728, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 451, 452,
 &end
#
#   16 VAL  HN           16 VAL  HB          3.30    (#    732:25   Unique)
 &rst
  ixpk= 732, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:733     16 VAL  HB          3.30    (#    733:25   Single Ambig)
 &rst
  ixpk= 733, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 239, 338, 339,
 &end
#
#   22 ALA  HN           17 CYS  HB3         5.00    (#    815:25   Unique)
 &rst
  ixpk= 815, iat= 305, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HB3         5.00    (#    816:25   Unique)
 &rst
  ixpk= 816, iat= 255, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HN            0 AMB  25-1:820    5.00    (#    820:25   Single Ambig)
 &rst
  ixpk= 820, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#    0 AMB  25-2:821      0 AMB  25-1:821    3.30    (#    821:25   Double Ambig)
 &rst
  ixpk= 821, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1041, 830,
 igr2=1045,1046, 800,
 &end
#
#   73 HIS  HD2           0 AMB  25-1:822    5.00    (#    822:25   Single Ambig)
 &rst
  ixpk= 822, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#   75 ARG  HN            0 AMB  25-1:823    5.00    (#    823:25   Single Ambig)
 &rst
  ixpk= 823, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#    0 AMB  25-2:824      0 AMB  25-1:824    5.00    (#    824:25   Double Ambig)
 &rst
  ixpk= 824, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1043, 877,
 igr2=1045,1046,
 &end
#
#   70 CYS  HA           70 CYS  HB3         5.00    (#    829:25   Unique)
 &rst
  ixpk= 829, iat=1009,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          70 CYS  HB3         5.00    (#    832:25   Unique)
 &rst
  ixpk= 832, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   53 CYS  HN           53 CYS  HB1         5.00    (#    835:25   Unique)
 &rst
  ixpk= 835, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           53 CYS  HB1         5.00    (#    836:25   Unique)
 &rst
  ixpk= 836, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           17 CYS  HB2         5.00    (#    837:25   Unique)
 &rst
  ixpk= 837, iat= 253, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HB2         3.30    (#    838:25   Unique)
 &rst
  ixpk= 838, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   22 ALA  HN           17 CYS  HB2         5.00    (#    839:25   Unique)
 &rst
  ixpk= 839, iat= 305, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HB1         5.00    (#    848:25   Unique)
 &rst
  ixpk= 848, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   34 CYS  HA           34 CYS  HB2         3.30    (#    850:25   Unique)
 &rst
  ixpk= 850, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 GLY  HN           34 CYS  HB2         5.00    (#    851:25   Unique)
 &rst
  ixpk= 851, iat= 517, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           70 CYS  HB2         5.00    (#    853:25   Unique)
 &rst
  ixpk= 853, iat=1009,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:854      0 AMB  25-1:854    6.00    (#    854:25   Double Ambig)
 &rst
  ixpk= 854, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1045,1046, 300, 301, 856, 857,
 igr2=1011, 476,
 &end
#
#   49 VAL  MG2          42 MET  HG1         5.00    (#    857:25   Unique)
 &rst
  ixpk= 857, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703,
 igr2= 581, 582,
 &end
#
#   42 MET  HN           42 MET  HG1         5.00    (#    858:25   Unique)
 &rst
  ixpk= 858, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#   42 MET  HA           42 MET  HG1         5.00    (#    859:25   Unique)
 &rst
  ixpk= 859, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:862      0 AMB  25-1:862    5.00    (#    862:25   Double Ambig)
 &rst
  ixpk= 862, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 578, 579, 587, 588, 589,
 igr2= 581, 582, 581, 582,
 &end
#
#    0 AMB  25-2:863      0 AMB  25-1:863    3.30    (#    863:25   Double Ambig)
 &rst
  ixpk= 863, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 578, 579,
 igr2= 581, 582, 581, 582,
 &end
#
#   40 VAL  MG2           0 AMB  25-1:864    5.00    (#    864:25   Single Ambig)
 &rst
  ixpk= 864, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 551, 552, 553,
 igr2= 581, 582, 581, 582,
 &end
#
#   42 MET  HN           42 MET  HG2         5.00    (#    865:25   Unique)
 &rst
  ixpk= 865, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:868     42 MET  HG2         3.30    (#    868:25   Single Ambig)
 &rst
  ixpk= 868, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 578, 579, 587, 588, 589,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:869      0 AMB  25-1:869    5.00    (#    869:25   Double Ambig)
 &rst
  ixpk= 869, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 243, 244, 245, 701, 702, 703,
 igr2= 344, 345, 581, 582,
 &end
#
#   54 PRO  HA           54 PRO  HB1         3.30    (#    870:25   Unique)
 &rst
  ixpk= 870, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 772, 773,
 &end
#
#    0 AMB  25-2:871      0 AMB  25-1:871    5.00    (#    871:25   Double Ambig)
 &rst
  ixpk= 871, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 772, 773,
 &end
#
#   29 GLN  HN           29 GLN  HB1         5.00    (#    872:25   Unique)
 &rst
  ixpk= 872, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#   60 GLY  HN            0 AMB  25-1:874    5.00    (#    874:25   Single Ambig)
 &rst
  ixpk= 874, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 834, 835, 759,
 &end
#
#    0 AMB  25-2:875      0 AMB  25-1:875    3.30    (#    875:25   Double Ambig)
 &rst
  ixpk= 875, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 830, 253,
 igr2= 834, 835, 219,
 &end
#
#    0 AMB  25-2:876     59 ARG  QB          5.00    (#    876:25   Single Ambig)
 &rst
  ixpk= 876, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 861,
 igr2= 834, 835,
 &end
#
#   29 GLN  HA           29 GLN  HB1         5.00    (#    877:25   Unique)
 &rst
  ixpk= 877, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#    0 AMB  25-2:878      0 AMB  25-1:878    6.00    (#    878:25   Double Ambig)
 &rst
  ixpk= 878, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 282, 283, 543, 877,
 igr2= 219, 759, 834, 835,
 &end
#
#   53 CYS  HA           53 CYS  HB2         5.00    (#    879:25   Unique)
 &rst
  ixpk= 879, iat= 757, 759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  HA           59 ARG  QB          3.30    (#    880:25   Unique)
 &rst
  ixpk= 880, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 834, 835,
 &end
#
#    0 AMB  25-2:881      0 AMB  25-1:881    3.30    (#    881:25   Double Ambig)
 &rst
  ixpk= 881, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 840, 841, 800,
 igr2= 834, 835, 759,
 &end
#
#    0 AMB  25-2:883      0 AMB  25-1:883    5.00    (#    883:25   Double Ambig)
 &rst
  ixpk= 883, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 917, 918, 396, 397, 769, 770,
 igr2= 408, 834, 835, 759,
 &end
#
#    0 AMB  25-2:885      0 AMB  25-1:885    5.00    (#    885:25   Double Ambig)
 &rst
  ixpk= 885, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 884, 885, 886, 551, 552, 553, 888, 889, 890,
 igr2= 408, 759,
 &end
#
#    0 AMB  25-2:886      0 AMB  25-1:886    2.70    (#    886:25   Double Ambig)
 &rst
  ixpk= 886, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 445, 446,
 igr2= 451, 452,
 &end
#
#    0 AMB  25-2:887      0 AMB  25-1:887    5.00    (#    887:25   Double Ambig)
 &rst
  ixpk= 887, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 884, 885, 886, 888, 889, 890,
 igr2= 451, 452, 438,
 &end
#
#    0 AMB  25-2:890      0 AMB  25-1:890    3.30    (#    890:25   Double Ambig)
 &rst
  ixpk= 890, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 948, 949, 424,
 igr2= 954, 955, 407,
 &end
#
#   29 GLN  HA           29 GLN  HB2         5.00    (#    894:25   Unique)
 &rst
  ixpk= 894, iat= 405, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:987      0 AMB  25-1:987    6.00    (#    987:25   Double Ambig)
 &rst
  ixpk= 987, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 834, 835, 759, 219,
 igr2= 800,1045,1046,
 &end
#
#   62 LEU  HD21         56 CYS  HB2         5.00    (#    988:25   Unique)
 &rst
  ixpk= 988, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  25-2:989      0 AMB  25-1:989    3.30    (#    989:25   Double Ambig)
 &rst
  ixpk= 989, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 215, 434,
 igr2= 220, 439,
 &end
#
#    0 AMB  25-2:991      0 AMB  25-1:991    5.00    (#    991:25   Double Ambig)
 &rst
  ixpk= 991, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 482, 472, 253, 830,
 igr2= 439, 220, 760,
 &end
#
#    0 AMB  25-2:994      0 AMB  25-1:994    3.30    (#    994:25   Double Ambig)
 &rst
  ixpk= 994, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 282, 283, 825, 826, 501, 502,
 igr2= 220, 760, 439,
 &end
#
#   31 CYS  HA           31 CYS  HB3         3.30    (#    995:25   Unique)
 &rst
  ixpk= 995, iat= 436, 439, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:996      0 AMB  25-1:996    5.00    (#    996:25   Double Ambig)
 &rst
  ixpk= 996, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 519, 520,1060,1061,
 igr2= 760, 220,
 &end
#
#   34 CYS  HB2          53 CYS  HB1         5.00    (#    999:25   Unique)
 &rst
  ixpk= 999, iat= 476, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:1000     0 AMB  25-1:1000   5.00    (#   1000:25   Double Ambig)
 &rst
  ixpk= 1000, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 747, 748, 749, 426, 427, 428,
 igr2= 760, 439,
 &end
#
#    0 AMB  25-2:1001     0 AMB  25-1:1001   5.00    (#   1001:25   Double Ambig)
 &rst
  ixpk= 1001, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101, 547, 548, 549,
 igr2= 220, 760,
 &end
#
#    0 AMB  25-2:1002     0 AMB  25-1:1002   5.00    (#   1002:25   Double Ambig)
 &rst
  ixpk= 1002, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 551, 552, 553, 888, 889, 890, 884, 885, 886,
 igr2= 760, 439,
 &end
#
#   24 PRO  HA           24 PRO  HB1         3.30    (#   1005:25   Unique)
 &rst
  ixpk= 1005, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#   24 PRO  HD2          24 PRO  HB1         5.00    (#   1006:25   Unique)
 &rst
  ixpk= 1006, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 344, 345,
 &end
#
#   24 PRO  HD1          24 PRO  HB1         5.00    (#   1008:25   Unique)
 &rst
  ixpk= 1008, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 344, 345,
 &end
#
#   53 CYS  HN           53 CYS  HB2         5.00    (#   1009:25   Unique)
 &rst
  ixpk= 1009, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HN           14 CYS  HB2         3.30    (#   1012:25   Unique)
 &rst
  ixpk= 1012, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:1015     0 AMB  25-1:1015   5.00    (#   1015:25   Double Ambig)
 &rst
  ixpk= 1015, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101, 547, 548, 549,
 igr2= 219, 759,
 &end
#
#   14 CYS  HN           14 CYS  HB2         3.30    (#   1016:25   Unique)
 &rst
  ixpk= 1016, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:1018     0 AMB  25-1:1018   5.00    (#   1018:25   Double Ambig)
 &rst
  ixpk= 1018, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1021,1022, 856, 857, 800,
 igr2= 954, 955, 438,
 &end
#
#    0 AMB  25-2:1019     0 AMB  25-1:1019   5.00    (#   1019:25   Double Ambig)
 &rst
  ixpk= 1019, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 948, 949, 477,
 igr2= 954, 955, 438,
 &end
#
#    0 AMB  25-2:1021     0 AMB  25-1:1021   3.30    (#   1021:25   Double Ambig)
 &rst
  ixpk= 1021, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 900, 901, 902, 888, 889, 890,
 igr2= 954, 955, 438,
 &end
#
#   24 PRO  HD2           0 AMB  25-1:1022   5.00    (#   1022:25   Single Ambig)
 &rst
  ixpk= 1022, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339,
 igr2= 344, 345, 241,
 &end
#
#   24 PRO  HA           24 PRO  HB2         3.30    (#   1024:25   Unique)
 &rst
  ixpk= 1024, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#   67 CYS  HN           66 PRO  HB2         5.00    (#   1025:25   Unique)
 &rst
  ixpk= 1025, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 954, 955,
 &end
#
#    0 AMB  25-2:1026    66 PRO  HB2         5.00    (#   1026:25   Single Ambig)
 &rst
  ixpk= 1026, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1019, 957,
 igr2= 954, 955,
 &end
#
#   66 PRO  HD1          66 PRO  HB2         5.00    (#   1027:25   Unique)
 &rst
  ixpk= 1027, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 954, 955,
 &end
#
#   66 PRO  HD2          66 PRO  HB2         5.00    (#   1028:25   Unique)
 &rst
  ixpk= 1028, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 954, 955,
 &end
#
#   63 ILE  HG21         66 PRO  HB2         5.00    (#   1031:25   Unique)
 &rst
  ixpk= 1031, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902,
 igr2= 954, 955,
 &end
#
#    0 AMB  25-2:1097    14 CYS  HB3         3.30    (#   1097:25   Single Ambig)
 &rst
  ixpk= 1097, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 217, 291,1060,1061,
 &end
#
#    0 AMB  25-2:1098    14 CYS  HB2         3.30    (#   1098:25   Single Ambig)
 &rst
  ixpk= 1098, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 217, 291,1060,1061,
 &end
#
#   76 VAL  MGX          14 CYS  HB2         5.00    (#   1100:25   Unique)
 &rst
  ixpk= 1100, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:1157    67 CYS  HB3         5.00    (#   1157:25   Single Ambig)
 &rst
  ixpk= 1157, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 961, 305,
 &end
#
#    0 AMB  25-2:1160    67 CYS  HB3         5.00    (#   1160:25   Single Ambig)
 &rst
  ixpk= 1160, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 307,1019, 957,
 &end
#
#    0 AMB  25-2:1161    67 CYS  HB3         5.00    (#   1161:25   Single Ambig)
 &rst
  ixpk= 1161, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 963, 338, 339,
 &end
#
#    0 AMB  25-2:1163    67 CYS  HB2         3.30    (#   1163:25   Single Ambig)
 &rst
