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
12850 1tot 6238 cing 1-original 1 AMBER distance general distance simple



#
#     9 CYS  HN           14 HIS  O           2.00     (#   1001:99   H-bonds)
 &rst
  ixpk= 1001, nxpk= 99, iat= 135, 221, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#     9 CYS  N            14 HIS  O           2.80     (#   1002:99   H-bonds)
 &rst
  ixpk= 1002, nxpk= 99, iat= 134, 221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    12 CYS  HN            9 CYS  O           2.00     (#   1013:99   H-bonds)
 &rst
  ixpk= 1013, nxpk= 99, iat= 174, 143, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    12 CYS  N             9 CYS  O           2.80     (#   1014:99   H-bonds)
 &rst
  ixpk= 1014, nxpk= 99, iat= 173, 143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    20 TRP  HN           30 LEU  O           2.00     (#   1015:99   H-bonds)
 &rst
  ixpk= 1015, nxpk= 99, iat= 309, 477, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    20 TRP  N            30 LEU  O           2.80     (#   1016:99   H-bonds)
 &rst
  ixpk= 1016, nxpk= 99, iat= 308, 477, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    22 CYS  HN           28 TYR  O           2.00     (#   1017:99   H-bonds)
 &rst
  ixpk= 1017, nxpk= 99, iat= 350, 446, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    22 CYS  N            28 TYR  O           2.80     (#   1018:99   H-bonds)
 &rst
  ixpk= 1018, nxpk= 99, iat= 349, 446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    30 LEU  HN           20 TRP  O           2.00     (#   1019:99   H-bonds)
 &rst
  ixpk= 1019, nxpk= 99, iat= 460, 331, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    30 LEU  N            20 TRP  O           2.80     (#   1020:99   H-bonds)
 &rst
  ixpk= 1020, nxpk= 99, iat= 459, 331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           15 HIS  HA          2.70    (#      0:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 240, 225, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   15 HIS  HD2          15 HIS  HA          5.00    (#      1:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1, nxpk= 20, iat= 236, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3       15 HIS  HA          3.50    (#      3:20  Resolved postSane   )
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228, 227, 228,
 &end
#
#    8 THR  MG2          15 HIS  HA          3.50    (#      4:20  Unique         2.36, 3.39 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#   16 VAL  MG2          15 HIS  HA          5.00    (#      5:20  Unique         3.52, 4.65 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   47 TRP  HN           47 TRP  HA          3.50    (#      6:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 6, nxpk= 20, iat= 739, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 GLY  HN           47 TRP  HA          3.50    (#      7:20  Unique         2.16, 2.33 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 763, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:9       47 TRP  HA          5.00    (#      9:20  NMR Lookup Data     )
 &rst
  ixpk= 9, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 108, 756, 747,
 &end
#
#   47 TRP  HB+          47 TRP  HA          3.50    (#     12:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 743, 744,
 &end
#
#   47 TRP  HB-          47 TRP  HA          2.70    (#     13:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 743, 744,
 &end
#
#   49 LEU  MDY          47 TRP  HA          5.00    (#     14:20  Unique         3.87, 5.46 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#    0 AMB  20-2:15      47 TRP  HA          5.00    (#     15:20  NMR Lookup Data     )
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 728, 277, 278, 279, 721,
 &end
#
#   38 LYS  HN           38 LYS  HA          5.00    (#     16:20  Unique         2.81, 2.91 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 SER  HN           38 LYS  HA          3.50    (#     17:20  Unique         3.49, 3.52 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 603, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HE-          38 LYS  HA          5.00    (#     18:20  Unique         2.16, 2.26 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 594, 595,
 &end
#
#    0 AMB  20-2:19      38 LYS  HA          2.70    (#     19:20  Resolved postSane   )
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 585, 586, 585, 586,
 &end
#
#   38 LYS  HD+          38 LYS  HA          2.70    (#     20:20  Unique         2.68, 2.76 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:21      38 LYS  HA          3.50    (#     21:20  Resolved postSane   )
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 588, 589,
 &end
#
#   21 HIS  HN           46 LYS  HA          3.50    (#     22:20  Unique         2.50, 2.70 A)
 &rst
  ixpk= 22, nxpk= 20, iat= 333, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HN           46 LYS  HA          2.70    (#     23:20  Unique         1.94, 2.03 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 739, 719, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   19 ARG  HN           46 LYS  HA          5.00    (#     24:20  Resolved postSane   )
 &rst
  ixpk= 24, nxpk= 20, iat= 285, 719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HN           46 LYS  HA          3.50    (#     25:20  Unique         2.01, 2.06 A)
 &rst
  ixpk= 25, nxpk= 20, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 TRP  HA           46 LYS  HA          2.70    (#     27:20  Unique         2.06, 2.20 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 311, 719, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   47 TRP  HB-          46 LYS  HA          5.00    (#     28:20  Resolved postSane   )
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#   46 LYS  HB2          46 LYS  HA          2.70    (#     29:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 721, 719, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   46 LYS  HG-          46 LYS  HA          3.50    (#     30:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HA          3.50    (#     31:20  Unique         3.25, 3.31 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HA          3.50    (#     32:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 32, nxpk= 20, iat= 722, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 LEU  HN           51 LEU  HA          5.00    (#     33:20  Unique         2.14, 2.49 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 796, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASP  HN           51 LEU  HA          3.50    (#     34:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 34, nxpk= 20, iat= 815, 798, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:35      51 LEU  HA          2.70    (#     35:20  NMR Lookup Data     )
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 803, 800, 801, 800, 801,
 &end
#
#   51 LEU  MDX          51 LEU  HA          2.70    (#     36:20  Unique         2.46, 3.57 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 805, 806, 807, 809, 810, 811,
 &end
#
#   49 LEU  HN           49 LEU  HA          5.00    (#     37:20  Unique         2.20, 2.55 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:38      36 ASN  HA          3.50    (#     38:20  Resolved postSane   )
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 553, 603,
 &end
#
#   35 TYR  HD2          36 ASN  HA          6.00    (#     39:20  Resolved postSane   )
 &rst
  ixpk= 39, nxpk= 20, iat= 549, 555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:42       0 AMB  20-1:42     5.00    (#     42:20  NMR Lookup Data     )
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 605, 792, 791, 766, 534,
 igr2= 555, 772,
 &end
#
#   36 ASN  HB3          36 ASN  HA          3.50    (#     43:20  Unique         2.71, 2.81 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 558, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:44      49 LEU  HA          3.50    (#     44:20  Resolved postSane   )
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 774, 775, 774, 775,
 &end
#
#   37 THR  MG2          36 ASN  HA          5.00    (#     45:20  Unique         5.05, 6.22 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   18 THR  MG2          49 LEU  HA          5.00    (#     46:20  Unique         4.83, 6.27 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 277, 278, 279,
 &end
#
#   49 LEU  MDY          49 LEU  HA          3.50    (#     47:20  Unique         2.29, 2.99 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#   36 ASN  HB2          36 ASN  HA          3.50    (#     48:20  Unique         2.74, 2.93 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HN           44 MET  HA          5.00    (#     49:20  Unique         3.82, 3.92 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 333, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HN           44 MET  HA          2.70    (#     51:20  Resolved postSane   )
 &rst
  ixpk= 51, nxpk= 20, iat= 701, 686, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   23 THR  HN           44 MET  HA          3.50    (#     52:20  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 52, nxpk= 20, iat= 360, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HD2          44 MET  HA          5.00    (#     53:20  Unique         5.03, 5.06 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 346, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HA           44 MET  HA          2.70    (#     56:20  Preassigned    2.25, 2.27 A)
 &rst
  ixpk= 56, nxpk= 20, iat= 352, 686, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   43 LYS  HA           44 MET  HA          5.00    (#     57:20  Unique         4.35, 4.38 A)
 &rst
  ixpk= 57, nxpk= 20, iat= 664, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HG2          44 MET  HA          3.50    (#     58:20  Unique         2.47, 2.54 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 691, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:59      44 MET  HA          5.00    (#     59:20  NMR Lookup Data     )
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 355, 354, 337, 338,
 &end
#
#    0 AMB  20-2:60      44 MET  HA          2.70    (#     60:20  Resolved postSane   )
 &rst
  ixpk= 60, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 688, 689, 688, 689,
 &end
#
#   44 MET  ME           44 MET  HA          5.00    (#     61:20  Resolved postSane   )
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:62      44 MET  HA          2.70    (#     62:20  Resolved postSane   )
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 366, 370,
 &end
#
#    0 AMB  20-2:63      44 MET  HA          3.50    (#     63:20  Resolved postSane   )
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 711, 712, 713, 707, 708, 709,
 &end
#
#   21 HIS  HN           21 HIS  HA          3.50    (#     64:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 64, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:65      21 HIS  HA          3.50    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 460, 309,
 &end
#
#   22 CYS  HN           21 HIS  HA          2.70    (#     66:20  Unique         2.10, 2.14 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 350, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   21 HIS  HD2          21 HIS  HA          6.00    (#     67:20  Unique         2.80, 2.88 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 346, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HA           21 HIS  HA          2.70    (#     68:20  Unique         2.10, 2.15 A)
 &rst
  ixpk= 68, nxpk= 20, iat= 450, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HA           21 HIS  HA          5.00    (#     70:20  Resolved postSane   )
 &rst
  ixpk= 70, nxpk= 20, iat= 352, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB+          21 HIS  HA          5.00    (#     71:20  Resolved postSane   )
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   21 HIS  HB+          21 HIS  HA          2.70    (#     72:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          21 HIS  HA          2.70    (#     73:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 337, 338,
 &end
#
#   44 MET  ME           21 HIS  HA          3.50    (#     75:20  Unique         3.32, 4.00 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:76      21 HIS  HA          5.00    (#     76:20  Resolved postSane   )
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 289, 290, 467, 292,
 &end
#
#   45 VAL  MG2          21 HIS  HA          5.00    (#     77:20  Unique         4.53, 5.26 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 711, 712, 713,
 &end
#
#    0 AMB  20-2:78       3 ASP  HA          2.70    (#     78:20  Resolved postSane   )
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=  40,  28,
 &end
#
#    4 ARG  HA            3 ASP  HA          5.00    (#     79:20  Unique         4.26, 4.46 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  42,  30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:80       3 ASP  HA          5.00    (#     80:20  NMR Lookup Data     )
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  50,  51,
 &end
#
#    0 AMB  20-2:81       3 ASP  HA          2.70    (#     81:20  NMR Lookup Data     )
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  32,  33,  32,  33,
 &end
#
#    0 AMB  20-2:82       3 ASP  HA          5.00    (#     82:20  NMR Lookup Data     )
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  15,  16,  88,
 &end
#
#    0 AMB  20-2:83       3 ASP  HA          5.00    (#     83:20  Resolved postSane   )
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  44,  45,  44,  45,
 &end
#
#    4 ARG  HG+           3 ASP  HA          5.00    (#     84:20  Unique         3.52, 3.91 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  47,  48,
 &end
#
#    6 VAL  MG1           3 ASP  HA          5.00    (#     85:20  Unique         4.11, 5.64 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  90,  91,  92,
 &end
#
#   19 ARG  HN           48 GLY  HA2         3.50    (#     96:20  Unique         3.37, 3.54 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 285, 765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LEU  HN           48 GLY  HA2         5.00    (#     97:20  Unique         2.01, 2.96 A)
 &rst
  ixpk= 97, nxpk= 20, iat= 770, 765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HN           48 GLY  HA2         5.00    (#     98:20  Unique         2.66, 2.79 A)
 &rst
  ixpk= 98, nxpk= 20, iat= 763, 765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:102     48 GLY  HA2         5.00    (#    102:20  NMR Lookup Data     )
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  68,  69, 743, 744,
 &end
#
#   46 LYS  HE-          48 GLY  HA2         6.00    (#    103:20  Unique         4.41, 5.64 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:104     48 GLY  HA2         3.50    (#    104:20  Resolved postSane   )
 &rst
  ixpk= 104, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 777, 774, 775, 774, 775, 800, 801,
 &end
#
#   18 THR  MG2          48 GLY  HA2         3.50    (#    105:20  Unique         2.82, 4.08 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 277, 278, 279,
 &end
#
#   49 LEU  MDY          48 GLY  HA2         5.00    (#    106:20  Unique         3.83, 5.36 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#   19 ARG  HN           48 GLY  HA1         5.00    (#    107:20  Unique         2.82, 3.29 A)
 &rst
  ixpk= 107, nxpk= 20, iat= 285, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LEU  HN           48 GLY  HA1         5.00    (#    108:20  Unique         2.70, 2.99 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HN           48 GLY  HA1         3.50    (#    109:20  Unique         2.71, 2.84 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 763, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:112     48 GLY  HA1         6.00    (#    112:20  Resolved postSane   )
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 743, 744,  68,  69,
 &end
#
#    0 AMB  20-2:114     48 GLY  HA1         5.00    (#    114:20  NMR Lookup Data     )
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 801, 800, 801, 777, 774, 775, 774, 775,
 &end
#
#   18 THR  MG2          48 GLY  HA1         3.50    (#    115:20  Unique         2.03, 2.68 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 277, 278, 279,
 &end
#
#   49 LEU  MDY          48 GLY  HA1         5.00    (#    116:20  Unique         4.48, 5.77 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#    0 AMB  20-2:136      0 AMB  20-1:136    5.00    (#    136:20  NMR Lookup Data     )
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  74,  78,  76,
 igr2=  51,  50,
 &end
#
#    4 ARG  HA            0 AMB  20-1:138    5.00    (#    138:20  Single Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:139      4 ARG  HD-         3.50    (#    139:20  Resolved postSane   )
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  44,  45,  44,  45,  44,  45,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:140      4 ARG  HD-         2.70    (#    140:20  Resolved postSane   )
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  48,  47,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:141      4 ARG  HD-         5.00    (#    141:20  Resolved postSane   )
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  94,  95,  96,  90,  91,  92,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:153     43 LYS  HE-         2.70    (#    153:20  Resolved postSane   )
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 667, 673, 672,
 igr2= 675, 676,
 &end
#
#    0 AMB  20-2:154     43 LYS  HE-         2.70    (#    154:20  Resolved postSane   )
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 370, 366, 670,
 igr2= 675, 676,
 &end
#
#    0 AMB  20-2:155      0 AMB  20-1:155    3.50    (#    155:20  NMR Lookup Data     )
 &rst
  ixpk= 155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 707, 708, 709, 711, 712, 713, 380, 381, 382,
 igr2= 676, 675,
 &end
#
#   13 LYS  HN            0 AMB  20-1:156    5.00    (#    156:20  Single Ambig)
 &rst
  ixpk= 156, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 197, 198,
 &end
#
#   11 GLU  HA            0 AMB  20-1:159    5.00    (#    159:20  Single Ambig)
 &rst
  ixpk= 159, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 198, 197,
 &end
#
#    0 AMB  20-2:160      0 AMB  20-1:160    3.50    (#    160:20  NMR Lookup Data     )
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 583, 186, 147,
 igr2= 594, 197,
 &end
#
#    0 AMB  20-2:161      0 AMB  20-1:161    5.00    (#    161:20  NMR Lookup Data     )
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 188, 164,
 igr2= 197, 198, 595,
 &end
#
#    0 AMB  20-2:162     38 LYS  HE-         3.50    (#    162:20  Resolved postSane   )
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 585, 586, 585, 586, 585, 586,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:163      0 AMB  20-1:163    2.70    (#    163:20  NMR Lookup Data     )
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 194, 195, 591, 592,
 igr2= 198, 197, 595, 594,
 &end
#
#    0 AMB  20-2:164      0 AMB  20-1:164    2.70    (#    164:20  Resolved postSane   )
 &rst
  ixpk= 164, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 595, 594,
 &end
#
#   13 LYS  HG+           0 AMB  20-1:165    3.50    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 191, 192,
 igr2= 197, 198,
 &end
#
#   25 CYS  HN           28 TYR  HB3         6.00    (#    166:20  Unique         4.39, 4.51 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 390, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HN           28 TYR  HB3         3.50    (#    167:20  Resolved postSane   )
 &rst
  ixpk= 167, nxpk= 20, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HN           28 TYR  HB3         6.00    (#    168:20  Resolved postSane   )
 &rst
  ixpk= 168, nxpk= 20, iat= 448, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HD2          28 TYR  HB3         3.50    (#    170:20  Unique         2.30, 2.35 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 444, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TYR  HA           28 TYR  HB3         3.50    (#    171:20  Unique         3.03, 3.05 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB+          28 TYR  HB3         3.50    (#    173:20  Unique         1.99, 2.37 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:174     28 TYR  HB3         2.70    (#    174:20  NMR Lookup Data     )
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 355, 354, 395, 394,
 &end
#
#   28 TYR  HN           28 TYR  HB2         3.50    (#    178:20  Resolved postSane   )
 &rst
  ixpk= 178, nxpk= 20, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:179      0 AMB  20-1:179    5.00    (#    179:20  NMR Lookup Data     )
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  64, 448,
 igr2=  32,  33, 431,
 &end
#
#    0 AMB  20-2:180     28 TYR  HB2         3.50    (#    180:20  Resolved postSane   )
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 435, 444,
 &end
#
#   22 CYS  HB+          28 TYR  HB2         5.00    (#    181:20  Unique         3.38, 3.67 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:182      3 ASP  HB-         6.00    (#    182:20  Resolved postSane   )
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  40,  28,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:183      3 ASP  HB+         5.00    (#    183:20  Resolved postSane   )
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  40,  28,
 igr2=  32,  33,
 &end
#
#    3 ASP  HA            3 ASP  HB+         3.50    (#    185:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  32,  33,
 &end
#
#    3 ASP  HA            3 ASP  HB-         3.50    (#    186:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 186, nxpk= 20, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:188      0 AMB  20-1:188    5.00    (#    188:20  Resolved postSane   )
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 817,  13,
 igr2= 730,  32,  33, 731,
 &end
#
#   27 ASP  HA           27 ASP  HB2         3.50    (#    189:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 ASP  HN           27 ASP  HB2         3.50    (#    190:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HN            7 TYR  HB2         3.50    (#    191:20  Resolved postSane   )
 &rst
  ixpk= 191, nxpk= 20, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HD1           7 TYR  HB2         5.00    (#    192:20  Resolved postSane   )
 &rst
  ixpk= 192, nxpk= 20, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:193      0 AMB  20-1:193    5.00    (#    193:20  NMR Lookup Data     )
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 121, 415,
 igr2= 105, 420,
 &end
#
#    7 TYR  HD1           7 TYR  HB3         5.00    (#    194:20  Resolved postSane   )
 &rst
  ixpk= 194, nxpk= 20, iat= 108, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 TYR  HA            7 TYR  HB2         3.50    (#    195:20  Unique         2.96, 3.03 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  HA            7 TYR  HB2         6.00    (#    196:20  Unique         5.63, 5.98 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 242, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA            7 TYR  HB3         3.50    (#    197:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 197, nxpk= 20, iat= 102, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:199      0 AMB  20-1:199    5.00    (#    199:20  NMR Lookup Data     )
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 324,  74,  78,
 igr2= 731,  32,  33, 730,
 &end
#
#    0 AMB  20-2:200      0 AMB  20-1:200    5.00    (#    200:20  NMR Lookup Data     )
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 326, 236,
 igr2=  32,  33, 731,  32,  33,
 &end
#
#   20 TRP  HE1           0 AMB  20-1:201    5.00    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 731, 730,
 &end
#
#   48 GLY  HA1           0 AMB  20-1:202    5.00    (#    202:20  Resolved postSane   )
 &rst
  ixpk= 202, nxpk= 20, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 730, 731,  32,  33,  32,  33,
 &end
#
#    0 AMB  20-2:203      0 AMB  20-1:203    2.70    (#    203:20  Resolved postSane   )
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 277, 278, 279, 728, 727,
 igr2= 730, 731,
 &end
#
#    6 VAL  MG1           3 ASP  HB+         3.50    (#    204:20  Unique         2.19, 3.44 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  90,  91,  92,
 igr2=  32,  33,
 &end
#
#   46 LYS  HG-           0 AMB  20-1:205    3.50    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 724, 725,
 igr2= 730, 731,
 &end
#
#   46 LYS  HG+           0 AMB  20-1:206    5.00    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 725,
 igr2= 731, 730,
 &end
#
#   46 LYS  HB3           0 AMB  20-1:207    6.00    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 731, 730,
 &end
#
#    6 VAL  MG1           3 ASP  HB-         5.00    (#    208:20  Unique         2.19, 3.44 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  90,  91,  92,
 igr2=  32,  33,
 &end
#
#    6 VAL  HB            3 ASP  HB-         3.50    (#    210:20  Unique         2.05, 2.90 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:212     27 ASP  HB2         5.00    (#    212:20  NMR Lookup Data     )
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#    0 AMB  20-2:213     27 ASP  HB2         5.00    (#    213:20  Resolved postSane   )
 &rst
  ixpk= 213, nxpk= 20, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#   26 GLU  HA            0 AMB  20-1:214    5.00    (#    214:20  Resolved postSane   )
 &rst
  ixpk= 214, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 420, 105,
 &end