  ixpk= 1163, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 961, 305,
 &end
#
#    0 AMB  25-2:1164    67 CYS  HB2         3.30    (#   1164:25   Single Ambig)
 &rst
  ixpk= 1164, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 963, 338, 339,
 &end
#
#   79 SER  HN           78 ARG  HB+         6.00    (#   1239:25   Unique)
 &rst
  ixpk= 1239, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#    0 AMB  25-2:1240     0 AMB  25-1:1240   6.00    (#   1240:25   Double Ambig)
 &rst
  ixpk= 1240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 282, 283,1107,
 igr2= 204, 205,1124,1125,
 &end
#
#   78 ARG  HA           78 ARG  HB+         3.30    (#   1241:25   Unique)
 &rst
  ixpk= 1241, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   78 ARG  HN           78 ARG  HB-         5.00    (#   1243:25   Unique)
 &rst
  ixpk= 1243, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1124,1125,
 &end
#
#   78 ARG  HA           78 ARG  HB-         3.30    (#   1245:25   Unique)
 &rst
  ixpk= 1245, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   13 GLU  HN           13 GLU  HB1         5.00    (#   1336:25   Unique)
 &rst
  ixpk= 1336, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   13 GLU  HA           13 GLU  HB1         5.00    (#   1337:25   Unique)
 &rst
  ixpk= 1337, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   13 GLU  HA           13 GLU  HB2         5.00    (#   1338:25   Unique)
 &rst
  ixpk= 1338, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:1340     0 AMB  25-1:1340   3.30    (#   1340:25   Double Ambig)
 &rst
  ixpk= 1340, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 204, 205,
 &end
#
#   43 ARG  HA           43 ARG  HB+         5.00    (#   1343:25   Unique)
 &rst
  ixpk= 1343, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#    0 AMB  25-2:1344     0 AMB  25-1:1344   3.30    (#   1344:25   Double Ambig)
 &rst
  ixpk= 1344, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 603, 604,1130,1131,
 igr2= 597, 598,1124,1125,
 &end
#
#    7 ARG  HA            7 ARG  QB          5.00    (#   1346:25   Unique)
 &rst
  ixpk= 1346, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  99, 100,
 &end
#
#   43 ARG  HA           43 ARG  HB-         5.00    (#   1349:25   Unique)
 &rst
  ixpk= 1349, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#   78 ARG  HA           78 ARG  HB-         3.30    (#   1355:25   Unique)
 &rst
  ixpk= 1355, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   1495:25   Unique)
 &rst
  ixpk= 1495, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   1496:25   Unique)
 &rst
  ixpk= 1496, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   1500:25   Unique)
 &rst
  ixpk= 1500, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   27 GLN  HG1          27 GLN  HB2         3.30    (#   1501:25   Unique)
 &rst
  ixpk= 1501, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 379, 380,
 &end
#
#    5 GLU  HA            5 GLU  HB1         5.00    (#   1551:25   Unique)
 &rst
  ixpk= 1551, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    0 AMB  25-2:1552     0 AMB  25-1:1552   3.30    (#   1552:25   Double Ambig)
 &rst
  ixpk= 1552, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1109,1110,
 &end
#
#   77 GLU  HA           77 GLU  HB1         3.30    (#   1553:25   Unique)
 &rst
  ixpk= 1553, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1109,1110,
 &end
#
#    0 AMB  25-2:1554     0 AMB  25-1:1554   5.00    (#   1554:25   Double Ambig)
 &rst
  ixpk= 1554, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 179, 180, 181, 551, 552, 553,
 igr2=1109,1110, 561, 562,
 &end
#
#   40 VAL  MG2          50 GLN  HB-         6.00    (#   1555:25   Unique)
 &rst
  ixpk= 1555, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 551, 552, 553,
 igr2= 711, 712,
 &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   1556:25   Unique)
 &rst
  ixpk= 1556, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HN            0 AMB  25-1:1651   5.00    (#   1651:25   Single Ambig)
 &rst
  ixpk= 1651, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 562,
 &end
#
#    0 AMB  25-2:1652     0 AMB  25-1:1652   3.30    (#   1652:25   Double Ambig)
 &rst
  ixpk= 1652, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=  61, 557,
 igr2=  65,  66, 561, 562,
 &end
#
#   50 GLN  HA            0 AMB  25-1:1653   2.70    (#   1653:25   Single Ambig)
 &rst
  ixpk= 1653, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 711, 712, 561, 562,
 &end
#
#   41 GLN  HA            0 AMB  25-1:1654   2.70    (#   1654:25   Single Ambig)
 &rst
  ixpk= 1654, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 711, 712, 561, 562,
 &end
#
#   44 GLN  HN           44 GLN  HB3         3.30    (#   1656:25   Unique)
 &rst
  ixpk= 1656, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:1763     0 AMB  25-1:1763   3.30    (#   1763:25   Double Ambig)
 &rst
  ixpk= 1763, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 685, 686, 687, 992, 993,
 igr2= 561, 562, 995, 996, 711, 712,
 &end
#
#   44 GLN  HA           44 GLN  HB2         5.00    (#   1847:25   Unique)
 &rst
  ixpk= 1847, iat= 619, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HE1          69 LYS  HD2         3.30    (#   1852:25   Unique)
 &rst
  ixpk= 1852, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 998, 999,
 igr2= 995, 996,
 &end
#
#    0 AMB  25-2:1854    69 LYS  HD2         5.00    (#   1854:25   Single Ambig)
 &rst
  ixpk= 1854, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  25-2:1856    69 LYS  HD1         3.30    (#   1856:25   Single Ambig)
 &rst
  ixpk= 1856, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  25-2:1923    23 LYS  HD1         6.00    (#   1923:25   Single Ambig)
 &rst
  ixpk= 1923, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 315, 358,
 igr2= 325, 326,
 &end
#
#   23 LYS  HA           23 LYS  HD1         5.00    (#   1925:25   Unique)
 &rst
  ixpk= 1925, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:1926    23 LYS  HD1         5.00    (#   1926:25   Single Ambig)
 &rst
  ixpk= 1926, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339, 963,
 igr2= 325, 326,
 &end
#
#   23 LYS  HE1          23 LYS  HD1         3.30    (#   1927:25   Unique)
 &rst
  ixpk= 1927, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 328, 329,
 igr2= 325, 326,
 &end
#
#   65 ASP  HB3          23 LYS  HD1         5.00    (#   1928:25   Unique)
 &rst
  ixpk= 1928, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#   26 THR  HG21         23 LYS  HD1         5.00    (#   1931:25   Unique)
 &rst
  ixpk= 1931, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 364, 365, 366,
 igr2= 325, 326,
 &end
#
#   65 ASP  HB2          23 LYS  HD1         5.00    (#   2019:25   Unique)
 &rst
  ixpk= 2019, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#   64 LYS  HA           64 LYS  HD1         5.00    (#   2304:25   Unique)
 &rst
  ixpk= 2304, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 923, 924,
 &end
#
#   64 LYS  HE1          64 LYS  HD1         3.30    (#   2305:25   Unique)
 &rst
  ixpk= 2305, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   24 PRO  HD1          24 PRO  HG2         5.00    (#   2491:25   Unique)
 &rst
  ixpk= 2491, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   63 ILE  HD11         28 PRO  HG2         5.00    (#   2556:25   Unique)
 &rst
  ixpk= 2556, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 393, 394,
 &end
#
#   24 PRO  HA           24 PRO  HG1         5.00    (#   2557:25   Unique)
 &rst
  ixpk= 2557, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 341, 342,
 &end
#
#   23 LYS  HA           24 PRO  HG1         5.00    (#   2558:25   Unique)
 &rst
  ixpk= 2558, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD1          24 PRO  HG1         3.30    (#   2559:25   Unique)
 &rst
  ixpk= 2559, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG1         5.00    (#   2560:25   Unique)
 &rst
  ixpk= 2560, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#    0 AMB  25-2:2564    24 PRO  HG1         5.00    (#   2564:25   Single Ambig)
 &rst
  ixpk= 2564, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG2         5.00    (#   2565:25   Unique)
 &rst
  ixpk= 2565, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HB1          24 PRO  HG2         5.00    (#   2567:25   Unique)
 &rst
  ixpk= 2567, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 344, 345,
 igr2= 341, 342,
 &end
#
#    0 AMB  25-2:2568    24 PRO  HG2         5.00    (#   2568:25   Single Ambig)
 &rst
  ixpk= 2568, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   27 GLN  HA           28 PRO  HG2         5.00    (#   2629:25   Unique)
 &rst
  ixpk= 2629, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 393, 394,
 &end
#
#   28 PRO  HA           28 PRO  HG2         5.00    (#   2630:25   Unique)
 &rst
  ixpk= 2630, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 393, 394,
 &end
#
#   28 PRO  HD1          28 PRO  HG2         2.70    (#   2632:25   Unique)
 &rst
  ixpk= 2632, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG1         5.00    (#   2637:25   Unique)
 &rst
  ixpk= 2637, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG1         5.00    (#   2638:25   Unique)
 &rst
  ixpk= 2638, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HD1          59 ARG  HG1         5.00    (#   2639:25   Unique)
 &rst
  ixpk= 2639, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   59 ARG  HE           59 ARG  HG1         5.00    (#   2642:25   Unique)
 &rst
  ixpk= 2642, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   28 PRO  HA           28 PRO  HG1         5.00    (#   2645:25   Unique)
 &rst
  ixpk= 2645, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 393, 394,
 &end
#
#   28 PRO  HD1          28 PRO  HG1         3.30    (#   2647:25   Unique)
 &rst
  ixpk= 2647, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   63 ILE  HD11         28 PRO  HG1         5.00    (#   2650:25   Unique)
 &rst
  ixpk= 2650, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG2         5.00    (#   2651:25   Unique)
 &rst
  ixpk= 2651, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HE           59 ARG  HG2         5.00    (#   2652:25   Unique)
 &rst
  ixpk= 2652, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG2         5.00    (#   2654:25   Unique)
 &rst
  ixpk= 2654, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HD1          59 ARG  HG2         5.00    (#   2655:25   Unique)
 &rst
  ixpk= 2655, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   63 ILE  HN           63 ILE  HG11        5.00    (#   2658:25   Unique)
 &rst
  ixpk= 2658, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#    0 AMB  25-2:2659    63 ILE  HG11        5.00    (#   2659:25   Single Ambig)
 &rst
  ixpk= 2659, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 877, 399,1043,
 igr2= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HG11        2.70    (#   2660:25   Unique)
 &rst
  ixpk= 2660, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 907, 908, 909,
 igr2= 904, 905,
 &end
#
#   63 ILE  HA           63 ILE  HG11        5.00    (#   2662:25   Unique)
 &rst
  ixpk= 2662, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#    0 AMB  25-2:2796     9 PRO  HG2         3.30    (#   2796:25   Single Ambig)
 &rst
  ixpk= 2796, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 148, 121,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD1           9 PRO  HG2         3.30    (#   2797:25   Unique)
 &rst
  ixpk= 2797, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD2           9 PRO  HG2         3.30    (#   2798:25   Unique)
 &rst
  ixpk= 2798, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    0 AMB  25-2:2800     9 PRO  HG1         3.30    (#   2800:25   Single Ambig)
 &rst
  ixpk= 2800, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 148, 121,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD1           9 PRO  HG1         3.30    (#   2801:25   Unique)
 &rst
  ixpk= 2801, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD2           9 PRO  HG1         3.30    (#   2802:25   Unique)
 &rst
  ixpk= 2802, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#   43 ARG  HA           43 ARG  HG1         5.00    (#   2860:25   Unique)
 &rst
  ixpk= 2860, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:2861     0 AMB  25-1:2861   2.70    (#   2861:25   Double Ambig)
 &rst
  ixpk= 2861, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 603, 604,1130,1131,
 igr2= 600, 601,1127,1128,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.00    (#   2864:25   Unique)
 &rst
  ixpk= 2864, iat= 166, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:2865     0 AMB  25-1:2865   3.30    (#   2865:25   Double Ambig)
 &rst
  ixpk= 2865, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HD21         11 LEU  HG          3.30    (#   2866:25   Unique)
 &rst
  ixpk= 2866, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 179, 180, 181,
 &end
#
#   43 ARG  HA           43 ARG  HG2         5.00    (#   2867:25   Unique)
 &rst
  ixpk= 2867, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:2869     0 AMB  25-1:2869   3.30    (#   2869:25   Double Ambig)
 &rst
  ixpk= 2869, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 603, 604,1130,1131, 105, 106,
 igr2= 600, 601,1127,1128, 102, 103,
 &end
#
#    0 AMB  25-2:2873     0 AMB  25-1:2873   6.00    (#   2873:25   Double Ambig)
 &rst
  ixpk= 2873, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  78, 292,
 igr2=  86,  87, 904, 905,
 &end
#
#   31 CYS  HA           62 LEU  HG          5.00    (#   2876:25   Unique)
 &rst
  ixpk= 2876, iat= 436, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HD1          62 LEU  HG          5.00    (#   2877:25   Unique)
 &rst
  ixpk= 2877, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   62 LEU  HD21         62 LEU  HG          5.00    (#   2880:25   Unique)
 &rst
  ixpk= 2880, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#    6 ILE  HA            0 AMB  25-1:2881   5.00    (#   2881:25   Single Ambig)
 &rst
  ixpk= 2881, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  86,  87, 129, 130,
 &end
#
#   65 ASP  HA           66 PRO  HG1         5.00    (#   2966:25   Unique)
 &rst
  ixpk= 2966, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD2          66 PRO  HG1         3.30    (#   2967:25   Unique)
 &rst
  ixpk= 2967, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG1         5.00    (#   2968:25   Unique)
 &rst
  ixpk= 2968, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#   63 ILE  HG21         66 PRO  HG1         5.00    (#   2969:25   Unique)
 &rst
  ixpk= 2969, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902,
 igr2= 951, 952,
 &end
#
#   65 ASP  HA           66 PRO  HG2         5.00    (#   2970:25   Unique)
 &rst
  ixpk= 2970, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 951, 952,
 &end
#
#    0 AMB  25-2:2971    66 PRO  HG2         5.00    (#   2971:25   Single Ambig)
 &rst
  ixpk= 2971, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 957,1019,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD1          66 PRO  HG2         5.00    (#   2972:25   Unique)
 &rst
  ixpk= 2972, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD2          66 PRO  HG2         5.00    (#   2973:25   Unique)
 &rst
  ixpk= 2973, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG2         5.00    (#   2976:25   Unique)
 &rst
  ixpk= 2976, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#   63 ILE  HG21         66 PRO  HG2         5.00    (#   2977:25   Unique)
 &rst
  ixpk= 2977, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902,
 igr2= 951, 952,
 &end
#
#    7 ARG  HD1           7 ARG  HG2         2.70    (#   2984:25   Unique)
 &rst
  ixpk= 2984, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 105, 106,
 igr2= 102, 103,
 &end
#
#    5 GLU  HB1           7 ARG  HG2         5.00    (#   2985:25   Unique)
 &rst
  ixpk= 2985, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  65,  66,
 igr2= 102, 103,
 &end
#
#    8 ILE  HN            0 AMB  25-1:2986   5.00    (#   2986:25   Single Ambig)
 &rst
  ixpk= 2986, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 129, 130,  86,  87,
 &end
#
#    0 AMB  25-2:2987     0 AMB  25-1:2987   3.30    (#   2987:25   Double Ambig)
 &rst
  ixpk= 2987, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 129, 130,
 &end
#
#    0 AMB  25-2:2990     0 AMB  25-1:2990   3.30    (#   2990:25   Double Ambig)
 &rst
  ixpk= 2990, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 123,  80,
 igr2= 129, 130,  86,  87,
 &end
#
#   75 ARG  HA           75 ARG  HG2         5.00    (#   3136:25   Unique)
 &rst
  ixpk= 3136, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#    8 ILE  HN            0 AMB  25-1:3137   6.00    (#   3137:25   Single Ambig)
 &rst
  ixpk= 3137, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 129, 130,  86,  87,
 &end
#
#    8 ILE  HA            0 AMB  25-1:3138   5.00    (#   3138:25   Single Ambig)
 &rst
  ixpk= 3138, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 129, 130,  86,  87,
 &end
#
#   32 PRO  HA           32 PRO  HG1         5.00    (#   3202:25   Unique)
 &rst
  ixpk= 3202, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 448, 449,
 &end
#
#    0 AMB  25-2:3203    32 PRO  HG1         5.00    (#   3203:25   Single Ambig)
 &rst
  ixpk= 3203, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 472, 482,
 igr2= 448, 449,
 &end
#
#   31 CYS  HA           32 PRO  HG1         5.00    (#   3204:25   Unique)
 &rst
  ixpk= 3204, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 448, 449,
 &end
#
#   32 PRO  HD1          32 PRO  HG1         3.30    (#   3205:25   Unique)
 &rst
  ixpk= 3205, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 445, 446,
 igr2= 448, 449,
 &end
#
#   40 VAL  MG2          54 PRO  HG1         5.00    (#   3209:25   Unique)
 &rst
  ixpk= 3209, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 551, 552, 553,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD2          54 PRO  HG1         2.70    (#   3210:25   Unique)
 &rst
  ixpk= 3210, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   13 GLU  HA           75 ARG  HG2         5.00    (#   3214:25   Unique)
 &rst
  ixpk= 3214, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG2         5.00    (#   3215:25   Unique)
 &rst
  ixpk= 3215, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   75 ARG  HA           75 ARG  HG1         5.00    (#   3218:25   Unique)
 &rst
  ixpk= 3218, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   13 GLU  HA           75 ARG  HG1         5.00    (#   3219:25   Unique)
 &rst
  ixpk= 3219, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG1         3.30    (#   3220:25   Unique)
 &rst
  ixpk= 3220, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   54 PRO  HD1          54 PRO  HG1         5.00    (#   3313:25   Unique)
 &rst
  ixpk= 3313, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HA           54 PRO  HG2         5.00    (#   3316:25   Unique)
 &rst
  ixpk= 3316, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD1          54 PRO  HG2         5.00    (#   3317:25   Unique)
 &rst
  ixpk= 3317, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD2          54 PRO  HG2         5.00    (#   3318:25   Unique)
 &rst
  ixpk= 3318, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HB1          54 PRO  HG2         5.00    (#   3319:25   Unique)
 &rst
  ixpk= 3319, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772, 773,
 igr2= 769, 770,
 &end
#
#   69 LYS  HA           69 LYS  HG1         5.00    (#   3415:25   Unique)
 &rst
  ixpk= 3415, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG1         5.00    (#   3416:25   Unique)
 &rst
  ixpk= 3416, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3417    69 LYS  HG1         5.00    (#   3417:25   Single Ambig)
 &rst
  ixpk= 3417, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG1         5.00    (#   3418:25   Unique)
 &rst
  ixpk= 3418, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3421    69 LYS  HG1         5.00    (#   3421:25   Single Ambig)
 &rst
  ixpk= 3421, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 243, 244, 245,1095,1096,1097,1099,1100,1101,
 igr2= 992, 993,
 &end
#
#   69 LYS  HA           69 LYS  HG2         5.00    (#   3422:25   Unique)
 &rst
  ixpk= 3422, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG2         3.30    (#   3423:25   Unique)
 &rst
  ixpk= 3423, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3424    69 LYS  HG2         5.00    (#   3424:25   Single Ambig)
 &rst
  ixpk= 3424, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG2         3.30    (#   3425:25   Unique)
 &rst
  ixpk= 3425, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3426    69 LYS  HG2         3.30    (#   3426:25   Single Ambig)
 &rst
  ixpk= 3426, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 990, 995, 996,
 igr2= 992, 993,
 &end
#
#   76 VAL  MGX          69 LYS  HG2         5.00    (#   3428:25   Unique)
 &rst
  ixpk= 3428, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2= 992, 993,
 &end
#
#   57 GLN  HN           57 GLN  HB3         5.00    (#   3545:25   Unique)
 &rst
  ixpk= 3545, iat= 806, 811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:3657    62 LEU  HD11        5.00    (#   3657:25   Single Ambig)
 &rst
  ixpk= 3657, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 877, 399,
 igr2= 884, 885, 886,
 &end
#
#    0 AMB  25-2:3658    62 LEU  HD11        5.00    (#   3658:25   Single Ambig)
 &rst
  ixpk= 3658, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 436, 915,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HD1          62 LEU  HD11        3.30    (#   3659:25   Unique)
 &rst
  ixpk= 3659, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 445, 446,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HB2          62 LEU  HD11        5.00    (#   3660:25   Unique)
 &rst
  ixpk= 3660, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 451, 452,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB2          62 LEU  HD11        5.00    (#   3661:25   Unique)
 &rst
  ixpk= 3661, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB3          62 LEU  HD11        3.30    (#   3662:25   Unique)
 &rst
  ixpk= 3662, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 884, 885, 886,
 &end
#
#   77 GLU  HG2          11 LEU  HD11        6.00    (#   3799:25   Unique)
 &rst
  ixpk= 3799, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1112,1113,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HN           11 LEU  HD11        5.00    (#   3839:25   Unique)
 &rst
  ixpk= 3839, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HA           11 LEU  HD11        5.00    (#   3840:25   Unique)
 &rst
  ixpk= 3840, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  25-2:3841    11 LEU  HD11        5.00    (#   3841:25   Single Ambig)
 &rst
  ixpk= 3841, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1107,1091,
 igr2= 175, 176, 177,
 &end
#
#   75 ARG  HD1          11 LEU  HD11        6.00    (#   3842:25   Unique)
 &rst
  ixpk= 3842, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1075,1076,
 igr2= 175, 176, 177,
 &end
#
#   77 GLU  HB1          11 LEU  HD11        5.00    (#   3844:25   Unique)
 &rst
  ixpk= 3844, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1109,1110,
 igr2= 175, 176, 177,
 &end
#
#    9 PRO  HB2          11 LEU  HD11        6.00    (#   3846:25   Unique)
 &rst
  ixpk= 3846, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 145, 146,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  25-2:3847    11 LEU  HD11        3.30    (#   3847:25   Single Ambig)
 &rst
  ixpk= 3847, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 170,1069,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  25-2:3848    11 LEU  HD11        3.30    (#   3848:25   Single Ambig)
 &rst
  ixpk= 3848, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1072,1073, 173,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HB3          11 LEU  HD11        5.00    (#   3849:25   Unique)
 &rst
  ixpk= 3849, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#   64 LYS  HE1          64 LYS  HG1         5.00    (#   4001:25   Unique)
 &rst
  ixpk= 4001, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 920, 921,
 &end
#
#   64 LYS  HB+          64 LYS  HG1         3.30    (#   4002:25   Unique)
 &rst
  ixpk= 4002, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918,
 igr2= 920, 921,
 &end
#
#   64 LYS  HE1          64 LYS  HG2         5.00    (#   4004:25   Unique)
 &rst
  ixpk= 4004, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 920, 921,
 &end
#
#   64 LYS  HB+          64 LYS  HG2         3.30    (#   4005:25   Unique)
 &rst
  ixpk= 4005, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918,
 igr2= 920, 921,
 &end
#
#   61 THR  HA           61 THR  HB          3.30    (#   4074:25   Unique)
 &rst
  ixpk= 4074, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:4076    61 THR  HB          5.00    (#   4076:25   Single Ambig)
 &rst
  ixpk= 4076, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 399, 877,
 &end
#
#    0 AMB  25-2:4077    61 THR  HB          5.00    (#   4077:25   Single Ambig)
 &rst
  ixpk= 4077, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 396, 397, 393, 394,
 &end
#
#   61 THR  HG21         61 THR  HB          3.30    (#   4078:25   Unique)
 &rst
  ixpk= 4078, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  25-2:4081     0 AMB  25-1:4081   5.00    (#   4081:25   Double Ambig)
 &rst
  ixpk= 4081, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 920, 921,
 &end
#
#   64 LYS  HA           64 LYS  HG2         5.00    (#   4084:25   Unique)
 &rst
  ixpk= 4084, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 920, 921,
 &end
#
#   62 LEU  HN           61 THR  HB          5.00    (#   4158:25   Unique)
 &rst
  ixpk= 4158, iat= 875, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:4159    61 THR  HB          3.30    (#   4159:25   Single Ambig)
 &rst
  ixpk= 4159, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 393, 394, 408,
 &end
#
#    0 AMB  25-2:4236    23 LYS  HG1         5.00    (#   4236:25   Single Ambig)
 &rst
  ixpk= 4236, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329, 966,
 igr2= 322, 323,
 &end
#
#   12 GLU  HN           11 LEU  HD21        5.00    (#   4460:25   Unique)
 &rst
  ixpk= 4460, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4461     0 AMB  25-1:4461   3.30    (#   4461:25   Double Ambig)
 &rst
  ixpk= 4461, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 894,1105,
 igr2= 888, 889, 890, 179, 180, 181,
 &end
#
#   11 LEU  HN           11 LEU  HD21        5.00    (#   4462:25   Unique)
 &rst
  ixpk= 4462, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#   11 LEU  HA           11 LEU  HD21        5.00    (#   4463:25   Unique)
 &rst
  ixpk= 4463, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4464    11 LEU  HD21        2.70    (#   4464:25   Single Ambig)
 &rst
  ixpk= 4464, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1107,1091,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4465    11 LEU  HD21        5.00    (#   4465:25   Single Ambig)
 &rst
  ixpk= 4465, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1122, 154,
 igr2= 179, 180, 181,
 &end
#
#   75 ARG  HD1          11 LEU  HD21        5.00    (#   4466:25   Unique)
 &rst
  ixpk= 4466, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1075,1076,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HG1          11 LEU  HD21        5.00    (#   4467:25   Unique)
 &rst
  ixpk= 4467, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1112,1113,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HG2          11 LEU  HD21        5.00    (#   4468:25   Unique)
 &rst
  ixpk= 4468, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1112,1113,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HB1          11 LEU  HD21        5.00    (#   4469:25   Unique)