#
#   16 VAL  MG2           7 TYR  HB2         3.50    (#    216:20  Unique         2.56, 3.42 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#   16 VAL  MG2           7 TYR  HB3         3.50    (#    217:20  Unique         4.06, 4.57 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#    6 VAL  HB            3 ASP  HB+         5.00    (#    228:20  Unique         2.05, 2.90 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  32,  33,
 &end
#
#   10 ASN  HA           10 ASN  HB+         3.50    (#    232:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 232, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 149, 150,
 &end
#
#   10 ASN  HN           10 ASN  HB+         3.50    (#    237:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 149, 150,
 &end
#
#   11 GLU  HN           10 ASN  HB+         5.00    (#    238:20  Unique         3.06, 3.64 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:239      0 AMB  20-1:239    3.50    (#    239:20  NMR Lookup Data     )
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 448, 154, 155,
 igr2= 149, 150, 149, 150,
 &end
#
#   10 ASN  HD2-         10 ASN  HB+         3.50    (#    240:20  Unique         2.14, 3.34 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 154, 155,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:241     10 ASN  HB+         6.00    (#    241:20  Resolved postSane   )
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 435, 444,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:242     10 ASN  HB+         5.00    (#    242:20  Resolved postSane   )
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 437, 442,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:243     10 ASN  HB+         5.00    (#    243:20  Resolved postSane   )
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 473, 474, 475, 495, 496, 497,
 igr2= 149, 150,
 &end
#
#   34 CYS  HN            0 AMB  20-1:245    3.50    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:246      0 AMB  20-1:246    5.00    (#    246:20  Resolved postSane   )
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 532, 489,
 igr2= 557, 512, 513, 512, 513, 512, 513,
 &end
#
#   33 ASN  HN            0 AMB  20-1:247    2.70    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 512, 513, 512, 513,
 &end
#
#   36 ASN  HN           36 ASN  HB2         3.50    (#    248:20  Unique         2.11, 2.16 A)
 &rst
  ixpk= 248, nxpk= 20, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HD2-          0 AMB  20-1:249    3.50    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 517, 518,
 igr2= 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:250      0 AMB  20-1:250    5.00    (#    250:20  NMR Lookup Data     )
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 524, 273, 491,
 igr2= 512, 513, 512, 513,  68,  69, 557,
 &end
#
#    0 AMB  20-2:251      0 AMB  20-1:251    6.00    (#    251:20  NMR Lookup Data     )
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 766, 484,  42,
 igr2=  68,  69, 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:253      0 AMB  20-1:253    5.00    (#    253:20  NMR Lookup Data     )
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 260, 261, 493,
 igr2=  68,  69, 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:254      5 PHE  HB-         5.00    (#    254:20  Resolved postSane   )
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 774, 775, 774, 775, 777,
 igr2=  68,  69,
 &end
#
#   32 ILE  MG2           0 AMB  20-1:255    3.50    (#    255:20  Single Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 495, 496, 497,
 igr2= 557, 512, 513, 512, 513,
 &end
#
#   35 TYR  HN           36 ASN  HB3         6.00    (#    256:20  Unique         5.61, 5.94 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 532, 558, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HN           36 ASN  HB3         3.50    (#    257:20  Unique         3.08, 3.34 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HD2-         36 ASN  HB3         3.50    (#    258:20  Unique         3.43, 3.83 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 562, 563,
 &end
#
#   33 ASN  HA           36 ASN  HB3         3.50    (#    259:20  Unique         3.09, 3.46 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 510, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HA           36 ASN  HB3         3.50    (#    260:20  Resolved postSane   )
 &rst
  ixpk= 260, nxpk= 20, iat= 555, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 THR  MG2          36 ASN  HB3         3.50    (#    263:20  Unique         3.05, 4.34 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 573, 574, 575,
 &end
#
#   32 ILE  MG2          36 ASN  HB3         6.00    (#    264:20  Unique         4.80, 6.00 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 495, 496, 497,
 &end
#
#   36 ASN  HA           36 ASN  HB2         3.50    (#    265:20  Resolved postSane   )
 &rst
  ixpk= 265, nxpk= 20, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 THR  HN            8 THR  HB          5.00    (#    266:20  Unique         3.43, 3.50 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HN            8 THR  HB          3.50    (#    267:20  Unique         3.28, 3.38 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 135, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            8 THR  HB          6.00    (#    268:20  Unique         4.65, 4.88 A)
 &rst
  ixpk= 268, nxpk= 20, iat= 184, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 HIS  HA            8 THR  HB          5.00    (#    269:20  Unique         4.29, 4.77 A)
 &rst
  ixpk= 269, nxpk= 20, iat= 225, 125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:270      8 THR  HB          5.00    (#    270:20  Resolved postSane   )
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 186, 147,
 &end
#
#    8 THR  MG2           8 THR  HB          2.70    (#    271:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 127, 128, 129,
 &end
#
#   38 LYS  HN           37 THR  HB          5.00    (#    282:20  Unique         3.04, 3.60 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 581, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  HN           37 THR  HB          5.00    (#    283:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 LYS  HG-          37 THR  HB          5.00    (#    286:20  Unique         3.88, 4.02 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          37 THR  HB          2.70    (#    287:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 573, 574, 575,
 &end
#
#    0 AMB  20-2:288     37 THR  HB          6.00    (#    288:20  Resolved postSane   )
 &rst
  ixpk= 288, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 594, 595,
 &end
#
#    0 AMB  20-2:289     37 THR  HB          6.00    (#    289:20  Resolved postSane   )
 &rst
  ixpk= 289, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 585, 586,
 &end
#
#   19 ARG  HN           18 THR  HB          5.00    (#    294:20  Unique         3.79, 4.03 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 285, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 THR  HN           18 THR  HB          3.50    (#    295:20  Resolved postSane   )
 &rst
  ixpk= 295, nxpk= 20, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  HG1          18 THR  HB          5.00    (#    297:20  Resolved postSane   )
 &rst
  ixpk= 297, nxpk= 20, iat= 264, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 THR  MG2          18 THR  HB          2.70    (#    298:20  Resolved postSane   )
 &rst
  ixpk= 298, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 277, 278, 279,
 &end
#
#   32 ILE  HG1-         18 THR  HB          5.00    (#    299:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1+         18 THR  HB          5.00    (#    300:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   41 THR  MG2          41 THR  HB          2.70    (#    301:20  Unique         2.33, 2.65 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 637, 638, 639,
 &end
#
#    0 AMB  20-2:303     41 THR  HB          5.00    (#    303:20  NMR Lookup Data     )
 &rst
  ixpk= 303, nxpk= 20, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   43 LYS  HN           42 HIS  HB2         5.00    (#    304:20  Unique         3.41, 3.51 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 662, 649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HD2          42 HIS  HB2         3.50    (#    305:20  Unique         2.59, 2.72 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 627, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HN           42 HIS  HB2         3.50    (#    306:20  Unique         2.35, 2.42 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  HB           42 HIS  HB2         5.00    (#    309:20  Unique         3.94, 4.08 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 378, 649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  MG1          42 HIS  HB2         3.50    (#    310:20  Unique         2.17, 2.77 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          42 HIS  HB2         6.00    (#    311:20  Unique         3.42, 4.25 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 384, 385, 386,
 &end
#
#   24 VAL  HN           42 HIS  HB3         5.00    (#    312:20  Unique         4.49, 4.54 A)
 &rst
  ixpk= 312, nxpk= 20, iat= 374, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           42 HIS  HB3         3.50    (#    313:20  Unique         2.23, 2.38 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 662, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HD2          42 HIS  HB3         5.00    (#    315:20  Unique         3.10, 3.18 A)
 &rst
  ixpk= 315, nxpk= 20, iat= 658, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 HIS  HN           42 HIS  HB3         3.50    (#    316:20  Unique         3.53, 3.56 A)
 &rst
  ixpk= 316, nxpk= 20, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LYS  HB2          42 HIS  HB3         5.00    (#    319:20  Unique         4.67, 4.90 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 666, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HB3          42 HIS  HB3         6.00    (#    320:20  Unique         4.50, 4.64 A)
 &rst
  ixpk= 320, nxpk= 20, iat= 667, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HB           42 HIS  HB3         3.50    (#    321:20  Unique         2.92, 2.97 A)
 &rst
  ixpk= 321, nxpk= 20, iat= 378, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  MG1          42 HIS  HB3         3.50    (#    322:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          42 HIS  HB3         5.00    (#    323:20  Unique         2.04, 2.85 A)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 384, 385, 386,
 &end
#
#    0 AMB  20-2:324     44 MET  HG2         5.00    (#    324:20  NMR Lookup Data     )
 &rst
  ixpk= 324, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 701, 684,
 &end
#
#   23 THR  HN           44 MET  HG2         5.00    (#    325:20  Resolved postSane   )
 &rst
  ixpk= 325, nxpk= 20, iat= 360, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HD2          44 MET  HG2         5.00    (#    326:20  Unique         4.60, 4.80 A)
 &rst
  ixpk= 326, nxpk= 20, iat= 627, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:327     44 MET  HG2         5.00    (#    327:20  Resolved postSane   )
 &rst
  ixpk= 327, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   44 MET  HA           44 MET  HG2         3.50    (#    328:20  Unique         2.47, 2.54 A)
 &rst
  ixpk= 328, nxpk= 20, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 TRP  HA           44 MET  HG2         5.00    (#    329:20  Unique         5.03, 5.06 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 311, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HA           44 MET  HG2         3.50    (#    330:20  Unique         2.03, 2.07 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 352, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:331     44 MET  HG2         5.00    (#    331:20  Resolved postSane   )
 &rst
  ixpk= 331, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 355, 354, 314,
 &end
#
#   44 MET  ME           44 MET  HG2         3.50    (#    333:20  Unique         2.23, 2.73 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:334     44 MET  HG2         5.00    (#    334:20  NMR Lookup Data     )
 &rst
  ixpk= 334, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 366, 370, 467,
 &end
#
#    0 AMB  20-2:335     44 MET  HG2         6.00    (#    335:20  Resolved postSane   )
 &rst
  ixpk= 335, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 721, 378,
 &end
#
#   20 TRP  HE1          32 ILE  HA          5.00    (#    338:20  Unique         2.10, 2.22 A)
 &rst
  ixpk= 338, nxpk= 20, iat= 319, 491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:339     32 ILE  HA          3.50    (#    339:20  Resolved postSane   )
 &rst
  ixpk= 339, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 532,
 &end
#
#   33 ASN  HN           32 ILE  HA          5.00    (#    340:20  Unique         3.55, 3.60 A)
 &rst
  ixpk= 340, nxpk= 20, iat= 508, 491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 ASN  HN           32 ILE  HA          6.00    (#    341:20  Unique         3.71, 3.80 A)
 &rst
  ixpk= 341, nxpk= 20, iat= 553, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:342     32 ILE  HA          6.00    (#    342:20  Resolved postSane   )
 &rst
  ixpk= 342, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 562, 563, 322,
 &end
#
#   20 TRP  HD1          32 ILE  HA          3.50    (#    344:20  Unique         2.09, 2.13 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 317, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:346     32 ILE  HA          5.00    (#    346:20  NMR Lookup Data     )
 &rst
  ixpk= 346, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 287, 481,
 &end
#
#    0 AMB  20-2:347     32 ILE  HA          5.00    (#    347:20  NMR Lookup Data     )
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 557, 483, 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:348     32 ILE  HA          2.70    (#    348:20  NMR Lookup Data     )
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 537, 536,
 &end
#
#   32 ILE  HB           32 ILE  HA          3.50    (#    349:20  Unique         2.93, 2.96 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HG1+         32 ILE  HA          3.50    (#    350:20  Unique         3.35, 3.66 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         32 ILE  HA          3.50    (#    351:20  Unique         3.35, 3.66 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          32 ILE  HA          2.70    (#    352:20  Unique         2.39, 3.04 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 495, 496, 497,
 &end
#
#   32 ILE  MD1          32 ILE  HA          5.00    (#    353:20  Unique         2.47, 3.38 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 502, 503, 504,
 &end
#
#   34 CYS  HN           34 CYS  HA          3.50    (#    354:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           34 CYS  HA          5.00    (#    355:20  Unique         3.63, 3.66 A)
 &rst
  ixpk= 355, nxpk= 20, iat= 532, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 LYS  HN           34 CYS  HA          5.00    (#    356:20  Unique         3.17, 3.57 A)
 &rst
  ixpk= 356, nxpk= 20, iat= 581, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:357     34 CYS  HA          6.00    (#    357:20  NMR Lookup Data     )
 &rst
  ixpk= 357, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 553, 603,
 &end
#
#   37 THR  HN           34 CYS  HA          5.00    (#    358:20  Unique         3.05, 3.23 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 567, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          34 CYS  HA          3.50    (#    360:20  Unique         2.97, 2.99 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB3          34 CYS  HA          2.70    (#    361:20  Unique         2.53, 2.55 A)
 &rst
  ixpk= 361, nxpk= 20, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:362     34 CYS  HA          6.00    (#    362:20  NMR Lookup Data     )
 &rst
  ixpk= 362, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 163, 167, 166,
 &end
#
#   11 GLU  HB3          34 CYS  HA          5.00    (#    363:20  Unique         5.97, 6.04 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 164, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:364     34 CYS  HA          5.00    (#    364:20  Resolved postSane   )
 &rst
  ixpk= 364, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 585, 586, 585, 586, 465,
 &end
#
#    0 AMB  20-2:365     34 CYS  HA          5.00    (#    365:20  NMR Lookup Data     )
 &rst
  ixpk= 365, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:366     34 CYS  HA          5.00    (#    366:20  Resolved postSane   )
 &rst
  ixpk= 366, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          34 CYS  HA          5.00    (#    367:20  Unique         4.04, 4.83 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   37 THR  HB           34 CYS  HA          5.00    (#    368:20  Resolved postSane   )
 &rst
  ixpk= 368, nxpk= 20, iat= 571, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           31 CYS  HB2         3.50    (#    369:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HN           31 CYS  HB2         3.50    (#    370:20  Unique         3.89, 3.94 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 489, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HN           31 CYS  HB2         5.00    (#    371:20  Unique         4.72, 5.00 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 508, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           31 CYS  HB2         3.50    (#    372:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HB2          31 CYS  HB2         5.00    (#    374:20  Unique         2.09, 2.13 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 140, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HB           31 CYS  HB2         5.00    (#    375:20  Unique         6.09, 6.18 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 493, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:376     31 CYS  HB2         6.00    (#    376:20  NMR Lookup Data     )
 &rst
  ixpk= 376, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 289, 290, 289, 290, 499, 500,
 &end
#
#   30 LEU  MDY          31 CYS  HB2         6.00    (#    377:20  Unique         5.84, 6.81 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   16 VAL  MG1          31 CYS  HB2         3.50    (#    378:20  Unique         2.10, 2.61 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          31 CYS  HB2         5.00    (#    379:20  Unique         2.25, 3.35 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   24 VAL  MG2          24 VAL  HA          2.70    (#    380:20  Unique         2.35, 3.10 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 384, 385, 386,
 &end
#
#   24 VAL  MG1          24 VAL  HA          3.50    (#    381:20  Unique         3.63, 3.95 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   31 CYS  HN            9 CYS  HB3         5.00    (#    383:20  Unique         3.53, 3.58 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 479, 139, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:384      9 CYS  HB3         2.70    (#    384:20  Resolved postSane   )
 &rst
  ixpk= 384, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 135, 174,
 &end
#
#   14 HIS  HN            9 CYS  HB3         3.50    (#    385:20  Unique         2.87, 3.30 A)
 &rst
  ixpk= 385, nxpk= 20, iat= 206, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            9 CYS  HB3         3.50    (#    386:20  Unique         3.48, 3.52 A)
 &rst
  ixpk= 386, nxpk= 20, iat= 184, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:387      9 CYS  HB3         5.00    (#    387:20  Resolved postSane   )
 &rst
  ixpk= 387, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 123, 481,
 &end
#
#    9 CYS  HA            9 CYS  HB3         3.50    (#    388:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  MG1           9 CYS  HB3         3.50    (#    390:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2           9 CYS  HB3         6.00    (#    391:20  Unique         3.89, 4.69 A)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   24 VAL  HN           23 THR  HA          3.50    (#    397:20  Unique         3.29, 3.31 A)
 &rst
  ixpk= 397, nxpk= 20, iat= 374, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           23 THR  HA          3.50    (#    398:20  Unique         2.95, 2.96 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HD2          23 THR  HA          5.00    (#    399:20  Unique         4.01, 4.06 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 346, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           23 THR  HA          5.00    (#    400:20  Unique         4.87, 4.90 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 686, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:402     23 THR  HA          2.70    (#    402:20  NMR Lookup Data     )
 &rst
  ixpk= 402, nxpk= 20, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 366, 370,
 &end
#
#    0 AMB  20-2:403     23 THR  HA          3.50    (#    403:20 edited  Resolved postSane   )
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 711, 712, 713, 380, 381, 382, 707, 708, 709,
 &end
#
#   38 LYS  HN           37 THR  HA          3.50    (#    404:20  Unique         3.47, 3.50 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 581, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:405     37 THR  HA          5.00    (#    405:20  Resolved postSane   )
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 603, 553,
 &end
#
#   37 THR  HN           37 THR  HA          3.50    (#    406:20  Unique         2.83, 2.88 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:407     37 THR  HA          5.00    (#    407:20  Resolved postSane   )
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 594, 557, 595,
 &end
#
#   36 ASN  HB3          37 THR  HA          5.00    (#    408:20  Unique         3.90, 4.09 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 558, 569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HN           41 THR  HA          5.00    (#    413:20  Resolved postSane   )
 &rst
  ixpk= 413, nxpk= 20, iat= 614, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 THR  HN           41 THR  HA          5.00    (#    414:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 414, nxpk= 20, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:415     41 THR  HA          3.50    (#    415:20  NMR Lookup Data     )
 &rst
  ixpk= 415, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 645,
 &end
#
#   41 THR  MG2          41 THR  HA          3.50    (#    417:20  Unique         2.33, 3.22 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 637, 638, 639,
 &end
#
#   40 HIS  HN            0 AMB  20-1:418    5.00    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 607, 608, 607, 608,
 &end
#
#   39 SER  HN            0 AMB  20-1:419    6.00    (#    419:20  Resolved postSane   )
 &rst
  ixpk= 419, nxpk= 20, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 607, 608, 607, 608, 607, 608,
 &end
#
#    0 AMB  20-2:420      0 AMB  20-1:420    5.00    (#    420:20  NMR Lookup Data     )
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 583, 569, 555,
 igr2= 607, 608, 607, 608, 607, 608, 607, 608,
 &end
#
#   39 SER  HA            0 AMB  20-1:421    2.70    (#    421:20  Single Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 607, 608, 607, 608,
 &end
#
#    0 AMB  20-2:423     34 CYS  HB2         2.70    (#    423:20  Resolved postSane   )
 &rst
  ixpk= 423, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 522, 479,
 &end
#
#   35 TYR  HN           34 CYS  HB2         5.00    (#    424:20  Unique         2.76, 2.82 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 532, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           34 CYS  HB2         6.00    (#    426:20  Unique         3.52, 3.62 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 462, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:428     34 CYS  HB2         5.00    (#    428:20  NMR Lookup Data     )
 &rst
  ixpk= 428, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 163, 167, 166,
 &end
#
#   30 LEU  HB3          34 CYS  HB2         5.00    (#    429:20  Unique         2.84, 2.94 A)
 &rst
  ixpk= 429, nxpk= 20, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:430     34 CYS  HB2         6.00    (#    430:20  NMR Lookup Data     )
 &rst
  ixpk= 430, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 589, 588, 467,
 &end
#
#   30 LEU  MDY          34 CYS  HB2         5.00    (#    431:20  Unique         2.59, 3.78 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          34 CYS  HB2         6.00    (#    432:20  Resolved postSane   )
 &rst
  ixpk= 432, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   15 HIS  HN            0 AMB  20-1:433    5.00    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 227, 228, 227, 228,
 &end
#
#   15 HIS  HA            0 AMB  20-1:436    3.50    (#    436:20  Single Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  20-2:437      0 AMB  20-1:437    5.00    (#    437:20  NMR Lookup Data     )
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  90,  91,  92,  94,  95,  96,
 igr2= 227, 228, 227, 228, 227, 228,
 &end
#
#   30 LEU  MDX           0 AMB  20-1:438    3.50    (#    438:20  Resolved postSane   )
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211,
 &end
#
#   44 MET  ME            0 AMB  20-1:439    5.00    (#    439:20  Single Ambig)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 695, 696, 697,
 igr2= 618, 619, 618, 619,
 &end
#
#    0 AMB  20-2:441      0 AMB  20-1:441    5.00    (#    441:20  NMR Lookup Data     )
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 208, 616,
 igr2= 210, 211, 210, 211, 618, 619, 618, 619,
 &end
#
#    0 AMB  20-2:442      0 AMB  20-1:442    6.00    (#    442:20  NMR Lookup Data     )
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 542, 645,