 &rst
  ixpk= 4469, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1109,1110,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4470    11 LEU  HD21        5.00    (#   4470:25   Single Ambig)
 &rst
  ixpk= 4470, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 170,1069,1124,1125,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4471     0 AMB  25-1:4471   2.70    (#   4471:25   Double Ambig)
 &rst
  ixpk= 4471, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1072,1073, 173, 879,
 igr2= 179, 180, 181, 888, 889, 890,
 &end
#
#   62 LEU  HN           62 LEU  HD21        5.00    (#   4475:25   Unique)
 &rst
  ixpk= 4475, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   55 HIS  HD2          62 LEU  HD21        5.00    (#   4476:25   Unique)
 &rst
  ixpk= 4476, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   62 LEU  HA           62 LEU  HD21        3.30    (#   4478:25   Unique)
 &rst
  ixpk= 4478, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:4479    62 LEU  HD21        5.00    (#   4479:25   Single Ambig)
 &rst
  ixpk= 4479, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 915, 436,
 igr2= 888, 889, 890,
 &end
#
#   32 PRO  HD1          62 LEU  HD21        5.00    (#   4480:25   Unique)
 &rst
  ixpk= 4480, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 445, 446,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:4481    62 LEU  HD21        5.00    (#   4481:25   Single Ambig)
 &rst
  ixpk= 4481, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 igr2= 888, 889, 890,
 &end
#
#   56 CYS  HB1          62 LEU  HD21        5.00    (#   4482:25   Unique)
 &rst
  ixpk= 4482, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   62 LEU  HG           62 LEU  HD21        3.30    (#   4483:25   Unique)
 &rst
  ixpk= 4483, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:4558    26 THR  HB          5.00    (#   4558:25   Single Ambig)
 &rst
  ixpk= 4558, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 358, 315,
 &end
#
#   27 GLN  HN           26 THR  HB          5.00    (#   4560:25   Unique)
 &rst
  ixpk= 4560, iat= 372, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HA           26 THR  HB          3.30    (#   4561:25   Unique)
 &rst
  ixpk= 4561, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:4563    26 THR  HB          2.70    (#   4563:25   Single Ambig)
 &rst
  ixpk= 4563, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 364, 365, 366, 309, 310, 311,
 &end
#
#   16 VAL  HN           16 VAL  MG2         5.00    (#   4568:25   Unique)
 &rst
  ixpk= 4568, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   17 CYS  HN           16 VAL  MG2         5.00    (#   4569:25   Unique)
 &rst
  ixpk= 4569, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HA           16 VAL  MG2         6.00    (#   4570:25   Unique)
 &rst
  ixpk= 4570, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 247, 248, 249,
 &end
#
#   16 VAL  HA           16 VAL  MG2         3.30    (#   4571:25   Unique)
 &rst
  ixpk= 4571, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4572    16 VAL  MG2         5.00    (#   4572:25   Single Ambig)
 &rst
  ixpk= 4572, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 998, 999, 966,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4573    16 VAL  MG2         2.70    (#   4573:25   Single Ambig)
 &rst
  ixpk= 4573, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 995, 996, 241,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4574    16 VAL  MG2         3.30    (#   4574:25   Single Ambig)
 &rst
  ixpk= 4574, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 995, 996, 990,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG1          16 VAL  MG2         5.00    (#   4575:25   Unique)
 &rst
  ixpk= 4575, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG2          16 VAL  MG2         5.00    (#   4576:25   Unique)
 &rst
  ixpk= 4576, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4660    33 THR  HG21        5.00    (#   4660:25   Single Ambig)
 &rst
  ixpk= 4660, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 541,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HN           33 THR  HG21        5.00    (#   4661:25   Unique)
 &rst
  ixpk= 4661, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4662    33 THR  HG21        5.00    (#   4662:25   Single Ambig)
 &rst
  ixpk= 4662, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 472, 482,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HB           33 THR  HG21        3.30    (#   4666:25   Unique)
 &rst
  ixpk= 4666, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4667    33 THR  HG21        2.70    (#   4667:25   Single Ambig)
 &rst
  ixpk= 4667, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 460, 766, 767,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4668    33 THR  HG21        5.00    (#   4668:25   Single Ambig)
 &rst
  ixpk= 4668, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 766, 767, 445, 446,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB1          33 THR  HG21        5.00    (#   4669:25   Unique)
 &rst
  ixpk= 4669, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 783, 784,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB2          33 THR  HG21        5.00    (#   4670:25   Unique)
 &rst
  ixpk= 4670, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4671    33 THR  HG21        5.00    (#   4671:25   Single Ambig)
 &rst
  ixpk= 4671, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 448, 449, 759,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4672    33 THR  HG21        5.00    (#   4672:25   Single Ambig)
 &rst
  ixpk= 4672, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 769, 770, 438,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG1          33 THR  HG21        3.30    (#   4678:25   Unique)
 &rst
  ixpk= 4678, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 547, 548, 549,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG2          33 THR  HG21        5.00    (#   4679:25   Unique)
 &rst
  ixpk= 4679, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 464, 465, 466,
 &end
#
#   16 VAL  HN           16 VAL  MG1         5.00    (#   4933:25   Unique)
 &rst
  ixpk= 4933, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   17 CYS  HN           16 VAL  MG1         5.00    (#   4934:25   Unique)
 &rst
  ixpk= 4934, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   23 LYS  HA           16 VAL  MG1         5.00    (#   4935:25   Unique)
 &rst
  ixpk= 4935, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4936     0 AMB  25-1:4936   2.70    (#   4936:25   Double Ambig)
 &rst
  ixpk= 4936, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 239, 338, 339, 766, 767,
 igr2= 243, 244, 245, 547, 548, 549,
 &end
#
#    0 AMB  25-2:4937    16 VAL  MG1         3.30    (#   4937:25   Single Ambig)
 &rst
  ixpk= 4937, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 338, 339, 258,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4939    16 VAL  MG1         6.00    (#   4939:25   Single Ambig)
 &rst
  ixpk= 4939, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 257, 230,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4940    16 VAL  MG1         2.70    (#   4940:25   Single Ambig)
 &rst
  ixpk= 4940, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 241, 344, 345,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4941    16 VAL  MG1         5.00    (#   4941:25   Single Ambig)
 &rst
  ixpk= 4941, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 995, 996, 990,
 igr2= 243, 244, 245,
 &end
#
#   40 VAL  HN           40 VAL  MG1         5.00    (#   4942:25   Unique)
 &rst
  ixpk= 4942, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   41 GLN  HN           40 VAL  MG1         5.00    (#   4943:25   Unique)
 &rst
  ixpk= 4943, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  25-2:4945    40 VAL  MG1         5.00    (#   4945:25   Single Ambig)
 &rst
  ixpk= 4945, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 524, 823,
 igr2= 547, 548, 549,
 &end
#
#   39 GLN  HA           40 VAL  MG1         5.00    (#   4946:25   Unique)
 &rst
  ixpk= 4946, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HA           40 VAL  MG1         5.00    (#   4947:25   Unique)
 &rst
  ixpk= 4947, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   40 VAL  HA           40 VAL  MG1         5.00    (#   4948:25   Unique)
 &rst
  ixpk= 4948, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   53 CYS  HA           40 VAL  MG1         5.00    (#   4949:25   Unique)
 &rst
  ixpk= 4949, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  25-2:4950    40 VAL  MG1         3.30    (#   4950:25   Single Ambig)
 &rst
  ixpk= 4950, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 766, 767, 460,
 igr2= 547, 548, 549,
 &end
#
#   24 PRO  HB1          16 VAL  MG1         5.00    (#   4951:25   Unique)
 &rst
  ixpk= 4951, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 344, 345,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4952     0 AMB  25-1:4952   2.70    (#   4952:25   Double Ambig)
 &rst
  ixpk= 4952, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 759, 341, 342, 545,
 igr2= 547, 548, 549, 243, 244, 245,
 &end
#
#   69 LYS  HG1          16 VAL  MG1         5.00    (#   4953:25   Unique)
 &rst
  ixpk= 4953, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 243, 244, 245,
 &end
#
#   34 CYS  HB3          40 VAL  MG1         5.00    (#   5018:25   Unique)
 &rst
  ixpk= 5018, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   33 THR  HG21         40 VAL  MG1         5.00    (#   5019:25   Unique)
 &rst
  ixpk= 5019, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  25-2:5104    76 VAL  MGX         5.00    (#   5104:25   Single Ambig)
 &rst
  ixpk= 5104, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 237,1105,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HN           76 VAL  MGX         5.00    (#   5105:25   Unique)
 &rst
  ixpk= 5105, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5106    76 VAL  MGX         5.00    (#   5106:25   Single Ambig)
 &rst
  ixpk= 5106, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1007,1017,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGX         5.00    (#   5107:25   Unique)
 &rst
  ixpk= 5107, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HA           76 VAL  MGX         3.30    (#   5108:25   Unique)
 &rst
  ixpk= 5108, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGX         5.00    (#   5109:25   Unique)
 &rst
  ixpk= 5109, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB3          76 VAL  MGX         5.00    (#   5111:25   Unique)
 &rst
  ixpk= 5111, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB2          76 VAL  MGX         5.00    (#   5112:25   Unique)
 &rst
  ixpk= 5112, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HN           76 VAL  MGX         5.00    (#   5114:25   Unique)
 &rst
  ixpk= 5114, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   15 ASP  HN           76 VAL  MGX         5.00    (#   5115:25   Unique)
 &rst
  ixpk= 5115, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HA           76 VAL  MGX         5.00    (#   5118:25   Unique)
 &rst
  ixpk= 5118, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGX         5.00    (#   5119:25   Unique)
 &rst
  ixpk= 5119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5120    76 VAL  MGX         5.00    (#   5120:25   Single Ambig)
 &rst
  ixpk= 5120, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5121    76 VAL  MGX         5.00    (#   5121:25   Single Ambig)
 &rst
  ixpk= 5121, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1070,1072,1073,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG1          76 VAL  MGX         5.00    (#   5122:25   Unique)
 &rst
  ixpk= 5122, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5203     0 AMB  25-1:5203   5.00    (#   5203:25   Double Ambig)
 &rst
  ixpk= 5203, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  29, 156,
 &end
#
#   11 LEU  HN           10 THR  HB          5.00    (#   5204:25   Unique)
 &rst
  ixpk= 5204, iat= 166, 156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:5206     0 AMB  25-1:5206   5.00    (#   5206:25   Double Ambig)
 &rst
  ixpk= 5206, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  43,  44,1124,1125, 145, 146,
 igr2=  29, 156,
 &end
#
#    0 AMB  25-2:5207    10 THR  HB          5.00    (#   5207:25   Single Ambig)
 &rst
  ixpk= 5207, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 170,1124,1125,
 &end
#
#    0 AMB  25-2:5208     0 AMB  25-1:5208   2.70    (#   5208:25   Double Ambig)
 &rst
  ixpk= 5208, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 158, 159, 160,  31,  32,  33,
 igr2= 156,  29,
 &end
#
#    0 AMB  25-2:5210    10 THR  HB          5.00    (#   5210:25   Single Ambig)
 &rst
  ixpk= 5210, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1107, 148,
 &end
#
#    0 AMB  25-2:5213     0 AMB  25-1:5213   5.00    (#   5213:25   Double Ambig)
 &rst
  ixpk= 5213, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 152,  39,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#   11 LEU  HN           10 THR  HG21        5.00    (#   5214:25   Unique)
 &rst
  ixpk= 5214, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5215    10 THR  HG21        6.00    (#   5215:25   Single Ambig)
 &rst
  ixpk= 5215, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1107, 148,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5216     0 AMB  25-1:5216   3.30    (#   5216:25   Double Ambig)
 &rst
  ixpk= 5216, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 154,  27,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#    0 AMB  25-2:5217     0 AMB  25-1:5217   2.70    (#   5217:25   Double Ambig)
 &rst
  ixpk= 5217, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 156,  29,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#   78 ARG  HD1          10 THR  HG21        5.00    (#   5218:25   Unique)
 &rst
  ixpk= 5218, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1130,1131,
 igr2= 158, 159, 160,
 &end
#
#   12 GLU  HG1          10 THR  HG21        5.00    (#   5219:25   Unique)
 &rst
  ixpk= 5219, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 192, 193,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5220    10 THR  HG21        5.00    (#   5220:25   Single Ambig)
 &rst
  ixpk= 5220, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 123, 145, 146,
 igr2= 158, 159, 160,
 &end
#
#   11 LEU  HB2          10 THR  HG21        6.00    (#   5221:25   Unique)
 &rst
  ixpk= 5221, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5227     0 AMB  25-1:5227   5.00    (#   5227:25   Double Ambig)
 &rst
  ixpk= 5227, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 372, 741,
 igr2= 364, 365, 366, 747, 748, 749,
 &end
#
#   26 THR  HN           26 THR  HG21        5.00    (#   5228:25   Unique)
 &rst
  ixpk= 5228, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5229     0 AMB  25-1:5229   3.30    (#   5229:25   Double Ambig)
 &rst
  ixpk= 5229, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 823, 434, 935,
 igr2= 747, 748, 749, 426, 427, 428, 364, 365, 366,
 &end
#
#    0 AMB  25-2:5230     0 AMB  25-1:5230   5.00    (#   5230:25   Double Ambig)
 &rst
  ixpk= 5230, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 374, 863,
 igr2= 364, 365, 366, 426, 427, 428,
 &end
#
#   58 GLY  HA1          52 THR  HG21        2.70    (#   5232:25   Unique)
 &rst
  ixpk= 5232, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 825, 826,
 igr2= 747, 748, 749,
 &end
#
#   26 THR  HB           26 THR  HG21        2.70    (#   5233:25   Unique)
 &rst
  ixpk= 5233, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 364, 365, 366,
 &end
#
#   52 THR  HA           52 THR  HG21        3.30    (#   5234:25   Unique)
 &rst
  ixpk= 5234, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  25-2:5235     0 AMB  25-1:5235   2.70    (#   5235:25   Double Ambig)
 &rst
  ixpk= 5235, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 424, 745,
 igr2= 426, 427, 428, 747, 748, 749,
 &end
#
#   23 LYS  HE1          26 THR  HG21        5.00    (#   5237:25   Unique)
 &rst
  ixpk= 5237, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB2          26 THR  HG21        5.00    (#   5238:25   Unique)
 &rst
  ixpk= 5238, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB3          26 THR  HG21        5.00    (#   5239:25   Unique)
 &rst
  ixpk= 5239, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5240    52 THR  HG21        5.00    (#   5240:25   Single Ambig)
 &rst
  ixpk= 5240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 810, 813, 814, 813, 814,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  25-2:5241    52 THR  HG21        5.00    (#   5241:25   Single Ambig)
 &rst
  ixpk= 5241, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 531, 532,
 igr2= 747, 748, 749,
 &end
#
#   59 ARG  HG1          52 THR  HG21        6.00    (#   5242:25   Unique)
 &rst
  ixpk= 5242, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 837, 838,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  25-2:5243    26 THR  HG21        3.30    (#   5243:25   Single Ambig)
 &rst
  ixpk= 5243, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 319, 320, 325, 326,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5244    26 THR  HG21        5.00    (#   5244:25   Single Ambig)
 &rst
  ixpk= 5244, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 920, 921, 322, 323,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5250     0 AMB  25-1:5250   5.00    (#   5250:25   Double Ambig)
 &rst
  ixpk= 5250, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 830, 482, 472,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#   39 GLN  HA           52 THR  HG21        5.00    (#   5251:25   Unique)
 &rst
  ixpk= 5251, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 747, 748, 749,
 &end
#
#   35 HIS  HB3          30 THR  HG21        5.00    (#   5252:25   Unique)
 &rst
  ixpk= 5252, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-2:5253     0 AMB  25-1:5253   5.00    (#   5253:25   Double Ambig)
 &rst
  ixpk= 5253, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 760, 439,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#   64 LYS  HB-          26 THR  HG21        6.00    (#   5254:25   Unique)
 &rst
  ixpk= 5254, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 917, 918,
 igr2= 364, 365, 366,
 &end
#
#   40 VAL  MG2          52 THR  HG21        5.00    (#   5256:25   Unique)
 &rst
  ixpk= 5256, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 747, 748, 749,
 &end
#
#   62 LEU  HN           61 THR  HG21        5.00    (#   5258:25   Unique)
 &rst
  ixpk= 5258, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   31 CYS  HN           61 THR  HG21        5.00    (#   5259:25   Unique)
 &rst
  ixpk= 5259, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HN           61 THR  HG21        5.00    (#   5260:25   Unique)
 &rst
  ixpk= 5260, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HA           61 THR  HG21        3.30    (#   5261:25   Unique)
 &rst
  ixpk= 5261, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5264    61 THR  HG21        5.00    (#   5264:25   Single Ambig)
 &rst
  ixpk= 5264, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 399, 877,
 igr2= 867, 868, 869,
 &end
#
#   60 GLY  HA1          61 THR  HG21        5.00    (#   5265:25   Unique)
 &rst
  ixpk= 5265, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 856, 857,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5266    61 THR  HG21        3.30    (#   5266:25   Single Ambig)
 &rst
  ixpk= 5266, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 422, 865,
 igr2= 867, 868, 869,
 &end
#
#   28 PRO  HG2          61 THR  HG21        3.30    (#   5268:25   Unique)
 &rst
  ixpk= 5268, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5269    61 THR  HG21        5.00    (#   5269:25   Single Ambig)
 &rst
  ixpk= 5269, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 396, 397, 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5586    49 VAL  MG1         5.00    (#   5586:25   Single Ambig)
 &rst
  ixpk= 5586, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 691, 707,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5588    49 VAL  MG1         5.00    (#   5588:25   Single Ambig)
 &rst
  ixpk= 5588, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 697, 698, 699,
 &end
#
#   49 VAL  HA           49 VAL  MG1         3.30    (#   5589:25   Unique)
 &rst
  ixpk= 5589, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 697, 698, 699,
 &end
#
#   41 GLN  HG1          49 VAL  MG1         5.00    (#   5591:25   Unique)
 &rst
  ixpk= 5591, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 564, 565,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5592    49 VAL  MG1         3.30    (#   5592:25   Single Ambig)
 &rst
  ixpk= 5592, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 578, 579, 695, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5593    49 VAL  MG1         5.00    (#   5593:25   Single Ambig)
 &rst
  ixpk= 5593, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5594    49 VAL  MG1         5.00    (#   5594:25   Single Ambig)
 &rst
  ixpk= 5594, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 578, 579, 597, 598, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#   52 THR  HN           52 THR  HB          5.00    (#   5725:25   Unique)
 &rst
  ixpk= 5725, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HN           52 THR  HB          5.00    (#   5726:25   Unique)
 &rst
  ixpk= 5726, iat= 755, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:5729    52 THR  HB          5.00    (#   5729:25   Single Ambig)
 &rst
  ixpk= 5729, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 731, 732, 772, 773,
 &end
#
#   32 PRO  HB2          30 THR  HB          5.00    (#   5730:25   Unique)
 &rst
  ixpk= 5730, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 451, 452,
 &end
#
#   30 THR  HN           30 THR  HB          5.00    (#   5825:25   Unique)
 &rst
  ixpk= 5825, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:5826     0 AMB  25-1:5826   5.00    (#   5826:25   Double Ambig)
 &rst
  ixpk= 5826, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 434, 823,
 igr2= 424, 745,
 &end
#
#    0 AMB  25-2:5828    30 THR  HB          5.00    (#   5828:25   Single Ambig)
 &rst
  ixpk= 5828, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 501, 502, 405,
 &end
#
#    0 AMB  25-2:5830     0 AMB  25-1:5830   5.00    (#   5830:25   Double Ambig)
 &rst
  ixpk= 5830, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 825, 826, 501, 502, 775,
 igr2= 745, 424,
 &end
#
#    0 AMB  25-2:5832     0 AMB  25-1:5832   2.70    (#   5832:25   Double Ambig)
 &rst
  ixpk= 5832, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 426, 427, 428, 747, 748, 749,
 igr2= 424, 745,
 &end
#
#   23 LYS  HN           22 ALA  HB1         5.00    (#   5918:25   Unique)
 &rst
  ixpk= 5918, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HN           22 ALA  HB1         3.30    (#   5919:25   Unique)
 &rst
  ixpk= 5919, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HA           22 ALA  HB1         3.30    (#   5920:25   Unique)
 &rst
  ixpk= 5920, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5921    22 ALA  HB1         6.00    (#   5921:25   Single Ambig)
 &rst
  ixpk= 5921, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 362, 289,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5922    22 ALA  HB1         5.00    (#   5922:25   Single Ambig)
 &rst
  ixpk= 5922, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896, 292,
 igr2= 309, 310, 311,
 &end
#
#   28 PRO  HD1          22 ALA  HB1         5.00    (#   5923:25   Unique)
 &rst
  ixpk= 5923, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 390, 391,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG11         22 ALA  HB1         5.00    (#   5924:25   Unique)
 &rst
  ixpk= 5924, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 904, 905,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HD11         22 ALA  HB1         5.00    (#   5926:25   Unique)
 &rst
  ixpk= 5926, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG21         22 ALA  HB1         5.00    (#   5927:25   Unique)
 &rst
  ixpk= 5927, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 900, 901, 902,
 igr2= 309, 310, 311,
 &end
#
#   27 GLN  HA           22 ALA  HB1         5.00    (#   5929:25   Unique)
 &rst
  ixpk= 5929, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5931    22 ALA  HB1         5.00    (#   5931:25   Single Ambig)
 &rst
  ixpk= 5931, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 291, 300, 301,
 igr2= 309, 310, 311,
 &end
#
#   28 PRO  HG2          22 ALA  HB1         5.00    (#   5933:25   Unique)
 &rst
  ixpk= 5933, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5934    22 ALA  HB1         5.00    (#   5934:25   Single Ambig)
 &rst
  ixpk= 5934, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 393, 394, 917, 918,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:6081    49 VAL  MG2         5.00    (#   6081:25   Single Ambig)
 &rst
  ixpk= 6081, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 691,
 igr2= 701, 702, 703,
 &end
#
#   49 VAL  HA           49 VAL  MG2         5.00    (#   6083:25   Unique)
 &rst
  ixpk= 6083, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6085    49 VAL  MG2         5.00    (#   6085:25   Single Ambig)
 &rst
  ixpk= 6085, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6087    49 VAL  MG2         5.00    (#   6087:25   Single Ambig)
 &rst
  ixpk= 6087, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 714, 715, 578, 579,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6090    49 VAL  MG2         5.00    (#   6090:25   Single Ambig)
 &rst
  ixpk= 6090, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 701, 702, 703,
 &end
#
#   48 ALA  HB1          49 VAL  MG2         5.00    (#   6091:25   Unique)
 &rst
  ixpk= 6091, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 685, 686, 687,
 igr2= 701, 702, 703,
 &end
#
#   49 VAL  HN           48 ALA  HB1         5.00    (#   6196:25   Unique)
 &rst
  ixpk= 6196, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#   48 ALA  HN           48 ALA  HB1         5.00    (#   6197:25   Unique)
 &rst
  ixpk= 6197, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6199    48 ALA  HB1         3.30    (#   6199:25   Single Ambig)
 &rst
  ixpk= 6199, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 683, 559,
 igr2= 685, 686, 687,
 &end
#
#   43 ARG  HA           48 ALA  HB1         5.00    (#   6200:25   Unique)
 &rst
  ixpk= 6200, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6201    48 ALA  HB1         5.00    (#   6201:25   Single Ambig)
 &rst
  ixpk= 6201, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 619, 643, 693,
 igr2= 685, 686, 687,
 &end
#
#   43 ARG  HD1          48 ALA  HB1         5.00    (#   6202:25   Unique)
 &rst
  ixpk= 6202, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 603, 604,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6203    48 ALA  HB1         5.00    (#   6203:25   Single Ambig)
 &rst
  ixpk= 6203, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 624, 625, 564, 565,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6204    48 ALA  HB1         5.00    (#   6204:25   Single Ambig)
 &rst
  ixpk= 6204, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6205    48 ALA  HB1         5.00    (#   6205:25   Single Ambig)
 &rst
  ixpk= 6205, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 714, 715, 597, 598, 578, 579,
 igr2= 685, 686, 687,
 &end
#
#   42 MET  HN           49 VAL  MG2         5.00    (#   6216:25   Unique)
 &rst
  ixpk= 6216, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6217    49 VAL  MG2         3.30    (#   6217:25   Single Ambig)