 igr2= 618, 619, 618, 619, 618, 619,
 &end
#
#   28 TYR  HE2           0 AMB  20-1:443    5.00    (#    443:20  Single Ambig)
 &rst
  ixpk= 443, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 618, 619, 618, 619,
 &end
#
#    0 AMB  20-2:444      0 AMB  20-1:444    6.00    (#    444:20  Resolved postSane   )
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 627, 219,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211,
 &end
#
#   40 HIS  HN            0 AMB  20-1:445    5.00    (#    445:20  Resolved postSane   )
 &rst
  ixpk= 445, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211,
 &end
#
#   47 TRP  HN           47 TRP  HB+         3.50    (#    446:20  Unique         2.29, 2.98 A)
 &rst
  ixpk= 446, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#   19 ARG  HN           47 TRP  HB+         6.00    (#    447:20  Unique         3.38, 4.13 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 743, 744,
 &end
#
#   47 TRP  HE3          47 TRP  HB+         5.00    (#    448:20  Unique         3.32, 3.89 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   47 TRP  HA           47 TRP  HB+         3.50    (#    449:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 449, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#   19 ARG  HG-          47 TRP  HB+         5.00    (#    451:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#    0 AMB  20-2:452     31 CYS  HB3         3.50    (#    452:20  NMR Lookup Data     )
 &rst
  ixpk= 452, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 479, 522,
 &end
#
#   32 ILE  HN           31 CYS  HB3         5.00    (#    453:20  Unique         2.90, 2.98 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 489, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 ASN  HN           31 CYS  HB3         6.00    (#    454:20  Unique         3.06, 3.41 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 508, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 CYS  HA           31 CYS  HB3         3.50    (#    455:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 455, nxpk= 20, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HB3          31 CYS  HB3         5.00    (#    457:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 139, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HB           31 CYS  HB3         5.00    (#    458:20  Unique         2.72, 3.01 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 244, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HB           31 CYS  HB3         6.00    (#    459:20  Unique         4.50, 4.65 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 493, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  MG1          31 CYS  HB3         3.50    (#    460:20  Unique         2.80, 3.77 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          31 CYS  HB3         5.00    (#    461:20  Unique         3.67, 4.63 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:462      0 AMB  20-1:462    3.50    (#    462:20  Double Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 749, 333,
 igr2= 337, 338, 337, 338,
 &end
#
#   21 HIS  HA           21 HIS  HB+         5.00    (#    463:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 463, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 337, 338,
 &end
#
#   21 HIS  HD2          21 HIS  HB+         5.00    (#    464:20  Unique         3.54, 3.70 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 337, 338,
 &end
#
#   47 TRP  HD1          21 HIS  HB+         6.00    (#    465:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 337, 338,
 &end
#
#   47 TRP  HN           47 TRP  HB-         3.50    (#    467:20  Unique         2.29, 2.98 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#   19 ARG  HN           47 TRP  HB-         5.00    (#    468:20  Unique         3.38, 4.13 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   47 TRP  HE3          47 TRP  HB-         6.00    (#    469:20  Unique         3.32, 3.89 A)
 &rst
  ixpk= 469, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 743, 744,
 &end
#
#   47 TRP  HD1          47 TRP  HB-         5.00    (#    470:20  Resolved postSane   )
 &rst
  ixpk= 470, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   47 TRP  HA           47 TRP  HB-         3.50    (#    471:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#    0 AMB  20-2:472     47 TRP  HB-         5.00    (#    472:20  NMR Lookup Data     )
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 719, 766,
 igr2= 743, 744,
 &end
#
#   19 ARG  HG-          47 TRP  HB-         3.50    (#    475:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#   19 ARG  HG+          47 TRP  HB-         5.00    (#    476:20  Unique         2.90, 3.91 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#   31 CYS  HN            9 CYS  HB2         3.50    (#    478:20  Unique         2.11, 2.18 A)
 &rst
  ixpk= 478, nxpk= 20, iat= 479, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HN            9 CYS  HB2         3.50    (#    479:20  Resolved postSane   )
 &rst
  ixpk= 479, nxpk= 20, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 HIS  HN            9 CYS  HB2         5.00    (#    480:20  Unique         4.53, 4.97 A)
 &rst
  ixpk= 480, nxpk= 20, iat= 206, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HN            9 CYS  HB2         5.00    (#    481:20  Unique         5.05, 5.07 A)
 &rst
  ixpk= 481, nxpk= 20, iat= 184, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:482      0 AMB  20-1:482    5.00    (#    482:20  NMR Lookup Data     )
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 542,
 igr2= 140, 313,
 &end
#
#    0 AMB  20-2:483      0 AMB  20-1:483    5.00    (#    483:20  NMR Lookup Data     )
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 481, 287, 123,
 igr2= 140, 313,
 &end
#
#    9 CYS  HA            9 CYS  HB2         3.50    (#    484:20  Unique         2.36, 2.37 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 137, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2           9 CYS  HB2         5.00    (#    485:20  Unique         2.09, 2.13 A)
 &rst
  ixpk= 485, nxpk= 20, iat= 484, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:487     20 TRP  HB2         5.00    (#    487:20  NMR Lookup Data     )
 &rst
  ixpk= 487, nxpk= 20, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 688, 689, 688, 689, 163,
 &end
#
#   44 MET  ME           20 TRP  HB2         6.00    (#    488:20  Unique         2.34, 2.89 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 695, 696, 697,
 &end
#
#   16 VAL  MG2           9 CYS  HB2         5.00    (#    489:20  Unique         2.63, 3.70 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   16 VAL  MG1           9 CYS  HB2         3.50    (#    490:20  Unique         2.00, 3.01 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   30 LEU  HB2          20 TRP  HB2         5.00    (#    491:20  Unique         2.36, 2.48 A)
 &rst
  ixpk= 491, nxpk= 20, iat= 464, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:492     21 HIS  HB-         3.50    (#    492:20  NMR Lookup Data     )
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 749, 333,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:493      0 AMB  20-1:493    6.00    (#    493:20  Resolved postSane   )
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 350, 159, 342,
 igr2= 337, 338, 179, 178,
 &end
#
#   12 CYS  HN           12 CYS  HB-         3.50    (#    494:20  Unique         2.58, 3.19 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 179, 178,
 &end
#
#   14 HIS  HD2          12 CYS  HB-         6.00    (#    495:20  Unique         2.26, 3.67 A)
 &rst
  ixpk= 495, nxpk= 20, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 178,
 &end
#
#   47 TRP  HD1          21 HIS  HB-         6.00    (#    496:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 496, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 337, 338,
 &end
#
#   21 HIS  HD2          21 HIS  HB-         5.00    (#    497:20  Unique         3.54, 3.70 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 337, 338,
 &end
#
#   21 HIS  HA           21 HIS  HB-         3.50    (#    498:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 498, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   19 ARG  HG+          21 HIS  HB-         5.00    (#    501:20  Unique         2.80, 3.53 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 337, 338,
 &end
#
#   45 VAL  MG2          21 HIS  HB-         5.00    (#    502:20  Unique         2.08, 3.83 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 711, 712, 713,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:504     20 TRP  HB3         3.50    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 309, 460,
 &end
#
#    0 AMB  20-2:506     20 TRP  HB3         5.00    (#    506:20  Single Ambig)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 317, 540, 549,
 &end
#
#    0 AMB  20-2:507     20 TRP  HB3         6.00    (#    507:20  Resolved postSane   )
 &rst
  ixpk= 507, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 547, 542,
 &end
#
#    0 AMB  20-2:508     20 TRP  HB3         3.50    (#    508:20  Resolved postSane   )
 &rst
  ixpk= 508, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 688, 689, 688, 689,
 &end
#
#   44 MET  ME           20 TRP  HB3         5.00    (#    509:20  Unique         1.98, 2.84 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#   30 LEU  HB2          20 TRP  HB3         5.00    (#    510:20  Resolved postSane   )
 &rst
  ixpk= 510, nxpk= 20, iat= 464, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:511     20 TRP  HB3         6.00    (#    511:20  Resolved postSane   )
 &rst
  ixpk= 511, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 721, 469, 470, 471,
 &end
#
#   25 CYS  HN           25 CYS  HB+         3.50    (#    512:20  Unique         1.91, 2.45 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#    0 AMB  20-2:513      0 AMB  20-1:513    3.50    (#    513:20  NMR Lookup Data     )
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 427, 400,
 igr2= 395, 394, 395, 394,
 &end
#
#    0 AMB  20-2:514     25 CYS  HB+         5.00    (#    514:20  Resolved postSane   )
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 435,
 igr2= 395, 394,
 &end
#
#   25 CYS  HA           25 CYS  HB+         3.50    (#    515:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#    0 AMB  20-2:516      0 AMB  20-1:516    5.00    (#    516:20  Resolved postSane   )
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 404, 405, 404, 405,
 igr2= 395, 394, 395, 394,
 &end
#
#   24 VAL  HB           25 CYS  HB+         6.00    (#    517:20  Unique         4.53, 5.27 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 395, 394,
 &end
#
#    0 AMB  20-2:519     34 CYS  HB3         3.50    (#    519:20  Resolved postSane   )
 &rst
  ixpk= 519, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 479,
 &end
#
#   35 TYR  HN           34 CYS  HB3         5.00    (#    520:20  Unique         3.18, 3.31 A)
 &rst
  ixpk= 520, nxpk= 20, iat= 532, 526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           34 CYS  HB3         6.00    (#    521:20  Unique         3.97, 4.07 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 462, 526, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:523     34 CYS  HB3         3.50    (#    523:20  NMR Lookup Data     )
 &rst
  ixpk= 523, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 163, 167,
 &end
#
#   11 GLU  HB3          34 CYS  HB3         3.50    (#    524:20  Unique         4.23, 4.36 A)
 &rst
  ixpk= 524, nxpk= 20, iat= 164, 526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HB3          34 CYS  HB3         3.50    (#    525:20  Resolved postSane   )
 &rst
  ixpk= 525, nxpk= 20, iat= 465, 526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:526     34 CYS  HB3         5.00    (#    526:20  NMR Lookup Data     )
 &rst
  ixpk= 526, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 591, 464, 592,
 &end
#
#    0 AMB  20-2:527     34 CYS  HB3         5.00    (#    527:20  Resolved postSane   )
 &rst
  ixpk= 527, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 589, 588,
 &end
#
#   30 LEU  MDY          34 CYS  HB3         3.50    (#    528:20  Unique         2.14, 2.97 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          34 CYS  HB3         5.00    (#    529:20  Unique         2.81, 3.97 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   24 VAL  HN           22 CYS  HA          5.00    (#    534:20  Unique         3.55, 3.60 A)
 &rst
  ixpk= 534, nxpk= 20, iat= 374, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HN           22 CYS  HA          3.50    (#    537:20  Unique         2.82, 2.85 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 350, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           22 CYS  HA          2.70    (#    538:20  Unique         2.07, 2.09 A)
 &rst
  ixpk= 538, nxpk= 20, iat= 360, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:539     22 CYS  HA          6.00    (#    539:20  NMR Lookup Data     )
 &rst
  ixpk= 539, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 346, 444,
 &end
#
#   44 MET  HA           22 CYS  HA          2.70    (#    540:20  Preassigned    2.25, 2.27 A)
 &rst
  ixpk= 540, nxpk= 20, iat= 686, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:541     22 CYS  HA          2.70    (#    541:20  Resolved postSane   )
 &rst
  ixpk= 541, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 691, 355, 354,
 &end
#
#   22 CYS  HB-          22 CYS  HA          3.50    (#    542:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:543     22 CYS  HA          5.00    (#    543:20  Resolved postSane   )
 &rst
  ixpk= 543, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 395, 394, 432,
 &end
#
#   44 MET  HG1          22 CYS  HA          2.70    (#    544:20  Unique         2.40, 2.44 A)
 &rst
  ixpk= 544, nxpk= 20, iat= 692, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  ME           22 CYS  HA          3.50    (#    545:20  Unique         3.77, 4.47 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:546     22 CYS  HA          3.50    (#    546:20  NMR Lookup Data     )
 &rst
  ixpk= 546, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 366, 370,
 &end
#
#   24 VAL  MG1          22 CYS  HA          5.00    (#    547:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   19 ARG  HN           18 THR  HA          5.00    (#    548:20  Unique         2.05, 2.20 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 285, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 THR  MG2          18 THR  HA          5.00    (#    549:20  Unique         2.50, 3.19 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 277, 278, 279,
 &end
#
#   24 VAL  HN           25 CYS  HA          6.00    (#    550:20  Unique         5.34, 5.36 A)
 &rst
  ixpk= 550, nxpk= 20, iat= 374, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 CYS  HN           25 CYS  HA          3.50    (#    551:20  Unique         2.80, 2.82 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLU  HN           25 CYS  HA          2.70    (#    552:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 400, 392, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HB+          25 CYS  HA          5.00    (#    554:20  Unique         4.05, 4.86 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB+          25 CYS  HA          3.50    (#    555:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   25 CYS  HB-          25 CYS  HA          2.70    (#    556:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 395, 394,
 &end
#
#    0 AMB  20-2:557     25 CYS  HA          5.00    (#    557:20  Resolved postSane   )
 &rst
  ixpk= 557, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 408, 407,
 &end
#
#    0 AMB  20-2:558     25 CYS  HA          5.00    (#    558:20  Resolved postSane   )
 &rst
  ixpk= 558, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#   24 VAL  HB           25 CYS  HA          6.00    (#    559:20  Unique         5.21, 5.26 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  MG1          25 CYS  HA          5.00    (#    560:20  Unique         3.69, 4.56 A)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          25 CYS  HA          3.50    (#    561:20  Unique         3.15, 4.15 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 384, 385, 386,
 &end
#
#    0 AMB  20-2:562     35 TYR  HA          5.00    (#    562:20  Resolved postSane   )
 &rst
  ixpk= 562, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 522, 479,
 &end
#
#   35 TYR  HN           35 TYR  HA          3.50    (#    563:20  Unique         2.76, 2.77 A)
 &rst
  ixpk= 563, nxpk= 20, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           35 TYR  HA          6.00    (#    564:20  Unique         3.51, 3.81 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 581, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:565     35 TYR  HA          3.50    (#    565:20  Resolved postSane   )
 &rst
  ixpk= 565, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 603, 553,
 &end
#
#   35 TYR  HD1          35 TYR  HA          3.50    (#    567:20  Unique         2.19, 2.27 A)
 &rst
  ixpk= 567, nxpk= 20, iat= 540, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:568     35 TYR  HA          5.00    (#    568:20  NMR Lookup Data     )
 &rst
  ixpk= 568, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 542, 462, 547,
 &end
#
#    0 AMB  20-2:569     35 TYR  HA          5.00    (#    569:20  NMR Lookup Data     )
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 527, 557, 594,
 &end
#
#   35 TYR  HB2          35 TYR  HA          2.70    (#    570:20  Resolved postSane   )
 &rst
  ixpk= 570, nxpk= 20, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:571     35 TYR  HA          3.50    (#    571:20  Resolved postSane   )
 &rst
  ixpk= 571, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 585, 586, 585, 586,
 &end
#
#    0 AMB  20-2:572     35 TYR  HA          5.00    (#    572:20  NMR Lookup Data     )
 &rst
  ixpk= 572, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 589, 588, 467,
 &end
#
#   30 LEU  MDY          35 TYR  HA          5.00    (#    573:20  Unique         4.38, 4.83 A)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          35 TYR  HA          2.70    (#    574:20  Unique         2.03, 2.54 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   28 TYR  HB2          25 CYS  HA          5.00    (#    575:20  Unique         4.79, 4.89 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 431, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  HN           22 CYS  HB-         6.00    (#    579:20  Unique         3.85, 4.65 A)
 &rst
  ixpk= 579, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   25 CYS  HN           22 CYS  HB-         5.00    (#    580:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:581     22 CYS  HB-         3.50    (#    581:20  Resolved postSane   )
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 427,
 igr2= 355, 354,
 &end
#
#   23 THR  HN           22 CYS  HB-         6.00    (#    582:20  Unique         3.62, 4.06 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:583     22 CYS  HB-         5.00    (#    583:20  Resolved postSane   )
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 346,
 igr2= 355, 354,
 &end
#
#   28 TYR  HE2          22 CYS  HB-         6.00    (#    584:20  Unique         4.91, 6.10 A)
 &rst
  ixpk= 584, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   21 HIS  HA           22 CYS  HB-         5.00    (#    585:20  Unique         3.90, 4.63 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#   44 MET  HA           22 CYS  HB-         6.00    (#    586:20  Unique         4.95, 5.08 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   22 CYS  HA           22 CYS  HB-         3.50    (#    588:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:590     22 CYS  HB-         3.50    (#    590:20  NMR Lookup Data     )
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 432, 395, 394,
 igr2= 355, 354,
 &end
#
#   44 MET  HG1          22 CYS  HB-         5.00    (#    591:20  Unique         4.30, 4.67 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#   44 MET  ME           22 CYS  HB-         5.00    (#    592:20  Unique         2.90, 5.07 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 695, 696, 697,
 igr2= 355, 354,
 &end
#
#   24 VAL  HB           22 CYS  HB-         6.00    (#    593:20  Unique         4.73, 5.50 A)
 &rst
  ixpk= 593, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   24 VAL  HN           22 CYS  HB+         6.00    (#    594:20  Unique         3.85, 4.65 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   25 CYS  HN           22 CYS  HB+         5.00    (#    595:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    2.70    (#    596:20  Resolved postSane   )
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 350, 427,
 igr2= 355, 354, 355, 354,
 &end
#
#   23 THR  HN           22 CYS  HB+         6.00    (#    597:20  Unique         3.62, 4.06 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    5.00    (#    598:20  Resolved postSane   )
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 444, 346,
 igr2= 355, 354, 355, 354,
 &end
#
#   21 HIS  HA           22 CYS  HB+         6.00    (#    599:20  Unique         3.90, 4.63 A)
 &rst
  ixpk= 599, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   22 CYS  HA           22 CYS  HB+         3.50    (#    600:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 354,
 &end
#
#   25 CYS  HA           22 CYS  HB+         6.00    (#    601:20  Resolved postSane   )
 &rst
  ixpk= 601, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:603      0 AMB  20-1:603    3.50    (#    603:20  NMR Lookup Data     )
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 395, 394,
 igr2= 355, 354, 355, 354,
 &end
#
#   44 MET  HG1          22 CYS  HB+         6.00    (#    604:20  Unique         4.30, 4.67 A)
 &rst
  ixpk= 604, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   44 MET  ME           22 CYS  HB+         5.00    (#    605:20  Unique         2.90, 5.07 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 695, 696, 697,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:606     22 CYS  HB+         6.00    (#    606:20  Resolved postSane   )
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 370, 366,
 igr2= 355, 354,
 &end
#
#   24 VAL  HB           22 CYS  HB+         5.00    (#    607:20  Unique         4.73, 5.50 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    7 TYR  HN            6 VAL  HA          2.70    (#    608:20  Unique         1.87, 1.95 A)
 &rst
  ixpk= 608, nxpk= 20, iat= 100,  86, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    6 VAL  HN            6 VAL  HA          3.50    (#    609:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  84,  86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HD2           6 VAL  HA          5.00    (#    610:20  Resolved postSane   )
 &rst
  ixpk= 610, nxpk= 20, iat= 117,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:611      6 VAL  HA          6.00    (#    611:20  NMR Lookup Data     )
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 115, 110,
 &end
#
#    7 TYR  HA            6 VAL  HA          5.00    (#    612:20  Resolved postSane   )
 &rst
  ixpk= 612, nxpk= 20, iat= 102,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 PHE  HB+           6 VAL  HA          6.00    (#    613:20  Resolved postSane   )
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  68,  69,
 &end
#
#    7 TYR  HB2           6 VAL  HA          5.00    (#    614:20  Unique         3.55, 3.73 A)
 &rst
  ixpk= 614, nxpk= 20, iat= 104,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:615      6 VAL  HA          6.00    (#    615:20  NMR Lookup Data     )
 &rst
  ixpk= 615, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  32,  33, 105,
 &end
#
#    0 AMB  20-2:616      6 VAL  HA          6.00    (#    616:20  NMR Lookup Data     )
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 244, 263, 296, 264,
 &end
#
#    6 VAL  HB            6 VAL  HA          3.50    (#    617:20  Unique         2.94, 2.99 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  88,  86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:618      6 VAL  HA          3.50    (#    618:20  Resolved postSane   )
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  94,  95,  96,  90,  91,  92,
 &end
#
#   45 VAL  HN           45 VAL  HA          3.50    (#    619:20  Unique         2.98, 2.99 A)
 &rst
  ixpk= 619, nxpk= 20, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HN           45 VAL  HA          3.50    (#    620:20  Unique         3.41, 3.45 A)
 &rst
  ixpk= 620, nxpk= 20, iat= 717, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:621     45 VAL  HA          6.00    (#    621:20  NMR Lookup Data     )
 &rst
  ixpk= 621, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 326, 756,
 &end
#
#   47 TRP  HZ2          45 VAL  HA          5.00    (#    622:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 622, nxpk= 20, iat= 752, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:623     45 VAL  HA          6.00    (#    623:20  Single Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 333, 749,
 &end
#
#   44 MET  HA           45 VAL  HA          5.00    (#    624:20  Unique         4.39, 4.41 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 686, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HA           45 VAL  HA          6.00    (#    625:20  Unique         5.14, 5.16 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 719, 703, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:626     45 VAL  HA          5.00    (#    626:20  Resolved postSane   )
 &rst
  ixpk= 626, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 688, 689, 688, 689,
 &end
#
#   45 VAL  HB           45 VAL  HA          2.70    (#    627:20  Unique         2.69, 2.72 A)
 &rst
  ixpk= 627, nxpk= 20, iat= 705, 703, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:628     45 VAL  HA          5.00    (#    628:20  Resolved postSane   )
 &rst
  ixpk= 628, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 366, 370,
 &end
#
#   45 VAL  MG1          45 VAL  HA          2.70    (#    630:20  Unique         2.30, 2.79 A)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 707, 708, 709,
 &end
#
#   46 LYS  HB3          45 VAL  HA          5.00    (#    631:20  Unique         4.53, 4.63 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 722, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 ASN  HN            9 CYS  HA          2.70    (#    632:20  Unique         2.31, 2.35 A)
 &rst
  ixpk= 632, nxpk= 20, iat= 145, 137, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    9 CYS  HN            9 CYS  HA          3.50    (#    633:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            9 CYS  HA          6.00    (#    634:20  Unique         4.91, 4.92 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 184, 137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA            9 CYS  HA          3.50    (#    635:20  Unique         2.45, 2.51 A)
 &rst
  ixpk= 635, nxpk= 20, iat= 462, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:636      9 CYS  HA          5.00    (#    636:20  NMR Lookup Data     )
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 123, 287,
 &end
#
#    9 CYS  HB3           9 CYS  HA          3.50    (#    638:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 139, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB3           9 CYS  HA          5.00    (#    639:20  Unique         5.52, 5.59 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 483, 137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB2           9 CYS  HA          3.50    (#    640:20  Unique         2.36, 2.37 A)
 &rst
  ixpk= 640, nxpk= 20, iat= 140, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:641      9 CYS  HA          5.00    (#    641:20  NMR Lookup Data     )
 &rst
  ixpk= 641, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 452, 295,
 &end
#
#   30 LEU  MDY           9 CYS  HA          5.00    (#    642:20  Resolved postSane   )
 &rst
  ixpk= 642, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   16 VAL  MG1           9 CYS  HA          3.50    (#    643:20  Unique         3.72, 4.82 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2           9 CYS  HA          6.00    (#    644:20  Unique         3.14, 4.08 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:645     26 GLU  HA          2.70    (#    645:20  Resolved postSane   )
 &rst
  ixpk= 645, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 415, 400,
 &end
#
#   26 GLU  HG2          26 GLU  HA          2.70    (#    647:20 edited  Resolved postSane   )
 &rst
  ixpk= 647, nxpk= 20, iat= 407, 402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:648     26 GLU  HA          2.70    (#    648:20  Resolved postSane   )
 &rst
  ixpk= 648, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 404, 405, 404, 405,
 &end
#
#   28 TYR  HN           28 TYR  HA          5.00    (#    649:20  Unique         2.82, 2.86 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 427, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HN           28 TYR  HA          2.70    (#    650:20  Unique         2.30, 2.37 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 448, 429, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10 ASN  HD2-         28 TYR  HA          3.50    (#    651:20  Unique         3.44, 3.85 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#    0 AMB  20-2:652     28 TYR  HA          3.50    (#    652:20  Resolved postSane   )
 &rst
  ixpk= 652, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 435, 444,
 &end
#
#   29 ASP  HA           28 TYR  HA          5.00    (#    653:20  Unique         4.48, 4.51 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 450, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB+          28 TYR  HA          5.00    (#    654:20  Unique         4.04, 4.62 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   22 CYS  HB-          28 TYR  HA          5.00    (#    655:20  Resolved postSane   )
 &rst
  ixpk= 655, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:656     28 TYR  HA          3.50    (#    656:20  Resolved postSane   )
 &rst
  ixpk= 656, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 432, 149, 150,
 &end
#
#   29 ASP  HB3          28 TYR  HA          6.00    (#    657:20  Unique         5.42, 5.56 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 453, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:658     28 TYR  HA          5.00    (#    658:20  NMR Lookup Data     )
 &rst
  ixpk= 658, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 149, 150, 404, 405, 404, 405,
 &end
#
#   11 GLU  HN           11 GLU  HA          3.50    (#    659:20  Resolved postSane   )
 &rst
  ixpk= 659, nxpk= 20, iat= 159, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           11 GLU  HA          3.50    (#    660:20  Resolved postSane   )
 &rst
  ixpk= 660, nxpk= 20, iat= 174, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:661      0 AMB  20-1:661    6.00    (#    661:20  NMR Lookup Data     )
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  84, 184,
 igr2= 258, 161,
 &end
#
#    5 PHE  HB-          17 GLU  HA          5.00    (#    662:20  Unique         2.42, 4.38 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#   10 ASN  HB+          11 GLU  HA          5.00    (#    663:20  Resolved postSane   )
 &rst
  ixpk= 663, nxpk= 20, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 149, 150,
 &end
#
#   11 GLU  HG2          11 GLU  HA          2.70    (#    664:20  Resolved postSane   )
 &rst
  ixpk= 664, nxpk= 20, iat= 166, 161, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:665     11 GLU  HA          2.70    (#    665:20  NMR Lookup Data     )
 &rst
  ixpk= 665, nxpk= 20, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 260, 261, 164,
 &end
#
#   17 GLU  HB-          17 GLU  HA          5.00    (#    666:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 260, 261,
 &end
#
#    0 AMB  20-2:667      0 AMB  20-1:667    5.00    (#    667:20  NMR Lookup Data     )
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 194, 195, 800, 801, 800, 801,
 igr2= 161, 258,
 &end
#
#   30 LEU  MDY          11 GLU  HA          3.50    (#    668:20  Unique edited  4.02, 4.56 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   10 ASN  HN           10 ASN  HA          3.50    (#    669:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 669, nxpk= 20, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 MET  HN           43 LYS  HA          2.70    (#    670:20  Unique         1.86, 1.89 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 684, 664, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HN           10 ASN  HA          5.00    (#    671:20  Unique         3.41, 3.44 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 159, 147, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           43 LYS  HA          3.50    (#    672:20  Unique         2.86, 2.88 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           13 LYS  HA          5.00    (#    673:20  Unique         4.28, 4.35 A)
 &rst
  ixpk= 673, nxpk= 20, iat= 174, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:675      0 AMB  20-1:675    6.00    (#    675:20  Double Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 645, 462,
 igr2= 664, 147,
 &end
#
#   44 MET  HA           43 LYS  HA          6.00    (#    676:20  Unique         4.35, 4.38 A)
 &rst
  ixpk= 676, nxpk= 20, iat= 686, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 THR  HB           13 LYS  HA          3.50    (#    677:20  Unique         3.37, 3.55 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 125, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:678      0 AMB  20-1:678    5.00    (#    678:20  NMR Lookup Data     )
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 210, 211, 210, 211, 691,
 igr2= 186, 664,
 &end
#
#    0 AMB  20-2:679     10 ASN  HA          5.00    (#    679:20  Resolved postSane   )
 &rst
  ixpk= 679, nxpk= 20, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 197, 198,
 &end
#
#   10 ASN  HB+          10 ASN  HA          3.50    (#    680:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 149, 150,
 &end
#
#   13 LYS  HB2          13 LYS  HA          3.50    (#    681:20  Resolved postSane   )
 &rst
  ixpk= 681, nxpk= 20, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:682      0 AMB  20-1:682    2.70    (#    682:20  NMR Lookup Data     )
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 189, 666,
 igr2= 186, 664,
 &end
#
#    0 AMB  20-2:683     43 LYS  HA          3.50    (#    683:20  Resolved postSane   )
 &rst
  ixpk= 683, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 667, 673,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    3.50    (#    684:20  NMR Lookup Data     )
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 194, 669, 195,
 igr2= 186, 664, 147,
 &end
#
#   43 LYS  HG+          43 LYS  HA          3.50    (#    685:20  Resolved postSane   )
 &rst
  ixpk= 685, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#   13 LYS  HG+           0 AMB  20-1:686    5.00    (#    686:20  Single Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 191, 192,
 igr2= 186, 147,
 &end
#
#    8 THR  MG2          13 LYS  HA          3.50    (#    687:20  Unique         3.28, 4.35 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#    5 PHE  HN            5 PHE  HA          5.00    (#    688:20  Unique         2.94, 2.97 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 VAL  HN            5 PHE  HA          3.50    (#    689:20  Unique         3.32, 3.41 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  84,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:690      5 PHE  HA          6.00    (#    690:20  Resolved postSane   )
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 117, 108,
 &end
#
#    5 PHE  HB+           5 PHE  HA          3.50    (#    691:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  68,  69,
 &end
#
#    5 PHE  HB-           5 PHE  HA          5.00    (#    692:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#    0 AMB  20-2:693      5 PHE  HA          5.00    (#    693:20  NMR Lookup Data     )
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 260, 261,  88,
 &end
#
#    6 VAL  MG2           5 PHE  HA          5.00    (#    694:20  Unique         4.97, 6.14 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  94,  95,  96,
 &end
#
#   40 HIS  HN           39 SER  HA          5.00    (#    695:20  Unique         2.39, 2.49 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 614, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 SER  HN           39 SER  HA          5.00    (#    696:20  Unique         2.19, 2.23 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 603, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:697     39 SER  HA          6.00    (#    697:20  Resolved postSane   )
 &rst
  ixpk= 697, nxpk= 20, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 585, 586,
 &end
#
#   30 LEU  MDX          39 SER  HA          5.00    (#    699:20  Unique         5.45, 6.09 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   13 LYS  HN           13 LYS  HA          3.50    (#    705:20  Unique         2.22, 2.26 A)
 &rst
  ixpk= 705, nxpk= 20, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HIS  HN           14 HIS  HA          5.00    (#    706:20  Unique         2.15, 2.21 A)
 &rst
  ixpk= 706, nxpk= 20, iat= 223, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HN           33 ASN  HA          3.50    (#    707:20  Unique         3.52, 3.55 A)
 &rst
  ixpk= 707, nxpk= 20, iat= 522, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:708     33 ASN  HA          6.00    (#    708:20  NMR Lookup Data     )
 &rst
  ixpk= 708, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 532, 489,
 &end
#
#   14 HIS  HN           14 HIS  HA          5.00    (#    709:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 709, nxpk= 20, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 ASN  HN           33 ASN  HA          3.50    (#    710:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HN           33 ASN  HA          5.00    (#    711:20  Unique         3.31, 3.49 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 553, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 ASN  HD2-         33 ASN  HA          5.00    (#    712:20  Unique         3.84, 4.98 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#    0 AMB  20-2:713     14 HIS  HA          5.00    (#    713:20  Resolved postSane   )
 &rst
  ixpk= 713, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 210, 211, 210, 211,
 &end
#
#    0 AMB  20-2:714     33 ASN  HA          2.70    (#    714:20  NMR Lookup Data     )
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 557, 512, 513, 512, 513,
 &end
#
#   32 ILE  HB           33 ASN  HA          5.00    (#    715:20  Resolved postSane   )
 &rst
  ixpk= 715, nxpk= 20, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HG1+         33 ASN  HA          6.00    (#    716:20  Resolved postSane   )
 &rst
  ixpk= 716, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          33 ASN  HA          3.50    (#    717:20  Unique         3.59, 4.69 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 495, 496, 497,
 &end
#
#   37 THR  MG2          33 ASN  HA          5.00    (#    718:20  Unique         4.08, 5.35 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#    0 AMB  20-2:719     14 HIS  HA          5.00    (#    719:20  NMR Lookup Data     )
 &rst
  ixpk= 719, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 127, 128, 129, 246, 247, 248,
 &end
#
#    4 ARG  HN            4 ARG  HA          6.00    (#    720:20  Unique         2.20, 2.40 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  40,  42, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 PHE  HN            4 ARG  HA          5.00    (#    721:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  64,  42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:722      4 ARG  HA          3.50    (#    722:20  Resolved postSane   )
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  44,  45,  44,  45,
 &end
#
#    4 ARG  HG+           4 ARG  HA          3.50    (#    723:20  Unique         2.33, 2.96 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  47,  48,
 &end
#
#   41 THR  HB           40 HIS  HA          5.00    (#    726:20  Resolved postSane   )
 &rst
  ixpk= 726, nxpk= 20, iat= 635, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  MDX          40 HIS  HA          5.00    (#    727:20  Unique         5.07, 5.63 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   41 THR  MG2          40 HIS  HA          6.00    (#    728:20  Unique         3.86, 5.86 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 637, 638, 639,
 &end
#
#    0 AMB  20-2:729     40 HIS  HA          6.00    (#    729:20  NMR Lookup Data     )
 &rst
  ixpk= 729, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 542, 645,
 &end
#
#    0 AMB  20-2:732     40 HIS  HA          2.70    (#    732:20  Resolved postSane   )
 &rst
  ixpk= 732, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 618, 619, 618, 619,
 &end
#
#    8 THR  HN            2 GLN  HA          6.00    (#    736:20  Unique         4.83, 5.05 A)
 &rst
  ixpk= 736, nxpk= 20, iat= 121,  13, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 ASP  HN            2 GLN  HA          5.00    (#    737:20  Unique         2.09, 2.30 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  28,  13, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 SER  HN           38 LYS  HA          3.50    (#    738:20  Unique         3.49, 3.52 A)
 &rst
  ixpk= 738, nxpk= 20, iat= 603, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:741      2 GLN  HA          5.00    (#    741:20  NMR Lookup Data     )
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 108, 117,
 &end
#
#    0 AMB  20-2:742      2 GLN  HA          5.00    (#    742:20  Resolved postSane   )
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 110, 115,
 &end
#
#    7 TYR  HA            2 GLN  HA          3.50    (#    743:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 102,  13, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:744      2 GLN  HA          3.50    (#    744:20  NMR Lookup Data     )
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  32,  33, 105,
 &end
#
#    2 GLN  HB+           2 GLN  HA          2.70    (#    745:20  Resolved postSane   )
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=  15,  16,
 &end
#
#    6 VAL  MG1           2 GLN  HA          5.00    (#    747:20  Unique         2.53, 4.13 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  90,  91,  92,
 &end
#
#   28 TYR  HN           27 ASP  HA          3.50    (#    748:20  Unique         2.56, 2.73 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 427, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 ASP  HB2          27 ASP  HA          2.70    (#    750:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 750, nxpk= 20, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   27 ASP  HB3          27 ASP  HA          3.50    (#    751:20  Unique         3.04, 3.06 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:752     27 ASP  HA          5.00    (#    752:20  Resolved postSane   )
 &rst
  ixpk= 752, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:753     27 ASP  HA          6.00    (#    753:20  NMR Lookup Data     )
 &rst
  ixpk= 753, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 407, 408,
 &end
#
#   50 GLY  HN            0 AMB  20-1:769    5.00    (#    769:20  Single Ambig)
 &rst
  ixpk= 769, nxpk= 20, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 792, 791,
 &end
#
#   51 LEU  HN            0 AMB  20-1:770    3.50    (#    770:20  Single Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 792, 791,
 &end
#
#   52 ASP  HN           50 GLY  HA2         5.00    (#    771:20  Resolved postSane   )
 &rst
  ixpk= 771, nxpk= 20, iat= 815, 791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:772      0 AMB  20-1:772    3.50    (#    772:20  NMR Lookup Data     )
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 800, 801, 800, 801, 774, 775, 774, 775, 774, 775,
       800, 801,
 igr2= 792, 791,
 &end
#
#    0 AMB  20-2:773      0 AMB  20-1:773    5.00    (#    773:20  NMR Lookup Data     )
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 277, 278, 279, 728,
 igr2= 791, 792,
 &end
#
#    0 AMB  20-2:774      0 AMB  20-1:774    3.50    (#    774:20  NMR Lookup Data     )
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 127, 128, 129, 805, 806, 807,
 igr2=   7, 792,
 &end
#
#    0 AMB  20-2:784      8 THR  HB          6.00    (#    784:20  NMR Lookup Data     )
 &rst
  ixpk= 784, nxpk= 20, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 149, 150, 189,
 &end
#
#    6 VAL  HN            5 PHE  HB+         6.00    (#    789:20  Unique         3.38, 4.02 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  68,  69,
 &end
#
#    5 PHE  HD            5 PHE  HB+         3.50    (#    790:20  Unique         2.38, 3.08 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  80,
 igr2=  68,  69,
 &end
#
#    5 PHE  HA            5 PHE  HB+         5.00    (#    791:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  68,  69,
 &end
#
#   36 ASN  HD2-         36 ASN  HB2         5.00    (#    793:20  Unique         2.21, 3.18 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#   24 VAL  HN           23 THR  HB          5.00    (#    796:20  Unique         3.26, 3.35 A)
 &rst
  ixpk= 796, nxpk= 20, iat= 374, 364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 THR  HN           23 THR  HB          5.00    (#    797:20  Unique         3.65, 3.68 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:799     23 THR  HB          6.00    (#    799:20  NMR Lookup Data     )
 &rst
  ixpk= 799, nxpk= 20, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 667, 673, 672,
 &end
#
#   23 THR  HG1          23 THR  HB          2.70    (#    800:20  Resolved postSane   )
 &rst
  ixpk= 800, nxpk= 20, iat= 370, 364, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:801     23 THR  HB          3.50    (#    801:20  NMR Lookup Data     )
 &rst
  ixpk= 801, nxpk= 20, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 707, 708, 709, 711, 712, 713, 380, 381, 382,
 &end
#
#   16 VAL  MG2          17 GLU  HA          5.00    (#    828:20  Unique         4.50, 5.71 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   14 HIS  HD2          14 HIS  HA          5.00    (#    834:20  Unique         2.33, 3.44 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 219, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           30 LEU  HA          2.70    (#    842:20  Unique         2.24, 2.27 A)
 &rst
  ixpk= 842, nxpk= 20, iat= 479, 462, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   35 TYR  HN           30 LEU  HA          6.00    (#    843:20  Resolved postSane   )
 &rst
  ixpk= 843, nxpk= 20, iat= 532, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GLU  HN           30 LEU  HA          5.00    (#    844:20  Unique         3.26, 3.30 A)
 &rst
  ixpk= 844, nxpk= 20, iat= 159, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           30 LEU  HA          5.00    (#    847:20  Resolved postSane   )
 &rst
  ixpk= 847, nxpk= 20, iat= 481, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HA           30 LEU  HA          3.50    (#    848:20  Preassigned    2.45, 2.51 A)
 &rst
  ixpk= 848, nxpk= 20, iat= 137, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          30 LEU  HA          6.00    (#    849:20  Resolved postSane   )
 &rst
  ixpk= 849, nxpk= 20, iat= 484, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HB3          30 LEU  HA          6.00    (#    850:20  Unique         4.34, 4.38 A)
 &rst
  ixpk= 850, nxpk= 20, iat= 139, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HB2          30 LEU  HA          5.00    (#    851:20  Unique         3.52, 3.62 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 527, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:852      0 AMB  20-1:852    5.00    (#    852:20  NMR Lookup Data     )
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 140, 314, 536, 313,
 igr2= 462, 547, 542,
 &end
#
#   29 ASP  HB3          30 LEU  HA          5.00    (#    853:20  Resolved postSane   )
 &rst
  ixpk= 853, nxpk= 20, iat= 453, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:854      0 AMB  20-1:854    5.00    (#    854:20  Resolved postSane   )
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 695, 696, 697, 149, 150,
 igr2= 542, 462,
 &end
#
#   30 LEU  HB3          30 LEU  HA          3.50    (#    855:20  Unique         2.55, 2.57 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 465, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HG           30 LEU  HA          3.50    (#    856:20  Resolved postSane   )
 &rst
  ixpk= 856, nxpk= 20, iat= 467, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  MDY          30 LEU  HA          3.50    (#    857:20  Unique         2.20, 2.83 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  20-2:858      0 AMB  20-1:858    5.00    (#    858:20  Resolved postSane   )
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 469, 470, 471, 721,
 igr2= 462, 542, 547,
 &end
#
#   21 HIS  HN           29 ASP  HA          6.00    (#    859:20  Unique         4.61, 4.64 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 333, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ASN  HN           29 ASP  HA          6.00    (#    860:20  Unique         4.20, 4.28 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 145, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           29 ASP  HA          2.70    (#    861:20  Unique         2.31, 2.37 A)
 &rst
  ixpk= 861, nxpk= 20, iat= 460, 450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HN           29 ASP  HA          3.50    (#    862:20  Unique         2.93, 3.00 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 350, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HN           29 ASP  HA          3.50    (#    863:20  Unique         2.93, 2.95 A)
 &rst
  ixpk= 863, nxpk= 20, iat= 448, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           29 ASP  HA          2.70    (#    864:20  Unique         2.10, 2.15 A)
 &rst
  ixpk= 864, nxpk= 20, iat= 335, 450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   28 TYR  HA           29 ASP  HA          6.00    (#    865:20  Resolved postSane   )
 &rst
  ixpk= 865, nxpk= 20, iat= 429, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HA           29 ASP  HA          6.00    (#    866:20  Unique         5.03, 5.13 A)
 &rst
  ixpk= 866, nxpk= 20, iat= 137, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:867     29 ASP  HA          5.00    (#    867:20  Resolved postSane   )
 &rst
  ixpk= 867, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 337, 338, 355, 354,
 &end
#
#   20 TRP  HB2          29 ASP  HA          5.00    (#    868:20  Resolved postSane   )
 &rst
  ixpk= 868, nxpk= 20, iat= 313, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:869     29 ASP  HA          3.50    (#    869:20  NMR Lookup Data     )
 &rst
  ixpk= 869, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 452, 295, 337, 338,
 &end
#
#   29 ASP  HB3          29 ASP  HA          2.70    (#    870:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 453, 450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  ME           29 ASP  HA          3.50    (#    871:20  Resolved postSane   )
 &rst
  ixpk= 871, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#   30 LEU  HB2          29 ASP  HA          5.00    (#    872:20  Resolved postSane   )