 &rst
  ixpk= 6217, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 714, 715, 578, 579, 711, 712,
 igr2= 701, 702, 703,
 &end
#
#   76 VAL  HN           76 VAL  MGY         5.00    (#   6504:25   Unique)
 &rst
  ixpk= 6504, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   12 GLU  HN           76 VAL  MGY         5.00    (#   6505:25   Unique)
 &rst
  ixpk= 6505, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6506    76 VAL  MGY         5.00    (#   6506:25   Single Ambig)
 &rst
  ixpk= 6506, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1105, 237,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   15 ASP  HN           76 VAL  MGY         5.00    (#   6507:25   Unique)
 &rst
  ixpk= 6507, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGY         6.00    (#   6509:25   Unique)
 &rst
  ixpk= 6509, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HA           76 VAL  MGY         6.00    (#   6510:25   Unique)
 &rst
  ixpk= 6510, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6511    76 VAL  MGY         5.00    (#   6511:25   Single Ambig)
 &rst
  ixpk= 6511, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1091,1107,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGY         5.00    (#   6512:25   Unique)
 &rst
  ixpk= 6512, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6513    76 VAL  MGY         5.00    (#   6513:25   Single Ambig)
 &rst
  ixpk= 6513, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1130,1131,1012,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6514    76 VAL  MGY         5.00    (#   6514:25   Single Ambig)
 &rst
  ixpk= 6514, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 220,1075,1076,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGY         5.00    (#   6515:25   Unique)
 &rst
  ixpk= 6515, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6517    76 VAL  MGY         3.30    (#   6517:25   Single Ambig)
 &rst
  ixpk= 6517, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1093, 192, 193,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6518    76 VAL  MGY         3.30    (#   6518:25   Single Ambig)
 &rst
  ixpk= 6518, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 189, 190,1109,1110,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   12 GLU  HB2          76 VAL  MGY         5.00    (#   6519:25   Unique)
 &rst
  ixpk= 6519, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 189, 190,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6520    76 VAL  MGY         5.00    (#   6520:25   Single Ambig)
 &rst
  ixpk= 6520, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG1          76 VAL  MGY         5.00    (#   6521:25   Unique)
 &rst
  ixpk= 6521, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG2          76 VAL  MGY         5.00    (#   6522:25   Unique)
 &rst
  ixpk= 6522, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   33 THR  HN           33 THR  HB          5.00    (#   6637:25   Unique)
 &rst
  ixpk= 6637, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          33 THR  HB          5.00    (#   6640:25   Unique)
 &rst
  ixpk= 6640, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   33 THR  HG21         33 THR  HB          5.00    (#   6641:25   Unique)
 &rst
  ixpk= 6641, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   34 CYS  HN           33 THR  HB          5.00    (#   6642:25   Unique)
 &rst
  ixpk= 6642, iat= 472, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:6891    40 VAL  MG2         3.30    (#   6891:25   Single Ambig)
 &rst
  ixpk= 6891, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 541, 724,
 igr2= 551, 552, 553,
 &end
#
#   41 GLN  HN           40 VAL  MG2         5.00    (#   6892:25   Unique)
 &rst
  ixpk= 6892, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   39 GLN  HA           40 VAL  MG2         5.00    (#   6893:25   Unique)
 &rst
  ixpk= 6893, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6894    40 VAL  MG2         5.00    (#   6894:25   Single Ambig)
 &rst
  ixpk= 6894, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 559, 726,
 igr2= 551, 552, 553,
 &end
#
#   40 VAL  HA           40 VAL  MG2         5.00    (#   6895:25   Unique)
 &rst
  ixpk= 6895, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   53 CYS  HA           40 VAL  MG2         5.00    (#   6896:25   Unique)
 &rst
  ixpk= 6896, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD1          40 VAL  MG2         3.30    (#   6897:25   Unique)
 &rst
  ixpk= 6897, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD2          40 VAL  MG2         3.30    (#   6898:25   Unique)
 &rst
  ixpk= 6898, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6899    40 VAL  MG2         5.00    (#   6899:25   Single Ambig)
 &rst
  ixpk= 6899, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6900    40 VAL  MG2         5.00    (#   6900:25   Single Ambig)
 &rst
  ixpk= 6900, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 731, 732, 772, 773,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6901    40 VAL  MG2         2.70    (#   6901:25   Single Ambig)
 &rst
  ixpk= 6901, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 545, 759, 531, 532,
 igr2= 551, 552, 553,
 &end
#
#   50 GLN  HG2          40 VAL  MG2         5.00    (#   6902:25   Unique)
 &rst
  ixpk= 6902, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 714, 715,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HG21         40 VAL  MG2         5.00    (#   6903:25   Unique)
 &rst
  ixpk= 6903, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HG21         33 THR  HA          5.00    (#   7203:25   Unique)
 &rst
  ixpk= 7203, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   33 THR  HN           33 THR  HA          5.00    (#   7204:25   Unique)
 &rst
  ixpk= 7204, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:7205    33 THR  HA          5.00    (#   7205:25   Single Ambig)
 &rst
  ixpk= 7205, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 472, 482,
 &end
#
#   65 ASP  HN           63 ILE  HG21        5.00    (#   7551:25   Unique)
 &rst
  ixpk= 7551, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7552    63 ILE  HG21        5.00    (#   7552:25   Single Ambig)
 &rst
  ixpk= 7552, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 961, 305,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7554    63 ILE  HG21        3.30    (#   7554:25   Single Ambig)
 &rst
  ixpk= 7554, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 957, 307,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HA           63 ILE  HG21        5.00    (#   7555:25   Unique)
 &rst
  ixpk= 7555, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7558    63 ILE  HG21        5.00    (#   7558:25   Single Ambig)
 &rst
  ixpk= 7558, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 954, 955, 951, 952,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HB           63 ILE  HG21        3.30    (#   7559:25   Unique)
 &rst
  ixpk= 7559, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7563    63 ILE  HG21        6.00    (#   7563:25   Single Ambig)
 &rst
  ixpk= 7563, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 894, 403,
 igr2= 900, 901, 902,
 &end
#
#   22 ALA  HB1          63 ILE  HG21        5.00    (#   7565:25   Unique)
 &rst
  ixpk= 7565, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 igr2= 900, 901, 902,
 &end
#
#    6 ILE  HA            6 ILE  HG21        5.00    (#   7650:25   Unique)
 &rst
  ixpk= 7650, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  82,  83,  84,
 &end
#
#    0 AMB  25-2:7651     6 ILE  HG21        3.30    (#   7651:25   Single Ambig)
 &rst
  ixpk= 7651, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  80,  43,  44,
 igr2=  82,  83,  84,
 &end
#
#    0 AMB  25-2:7851    42 MET  HE1         5.00    (#   7851:25   Single Ambig)
 &rst
  ixpk= 7851, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 587, 588, 589,
 &end
#
#    8 ILE  HA            8 ILE  HG21        5.00    (#   7874:25   Unique)
 &rst
  ixpk= 7874, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 125, 126, 127,
 &end
#
#    9 PRO  HD1           8 ILE  HG21        5.00    (#   7875:25   Unique)
 &rst
  ixpk= 7875, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 139, 140,
 igr2= 125, 126, 127,
 &end
#
#    9 PRO  HD2           8 ILE  HG21        5.00    (#   7876:25   Unique)
 &rst
  ixpk= 7876, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 139, 140,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  25-2:7877     8 ILE  HG21        2.70    (#   7877:25   Single Ambig)
 &rst
  ixpk= 7877, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 123,  80,
 igr2= 125, 126, 127,
 &end
#
#    5 GLU  HB1           6 ILE  HG21        5.00    (#   7883:25   Unique)
 &rst
  ixpk= 7883, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  65,  66,
 igr2=  82,  83,  84,
 &end
#
#   16 VAL  HN           16 VAL  HA          5.00    (#   8021:25   Unique)
 &rst
  ixpk= 8021, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:8022    16 VAL  HA          5.00    (#   8022:25   Single Ambig)
 &rst
  ixpk= 8022, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 253, 263,
 &end
#
#   16 VAL  HB           16 VAL  HA          3.30    (#   8023:25   Unique)
 &rst
  ixpk= 8023, iat= 241, 239, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:8024    16 VAL  HA          5.00    (#   8024:25   Single Ambig)
 &rst
  ixpk= 8024, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 995, 996, 990,
 &end
#
#    0 AMB  25-2:8025    16 VAL  HA          2.70    (#   8025:25   Single Ambig)
 &rst
  ixpk= 8025, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   62 LEU  HN           30 THR  HA          5.00    (#   8109:25   Unique)
 &rst
  ixpk= 8109, iat= 875, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           30 THR  HA          5.00    (#   8110:25   Unique)
 &rst
  ixpk= 8110, iat= 863, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         30 THR  HA          5.00    (#   8114:25   Unique)
 &rst
  ixpk= 8114, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   61 THR  HG21         30 THR  HA          3.30    (#   8115:25   Unique)
 &rst
  ixpk= 8115, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#   79 SER  HN           79 SER  HB1         5.00    (#   8116:25   Unique)
 &rst
  ixpk= 8116, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1148,1149,
 &end
#
#    0 AMB  25-2:8118     0 AMB  25-1:8118   5.00    (#   8118:25   Double Ambig)
 &rst
  ixpk= 8118, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#    0 AMB  25-2:8119     0 AMB  25-1:8119   5.00    (#   8119:25   Double Ambig)
 &rst
  ixpk= 8119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1122, 347,
 igr2=1148,1149, 239,
 &end
#
#   79 SER  HA           79 SER  HB1         3.30    (#   8120:25   Unique)
 &rst
  ixpk= 8120, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1148,1149,
 &end
#
#    0 AMB  25-2:8121    30 THR  HA          5.00    (#   8121:25   Single Ambig)
 &rst
  ixpk= 8121, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 436, 856, 857,
 &end
#
#   20 SER  HN           20 SER  HB3         3.30    (#   8232:25   Unique)
 &rst
  ixpk= 8232, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   20 SER  HN           20 SER  HB2         5.00    (#   8235:25   Unique)
 &rst
  ixpk= 8235, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:8239    30 THR  HA          6.00    (#   8239:25   Single Ambig)
 &rst
  ixpk= 8239, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 501, 502, 405,
 &end
#
#   24 PRO  HD1          24 PRO  HA          5.00    (#   8307:25   Unique)
 &rst
  ixpk= 8307, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 338, 339,
 &end
#
#   24 PRO  HB1          24 PRO  HA          3.30    (#   8309:25   Unique)
 &rst
  ixpk= 8309, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   24 PRO  HB2          24 PRO  HA          3.30    (#   8310:25   Unique)
 &rst
  ixpk= 8310, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   40 VAL  HN           52 THR  HA          5.00    (#   8366:25   Unique)
 &rst
  ixpk= 8366, iat= 541, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HN           52 THR  HA          5.00    (#   8367:25   Unique)
 &rst
  ixpk= 8367, iat= 741, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HN           52 THR  HA          5.00    (#   8368:25   Unique)
 &rst
  ixpk= 8368, iat= 755, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           52 THR  HA          3.30    (#   8369:25   Unique)
 &rst
  ixpk= 8369, iat= 526, 743, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:8372     0 AMB  25-1:8372   5.00    (#   8372:25   Double Ambig)
 &rst
  ixpk= 8372, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 219, 531, 532, 207, 208,
 igr2= 291, 743,
 &end
#
#    0 AMB  25-2:8373     0 AMB  25-1:8373   5.00    (#   8373:25   Double Ambig)
 &rst
  ixpk= 8373, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  25-2:8376     0 AMB  25-1:8376   5.00    (#   8376:25   Double Ambig)
 &rst
  ixpk= 8376, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 825, 826, 282, 283, 307,
 igr2= 743, 291,
 &end
#
#   55 HIS  HN           54 PRO  HA          5.00    (#   8599:25   Unique)
 &rst
  ixpk= 8599, iat= 779, 775, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HN           54 PRO  HA          6.00    (#   8600:25   Unique)
 &rst
  ixpk= 8600, iat= 806, 775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HN           32 PRO  HA          5.00    (#   8601:25   Unique)
 &rst
  ixpk= 8601, iat= 458, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:8604    32 PRO  HA          5.00    (#   8604:25   Single Ambig)
 &rst
  ixpk= 8604, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 424,
 &end
#
#   32 PRO  HB1          32 PRO  HA          2.70    (#   8605:25   Unique)
 &rst
  ixpk= 8605, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 451, 452,
 &end
#
#   32 PRO  HB2          32 PRO  HA          2.70    (#   8606:25   Unique)
 &rst