 &rst
  ixpk= 872, nxpk= 20, iat= 464, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:873     29 ASP  HA          5.00    (#    873:20  NMR Lookup Data     )
 &rst
  ixpk= 873, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 467, 289, 290,
 &end
#
#   30 LEU  MDY          29 ASP  HA          5.00    (#    874:20  Unique         5.17, 5.89 A)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          29 ASP  HA          5.00    (#    875:20  Unique         5.48, 6.11 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   31 CYS  HN           16 VAL  MG1         5.00    (#    930:20  Unique         3.94, 4.77 A)
 &rst
  ixpk= 930, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#   32 ILE  HN           16 VAL  MG1         5.00    (#    931:20  Unique         5.49, 6.21 A)
 &rst
  ixpk= 931, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#    0 AMB  20-2:932     16 VAL  MG1         6.00    (#    932:20  NMR Lookup Data     )
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 100, 121,
 igr2= 246, 247, 248,
 &end
#
#    0 AMB  20-2:933     16 VAL  MG1         3.50    (#    933:20  NMR Lookup Data     )
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 135, 240,
 igr2= 246, 247, 248,
 &end
#
#    0 AMB  20-2:935     16 VAL  MG1         3.50    (#    935:20  NMR Lookup Data     )
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 481,
 igr2= 246, 247, 248,
 &end
#
#    9 CYS  HA           16 VAL  MG1         5.00    (#    937:20  Unique         3.72, 4.82 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#   31 CYS  HB2          16 VAL  MG1         3.50    (#    938:20  Unique         2.10, 2.61 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#    9 CYS  HB3          16 VAL  MG1         5.00    (#    939:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 939, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#   31 CYS  HB3          16 VAL  MG1         3.50    (#    940:20  Unique         2.80, 3.77 A)
 &rst
  ixpk= 940, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#    9 CYS  HB2          16 VAL  MG1         3.50    (#    941:20  Unique         2.00, 3.01 A)
 &rst
  ixpk= 941, nxpk= 20, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#   16 VAL  HB           16 VAL  MG1         3.50    (#    942:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 942, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#   49 LEU  HA            0 AMB  20-1:944    3.50    (#    944:20 edited  Single Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 779, 780, 781, 805, 806, 807,
 &end
#
#    0 AMB  20-2:945      0 AMB  20-1:945    3.50    (#    945:20  Resolved postSane   )
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 774, 775, 774, 775, 803, 800, 801, 800, 801, 777,
      
 igr2= 779, 780, 781, 805, 806, 807,
 &end
#
#   45 VAL  HN           23 THR  HG21        3.50    (#    949:20  Unique         2.87, 2.94 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 701, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           23 THR  HG21        2.70    (#    950:20  Unique         2.20, 2.24 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   21 HIS  HD2          23 THR  HG21        5.00    (#    951:20  Unique         5.04, 5.08 A)
 &rst
  ixpk= 951, nxpk= 20, iat= 346, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           23 THR  HG21        3.50    (#    952:20  Unique         2.70, 2.72 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 686, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:954     23 THR  HG21        3.50    (#    954:20  NMR Lookup Data     )
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 362, 364, 352,
 &end
#
#   44 MET  HG2          23 THR  HG21        6.00    (#    956:20  Resolved postSane   )
 &rst
  ixpk= 956, nxpk= 20, iat= 691, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:957     23 THR  HG21        5.00    (#    957:20  Resolved postSane   )
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 676, 675,
 &end
#
#    0 AMB  20-2:958     23 THR  HG21        5.00    (#    958:20  Resolved postSane   )
 &rst
  ixpk= 958, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 688, 689, 688, 689,
 &end
#
#   45 VAL  MG2          23 THR  HG21        2.70    (#    959:20  Resolved postSane   )
 &rst
  ixpk= 959, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 711, 712, 713,
 &end
#
#   47 TRP  HN           18 THR  MG2         5.00    (#    969:20  Resolved postSane   )
 &rst
  ixpk= 969, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 277, 278, 279,
 &end
#
#   19 ARG  HN           18 THR  MG2         3.50    (#    970:20  Unique         2.45, 3.65 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 277, 278, 279,
 &end
#
#   49 LEU  HN           18 THR  MG2         6.00    (#    971:20  Unique         3.71, 4.78 A)
 &rst
  ixpk= 971, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 277, 278, 279,
 &end
#
#   52 ASP  HN           18 THR  MG2         5.00    (#    972:20  Unique         2.34, 3.93 A)
 &rst
  ixpk= 972, nxpk= 20, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 277, 278, 279,
 &end
#
#   20 TRP  HZ2          18 THR  MG2         5.00    (#    974:20  Unique         5.38, 6.22 A)
 &rst
  ixpk= 974, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 277, 278, 279,
 &end
#
#   18 THR  HB           18 THR  MG2         2.70    (#    975:20  Resolved postSane   )
 &rst
  ixpk= 975, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 277, 278, 279,
 &end
#
#    0 AMB  20-2:976     18 THR  MG2         2.70    (#    976:20  NMR Lookup Data     )
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 730, 731,
 igr2= 277, 278, 279,
 &end
#
#   46 LYS  HG+          18 THR  MG2         3.50    (#    977:20  Unique         3.47, 4.41 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 724, 725,
 igr2= 277, 278, 279,
 &end
#
#   46 LYS  HG-          18 THR  MG2         3.50    (#    978:20  Unique         2.80, 3.96 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 724, 725,
 igr2= 277, 278, 279,
 &end
#
#   38 LYS  HN           37 THR  MG2         5.00    (#    979:20  Unique         4.38, 4.95 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  20-2:980     37 THR  MG2         5.00    (#    980:20  NMR Lookup Data     )
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 553, 603,
 igr2= 573, 574, 575,
 &end
#
#   37 THR  HN           37 THR  MG2         3.50    (#    981:20  Unique         2.27, 3.34 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 573, 574, 575,
 &end
#
#   33 ASN  HA           37 THR  MG2         5.00    (#    982:20  Unique         4.08, 5.35 A)
 &rst
  ixpk= 982, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  20-2:983     37 THR  MG2         2.70    (#    983:20  NMR Lookup Data     )
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 569, 571,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  20-2:984     37 THR  MG2         3.50    (#    984:20  NMR Lookup Data     )
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 557, 512, 513, 512, 513, 595,
 igr2= 573, 574, 575,
 &end
#
#    8 THR  HN            8 THR  MG2         5.00    (#    985:20  Unique         3.55, 4.41 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#    9 CYS  HN            8 THR  MG2         3.50    (#    986:20  Resolved postSane   )
 &rst
  ixpk= 986, nxpk= 20, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   13 LYS  HN            8 THR  MG2         5.00    (#    987:20  Unique         4.81, 5.97 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#   15 HIS  HD2           8 THR  MG2         5.00    (#    988:20  Unique         2.85, 4.69 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#   15 HIS  HA            8 THR  MG2         3.50    (#    989:20  Unique         2.36, 3.39 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   13 LYS  HA            8 THR  MG2         3.50    (#    990:20  Unique         3.28, 4.35 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#    8 THR  HB            8 THR  MG2         2.70    (#    991:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 991, nxpk= 20, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  20-2:992      8 THR  MG2         5.00    (#    992:20  Resolved postSane   )
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 227, 228, 227, 228,
 igr2= 127, 128, 129,
 &end
#
#   13 LYS  HB3           8 THR  MG2         5.00    (#    995:20  Unique         4.45, 5.28 A)
 &rst
  ixpk= 995, nxpk= 20, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#    7 TYR  HN            6 VAL  MG1         3.50    (#    999:20  Unique         2.28, 3.39 A)
 &rst
  ixpk= 999, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#    0 AMB  20-2:1000     6 VAL  MG1         5.00    (#   1000:20  NMR Lookup Data     )
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  28, 240,
 igr2=  90,  91,  92,
 &end
#
#   41 THR  HN           41 THR  MG2         5.00    (#   1001:20  Unique         2.07, 4.02 A)
 &rst
  ixpk= 1001, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 637, 638, 639,
 &end
#
#    6 VAL  HN            6 VAL  MG1         3.50    (#   1002:20  Unique         3.49, 4.20 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#   15 HIS  HD2           6 VAL  MG1         5.00    (#   1003:20  Unique         1.97, 2.63 A)
 &rst
  ixpk= 1003, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  90,  91,  92,
 &end
#
#   15 HIS  HA            6 VAL  MG1         5.00    (#   1004:20  Unique         3.13, 4.64 A)
 &rst
  ixpk= 1004, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  90,  91,  92,
 &end
#
#    6 VAL  HA            6 VAL  MG1         3.50    (#   1005:20  Unique         2.88, 3.61 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#    0 AMB  20-2:1006     6 VAL  MG1         3.50    (#   1006:20  Resolved postSane   )
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 227, 228, 227, 228,
 igr2=  90,  91,  92,
 &end
#
#    3 ASP  HB-           6 VAL  MG1         5.00    (#   1007:20  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  32,  33,
 igr2=  90,  91,  92,
 &end
#
#    6 VAL  HB            6 VAL  MG1         2.70    (#   1008:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=  90,  91,  92,
 &end
#
#   24 VAL  HN           24 VAL  MG1         2.70    (#   1009:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 1009, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 380, 381, 382,
 &end
#
#   25 CYS  HN           24 VAL  MG1         3.50    (#   1010:20  Unique         1.72, 2.31 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   43 LYS  HN           24 VAL  MG1         5.00    (#   1011:20  Unique         2.73, 3.81 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 380, 381, 382,
 &end
#
#   46 LYS  HN           45 VAL  MG2         3.50    (#   1012:20  Unique         2.05, 3.08 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 711, 712, 713,
 &end
#
#   23 THR  HN           24 VAL  MG1         6.00    (#   1013:20  Unique         2.21, 3.08 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 380, 381, 382,
 &end
#
#   42 HIS  HD2          24 VAL  MG1         6.00    (#   1014:20  Unique         4.92, 5.61 A)
 &rst
  ixpk= 1014, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 380, 381, 382,
 &end
#
#   22 CYS  HA           24 VAL  MG1         3.50    (#   1015:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   24 VAL  HA           24 VAL  MG1         3.50    (#   1016:20  Unique         3.63, 3.95 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   42 HIS  HB2          24 VAL  MG1         3.50    (#   1017:20  Unique         2.17, 2.77 A)
 &rst
  ixpk= 1017, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   42 HIS  HB3          24 VAL  MG1         3.50    (#   1018:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   47 TRP  HE1          45 VAL  MG2         6.00    (#   1020:20  Unique         2.18, 2.82 A)
 &rst
  ixpk= 1020, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 711, 712, 713,
 &end
#
#   45 VAL  HN           45 VAL  MG2         3.50    (#   1021:20  Unique         2.08, 2.63 A)
 &rst
  ixpk= 1021, nxpk= 20, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 711, 712, 713,
 &end
#
#   47 TRP  HD1          45 VAL  MG2         5.00    (#   1023:20  Unique         3.67, 4.61 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#   47 TRP  HZ2          45 VAL  MG2         5.00    (#   1024:20  Unique         2.22, 3.29 A)
 &rst
  ixpk= 1024, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#   44 MET  HA           45 VAL  MG2         5.00    (#   1025:20  Unique         3.45, 4.33 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  20-2:1026    45 VAL  MG2         6.00    (#   1026:20  NMR Lookup Data     )
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 362, 364, 352,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  20-2:1028    45 VAL  MG2         5.00    (#   1028:20  NMR Lookup Data     )
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 743, 744, 676,
 igr2= 711, 712, 713,
 &end
#
#   45 VAL  HB           45 VAL  MG2         2.70    (#   1029:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 711, 712, 713,
 &end
#
#   23 THR  HG21         45 VAL  MG2         2.70    (#   1030:20  Unique         2.28, 3.39 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  20-2:1031    16 VAL  MG2         5.00    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 309, 460,
 igr2= 250, 251, 252,
 &end
#
#   32 ILE  HN           16 VAL  MG2         6.00    (#   1032:20  Unique         4.67, 5.56 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1033    16 VAL  MG2         5.00    (#   1033:20  Resolved postSane   )
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 100, 121,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1034    16 VAL  MG2         2.70    (#   1034:20  Resolved postSane   )
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 240, 135,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1035    16 VAL  MG2         5.00    (#   1035:20  NMR Lookup Data     )
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 108, 117,
 igr2= 250, 251, 252,
 &end
#
#   15 HIS  HA           16 VAL  MG2         5.00    (#   1036:20  Unique         3.52, 4.65 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1037    16 VAL  MG2         3.50    (#   1037:20  Resolved postSane   )
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 481,
 igr2= 250, 251, 252,
 &end
#
#   17 GLU  HA           16 VAL  MG2         6.00    (#   1038:20  Unique         4.50, 5.71 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#    9 CYS  HA           16 VAL  MG2         6.00    (#   1039:20  Resolved postSane   )
 &rst
  ixpk= 1039, nxpk= 20, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#   31 CYS  HB2          16 VAL  MG2         5.00    (#   1040:20  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1040, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    9 CYS  HB3          16 VAL  MG2         6.00    (#   1041:20  Unique         3.89, 4.69 A)
 &rst
  ixpk= 1041, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#   31 CYS  HB3          16 VAL  MG2         5.00    (#   1042:20  Unique         3.67, 4.63 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1043    16 VAL  MG2         3.50    (#   1043:20  Resolved postSane   )
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 104, 140,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1044    16 VAL  MG2         2.70    (#   1044:20  NMR Lookup Data     )
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 295, 105,
 igr2= 250, 251, 252,
 &end
#
#   16 VAL  HB           16 VAL  MG2         2.70    (#   1045:20  Resolved postSane   )
 &rst
  ixpk= 1045, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1046    16 VAL  MG2         3.50    (#   1046:20  NMR Lookup Data     )
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289, 290, 289, 290,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1048    44 MET  ME          3.50    (#   1048:20  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 460, 309,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1049    44 MET  ME          5.00    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 701, 532, 684,
 igr2= 695, 696, 697,
 &end
#
#   22 CYS  HN           44 MET  ME          3.50    (#   1050:20  Unique         2.87, 3.60 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   21 HIS  HN           44 MET  ME          5.00    (#   1051:20  Unique         2.98, 4.12 A)
 &rst
  ixpk= 1051, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1052    44 MET  ME          5.00    (#   1052:20  NMR Lookup Data     )
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 717, 360,
 igr2= 695, 696, 697,
 &end
#
#   40 HIS  HD2          44 MET  ME          5.00    (#   1053:20  Unique         3.95, 4.87 A)
 &rst
  ixpk= 1053, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   28 TYR  HD2          44 MET  ME          3.50    (#   1054:20  Resolved postSane   )
 &rst
  ixpk= 1054, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   35 TYR  HD1          44 MET  ME          5.00    (#   1055:20  Unique         2.95, 4.27 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   29 ASP  HA           44 MET  ME          3.50    (#   1056:20  Resolved postSane   )
 &rst
  ixpk= 1056, nxpk= 20, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   21 HIS  HA           44 MET  ME          5.00    (#   1057:20  Unique         3.32, 4.00 A)
 &rst
  ixpk= 1057, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   44 MET  HA           44 MET  ME          5.00    (#   1058:20  Unique         4.32, 5.07 A)
 &rst
  ixpk= 1058, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   22 CYS  HA           44 MET  ME          3.50    (#   1059:20  Unique         3.77, 4.47 A)
 &rst
  ixpk= 1059, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   35 TYR  HA           44 MET  ME          5.00    (#   1060:20  Resolved postSane   )
 &rst
  ixpk= 1060, nxpk= 20, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1061    44 MET  ME          2.70    (#   1061:20  NMR Lookup Data     )
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 691, 355, 354, 618, 619,
 igr2= 695, 696, 697,
 &end
#
#   22 CYS  HB-          44 MET  ME          3.50    (#   1062:20  Unique         2.90, 5.07 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 355, 354,
 igr2= 695, 696, 697,
 &end
#
#   20 TRP  HB2          44 MET  ME          3.50    (#   1063:20  Resolved postSane   )
 &rst
  ixpk= 1063, nxpk= 20, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1064    44 MET  ME          2.70    (#   1064:20  Resolved postSane   )
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 688, 689, 688, 689,
 igr2= 695, 696, 697,
 &end
#
#   30 LEU  MDX          44 MET  ME          3.50    (#   1066:20  Unique         2.70, 4.79 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 695, 696, 697,
 &end
#
#   32 ILE  HN           32 ILE  MG2         5.00    (#   1075:20  Resolved postSane   )
 &rst
  ixpk= 1075, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 495, 496, 497,
 &end
#
#   33 ASN  HN           32 ILE  MG2         3.50    (#   1076:20  Unique         3.74, 4.43 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 495, 496, 497,
 &end
#
#   36 ASN  HD2-         32 ILE  MG2         3.50    (#   1078:20  Resolved postSane   )
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 562, 563,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1079    32 ILE  MG2         3.50    (#   1079:20  NMR Lookup Data     )
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 317,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1080    32 ILE  MG2         5.00    (#   1080:20  NMR Lookup Data     )
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 481,
 igr2= 495, 496, 497,
 &end
#
#   33 ASN  HA           32 ILE  MG2         5.00    (#   1081:20  Unique         3.59, 4.69 A)
 &rst
  ixpk= 1081, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HA           32 ILE  MG2         2.70    (#   1082:20  Unique         2.39, 3.04 A)
 &rst
  ixpk= 1082, nxpk= 20, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1083    32 ILE  MG2         5.00    (#   1083:20  Resolved postSane   )
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 557, 512, 513, 512, 513,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1084    32 ILE  MG2         5.00    (#   1084:20  NMR Lookup Data     )
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 819, 820, 537,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1085    32 ILE  MG2         6.00    (#   1085:20  Resolved postSane   )
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 731, 730,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HB           32 ILE  MG2         2.70    (#   1086:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HG1+         32 ILE  MG2         3.50    (#   1087:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 499, 500,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HG1-         32 ILE  MG2         3.50    (#   1088:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 499, 500,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1094    30 LEU  HB3         5.00    (#   1094:20  NMR Lookup Data     )
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 479, 522,
 &end
#
#   35 TYR  HN           30 LEU  HB3         6.00    (#   1095:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 1095, nxpk= 20, iat= 532, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB 20-2:1096     30 LEU  HB3         6.00    (#   1096:20  Resolved postSane   )
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 317, 540,
 &end
#
#   28 TYR  HE2          30 LEU  HB3         6.00    (#   1097:20  Unique         4.94, 5.01 A)
 &rst
  ixpk= 1097, nxpk= 20, iat= 442, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           30 LEU  HB3         3.50    (#   1098:20  Unique         2.55, 2.57 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 462, 465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HA           30 LEU  HB3         6.00    (#   1099:20  Unique         2.89, 3.02 A)
 &rst
  ixpk= 1099, nxpk= 20, iat= 534, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HB2          30 LEU  HB3         5.00    (#   1100:20  Unique         2.84, 2.94 A)
 &rst
  ixpk= 1100, nxpk= 20, iat= 527, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1101    30 LEU  HB3         3.50    (#   1101:20  NMR Lookup Data     )
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 536, 313,
 &end
#
#   30 LEU  HG           30 LEU  HB3         5.00    (#   1102:20  Resolved postSane   )
 &rst
  ixpk= 1102, nxpk= 20, iat= 467, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  MDY          30 LEU  HB3         5.00    (#   1104:20  Unique         2.43, 3.19 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          30 LEU  HB3         2.70    (#   1105:20  Unique         2.42, 3.09 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  20-2:1106    30 LEU  HB2         3.50    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 460, 309,
 &end
#
#   35 TYR  HN           30 LEU  HB2         6.00    (#   1107:20  Unique         3.48, 3.56 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 532, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1108    30 LEU  HB2         6.00    (#   1108:20  NMR Lookup Data     )
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 317, 540,
 &end
#
#   28 TYR  HE2          30 LEU  HB2         6.00    (#   1109:20  Unique         4.34, 4.43 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           30 LEU  HB2         3.50    (#   1110:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1110, nxpk= 20, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HA           30 LEU  HB2         5.00    (#   1111:20  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1111, nxpk= 20, iat= 534, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          30 LEU  HB2         5.00    (#   1112:20  Unique         4.59, 4.68 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 527, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1113    30 LEU  HB2         2.70    (#   1113:20  NMR Lookup Data     )
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 536, 313,
 &end
#
#   30 LEU  HG           30 LEU  HB2         3.50    (#   1115:20  Unique         2.46, 2.48 A)
 &rst
  ixpk= 1115, nxpk= 20, iat= 467, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  MDY          30 LEU  HB2         3.50    (#   1116:20  Unique         3.58, 3.96 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          30 LEU  HB2         2.70    (#   1117:20  Unique         2.46, 3.16 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   29 ASP  HB3          30 LEU  HB2         6.00    (#   1118:20  Resolved postSane   )
 &rst
  ixpk= 1118, nxpk= 20, iat= 453, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 TRP  HE1          32 ILE  MD1         5.00    (#   1119:20  Unique         1.78, 2.41 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HN           32 ILE  MD1         3.50    (#   1120:20  Unique         2.41, 3.41 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 502, 503, 504,
 &end
#
#   33 ASN  HN           32 ILE  MD1         5.00    (#   1121:20  Unique         5.14, 5.81 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1122    32 ILE  MD1         5.00    (#   1122:20  Resolved postSane   )
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 271, 815,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HH2          32 ILE  MD1         6.00    (#   1123:20  Unique         4.91, 5.97 A)
 &rst
  ixpk= 1123, nxpk= 20, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HZ2          32 ILE  MD1         3.50    (#   1125:20  Unique         2.80, 4.18 A)
 &rst
  ixpk= 1125, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HD1          32 ILE  MD1         5.00    (#   1126:20  Unique         2.22, 3.40 A)
 &rst
  ixpk= 1126, nxpk= 20, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#   19 ARG  HA           32 ILE  MD1         5.00    (#   1127:20  Unique         2.36, 3.30 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#   52 ASP  HA           32 ILE  MD1         5.00    (#   1128:20  Unique         3.13, 4.15 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1129    32 ILE  MD1         3.50    (#   1129:20  NMR Lookup Data     )
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 275, 491,
 igr2= 502, 503, 504,
 &end
#
#   31 CYS  HB3          32 ILE  MD1         6.00    (#   1130:20  Unique         5.35, 6.29 A)
 &rst
  ixpk= 1130, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1131    32 ILE  MD1         6.00    (#   1131:20  NMR Lookup Data     )
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 819, 820, 537, 313,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1132    32 ILE  MD1         5.00    (#   1132:20  Resolved postSane   )
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 731, 730,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HB           32 ILE  MD1         3.50    (#   1133:20  Unique         3.78, 4.06 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HG1+         32 ILE  MD1         2.70    (#   1134:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 499, 500,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HG1-         32 ILE  MD1         2.70    (#   1135:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 499, 500,
 igr2= 502, 503, 504,
 &end
#
#   30 LEU  HN           29 ASP  HB2         3.50    (#   1136:20  Unique         3.36, 3.41 A)
 &rst
  ixpk= 1136, nxpk= 20, iat= 460, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1137    29 ASP  HB2         6.00    (#   1137:20  NMR Lookup Data     )
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 121, 159, 350,
 &end
#
#   29 ASP  HN           29 ASP  HB2         5.00    (#   1138:20  Unique         3.11, 3.18 A)
 &rst
  ixpk= 1138, nxpk= 20, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HA           29 ASP  HB2         3.50    (#   1139:20  Unique         2.98, 3.02 A)
 &rst
  ixpk= 1139, nxpk= 20, iat= 450, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HA           29 ASP  HB2         5.00    (#   1140:20  Unique         3.19, 3.33 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 137, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1142    29 ASP  HB2         5.00    (#   1142:20  Resolved postSane   )
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 289, 290, 467,
 &end
#
#   19 ARG  HG+          29 ASP  HB2         5.00    (#   1143:20  Unique         4.96, 5.04 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   16 VAL  MG2          29 ASP  HB2         5.00    (#   1145:20  Unique         5.49, 6.06 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   10 ASN  HN           29 ASP  HB3         6.00    (#   1146:20  Unique         3.67, 3.81 A)
 &rst
  ixpk= 1146, nxpk= 20, iat= 145, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           29 ASP  HB3         3.50    (#   1147:20  Unique         2.48, 2.69 A)
 &rst
  ixpk= 1147, nxpk= 20, iat= 460, 453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1148    29 ASP  HB3         6.00    (#   1148:20  Resolved postSane   )
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 350, 121, 342, 159,
 &end
#
#   29 ASP  HN           29 ASP  HB3         5.00    (#   1149:20  Unique         3.92, 3.97 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HA           29 ASP  HB3         3.50    (#   1150:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 1150, nxpk= 20, iat= 450, 453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           29 ASP  HB3         6.00    (#   1151:20  Unique         2.87, 3.05 A)
 &rst
  ixpk= 1151, nxpk= 20, iat= 335, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HA           29 ASP  HB3         5.00    (#   1152:20  Unique         4.01, 4.20 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 137, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ARG  HB+          29 ASP  HB3         5.00    (#   1154:20  Resolved postSane   )
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 289, 290,
 &end
#
#   19 ARG  HG+          29 ASP  HB3         5.00    (#   1155:20  Unique         3.42, 3.53 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   16 VAL  MG2          29 ASP  HB3         5.00    (#   1157:20  Unique         5.63, 6.14 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   10 ASN  HN           29 ASP  HB2         5.00    (#   1158:20  Unique         2.16, 2.30 A)
 &rst
  ixpk= 1158, nxpk= 20, iat= 145, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1159    19 ARG  HD-         6.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 460, 309,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1160    19 ARG  HD-         5.00    (#   1160:20  NMR Lookup Data     )
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 121, 285, 350,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1161    19 ARG  HD-         5.00    (#   1161:20  Resolved postSane   )
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 108, 747,
 igr2= 295, 296,
 &end
#
#    7 TYR  HB2          19 ARG  HD-         5.00    (#   1163:20  Resolved postSane   )
 &rst
  ixpk= 1163, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1164    19 ARG  HD-         2.70    (#   1164:20  NMR Lookup Data     )
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 289, 290, 292,
 igr2= 295, 296,
 &end
#
#   19 ARG  HG+          19 ARG  HD-         5.00    (#   1165:20  Unique         2.25, 2.31 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 295, 296,
 &end
#
#   16 VAL  MG2          19 ARG  HD-         5.00    (#   1166:20  Unique         3.97, 4.47 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 250, 251, 252,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1167    19 ARG  HD+         6.00    (#   1167:20  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 460, 309,
 igr2= 295, 296,
 &end
#
#    8 THR  HN           19 ARG  HD+         5.00    (#   1168:20  Unique         2.43, 2.72 A)
 &rst
  ixpk= 1168, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1169    19 ARG  HD+         5.00    (#   1169:20  Resolved postSane   )
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 108, 117,
 igr2= 295, 296,
 &end
#
#    7 TYR  HB2          19 ARG  HD+         5.00    (#   1171:20  Unique         2.26, 2.43 A)
 &rst
  ixpk= 1171, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#   19 ARG  HG+          19 ARG  HD+         3.50    (#   1174:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1175    19 ARG  HD+         2.70    (#   1175:20  NMR Lookup Data     )
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 289, 290, 292,
 igr2= 295, 296,
 &end
#
#   16 VAL  MG2          19 ARG  HD+         3.50    (#   1176:20  Unique         3.29, 3.57 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252,
 igr2= 295, 296,
 &end
#
#   49 LEU  HN            0 AMB  20-1:1177   3.50    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 774, 775, 774, 775,
 &end
#
#   51 LEU  HN            0 AMB  20-1:1178   3.50    (#   1178:20  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 800, 801, 800, 801,
 &end
#
#   52 ASP  HN            0 AMB  20-1:1179   5.00    (#   1179:20  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 20, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 800, 801, 800, 801,
 &end
#
#   49 LEU  HA            0 AMB  20-1:1180   2.70    (#   1180:20  Resolved postSane   )
 &rst
  ixpk= 1180, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 774, 775, 774, 775, 800, 801, 800, 801,
 &end
#
#    0 AMB  20-2:1181     0 AMB  20-1:1181   5.00    (#   1181:20  NMR Lookup Data     )
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
 igr1= 275, 792, 766, 273,  42, 791,
 igr2= 800, 801, 800, 801, 800, 801, 800, 801, 774, 775,
       774, 775, 800, 801, 774, 775, 774, 775, 774, 775,
      
 &end
#
#    5 PHE  HB-           0 AMB  20-1:1182   2.70    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  68,  69,
 igr2= 774, 775, 774, 775,
 &end
#
#    0 AMB  20-2:1183     0 AMB  20-1:1183   2.70    (#   1183:20  NMR Lookup Data     )
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 779, 780, 781, 809, 810, 811, 805, 806, 807, 783,
       784, 785,
 igr2= 774, 775, 774, 775, 800, 801, 800, 801, 800, 801,
       774, 775,
 &end
#
#   10 ASN  HN           10 ASN  HB-         3.50    (#   1184:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1184, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 149, 150,
 &end
#
#   11 GLU  HN           10 ASN  HB-         5.00    (#   1185:20  Unique         3.06, 3.64 A)
 &rst
  ixpk= 1185, nxpk= 20, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:1186    10 ASN  HB-         3.50    (#   1186:20  NMR Lookup Data     )
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 448, 154, 155,
 igr2= 149, 150,
 &end
#
#   10 ASN  HD2-         10 ASN  HB-         5.00    (#   1187:20  Unique         2.14, 3.34 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 154, 155,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:1188    10 ASN  HB-         5.00    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 437, 442,
 igr2= 149, 150,
 &end
#
#   10 ASN  HA           10 ASN  HB-         5.00    (#   1189:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1189, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 149, 150,
 &end
#
#   30 LEU  MDY          10 ASN  HB-         5.00    (#   1191:20  Unique         3.25, 5.07 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 149, 150,
 &end
#
#   21 HIS  HN            0 AMB  20-1:1192   6.00    (#   1192:20  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 688, 689, 688, 689,
 &end
#
#   44 MET  HN           44 MET  HB-         3.50    (#   1193:20  Resolved postSane   )
 &rst
  ixpk= 1193, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 688, 689,
 &end
#
#   21 HIS  HD2           0 AMB  20-1:1194   5.00    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#    0 AMB  20-2:1195    44 MET  HB-         5.00    (#   1195:20  NMR Lookup Data     )
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 542, 645, 547,
 igr2= 688, 689,
 &end
#
#   44 MET  HA            0 AMB  20-1:1196   3.50    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 688, 689, 688, 689,
 &end
#
#   22 CYS  HA            0 AMB  20-1:1197   5.00    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#   43 LYS  HA            0 AMB  20-1:1198   5.00    (#   1198:20  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#   44 MET  HG2           0 AMB  20-1:1199   2.70    (#   1199:20  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 688, 689, 688, 689,
 &end
#
#   20 TRP  HB3           0 AMB  20-1:1200   3.50    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 688, 689, 688, 689,
 &end
#
#   44 MET  ME            0 AMB  20-1:1201   2.70    (#   1201:20  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 695, 696, 697,
 igr2= 688, 689, 688, 689,
 &end
#
#   20 TRP  HE1          32 ILE  HB          6.00    (#   1202:20  Unique         3.82, 3.92 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 319, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ILE  HN           32 ILE  HB          3.50    (#   1203:20  Unique         2.84, 2.90 A)
 &rst
  ixpk= 1203, nxpk= 20, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HN           32 ILE  HB          3.50    (#   1204:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1204, nxpk= 20, iat= 508, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1205    32 ILE  HB          5.00    (#   1205:20  Resolved postSane   )
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 562, 563, 322,
 &end
#
#   20 TRP  HD1          32 ILE  HB          6.00    (#   1206:20  Resolved postSane   )
 &rst
  ixpk= 1206, nxpk= 20, iat= 317, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1207    32 ILE  HB          5.00    (#   1207:20  Resolved postSane   )
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 481, 287,
 &end
#
#   32 ILE  HA           32 ILE  HB          3.50    (#   1208:20  Unique         2.93, 2.96 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 491, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1209    32 ILE  HB          5.00    (#   1209:20  NMR Lookup Data     )
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 512, 513, 512, 513, 483,
 &end
#
#   32 ILE  HG1-         32 ILE  HB          3.50    (#   1211:20  Unique         2.31, 2.42 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          32 ILE  HB          2.70    (#   1212:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 495, 496, 497,
 &end
#
#   32 ILE  MD1          32 ILE  HB          3.50    (#   1213:20  Resolved postSane   )
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 502, 503, 504,
 &end
#
#   17 GLU  HN           17 GLU  HG2         6.00    (#   1221:20  Unique         2.01, 2.24 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 THR  HN            0 AMB  20-1:1222   5.00    (#   1222:20  Single Ambig)
 &rst
  ixpk= 1222, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 263, 264,
 &end
#
#    0 AMB  20-2:1225     0 AMB  20-1:1225   6.00    (#   1225:20  NMR Lookup Data     )
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 483,  68,  69,
 igr2= 263, 264,
 &end
#
#   17 GLU  HB-           0 AMB  20-1:1226   2.70    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 260, 261,
 igr2= 264, 263,
 &end
#
#   51 LEU  MDY           0 AMB  20-1:1227   3.50    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 805, 806, 807, 809, 810, 811,
 igr2= 264, 263,
 &end
#
#    6 VAL  MG2           0 AMB  20-1:1228   5.00    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  94,  95,  96,
 igr2= 263, 264,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1229   5.00    (#   1229:20  Single Ambig)
 &rst
  ixpk= 1229, nxpk= 20, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:1230     0 AMB  20-1:1230   5.00    (#   1230:20  NMR Lookup Data     )
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 240, 174,
 igr2= 244, 166, 167,
 &end
#
#   31 CYS  HA           16 VAL  HB          5.00    (#   1232:20  Resolved postSane   )
 &rst
  ixpk= 1232, nxpk= 20, iat= 481, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HA            0 AMB  20-1:1233   3.50    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   31 CYS  HB3          16 VAL  HB          3.50    (#   1234:20  Unique         2.72, 3.01 A)
 &rst
  ixpk= 1234, nxpk= 20, iat= 483, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1235     0 AMB  20-1:1235   5.00    (#   1235:20  Resolved postSane   )
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 149, 150, 149, 150,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:1236     0 AMB  20-1:1236   6.00    (#   1236:20  Resolved postSane   )
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 585, 586, 585, 586, 585, 586,
 igr2= 167, 166,
 &end
#
#   38 LYS  HD-          11 GLU  HG1         5.00    (#   1237:20  Resolved postSane   )
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:1238     0 AMB  20-1:1238   3.50    (#   1238:20  Resolved postSane   )
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 589, 588,
 igr2= 167, 166,
 &end
#
#   30 LEU  MDY           0 AMB  20-1:1239   2.70    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 167, 166,
 &end
#
#   16 VAL  MG1          16 VAL  HB          2.70    (#   1240:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          16 VAL  HB          3.50    (#   1241:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1255    45 VAL  HB          5.00    (#   1255:20  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 749, 333,
 &end
#
#   45 VAL  HN           45 VAL  HB          3.50    (#   1256:20  Unique         3.49, 3.50 A)
 &rst
  ixpk= 1256, nxpk= 20, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HN           45 VAL  HB          3.50    (#   1257:20  Unique         2.72, 2.76 A)
 &rst
  ixpk= 1257, nxpk= 20, iat= 717, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HD1          45 VAL  HB          5.00    (#   1258:20  Unique         4.89, 5.01 A)
 &rst
  ixpk= 1258, nxpk= 20, iat= 747, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           45 VAL  HB          6.00    (#   1259:20  Unique         5.56, 5.60 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 686, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 VAL  HA           45 VAL  HB          3.50    (#   1260:20  Unique         2.69, 2.72 A)
 &rst
  ixpk= 1260, nxpk= 20, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HB+          45 VAL  HB          6.00    (#   1261:20  Unique         4.10, 5.03 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 337, 338,
 &end
#
#   23 THR  HG21         45 VAL  HB          5.00    (#   1262:20  Unique         4.85, 4.89 A)
 &rst
  ixpk= 1262, nxpk= 20, iat= 366, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  MG2          45 VAL  HB          2.70    (#   1263:20  Resolved postSane   )
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 711, 712, 713,
 &end
#
#   24 VAL  HN           24 VAL  HB          2.70    (#   1264:20  Unique         1.97, 2.03 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HN           24 VAL  HB          3.50    (#   1265:20  Unique         3.19, 3.23 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 390, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           24 VAL  HB          6.00    (#   1266:20  Unique         3.37, 3.42 A)
 &rst
  ixpk= 1266, nxpk= 20, iat= 360, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HA           24 VAL  HB          3.50    (#   1267:20  Unique         2.31, 2.33 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          24 VAL  HB          5.00    (#   1268:20  Unique         3.94, 4.08 A)
 &rst
  ixpk= 1268, nxpk= 20, iat= 649, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 HIS  HB3          24 VAL  HB          3.50    (#   1269:20  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1269, nxpk= 20, iat= 650, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 MET  HG1          24 VAL  HB          5.00    (#   1270:20  Unique edited  5.04, 5.09 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 692, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 VAL  MG1          24 VAL  HB          2.70    (#   1271:20  Unique         1.98, 2.43 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          24 VAL  HB          2.70    (#   1272:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 384, 385, 386,
 &end
#
#    7 TYR  HN            6 VAL  HB          5.00    (#   1289:20  Unique         3.93, 4.11 A)
 &rst
  ixpk= 1289, nxpk= 20, iat= 100,  88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 VAL  HN            6 VAL  HB          3.50    (#   1290:20  Unique         1.87, 1.96 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  84,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HE            6 VAL  HB          5.00    (#   1291:20  Unique         2.99, 5.23 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  74,  78,
 &end
#
#    5 PHE  HD            6 VAL  HB          6.00    (#   1292:20  Unique         2.65, 4.79 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  72,  80,
 &end
#
#    0 AMB  20-2:1294     6 VAL  HB          5.00    (#   1294:20  Resolved postSane   )
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  13,  66,
 &end
#
#    0 AMB  20-2:1295     6 VAL  HB          6.00    (#   1295:20  NMR Lookup Data     )
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  50,  51, 227, 228, 227, 228,
 &end
#
#    3 ASP  HB-           6 VAL  HB          5.00    (#   1296:20  Unique         2.05, 2.90 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  32,  33,
 &end
#
#    6 VAL  MG2           6 VAL  HB          2.70    (#   1297:20  Resolved postSane   )
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1=  94,  95,  96,
 &end
#
#   44 MET  HN           44 MET  HG1         3.50    (#   1298:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 1298, nxpk= 20, iat= 684, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           44 MET  HG1         5.00    (#   1299:20  Unique         3.78, 3.84 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 360, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HN           44 MET  HG1         6.00    (#   1300:20  Unique         4.35, 4.40 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 350, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 HIS  HD2          44 MET  HG1         6.00    (#   1301:20  Unique         4.09, 4.32 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 627, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          44 MET  HG1         6.00    (#   1302:20  Unique         6.15, 6.18 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 346, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1303    44 MET  HG1         5.00    (#   1303:20  Resolved postSane   )
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   44 MET  HA           44 MET  HG1         3.50    (#   1304:20  Unique         2.56, 2.61 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 686, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HA           44 MET  HG1         3.50    (#   1305:20  Unique         2.40, 2.44 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 352, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB-          44 MET  HG1         5.00    (#   1307:20  Unique         4.30, 4.67 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   44 MET  ME           44 MET  HG1         3.50    (#   1308:20  Unique         3.53, 3.91 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1309    44 MET  HG1         5.00    (#   1309:20  Resolved postSane   )
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 370, 366,
 &end
#
#    0 AMB  20-2:1310    44 MET  HG1         6.00    (#   1310:20  NMR Lookup Data     )
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 721,
 &end
#
#    0 AMB  20-2:1311     0 AMB  20-1:1311   5.00    (#   1311:20  Double Ambig)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 309, 460,
 igr2= 289, 290, 289, 290,
 &end
#
#   19 ARG  HN           19 ARG  HB+         6.00    (#   1312:20  Resolved postSane   )
 &rst
  ixpk= 1312, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1313     0 AMB  20-1:1313   3.50    (#   1313:20  Resolved postSane   )
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 287, 481,
 igr2= 289, 290, 289, 290,
 &end
#
#    0 AMB  20-2:1314     0 AMB  20-1:1314   6.00    (#   1314:20  NMR Lookup Data     )
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 104, 313,
 igr2= 289, 290, 289, 290,
 &end
#
#   19 ARG  HD-          19 ARG  HB+         3.50    (#   1315:20  Unique         2.10, 2.57 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   19 ARG  HD+          19 ARG  HB+         3.50    (#   1316:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   16 VAL  MG2          19 ARG  HB+         3.50    (#   1317:20  Unique         2.17, 3.33 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1318    19 ARG  HB-         3.50    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 309, 460,
 igr2= 289, 290,
 &end
#
#   19 ARG  HN           19 ARG  HB-         5.00    (#   1319:20  Resolved postSane   )
 &rst
  ixpk= 1319, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1320    19 ARG  HB-         3.50    (#   1320:20  Resolved postSane   )
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 287, 481,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1321    19 ARG  HB-         5.00    (#   1321:20  NMR Lookup Data     )
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 313,
 igr2= 289, 290,
 &end
#
#   19 ARG  HD-          19 ARG  HB-         3.50    (#   1322:20  Unique         2.10, 2.57 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   19 ARG  HD+          19 ARG  HB-         3.50    (#   1323:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   16 VAL  MG2          19 ARG  HB-         3.50    (#   1324:20  Unique         2.17, 3.33 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252,
 igr2= 289, 290,
 &end
#
#   44 MET  HN           43 LYS  HB2         5.00    (#   1325:20  Unique         4.16, 4.20 A)
 &rst
  ixpk= 1325, nxpk= 20, iat= 684, 666, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           43 LYS  HB2         3.50    (#   1326:20  Unique         2.48, 2.54 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 662, 666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LYS  HA           43 LYS  HB2         3.50    (#   1327:20  Unique         2.43, 2.48 A)
 &rst
  ixpk= 1327, nxpk= 20, iat= 664, 666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1328    43 LYS  HB2         5.00    (#   1328:20  NMR Lookup Data     )
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 675, 676,
 &end
#
#   43 LYS  HG+          43 LYS  HB2         2.70    (#   1329:20  Unique         2.35, 2.37 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 669, 670,
 &end
#
#   24 VAL  MG1          43 LYS  HB2         5.00    (#   1330:20  Unique         4.67, 5.73 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   44 MET  HN           43 LYS  HB3         5.00    (#   1331:20  Unique         3.99, 4.05 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 684, 667, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           43 LYS  HB3         3.50    (#   1332:20  Unique         2.66, 2.73 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 662, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LYS  HA           43 LYS  HB3         3.50    (#   1333:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1333, nxpk= 20, iat= 664, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1334    43 LYS  HB3         3.50    (#   1334:20  NMR Lookup Data     )
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 676,
 &end