  ixpk= 8606, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 451, 452,
 &end
#
#    0 AMB  25-2:8608    32 PRO  HA          5.00    (#   8608:25   Single Ambig)
 &rst
  ixpk= 8608, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#   30 THR  HG21         32 PRO  HA          6.00    (#   8609:25   Unique)
 &rst
  ixpk= 8609, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   54 PRO  HD2          54 PRO  HA          5.00    (#   8687:25   Unique)
 &rst
  ixpk= 8687, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   54 PRO  HB1          54 PRO  HA          2.70    (#   8688:25   Unique)
 &rst
  ixpk= 8688, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 772, 773,
 &end
#
#    0 AMB  25-2:8689     0 AMB  25-1:8689   2.70    (#   8689:25   Double Ambig)
 &rst
  ixpk= 8689, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 772, 773, 142, 143,
 igr2= 775, 148,
 &end
#
#    9 PRO  HB2           9 PRO  HA          3.30    (#   8690:25   Unique)
 &rst
  ixpk= 8690, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 145, 146,
 &end
#
#    0 AMB  25-2:8691     9 PRO  HA          6.00    (#   8691:25   Single Ambig)
 &rst
  ixpk= 8691, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 158, 159, 160, 171,
 &end
#
#   54 PRO  HD1          54 PRO  HA          5.00    (#   8694:25   Unique)
 &rst
  ixpk= 8694, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   10 THR  HN            9 PRO  HA          3.30    (#   8771:25   Unique)
 &rst
  ixpk= 8771, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 GLN  HN           28 PRO  HA          5.00    (#   8912:25   Unique)
 &rst
  ixpk= 8912, iat= 403, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           28 PRO  HA          5.00    (#   8916:25   Unique)
 &rst
  ixpk= 8916, iat= 896, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HB           28 PRO  HA          5.00    (#   8917:25   Unique)
 &rst
  ixpk= 8917, iat= 865, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          28 PRO  HA          5.00    (#   8918:25   Unique)
 &rst
  ixpk= 8918, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#    0 AMB  25-2:8920    28 PRO  HA          5.00    (#   8920:25   Single Ambig)
 &rst
  ixpk= 8920, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 393, 394, 408,
 &end
#
#    0 AMB  25-2:8921    28 PRO  HA          3.30    (#   8921:25   Single Ambig)
 &rst
  ixpk= 8921, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 396, 397, 393, 394, 917, 918,
 &end
#
#   61 THR  HG21         28 PRO  HA          5.00    (#   8924:25   Unique)
 &rst
  ixpk= 8924, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   63 ILE  HD11         28 PRO  HA          5.00    (#   8925:25   Unique)
 &rst
  ixpk= 8925, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#    0 AMB  25-2:8926    28 PRO  HA          5.00    (#   8926:25   Single Ambig)
 &rst
  ixpk= 8926, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902, 888, 889, 890,
 &end
#
#   66 PRO  HD2          66 PRO  HA          6.00    (#   9167:25   Unique)
 &rst
  ixpk= 9167, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 948, 949,
 &end
#
#   66 PRO  HG2          66 PRO  HA          5.00    (#   9168:25   Unique)
 &rst
  ixpk= 9168, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 951, 952,
 &end
#
#    2 VAL  HB            2 VAL  HA          5.00    (#   9172:25   Unique)
 &rst
  ixpk= 9172, iat=  13,  11, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9173     2 VAL  HA          5.00    (#   9173:25   Single Ambig)
 &rst
  ixpk= 9173, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,  19,  20,  21,  15,  16,  17,  19,
        20,  21,
 &end
#
#    0 AMB  25-2:9250    66 PRO  HA          5.00    (#   9250:25   Single Ambig)
 &rst
  ixpk= 9250, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 948, 949, 963,
 &end
#
#   67 CYS  HB3          66 PRO  HA          5.00    (#   9251:25   Unique)
 &rst
  ixpk= 9251, iat= 966, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HD11         66 PRO  HA          5.00    (#   9254:25   Unique)
 &rst
  ixpk= 9254, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   23 LYS  HN           66 PRO  HA          5.00    (#   9255:25   Unique)
 &rst
  ixpk= 9255, iat= 315, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HN           66 PRO  HA          5.00    (#   9256:25   Unique)
 &rst
  ixpk= 9256, iat= 961, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           66 PRO  HA          5.00    (#   9258:25   Unique)
 &rst
  ixpk= 9258, iat= 896, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9259    66 PRO  HA          3.30    (#   9259:25   Single Ambig)
 &rst
  ixpk= 9259, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HA          3.30    (#   9260:25   Unique)
 &rst
  ixpk= 9260, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         66 PRO  HA          5.00    (#   9261:25   Unique)
 &rst
  ixpk= 9261, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#    0 AMB  25-2:9325     0 AMB  25-1:9325   5.00    (#   9325:25   Double Ambig)
 &rst
  ixpk= 9325, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#    0 AMB  25-2:9326    10 THR  HA          5.00    (#   9326:25   Single Ambig)
 &rst
  ixpk= 9326, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128, 173,
 &end
#
#    0 AMB  25-2:9327     0 AMB  25-1:9327   5.00    (#   9327:25   Double Ambig)
 &rst
  ixpk= 9327, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  27, 154,
 &end
#
#    0 AMB  25-2:9334     0 AMB  25-1:9334   5.00    (#   9334:25   Double Ambig)
 &rst
  ixpk= 9334, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 170,1124,1125,  49,  50,
 igr2= 154,  27,
 &end
#
#    0 AMB  25-2:9335     0 AMB  25-1:9335   3.30    (#   9335:25   Double Ambig)
 &rst
  ixpk= 9335, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 158, 159, 160,  31,  32,  33,
 igr2= 154,  27,
 &end
#
#    0 AMB  25-2:9521    63 ILE  HD11        5.00    (#   9521:25   Single Ambig)
 &rst
  ixpk= 9521, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 399, 877,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9522    63 ILE  HD11        5.00    (#   9522:25   Single Ambig)
 &rst
  ixpk= 9522, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 307, 957,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HA           63 ILE  HD11        5.00    (#   9523:25   Unique)
 &rst
  ixpk= 9523, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9524    63 ILE  HD11        5.00    (#   9524:25   Single Ambig)
 &rst
  ixpk= 9524, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 300, 301, 291,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9525    63 ILE  HD11        5.00    (#   9525:25   Single Ambig)
 &rst
  ixpk= 9525, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 300, 301, 800,
 igr2= 907, 908, 909,
 &end
#
#   28 PRO  HG2          63 ILE  HD11        5.00    (#   9526:25   Unique)
 &rst
  ixpk= 9526, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9527    63 ILE  HD11        5.00    (#   9527:25   Single Ambig)
 &rst
  ixpk= 9527, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 403,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HD11        3.30    (#   9528:25   Unique)
 &rst
  ixpk= 9528, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 907, 908, 909,
 &end
#
#   14 CYS  HB3          14 CYS  HA          5.00    (#   9607:25   Unique)
 &rst
  ixpk= 9607, iat= 220, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          14 CYS  HA          3.30    (#   9608:25   Unique)
 &rst
  ixpk= 9608, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   76 VAL  MGY          14 CYS  HA          3.30    (#   9609:25   Unique)
 &rst
  ixpk= 9609, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:9610    14 CYS  HA          5.00    (#   9610:25   Single Ambig)
 &rst
  ixpk= 9610, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 237, 200,
 &end
#
#   15 ASP  HN           14 CYS  HA          3.30    (#   9611:25   Unique)
 &rst
  ixpk= 9611, iat= 225, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HN           14 CYS  HA          5.00    (#   9612:25   Unique)
 &rst
  ixpk= 9612, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 ARG  HN            6 ILE  HA          3.30    (#   9691:25   Unique)
 &rst
  ixpk= 9691, iat=  95,  78, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    6 ILE  HN            6 ILE  HA          5.00    (#   9692:25   Unique)
 &rst
  ixpk= 9692, iat=  76,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HB            6 ILE  HA          5.00    (#   9696:25   Unique)
 &rst
  ixpk= 9696, iat=  80,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HG11          6 ILE  HA          5.00    (#   9698:25   Unique)
 &rst
  ixpk= 9698, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    0 AMB  25-2:9699     6 ILE  HA          5.00    (#   9699:25   Single Ambig)
 &rst
  ixpk= 9699, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  86,  87, 129, 130,
 &end
#
#    0 AMB  25-2:9700     6 ILE  HA          3.30    (#   9700:25   Single Ambig)
 &rst
  ixpk= 9700, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=  89,  90,  91,  82,  83,  84,
 &end
#
#    6 ILE  HA            6 ILE  HD11        5.00    (#   9709:25   Unique)
 &rst
  ixpk= 9709, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  89,  90,  91,
 &end
#
#    0 AMB  25-2:9799     0 AMB  25-1:9799   5.00    (#   9799:25   Double Ambig)
 &rst
  ixpk= 9799, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#    0 AMB  25-2:9800     0 AMB  25-1:9800   3.30    (#   9800:25   Double Ambig)
 &rst
  ixpk= 9800, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 132, 133, 134,
 &end
#
#    0 AMB  25-2:9801     0 AMB  25-1:9801   2.70    (#   9801:25   Double Ambig)
 &rst
  ixpk= 9801, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  86,  87, 904, 905, 129, 130,
 igr2=  89,  90,  91, 907, 908, 909, 132, 133, 134,
 &end
#
#    0 AMB  25-2:9802     0 AMB  25-1:9802   3.30    (#   9802:25   Double Ambig)
 &rst
  ixpk= 9802, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  86,  87, 129, 130,
 igr2=  89,  90,  91, 132, 133, 134,
 &end
#
#    0 AMB  25-2:9915    49 VAL  HA          2.70    (#   9915:25   Single Ambig)
 &rst
  ixpk= 9915, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 707, 691,
 &end
#
#    0 AMB  25-2:9917    49 VAL  HA          5.00    (#   9917:25   Single Ambig)
 &rst
  ixpk= 9917, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 731, 732,
 &end
#
#    0 AMB  25-2:9918    49 VAL  HA          3.30    (#   9918:25   Single Ambig)
 &rst
  ixpk= 9918, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 695, 714, 715,
 &end
#
#    0 AMB  25-2:9919    49 VAL  HA          5.00    (#   9919:25   Single Ambig)
 &rst
  ixpk= 9919, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 561, 562, 711, 712, 728,
 &end
#
#   48 ALA  HB1          49 VAL  HA          5.00    (#   9920:25   Unique)
 &rst
  ixpk= 9920, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#    0 AMB  25-2:9921    49 VAL  HA          5.00    (#   9921:25   Single Ambig)
 &rst
  ixpk= 9921, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 697, 698, 699,
 &end
#
#   50 GLN  HA           49 VAL  HA          5.00    (#   9923:25   Unique)
 &rst
  ixpk= 9923, iat= 709, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9984    63 ILE  HA          5.00    (#   9984:25   Single Ambig)
 &rst
  ixpk= 9984, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 894, 403,
 &end
#
#   64 LYS  HN           63 ILE  HA          5.00    (#   9985:25   Unique)
 &rst
  ixpk= 9985, iat= 913, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           63 ILE  HA          5.00    (#   9987:25   Unique)
 &rst
  ixpk= 9987, iat= 399, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9990    63 ILE  HA          3.30    (#   9990:25   Single Ambig)
 &rst
  ixpk= 9990, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 898, 917, 918,
 &end
#
#   63 ILE  HG11         63 ILE  HA          5.00    (#   9991:25   Unique)
 &rst
  ixpk= 9991, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HA          5.00    (#   9992:25   Unique)
 &rst
  ixpk= 9992, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         63 ILE  HA          5.00    (#   9993:25   Unique)
 &rst
  ixpk= 9993, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   79 SER  HN           79 SER  HA          5.00    (#   10085:25   Unique)
 &rst
  ixpk= 10085, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10086   20 SER  HA          5.00    (#   10086:25   Single Ambig)
 &rst
  ixpk= 10086, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 305, 280,
 &end
#
#   79 SER  HB1          79 SER  HA          3.30    (#   10091:25   Unique)
 &rst
  ixpk= 10091, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1148,1149,
 &end
#
#    0 AMB  25-2:10093    0 AMB  25-1:10093  6.00    (#   10093:25   Double Ambig)
 &rst
  ixpk= 10093, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 393, 394,1124,1125,
 igr2= 289,1146,
 &end
#
#    0 AMB  25-2:10095   20 SER  HA          6.00    (#   10095:25   Single Ambig)
 &rst
  ixpk= 10095, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1043, 282, 283,
 &end
#
#   37 SER  HN           37 SER  HA          5.00    (#   10171:25   Unique)
 &rst
  ixpk= 10171, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLY  HN           37 SER  HA          6.00    (#   10175:25   Unique)
 &rst
  ixpk= 10175, iat= 517, 508, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 SER  HN           20 SER  HA          5.00    (#   10178:25   Unique)
 &rst
  ixpk= 10178, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10181   20 SER  HA          3.30    (#   10181:25   Single Ambig)
 &rst
  ixpk= 10181, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 291,1060,1061,
 &end
#
#   76 VAL  HB           76 VAL  HA          2.70    (#   10295:25   Unique)
 &rst
  ixpk= 10295, iat=1093,1091, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 VAL  MGX          76 VAL  HA          3.30    (#   10296:25   Unique)