#
#    0 AMB  20-2:1335    43 LYS  HB3         3.50    (#   1335:20  Resolved postSane   )
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 370, 670,
 &end
#
#   24 VAL  MG1          43 LYS  HB3         5.00    (#   1336:20  Unique         3.73, 4.68 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   47 TRP  HN           46 LYS  HB2         5.00    (#   1347:20  Unique         3.62, 3.65 A)
 &rst
  ixpk= 1347, nxpk= 20, iat= 739, 721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HN           46 LYS  HB2         3.50    (#   1348:20  Unique         3.23, 3.28 A)
 &rst
  ixpk= 1348, nxpk= 20, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HE+          46 LYS  HB2         5.00    (#   1350:20  Resolved postSane   )
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#   46 LYS  HG-          46 LYS  HB2         3.50    (#   1351:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HB2         3.50    (#   1352:20  Unique         2.12, 2.19 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HN           46 LYS  HB3         5.00    (#   1361:20  Unique         3.58, 3.61 A)
 &rst
  ixpk= 1361, nxpk= 20, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HA           46 LYS  HB3         6.00    (#   1362:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1362, nxpk= 20, iat= 719, 722, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 LYS  HG-          46 LYS  HB3         5.00    (#   1364:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HB3         5.00    (#   1365:20  Unique         2.78, 2.86 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   11 GLU  HN           11 GLU  HB2         5.00    (#   1369:20  Unique         2.46, 2.50 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HN           11 GLU  HB2         3.50    (#   1370:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 1370, nxpk= 20, iat= 174, 163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           11 GLU  HB2         6.00    (#   1371:20  Unique         4.83, 4.88 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 184, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GLU  HA           11 GLU  HB2         3.50    (#   1372:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB2          11 GLU  HB2         5.00    (#   1373:20  Resolved postSane   )
 &rst
  ixpk= 1373, nxpk= 20, iat= 527, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HB-          11 GLU  HB2         5.00    (#   1375:20 edited  Resolved postSane   )
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 178,
 &end
#
#    0 AMB  20-2:1376    11 GLU  HB2         6.00    (#   1376:20  NMR Lookup Data     )
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 591, 592, 194, 195,
 &end
#
#    0 AMB  20-2:1377    11 GLU  HB2         5.00    (#   1377:20  NMR Lookup Data     )
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 589, 467, 588,
 &end
#
#   30 LEU  MDY          11 GLU  HB2         3.50    (#   1378:20  Unique         2.57, 2.77 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   11 GLU  HN           11 GLU  HB3         3.50    (#   1379:20  Unique         3.70, 3.74 A)
 &rst
  ixpk= 1379, nxpk= 20, iat= 159, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           11 GLU  HB3         3.50    (#   1380:20  Unique         3.49, 3.55 A)
 &rst
  ixpk= 1380, nxpk= 20, iat= 174, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 THR  HN           17 GLU  HB+         5.00    (#   1381:20  Unique         1.88, 3.20 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 260, 261,
 &end
#
#    0 AMB  20-2:1382     0 AMB  20-1:1382   3.50    (#   1382:20  NMR Lookup Data     )
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 258, 161,
 igr2= 260, 261, 164,
 &end
#
#    5 PHE  HB+          17 GLU  HB+         5.00    (#   1383:20  Unique         3.00, 4.97 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  68,  69,
 igr2= 260, 261,
 &end
#
#   34 CYS  HB3          11 GLU  HB3         3.50    (#   1384:20  Unique         4.23, 4.36 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 526, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1387     0 AMB  20-1:1387   5.00    (#   1387:20  Resolved postSane   )
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
 igr1= 800, 801, 800, 801, 591,
 igr2= 260, 261, 260, 261, 164,
 &end
#
#    0 AMB  20-2:1388    11 GLU  HB3         6.00    (#   1388:20  Resolved postSane   )
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 589, 588,
 &end
#
#   30 LEU  MDY          11 GLU  HB3         3.50    (#   1389:20  Unique         3.91, 4.15 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  20-2:1390     0 AMB  20-1:1390   6.00    (#   1390:20  NMR Lookup Data     )
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 277, 278, 279, 469, 470, 471,
 igr2= 260, 261, 164,
 &end
#
#   26 GLU  HN            0 AMB  20-1:1391   3.50    (#   1391:20  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1392     0 AMB  20-1:1392   5.00    (#   1392:20  NMR Lookup Data     )
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 429, 417,
 igr2= 404, 405, 404, 405, 404, 405,
 &end
#
#   26 GLU  HA            0 AMB  20-1:1393   2.70    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 404, 405, 404, 405,
 &end
#
#   25 CYS  HB+          26 GLU  HB-         5.00    (#   1394:20  Resolved postSane   )
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 395, 394,
 igr2= 404, 405,
 &end
#
#   27 ASP  HB2           0 AMB  20-1:1395   5.00    (#   1395:20  Resolved postSane   )
 &rst
  ixpk= 1395, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1396     0 AMB  20-1:1396   2.70    (#   1396:20  NMR Lookup Data     )
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 407, 408,
 igr2= 404, 405, 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1397     2 GLN  HB+         5.00    (#   1397:20  NMR Lookup Data     )
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  23,  24, 110,
 igr2=  15,  16,
 &end
#
#    2 GLN  HA            2 GLN  HB+         5.00    (#   1398:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  15,  16,
 &end
#
#    0 AMB  20-2:1399     2 GLN  HB-         5.00    (#   1399:20  NMR Lookup Data     )
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  23,  24, 110,
 igr2=  15,  16,
 &end
#
#    2 GLN  HA            2 GLN  HB-         5.00    (#   1400:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  15,  16,
 &end
#
#    5 PHE  HN            0 AMB  20-1:1407   6.00    (#   1407:20  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  44,  45,  44,  45,
 &end
#
#    4 ARG  HA            0 AMB  20-1:1408   5.00    (#   1408:20  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  44,  45,  44,  45,
 &end
#
#    0 AMB  20-2:1409     0 AMB  20-1:1409   3.50    (#   1409:20  NMR Lookup Data     )
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  50,  51,
 igr2=  44,  45,  44,  45,  44,  45,
 &end
#
#    0 AMB  20-2:1413     0 AMB  20-1:1413   5.00    (#   1413:20  NMR Lookup Data     )
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 719, 766,
 igr2= 728, 727,
 &end
#
#   46 LYS  HB3           0 AMB  20-1:1417   2.70    (#   1417:20  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 727, 728,
 &end
#
#   46 LYS  HG+           0 AMB  20-1:1419   5.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 725,
 igr2= 727, 728,
 &end
#
#   20 TRP  HE1           0 AMB  20-1:1420   6.00    (#   1420:20  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 727, 728,
 &end
#
#   49 LEU  HN           46 LYS  HD+         5.00    (#   1421:20 edited  Resolved postSane   )
 &rst
  ixpk= 1421, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 727, 728,
 &end
#
#   20 TRP  HH2          46 LYS  HD-         5.00    (#   1422:20  Unique         2.71, 2.93 A)
 &rst
  ixpk= 1422, nxpk= 20, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 727, 728,
 &end
#
#   20 TRP  HZ2           0 AMB  20-1:1424   6.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:1426     0 AMB  20-1:1426   6.00    (#   1426:20  Resolved postSane   )
 &rst
  ixpk= 1426, nxpk= 20, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 728, 727,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   3.50    (#   1427:20  NMR Lookup Data     )
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 730, 731,
 igr2= 728, 727,
 &end
#
#   46 LYS  HG-           0 AMB  20-1:1428   2.70    (#   1428:20  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 724, 725,
 igr2= 728, 727,
 &end
#
#   13 LYS  HN           13 LYS  HB2         5.00    (#   1429:20  Unique         3.62, 3.76 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HA           13 LYS  HB2         3.50    (#   1430:20  Unique         3.01, 3.04 A)
 &rst
  ixpk= 1430, nxpk= 20, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HD+          13 LYS  HB2         5.00    (#   1432:20  Resolved postSane   )
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 194, 195,
 &end
#
#   13 LYS  HG-          13 LYS  HB2         3.50    (#   1433:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 191, 192,
 &end
#
#    8 THR  MG2          13 LYS  HB2         6.00    (#   1434:20  Unique         5.51, 6.28 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 127, 128, 129,
 &end
#
#   13 LYS  HN           13 LYS  HB3         5.00    (#   1435:20  Unique         4.04, 4.10 A)
 &rst
  ixpk= 1435, nxpk= 20, iat= 184, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HA           13 LYS  HB3         3.50    (#   1436:20  Unique         2.33, 2.43 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 186, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1438    13 LYS  HB3         5.00    (#   1438:20  NMR Lookup Data     )
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 194, 195,
 &end
#
#   13 LYS  HG-          13 LYS  HB3         5.00    (#   1439:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
#    8 THR  MG2          13 LYS  HB3         6.00    (#   1440:20  Unique         4.45, 5.28 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 127, 128, 129,
 &end
#
#   20 TRP  HE1          32 ILE  HG1+        6.00    (#   1441:20  Unique         3.24, 3.64 A)
 &rst
  ixpk= 1441, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   32 ILE  HN           32 ILE  HG1+        3.50    (#   1442:20  Unique         1.93, 2.81 A)
 &rst
  ixpk= 1442, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   33 ASN  HN           32 ILE  HG1+        5.00    (#   1443:20  Unique         3.90, 4.42 A)
 &rst
  ixpk= 1443, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#   18 THR  HN           32 ILE  HG1+        5.00    (#   1444:20  Unique         4.04, 4.91 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#   20 TRP  HD1          32 ILE  HG1+        5.00    (#   1445:20  Resolved postSane   )
 &rst
  ixpk= 1445, nxpk= 20, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:1446    32 ILE  HG1+        6.00    (#   1446:20  NMR Lookup Data     )
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 287, 481,
 igr2= 499, 500,
 &end
#
#   33 ASN  HA           32 ILE  HG1+        6.00    (#   1447:20  Unique         6.19, 6.36 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   18 THR  HB           32 ILE  HG1+        3.50    (#   1449:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 1449, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:1450     0 AMB  20-1:1450   3.50    (#   1450:20  Resolved postSane   )
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 198, 197,
 igr2= 194, 195,
 &end
#
#   20 TRP  HE1          32 ILE  HG1-        5.00    (#   1451:20  Unique         3.24, 3.64 A)
 &rst
  ixpk= 1451, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#   32 ILE  HN           32 ILE  HG1-        3.50    (#   1452:20  Unique         1.93, 2.81 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   33 ASN  HN           32 ILE  HG1-        6.00    (#   1453:20  Unique         3.90, 4.42 A)
 &rst
  ixpk= 1453, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   20 TRP  HD1          32 ILE  HG1-        6.00    (#   1454:20  Resolved postSane   )
 &rst
  ixpk= 1454, nxpk= 20, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:1455    32 ILE  HG1-        6.00    (#   1455:20  NMR Lookup Data     )
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 287, 481,
 igr2= 499, 500,
 &end
#
#   18 THR  HB           32 ILE  HG1-        3.50    (#   1456:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   31 CYS  HB3          32 ILE  HG1-        6.00    (#   1457:20  Resolved postSane   )
 &rst
  ixpk= 1457, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   32 ILE  HB           32 ILE  HG1-        3.50    (#   1458:20  Unique         2.31, 2.42 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   32 ILE  MD1          32 ILE  HG1-        3.50    (#   1460:20  Resolved postSane   )
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 502, 503, 504,
 igr2= 499, 500,
 &end
#
#   30 LEU  HN           30 LEU  HG          5.00    (#   1471:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 460, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 TYR  HE2          30 LEU  HG          5.00    (#   1472:20  Unique         2.23, 2.32 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 442, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           30 LEU  HG          5.00    (#   1473:20  Unique         3.04, 3.07 A)
 &rst
  ixpk= 1473, nxpk= 20, iat= 462, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1474    30 LEU  HG          5.00    (#   1474:20  NMR Lookup Data     )
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 536, 313, 314,
 &end
#
#   44 MET  ME           30 LEU  HG          5.00    (#   1475:20  Resolved postSane   )
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#   49 LEU  HN           49 LEU  HG          5.00    (#   1476:20  Unique         2.16, 2.80 A)
 &rst
  ixpk= 1476, nxpk= 20, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HN           49 LEU  HG          6.00    (#   1477:20  Unique         2.72, 3.56 A)
 &rst
  ixpk= 1477, nxpk= 20, iat= 763, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HD2          49 LEU  HG          6.00    (#   1478:20  Unique         5.78, 6.09 A)
 &rst
  ixpk= 1478, nxpk= 20, iat= 117, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HA           49 LEU  HG          3.50    (#   1479:20  Unique         3.21, 3.40 A)
 &rst
  ixpk= 1479, nxpk= 20, iat= 772, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1480    49 LEU  HG          6.00    (#   1480:20  Resolved postSane   )
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 766,  42,
 &end
#
#   30 LEU  MDX          30 LEU  HG          2.70    (#   1481:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    4 ARG  HA            0 AMB  20-1:1484   3.50    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  48,  47,
 &end
#
#    0 AMB  20-2:1485     0 AMB  20-1:1485   2.70    (#   1485:20  NMR Lookup Data     )
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  50, 743, 744,  51,
 igr2=  48, 292,
 &end
#
#    0 AMB  20-2:1486    19 ARG  HG-         5.00    (#   1486:20  Single Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 309, 460,
 igr2= 292, 293,
 &end
#
#   19 ARG  HN           19 ARG  HG-         5.00    (#   1487:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   19 ARG  HA           19 ARG  HG-         5.00    (#   1489:20  Resolved postSane   )
 &rst
  ixpk= 1489, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB+          19 ARG  HG-         5.00    (#   1490:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB-          19 ARG  HG-         5.00    (#   1491:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#    0 AMB  20-2:1492    19 ARG  HG-         3.50    (#   1492:20  NMR Lookup Data     )
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 105, 295,
 igr2= 292, 293,
 &end
#
#   19 ARG  HD+          19 ARG  HG-         3.50    (#   1493:20  Unique         2.51, 2.57 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   16 VAL  MG2          19 ARG  HG-         5.00    (#   1494:20  Unique         4.07, 4.89 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 250, 251, 252,
 igr2= 292, 293,
 &end
#
#    0 AMB  20-2:1495    19 ARG  HG+         6.00    (#   1495:20  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 309, 460,
 igr2= 292, 293,
 &end
#
#   19 ARG  HN           19 ARG  HG+         5.00    (#   1496:20  Resolved postSane   )
 &rst
  ixpk= 1496, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   19 ARG  HA           19 ARG  HG+         5.00    (#   1498:20  Resolved postSane   )
 &rst
  ixpk= 1498, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB+          19 ARG  HG+         5.00    (#   1499:20  Unique         2.90, 3.91 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB-          19 ARG  HG+         5.00    (#   1500:20  Resolved postSane   )
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#   19 ARG  HD-          19 ARG  HG+         3.50    (#   1501:20  Resolved postSane   )
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   19 ARG  HD+          19 ARG  HG+         3.50    (#   1502:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   16 VAL  MG2          19 ARG  HG+         5.00    (#   1503:20  Unique         5.12, 5.57 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 250, 251, 252,
 igr2= 292, 293,
 &end
#
#   44 MET  HN           43 LYS  HG-         5.00    (#   1516:20  Unique         2.95, 3.04 A)
 &rst
  ixpk= 1516, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   43 LYS  HN           43 LYS  HG-         5.00    (#   1517:20  Unique         4.54, 4.59 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   43 LYS  HA           43 LYS  HG-         3.50    (#   1518:20  Unique         2.64, 2.72 A)
 &rst
  ixpk= 1518, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:1519    43 LYS  HG-         3.50    (#   1519:20  Resolved postSane   )
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 676, 675,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:1520    43 LYS  HG-         2.70    (#   1520:20  NMR Lookup Data     )
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 672, 667, 673,
 igr2= 669, 670,
 &end
#
#   44 MET  HN           43 LYS  HG+         5.00    (#   1522:20  Resolved postSane   )
 &rst
  ixpk= 1522, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   43 LYS  HN           43 LYS  HG+         5.00    (#   1523:20  Resolved postSane   )
 &rst
  ixpk= 1523, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:1524     0 AMB  20-1:1524   3.50    (#   1524:20  NMR Lookup Data     )
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 583,
 &end
#
#    0 AMB  20-2:1525    38 LYS  HG-         3.50    (#   1525:20  Resolved postSane   )
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 595, 594,
 igr2= 588, 589,
 &end
#
#    0 AMB  20-2:1526     0 AMB  20-1:1526   2.70    (#   1526:20  Resolved postSane   )
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 585, 586, 585, 586, 672, 673, 585, 586,
 igr2= 589, 670, 588,
 &end
#
#   38 LYS  HN           38 LYS  HG-         3.50    (#   1533:20  Unique         1.89, 2.21 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 588, 589,
 &end
#
#   47 TRP  HN           46 LYS  HG-         5.00    (#   1554:20  Unique         2.21, 2.34 A)
 &rst
  ixpk= 1554, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1555    46 LYS  HG-         5.00    (#   1555:20  Resolved postSane   )
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 717, 770,
 igr2= 724, 725,
 &end
#
#   46 LYS  HA           46 LYS  HG-         3.50    (#   1556:20  Resolved postSane   )
 &rst
  ixpk= 1556, nxpk= 20, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1557    46 LYS  HG-         3.50    (#   1557:20  NMR Lookup Data     )
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 730, 731,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1558    46 LYS  HG-         2.70    (#   1558:20  NMR Lookup Data     )
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 728, 277, 278, 279, 721, 727,
 igr2= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HG-         5.00    (#   1560:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#   47 TRP  HN           46 LYS  HG+         5.00    (#   1561:20  Unique         3.40, 3.52 A)
 &rst
  ixpk= 1561, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#   46 LYS  HN           46 LYS  HG+         5.00    (#   1562:20  Unique         5.04, 5.06 A)
 &rst
  ixpk= 1562, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#   46 LYS  HA           46 LYS  HG+         3.50    (#   1563:20  Resolved postSane   )
 &rst
  ixpk= 1563, nxpk= 20, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1564    46 LYS  HG+         3.50    (#   1564:20  Resolved postSane   )
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 731, 730,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1565    46 LYS  HG+         2.70    (#   1565:20  NMR Lookup Data     )
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 721, 727, 728,
 igr2= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HG+         3.50    (#   1567:20  Unique         2.78, 2.86 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 724, 725,
 &end
#
#    7 TYR  HB3           8 THR  MG2         5.00    (#   1568:20  Unique         5.63, 6.42 A)
 &rst
  ixpk= 1568, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#    7 TYR  HN            6 VAL  MG2         3.50    (#   1572:20  Unique         2.87, 3.90 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#   16 VAL  HN            6 VAL  MG2         5.00    (#   1573:20  Unique         2.95, 4.66 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  94,  95,  96,
 &end
#
#    6 VAL  HN            6 VAL  MG2         3.50    (#   1574:20  Unique         2.92, 3.72 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#   15 HIS  HD2           6 VAL  MG2         3.50    (#   1575:20  Unique edited  2.21, 4.43 A)
 &rst
  ixpk= 1575, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=  94,  95,  96,
 &end
#
#    7 TYR  HE2           6 VAL  MG2         5.00    (#   1576:20  Unique         5.19, 6.18 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  94,  95,  96,
 &end
#
#   15 HIS  HA            6 VAL  MG2         6.00    (#   1577:20  Unique         3.84, 5.80 A)
 &rst
  ixpk= 1577, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  94,  95,  96,
 &end
#
#   17 GLU  HA            6 VAL  MG2         6.00    (#   1578:20  Unique         2.18, 3.09 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  94,  95,  96,
 &end
#
#    6 VAL  HA            6 VAL  MG2         3.50    (#   1579:20  Unique         2.27, 2.91 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#    0 AMB  20-2:1580     6 VAL  MG2         5.00    (#   1580:20  Resolved postSane   )
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 227, 228, 227, 228,
 igr2=  94,  95,  96,
 &end
#
#    3 ASP  HB-           6 VAL  MG2         3.50    (#   1581:20  Unique edited  3.89, 5.15 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  32,  33,
 igr2=  94,  95,  96,
 &end
#
#    6 VAL  HB            6 VAL  MG2         3.50    (#   1582:20  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#   47 TRP  HE1          45 VAL  MG1         5.00    (#   1583:20  Unique         4.25, 5.13 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   45 VAL  HN           45 VAL  MG1         3.50    (#   1584:20  Unique         3.44, 4.12 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 707, 708, 709,
 &end
#
#   46 LYS  HN           45 VAL  MG1         5.00    (#   1585:20  Resolved postSane   )
 &rst
  ixpk= 1585, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   47 TRP  HH2          45 VAL  MG1         5.00    (#   1586:20  Unique         3.68, 4.37 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   47 TRP  HZ3          45 VAL  MG1         5.00    (#   1587:20  Unique         5.62, 6.22 A)
 &rst
  ixpk= 1587, nxpk= 20, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   47 TRP  HZ2          45 VAL  MG1         5.00    (#   1588:20  Unique         2.40, 3.43 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   44 MET  HA           45 VAL  MG1         5.00    (#   1589:20  Unique         4.51, 5.50 A)
 &rst
  ixpk= 1589, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#    0 AMB  20-2:1590    45 VAL  MG1         5.00    (#   1590:20  NMR Lookup Data     )
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 364, 362,
 igr2= 707, 708, 709,
 &end
#
#   21 HIS  HB+          45 VAL  MG1         5.00    (#   1591:20  Unique         5.58, 6.77 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 337, 338,
 igr2= 707, 708, 709,
 &end
#
#   21 HIS  HB-          45 VAL  MG1         6.00    (#   1592:20  Unique         5.58, 6.77 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 337, 338,
 igr2= 707, 708, 709,
 &end
#
#   45 VAL  HB           45 VAL  MG1         2.70    (#   1593:20  Unique         2.42, 2.69 A)
 &rst
  ixpk= 1593, nxpk= 20, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 707, 708, 709,
 &end
#
#   23 THR  HG21         45 VAL  MG1         2.70    (#   1594:20  Unique         2.80, 3.82 A)
 &rst
  ixpk= 1594, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 707, 708, 709,
 &end
#
#   24 VAL  HN           24 VAL  MG2         3.50    (#   1595:20  Unique         4.11, 4.21 A)
 &rst
  ixpk= 1595, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 384, 385, 386,
 &end
#
#   25 CYS  HN           24 VAL  MG2         3.50    (#   1596:20  Unique         2.92, 3.61 A)
 &rst
  ixpk= 1596, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 384, 385, 386,
 &end
#
#   23 THR  HN           24 VAL  MG2         6.00    (#   1597:20  Unique         5.41, 5.62 A)
 &rst
  ixpk= 1597, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 384, 385, 386,
 &end
#
#   42 HIS  HE1          24 VAL  MG2         5.00    (#   1599:20  Unique         4.38, 5.40 A)
 &rst