 &rst
  ixpk= 10296, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HN           76 VAL  HA          5.00    (#   10297:25   Unique)
 &rst
  ixpk= 10297, iat=1089,1091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HN           76 VAL  HA          3.30    (#   10298:25   Unique)
 &rst
  ixpk= 10298, iat=1105,1091, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   77 GLU  HG1          76 VAL  HA          6.00    (#   10299:25   Unique)
 &rst
  ixpk= 10299, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1112,1113,
 &end
#
#   68 ASN  HN           67 CYS  HA          5.00    (#   10300:25   Unique)
 &rst
  ixpk= 10300, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HN           67 CYS  HA          5.00    (#   10302:25   Unique)
 &rst
  ixpk= 10302, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10304   67 CYS  HA          5.00    (#   10304:25   Single Ambig)
 &rst
  ixpk= 10304, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 307, 957,1019, 973,
 &end
#
#   23 LYS  HA           67 CYS  HA          5.00    (#   10305:25   Unique)
 &rst
  ixpk= 10305, iat= 317, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HA          5.00    (#   10308:25   Unique)
 &rst
  ixpk= 10308, iat= 966, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          67 CYS  HA          5.00    (#   10309:25   Unique)
 &rst
  ixpk= 10309, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   67 CYS  HB2          67 CYS  HA          5.00    (#   10310:25   Unique)
 &rst
  ixpk= 10310, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  QB           67 CYS  HA          3.30    (#   10311:25   Unique)
 &rst
  ixpk= 10311, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          67 CYS  HA          5.00    (#   10312:25   Unique)
 &rst
  ixpk= 10312, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#    0 AMB  25-2:10398   40 VAL  HA          5.00    (#   10398:25   Single Ambig)
 &rst
  ixpk= 10398, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 561, 562, 528, 728,
 &end
#
#    0 AMB  25-2:10484   40 VAL  HA          5.00    (#   10484:25   Single Ambig)
 &rst
  ixpk= 10484, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 541, 574,
 &end
#
#   41 GLN  HN           40 VAL  HA          3.30    (#   10485:25   Unique)
 &rst
  ixpk= 10485, iat= 557, 543, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HA           40 VAL  HA          5.00    (#   10486:25   Unique)
 &rst
  ixpk= 10486, iat= 526, 543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10489   40 VAL  HA          2.70    (#   10489:25   Single Ambig)
 &rst
  ixpk= 10489, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 545, 759,
 &end
#
#   40 VAL  MG1          40 VAL  HA          3.30    (#   10490:25   Unique)
 &rst
  ixpk= 10490, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HA          5.00    (#   10491:25   Unique)
 &rst
  ixpk= 10491, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   62 LEU  HG           61 THR  HA          5.00    (#   10675:25   Unique)
 &rst
  ixpk= 10675, iat= 882, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HN           69 LYS  HA          5.00    (#   10706:25   Unique)
 &rst
  ixpk= 10706, iat= 985, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10707   69 LYS  HA          5.00    (#   10707:25   Single Ambig)
 &rst
  ixpk= 10707, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1007,1017,
 &end
#
#    0 AMB  25-2:10709   69 LYS  HA          3.30    (#   10709:25   Single Ambig)
 &rst
  ixpk= 10709, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 995, 996, 990,
 &end
#
#   69 LYS  HG2          69 LYS  HA          3.30    (#   10710:25   Unique)
 &rst
  ixpk= 10710, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 992, 993,
 &end
#
#   16 VAL  MG1          69 LYS  HA          6.00    (#   10711:25   manually assigned)
 &rst
  ixpk= 10711, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 &end
#
#    0 AMB  25-2:10738   61 THR  HA          5.00    (#   10738:25   Single Ambig)
 &rst
  ixpk= 10738, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 403, 894,
 &end
#
#   30 THR  HG21         61 THR  HA          5.00    (#   10739:25   Unique)
 &rst
  ixpk= 10739, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-2:10741   61 THR  HA          8.00    (#   10741:25   Single Ambig)
 &rst
  ixpk= 10741, iat= 472, 863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    8 ILE  HN            8 ILE  HA          5.00    (#   10774:25   Unique)
 &rst
  ixpk= 10774, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HD1           8 ILE  HA          3.30    (#   10775:25   Unique)
 &rst
  ixpk= 10775, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    9 PRO  HD2           8 ILE  HA          3.30    (#   10776:25   Unique)
 &rst
  ixpk= 10776, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    0 AMB  25-2:10777    8 ILE  HA          5.00    (#   10777:25   Single Ambig)
 &rst
  ixpk= 10777, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  65,  66, 142, 143,
 &end
#
#    8 ILE  HB            8 ILE  HA          5.00    (#   10778:25   Unique)
 &rst
  ixpk= 10778, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10779    8 ILE  HA          5.00    (#   10779:25   Single Ambig)
 &rst
  ixpk= 10779, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    0 AMB  25-2:10780    8 ILE  HA          5.00    (#   10780:25   Single Ambig)
 &rst
  ixpk= 10780, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    8 ILE  HG21          8 ILE  HA          5.00    (#   10781:25   Unique)
 &rst
  ixpk= 10781, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 125, 126, 127,
 &end
#
#    0 AMB  25-2:10782    8 ILE  HA          5.00    (#   10782:25   Single Ambig)
 &rst
  ixpk= 10782, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 132, 133, 134,  82,  83,  84,  89,  90,  91,
 &end
#
#   60 GLY  HN           59 ARG  HA          5.00    (#   10787:25   Unique)
 &rst
  ixpk= 10787, iat= 854, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  HN           59 ARG  HA          5.00    (#   10788:25   Unique)
 &rst
  ixpk= 10788, iat= 830, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10789   59 ARG  HA          5.00    (#   10789:25   Single Ambig)
 &rst
  ixpk= 10789, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 861,
 &end
#
#    0 AMB  25-2:10793   59 ARG  HA          5.00    (#   10793:25   Single Ambig)
 &rst
  ixpk= 10793, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 800,
 &end
#
#   59 ARG  QB           59 ARG  HA          2.70    (#   10794:25   Unique)
 &rst
  ixpk= 10794, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HA          3.30    (#   10795:25   Unique)
 &rst
  ixpk= 10795, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 837, 838,
 &end
#
#   31 CYS  HN           61 THR  HA          5.00    (#   10853:25   Unique)
 &rst
  ixpk= 10853, iat= 434, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HN           61 THR  HA          3.30    (#   10854:25   Unique)
 &rst
  ixpk= 10854, iat= 875, 863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   61 THR  HN           61 THR  HA          5.00    (#   10855:25   Unique)
 &rst
  ixpk= 10855, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10858   61 THR  HA          5.00    (#   10858:25   Single Ambig)
 &rst
  ixpk= 10858, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 422, 865,
 &end
#
#   60 GLY  HA2          61 THR  HA          5.00    (#   10859:25   Unique)
 &rst
  ixpk= 10859, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   31 CYS  HB3          61 THR  HA          5.00    (#   10860:25   Unique)
 &rst
  ixpk= 10860, iat= 439, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10862   61 THR  HA          5.00    (#   10862:25   Single Ambig)
 &rst
  ixpk= 10862, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 834, 835, 408,
 &end
#
#   61 THR  HG21         61 THR  HA          3.30    (#   10863:25   Unique)
 &rst
  ixpk= 10863, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#   47 PHE  HN           46 PHE  HA          5.00    (#   10904:25   Unique)
 &rst
  ixpk= 10904, iat= 661, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HD1          46 PHE  HA          5.00    (#   10905:25   Unique)
 &rst
  ixpk= 10905, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 649, 657,
 &end
#
#   46 PHE  HB+          46 PHE  HA          3.30    (#   10909:25   Unique)
 &rst
  ixpk= 10909, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 645, 646,
 &end
#
#   46 PHE  HB-          46 PHE  HA          3.30    (#   10910:25   Unique)
 &rst
  ixpk= 10910, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 645, 646,
 &end
#
#   74 GLY  HN           73 HIS  HA          5.00    (#   10967:25   Unique)
 &rst
  ixpk= 10967, iat=1058,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HN           73 HIS  HA          5.00    (#   10968:25   Unique)
 &rst
  ixpk= 10968, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HA          5.00    (#   10969:25   Unique)
 &rst
  ixpk= 10969, iat=1054,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10972   73 HIS  HA          3.30    (#   10972:25   Single Ambig)
 &rst
  ixpk= 10972, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1045,1046, 300, 301,
 &end
#
#    0 AMB  25-2:11017   61 THR  HA          5.00    (#   11017:25   Single Ambig)
 &rst
  ixpk= 11017, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 800,
 &end
#
#   13 GLU  HN           13 GLU  HA          5.00    (#   11037:25   Unique)
 &rst
  ixpk= 11037, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HA           13 GLU  HA          5.00    (#   11038:25   Unique)
 &rst
  ixpk= 11038, iat=1067, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11040   13 GLU  HA          5.00    (#   11040:25   Single Ambig)
 &rst
  ixpk= 11040, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1075,1076, 220,
 &end
#
#   64 LYS  HB+          64 LYS  HA          2.70    (#   11127:25   Unique)
 &rst
  ixpk= 11127, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 917, 918,
 &end
#
#   64 LYS  HG2          64 LYS  HA          5.00    (#   11128:25   Unique)
 &rst
  ixpk= 11128, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 920, 921,
 &end
#
#   14 CYS  HN           13 GLU  HA          5.00    (#   11129:25   Unique)
 &rst
  ixpk= 11129, iat= 215, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          13 GLU  HA          5.00    (#   11130:25   Unique)
 &rst
  ixpk= 11130, iat= 219, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HB2          13 GLU  HA          5.00    (#   11131:25   Unique)
 &rst
  ixpk= 11131, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#    0 AMB  25-2:11133   13 GLU  HA          5.00    (#   11133:25   Single Ambig)
 &rst
  ixpk= 11133, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1072,1073,1070,
 &end
#
#   54 PRO  HG2          55 HIS  HA          6.00    (#   11267:25   Unique)
 &rst
  ixpk= 11267, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 769, 770,
 &end
#
#   55 HIS  HN           55 HIS  HA          5.00    (#   11269:25   Unique)
 &rst
  ixpk= 11269, iat= 779, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           55 HIS  HA          5.00    (#   11270:25   Unique)
 &rst
  ixpk= 11270, iat= 796, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           55 HIS  HA          8.00    (#   11273:25   Unique)
 &rst
  ixpk= 11273, iat= 462, 781, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   55 HIS  HD2          55 HIS  HA          5.00    (#   11277:25   Unique)
 &rst
  ixpk= 11277, iat= 792, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          55 HIS  HA          5.00    (#   11278:25   Unique)
 &rst
  ixpk= 11278, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   55 HIS  HB2          55 HIS  HA          5.00    (#   11279:25   Unique)
 &rst
  ixpk= 11279, iat= 783, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HA          5.00    (#   11283:25   Unique)
 &rst
  ixpk= 11283, iat= 499, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           35 HIS  HA          5.00    (#   11284:25   Unique)
 &rst
  ixpk= 11284, iat= 482, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HB3          35 HIS  HA          5.00    (#   11286:25   Unique)
 &rst
  ixpk= 11286, iat= 487, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         35 HIS  HA          5.00    (#   11287:25   Unique)
 &rst
  ixpk= 11287, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   64 LYS  HN           64 LYS  HA          5.00    (#   11293:25   Unique)
 &rst
  ixpk= 11293, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11294    0 AMB  25-1:11294  5.00    (#   11294:25   Double Ambig)
 &rst
  ixpk= 11294, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 434, 935,
 igr2= 436, 915,
 &end
#
#   32 PRO  HD1          31 CYS  HA          5.00    (#   11299:25   Unique)
 &rst
  ixpk= 11299, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   31 CYS  HB2          31 CYS  HA          5.00    (#   11300:25   Unique)
 &rst
  ixpk= 11300, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11301    0 AMB  25-1:11301  5.00    (#   11301:25   Double Ambig)
 &rst
  ixpk= 11301, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 884, 885, 886, 888, 889, 890,
 igr2= 436, 915,
 &end
#
#   57 GLN  HN           57 GLN  HA          5.00    (#   11304:25   Unique)
 &rst
  ixpk= 11304, iat= 806, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11305    0 AMB  25-1:11305  5.00    (#   11305:25   Double Ambig)
 &rst
  ixpk= 11305, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 775, 282, 283, 825, 826,
 igr2= 808, 202,
 &end
#
#    0 AMB  25-2:11307   57 GLN  HA          3.30    (#   11307:25   Single Ambig)
 &rst
  ixpk= 11307, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   52 THR  HG21         57 GLN  HA          5.00    (#   11308:25   Unique)
 &rst
  ixpk= 11308, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, January 22, 2018 3:47:07 PM CST (wattos1)