  ixpk= 1599, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   42 HIS  HD2          24 VAL  MG2         5.00    (#   1601:20  Unique         3.64, 4.53 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   24 VAL  HA           24 VAL  MG2         2.70    (#   1604:20  Unique         2.35, 3.10 A)
 &rst
  ixpk= 1604, nxpk= 20, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 384, 385, 386,
 &end
#
#   42 HIS  HB3          24 VAL  MG2         5.00    (#   1605:20  Unique         2.04, 2.85 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   24 VAL  HB           24 VAL  MG2         2.70    (#   1607:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 384, 385, 386,
 &end
#
#   13 LYS  HN           13 LYS  HG-         5.00    (#   1612:20  Unique         3.41, 4.11 A)
 &rst
  ixpk= 1612, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 191, 192,
 &end
#
#   13 LYS  HN           13 LYS  HG+         5.00    (#   1613:20  Unique         3.64, 4.20 A)
 &rst
  ixpk= 1613, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 191, 192,
 &end
#
#   13 LYS  HB2          13 LYS  HG-         3.50    (#   1614:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 191, 192,
 &end
#
#   16 VAL  HN           16 VAL  HA          5.00    (#   1628:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1629    16 VAL  HA          5.00    (#   1629:20  Resolved postSane   )
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 227, 228, 227, 228,
 &end
#
#   12 CYS  HB-          12 CYS  HA          5.00    (#   1630:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#   16 VAL  HB           16 VAL  HA          3.50    (#   1631:20  Unique         2.47, 2.53 A)
 &rst
  ixpk= 1631, nxpk= 20, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  MG1          16 VAL  HA          3.50    (#   1632:20  Unique         2.57, 3.20 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          16 VAL  HA          3.50    (#   1633:20  Unique         3.77, 4.01 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1634     8 THR  HA          2.70    (#   1634:20  Resolved postSane   )
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 135, 240,
 &end
#
#    8 THR  HB            8 THR  HA          5.00    (#   1635:20  Unique         2.64, 2.76 A)
 &rst
  ixpk= 1635, nxpk= 20, iat= 125, 123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  MG2           8 THR  HA          3.50    (#   1636:20  Unique         2.38, 2.86 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#   16 VAL  MG2           8 THR  HA          5.00    (#   1637:20  Unique         2.33, 3.53 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   31 CYS  HN           31 CYS  HA          5.00    (#   1638:20  Unique         2.88, 2.90 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 479, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HN           31 CYS  HA          2.70    (#   1639:20  Unique         2.22, 2.26 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 489, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HN            7 TYR  HA          3.50    (#   1640:20  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 121, 102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          31 CYS  HA          2.70    (#   1641:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 484, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HB3          31 CYS  HA          2.70    (#   1642:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    7 TYR  HB3           7 TYR  HA          5.00    (#   1643:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 105, 102, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1644    31 CYS  HA          6.00    (#   1644:20  Resolved postSane   )
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 289, 290, 289, 290, 499, 500,
 &end
#
#    0 AMB  20-2:1645    31 CYS  HA          3.50    (#   1645:20  Resolved postSane   )
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 502, 503, 504, 246, 247, 248,
 &end
#
#   16 VAL  MG2          31 CYS  HA          3.50    (#   1646:20  Unique         2.63, 3.69 A)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#   21 HIS  HN           20 TRP  HA          5.00    (#   1647:20  Unique         2.18, 2.23 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 333, 311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HN           20 TRP  HA          6.00    (#   1648:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 309, 311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 TRP  HN           19 ARG  HA          3.50    (#   1654:20  Unique         2.25, 2.36 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 309, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1655    19 ARG  HA          2.70    (#   1655:20  NMR Lookup Data     )
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 289, 290, 289, 290,
 &end
#
#   24 VAL  HN           42 HIS  HB2         6.00    (#   1672:20  Unique         5.03, 5.06 A)
 &rst
  ixpk= 1672, nxpk= 20, iat= 374, 649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 LYS  HN           12 CYS  HB+         5.00    (#   1675:20  Unique         2.84, 3.44 A)
 &rst
  ixpk= 1675, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 179, 178,
 &end
#
#   46 LYS  HA           20 TRP  HA          3.50    (#   1676:20  Unique         2.06, 2.20 A)
 &rst
  ixpk= 1676, nxpk= 20, iat= 719, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB3           9 CYS  HB3         3.50    (#   1677:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 483, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB+          25 CYS  HB-         5.00    (#   1937:20  Unique         2.02, 2.67 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 355, 354,
 igr2= 395, 394,
 &end
#
#   22 CYS  HB+          25 CYS  HB+         3.50    (#   1938:20  Unique         2.02, 2.67 A)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 355, 354,
 igr2= 395, 394,
 &end
#
#   28 TYR  HB2          25 CYS  HB+         2.70    (#   1939:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 1939, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 395, 394,
 &end
#
#   25 CYS  HA           25 CYS  HB-         3.50    (#   1941:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 1941, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#   30 LEU  HB3          19 ARG  HB-         5.00    (#   1944:20  Unique edited  5.20, 6.00 A)
 &rst
  ixpk= 1944, nxpk= 20, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 289, 290,
 &end
#
#   43 LYS  HG-          43 LYS  HB3         3.50    (#   1946:20  Unique         2.57, 2.62 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#   43 LYS  HG-          43 LYS  HB2         3.50    (#   1947:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#   19 ARG  HG+          19 ARG  HB+         3.50    (#   1948:20  Unique         2.50, 2.81 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 289, 290,
 &end
#
#   19 ARG  HG+          19 ARG  HB-         2.70    (#   1949:20  Unique         2.50, 2.81 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 292, 293,
 igr2= 289, 290,
 &end
#
#   20 TRP  HA            0 AMB  20-1:1950   5.00    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#    0 AMB  20-2:1951    24 VAL  HA          5.00    (#   1951:20  NMR Lookup Data     )
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 362, 352,
 &end
#
#   28 TYR  HB2          22 CYS  HB+         5.00    (#   1952:20  Unique         3.38, 3.67 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#   28 TYR  HB2          22 CYS  HB-         3.50    (#   1953:20  Unique         3.38, 3.67 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:1954     0 AMB  20-1:1954   5.00    (#   1954:20  NMR Lookup Data     )
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
 igr1= 649, 484, 607, 608, 607, 608, 607, 608, 635,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211, 618, 619,
       618, 619,
 &end
#
#   42 HIS  HD2          42 HIS  HB2         5.00    (#   1955:20  Unique         3.90, 3.92 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 658, 649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HB+           9 CYS  HB3         5.00    (#   1956:20  Unique         2.23, 3.20 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#   37 THR  HN           36 ASN  HA          5.00    (#   1957:20  Unique         3.55, 3.62 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 567, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HA            0 AMB  20-1:1962   5.00    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 675, 676,
 &end
#
#    0 AMB  20-2:1963     0 AMB  20-1:1963   5.00    (#   1963:20  Resolved postSane   )
 &rst
  ixpk= 1963, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 675, 676,
 &end
#
#   45 VAL  HA            0 AMB  20-1:1964   6.00    (#   1964:20  Single Ambig)
 &rst
  ixpk= 1964, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 675,
 &end
#
#   43 LYS  HG-           0 AMB  20-1:1965   2.70    (#   1965:20  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 669, 670,
 igr2= 676, 675,
 &end
#
#   25 CYS  HN           28 TYR  HB2         6.00    (#   1966:20  Unique         5.09, 5.17 A)
 &rst
  ixpk= 1966, nxpk= 20, iat= 390, 431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          28 TYR  HB3         6.00    (#   1968:20  Unique         4.56, 4.94 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 346, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          28 TYR  HB2         6.00    (#   1969:20  Unique         5.58, 5.83 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 346, 431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HE2           3 ASP  HB-         5.00    (#   1970:20  Unique edited  5.20, 5.94 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:1972     7 TYR  HB2         5.00    (#   1972:20  Resolved postSane   )
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 236, 747,
 &end
#
#    0 AMB  20-2:1973     7 TYR  HB3         5.00    (#   1973:20  NMR Lookup Data     )
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 747, 236,
 &end
#
#    0 AMB  20-2:1975     7 TYR  HB2         6.00    (#   1975:20  Resolved postSane   )
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 110, 115,
 &end
#
#    0 AMB  20-2:1976     7 TYR  HB3         6.00    (#   1976:20  NMR Lookup Data     )
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  23,  24, 110, 115,
 &end
#
#    0 AMB  20-2:1977     0 AMB  20-1:1977   6.00    (#   1977:20  NMR Lookup Data     )
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=  72,  80, 326, 236,
 igr2=  32,  33, 731,  32,  33,
 &end
#
#    0 AMB  20-2:1978     0 AMB  20-1:1978   5.00    (#   1978:20  Resolved postSane   )
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 324,  74,  78,
 igr2= 731,  32,  33, 730,
 &end
#
#   37 THR  MG2          36 ASN  HB2         5.00    (#   1979:20  Unique         3.67, 5.24 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   35 TYR  HN            0 AMB  20-1:1980   3.50    (#   1980:20  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 537, 536,
 &end
#
#   36 ASN  HN           35 TYR  HB3         5.00    (#   1981:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 1981, nxpk= 20, iat= 553, 537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HE1           0 AMB  20-1:1982   6.00    (#   1982:20  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 537, 536,
 &end
#
#   36 ASN  HD2+         36 ASN  HB2         5.00    (#   1983:20  Unique         2.21, 3.18 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#   36 ASN  HD2+         36 ASN  HB3         5.00    (#   1984:20  Unique         3.43, 3.83 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#   38 LYS  HG-          37 THR  HA          5.00    (#   1985:20  Resolved postSane   )
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   30 LEU  HB3          34 CYS  HB2         3.50    (#   1986:20  Unique         2.84, 2.94 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  HN            0 AMB  20-1:1987   5.00    (#   1987:20  Single Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  20-2:1988     0 AMB  20-1:1988   3.50    (#   1988:20  NMR Lookup Data     )
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 208, 616,
 igr2= 210, 211, 210, 211, 618, 619, 618, 619,
 &end
#
#   40 HIS  HD2           0 AMB  20-1:1989   5.00    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 618, 619, 618, 619,
 &end
#
#   19 ARG  HG+          47 TRP  HB+         5.00    (#   1990:20  Unique         2.90, 3.91 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#   47 TRP  HD1          47 TRP  HB+         5.00    (#   1991:20  Resolved postSane   )
 &rst
  ixpk= 1991, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   28 TYR  HE2          35 TYR  HA          5.00    (#   1993:20  Unique edited  5.07, 5.14 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 442, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HB2          35 TYR  HA          5.00    (#   1994:20  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 464, 534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HD2          22 CYS  HB-         5.00    (#   1996:20  Unique         3.34, 3.70 A)
 &rst
  ixpk= 1996, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:1997     6 VAL  HA          6.00    (#   1997:20  NMR Lookup Data     )
 &rst
  ixpk= 1997, nxpk= 20, iat= 236,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          28 TYR  HA          6.00    (#   2001:20  Unique         5.13, 5.24 A)
 &rst
  ixpk= 2001, nxpk= 20, iat= 346, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HB2          28 TYR  HA          3.50    (#   2002:20  Unique         2.47, 2.50 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HE            5 PHE  HA          6.00    (#   2003:20  Unique         6.13, 6.34 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  74,  78,
 &end
#
#    5 PHE  HD            5 PHE  HA          5.00    (#   2004:20  Unique         4.00, 4.23 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  72,  80,
 &end
#
#    0 AMB  20-2:2005     0 AMB  20-1:2005   5.00    (#   2005:20  NMR Lookup Data     )
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 562, 563, 184,
 igr2= 510, 208,
 &end
#
#   50 GLY  HN           49 LEU  HA          5.00    (#   2006:20  Unique         2.24, 2.41 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 789, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 GLN  HG+           2 GLN  HA          6.00    (#   2007:20  Unique         2.42, 3.32 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  18,  19,
 &end
#
#   27 ASP  HN           27 ASP  HA          2.70    (#   2008:20  Unique         2.14, 2.23 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    6 VAL  MG2          17 GLU  HA          6.00    (#   2009:20  Unique         2.18, 3.09 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  94,  95,  96,
 &end
#
#   34 CYS  HB3          30 LEU  HA          6.00    (#   2010:20  Unique         3.97, 4.07 A)
 &rst
  ixpk= 2010, nxpk= 20, iat= 526, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HB3          37 THR  MG2         5.00    (#   2017:20  Unique         3.05, 4.34 A)
 &rst
  ixpk= 2017, nxpk= 20, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 573, 574, 575,
 &end
#
#    8 THR  HA            8 THR  MG2         3.50    (#   2019:20  Unique         2.38, 2.86 A)
 &rst
  ixpk= 2019, nxpk= 20, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   42 HIS  HD2          41 THR  MG2         5.00    (#   2020:20  Unique         4.35, 5.91 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 637, 638, 639,
 &end
#
#    0 AMB  20-2:2021     6 VAL  MG1         6.00    (#   2021:20  Resolved postSane   )
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 117, 108,
 igr2=  90,  91,  92,
 &end
#
#   47 TRP  HZ2          45 VAL  MG2         5.00    (#   2022:20  Unique         2.22, 3.29 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#   47 TRP  HH2          45 VAL  MG2         6.00    (#   2023:20  Resolved postSane   )
 &rst
  ixpk= 2023, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 711, 712, 713,
 &end
#
#   40 HIS  HD2          24 VAL  MG1         5.00    (#   2024:20  Unique         4.18, 4.78 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 380, 381, 382,
 &end
#
#    7 TYR  HA            6 VAL  MG1         3.50    (#   2026:20  Resolved postSane   )
 &rst
  ixpk= 2026, nxpk= 20, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#   45 VAL  HA           45 VAL  MG2         3.50    (#   2027:20  Unique         3.53, 3.87 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 711, 712, 713,
 &end
#
#   15 HIS  HD2          16 VAL  MG2         5.00    (#   2028:20  Unique         4.62, 5.70 A)
 &rst
  ixpk= 2028, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:2029    16 VAL  MG2         6.00    (#   2029:20  Resolved postSane   )
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 227, 228, 227, 228,
 igr2= 250, 251, 252,
 &end
#
#   28 TYR  HE2          44 MET  ME          5.00    (#   2032:20  Unique         4.04, 4.72 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   20 TRP  HE3          44 MET  ME          3.50    (#   2033:20  Unique edited  3.90, 4.78 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 695, 696, 697,
 &end
#
#   21 HIS  HD2          44 MET  ME          5.00    (#   2034:20  Unique         5.32, 5.95 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   20 TRP  HA           44 MET  ME          3.50    (#   2035:20  Unique         3.53, 4.61 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   30 LEU  MDY          44 MET  ME          5.00    (#   2036:20  Unique         5.68, 6.52 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:2037    30 LEU  HB3         3.50    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 460, 309,
 &end
#
#    0 AMB  20-2:2038    30 LEU  HB2         5.00    (#   2038:20  NMR Lookup Data     )
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 479, 522,
 &end
#
#   40 HIS  HA           44 MET  ME          6.00    (#   2039:20  Unique         6.11, 6.89 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 695, 696, 697,
 &end
#
#   34 CYS  HB3          30 LEU  HB3         3.50    (#   2042:20  Unique         2.95, 3.13 A)
 &rst
  ixpk= 2042, nxpk= 20, iat= 526, 465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 TRP  HE3          32 ILE  MD1         6.00    (#   2044:20  Unique         5.83, 6.23 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HA           32 ILE  MD1         5.00    (#   2045:20  Unique         4.57, 5.12 A)
 &rst
  ixpk= 2045, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:2048    29 ASP  HB3         5.00    (#   2048:20  NMR Lookup Data     )
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 289, 290, 289, 290, 292,
 &end
#
#    0 AMB  20-2:2049    29 ASP  HB2         5.00    (#   2049:20  NMR Lookup Data     )
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 289, 290, 289, 290,
 &end
#
#   34 CYS  HB3           0 AMB  20-1:2051   5.00    (#   2051:20  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 167, 166,
 &end
#
#   38 LYS  HN            0 AMB  20-1:2053   3.50    (#   2053:20  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 585, 586, 585, 586,
 &end
#
#   39 SER  HN            0 AMB  20-1:2054   6.00    (#   2054:20  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 20, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 585, 586, 585, 586,
 &end
#
#   35 TYR  HA            0 AMB  20-1:2055   3.50    (#   2055:20  Single Ambig)
 &rst
  ixpk= 2055, nxpk= 20, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 585, 586, 585, 586,
 &end
#
#    0 AMB  20-2:2056     0 AMB  20-2:2056   5.00    (#   2056:20  Resolved postSane   )
#This appears to be self-referential: ignoring
#
#   11 GLU  HB3           0 AMB  20-1:2057   5.00    (#   2057:20  Single Ambig)
 &rst
  ixpk= 2057, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 585, 586, 585, 586,
 &end
#
#    0 AMB  20-2:2058     0 AMB  20-1:2058   2.70    (#   2058:20  Resolved postSane   )
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 589, 588,
 igr2= 585, 586, 585, 586, 585, 586,
 &end
#
#   30 LEU  MDX           0 AMB  20-1:2059   3.50    (#   2059:20  Single Ambig)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 585, 586, 585, 586,
 &end
#
#   30 LEU  MDY           0 AMB  20-1:2060   5.00    (#   2060:20  Single Ambig)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 585, 586, 585, 586,
 &end
#
#   38 LYS  HA            0 AMB  20-1:2061   3.50    (#   2061:20  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 585, 586, 585, 586,
 &end
#
#   38 LYS  HD+           0 AMB  20-1:2062   5.00    (#   2062:20  Single Ambig)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 591, 592,
 igr2= 585, 586, 585, 586,
 &end
#
#   45 VAL  MG1          43 LYS  HD-         5.00    (#   2064:20  Unique         5.54, 6.37 A)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 708, 709,
 igr2= 672, 673,
 &end
#
#   43 LYS  HG+           0 AMB  20-1:2065   3.50    (#   2065:20  Single Ambig)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 669, 670,
 igr2= 672, 673,
 &end
#
#   43 LYS  HA            0 AMB  20-1:2066   5.00    (#   2066:20  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 673, 672,
 &end
#
#   13 LYS  HG+          13 LYS  HB2         5.00    (#   2067:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
#   13 LYS  HG+          13 LYS  HB3         3.50    (#   2068:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 191, 192,
 &end
#
#   10 ASN  HA            0 AMB  20-1:2072   3.50    (#   2072:20  Single Ambig)
 &rst
  ixpk= 2072, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 194, 195,
 &end
#
#   32 ILE  MG2          32 ILE  HG1-        3.50    (#   2073:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 495, 496, 497,
 igr2= 499, 500,
 &end
#
#   32 ILE  MD1          32 ILE  HG1+        2.70    (#   2074:20  Resolved postSane   )
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 502, 503, 504,
 igr2= 499, 500,
 &end
#
#   32 ILE  MG2          32 ILE  HG1+        2.70    (#   2075:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 495, 496, 497,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:2077    38 LYS  HD+         3.50    (#   2077:20  Resolved postSane   )
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 585, 586, 585, 586,
 igr2= 591, 592,
 &end
#
#    0 AMB  20-2:2078     0 AMB  20-1:2078   3.50    (#   2078:20  NMR Lookup Data     )
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 188, 164,
 igr2= 195, 194, 591,
 &end
#
#   11 GLU  HG1           0 AMB  20-1:2079   5.00    (#   2079:20  Single Ambig)
 &rst
  ixpk= 2079, nxpk= 20, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 591, 592,
 &end
#
#   32 ILE  HB           32 ILE  HG1+        3.50    (#   2080:20  Unique         2.31, 2.42 A)
 &rst
  ixpk= 2080, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   13 LYS  HB3          13 LYS  HG+         3.50    (#   2091:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2091, nxpk= 20, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 191, 192,
 &end
#
#   13 LYS  HB2          13 LYS  HG+         3.50    (#   2092:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 191, 192,
 &end
#
#    0 AMB  20-2:2093     0 AMB  20-1:2093   3.50    (#   2093:20  Resolved postSane   )
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 189, 666,
 igr2= 191, 670,
 &end
#
#    0 AMB  20-2:2094    13 LYS  HG+         3.50    (#   2094:20  NMR Lookup Data     )
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 194, 195,
 igr2= 191, 192,
 &end
#
#    0 AMB  20-2:2095    13 LYS  HG+         3.50    (#   2095:20  NMR Lookup Data     )
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 197, 198,
 igr2= 191, 192,
 &end
#
#   49 LEU  HA           49 LEU  MDY         3.50    (#   2099:20  Unique         2.29, 2.99 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 779, 780, 781, 783, 784, 785,
 &end
#
#   13 LYS  HA           13 LYS  HG+         5.00    (#   2104:20  Resolved postSane   )
 &rst
  ixpk= 2104, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 191, 192,
 &end
#
#   16 VAL  HA            6 VAL  MG2         5.00    (#   2106:20  Unique         3.76, 4.75 A)
 &rst
  ixpk= 2106, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  94,  95,  96,
 &end
#
#    0 AMB  20-2:2107     6 VAL  MG2         5.00    (#   2107:20  Resolved postSane   )
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  66,  13,
 igr2=  94,  95,  96,
 &end
#
#   47 TRP  HZ2          45 VAL  MG1         6.00    (#   2108:20  Unique         2.40, 3.43 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 707, 708, 709,
 &end
#
#   45 VAL  HA           45 VAL  MG1         3.50    (#   2109:20  Unique         2.30, 2.79 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 707, 708, 709,
 &end
#
#   40 HIS  HD2          24 VAL  MG2         5.00    (#   2110:20  Unique         5.56, 6.32 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   12 CYS  HB+          12 CYS  HA          3.50    (#   2113:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 178,
 &end
#
#    0 AMB  20-2:2114     7 TYR  HA          5.00    (#   2114:20  NMR Lookup Data     )
 &rst
  ixpk= 2114, nxpk= 20, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  18,  19, 104,
 &end
#
#   11 GLU  HB3          34 CYS  HB2         5.00    (#   2117:20  Unique         5.24, 5.35 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 164, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HE3           0 AMB  20-1:2118   5.00    (#   2118:20  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 536, 537,
 &end
#
#    0 AMB  20-2:2119     0 AMB  20-1:2119   3.50    (#   2119:20  NMR Lookup Data     )
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 317, 540,
 igr2= 537, 536,
 &end
#
#    0 AMB  20-2:2122    35 TYR  HB3         3.50    (#   2122:20  NMR Lookup Data     )
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 491,
 &end
#
#    0 AMB  20-2:2123    35 TYR  HB2         3.50    (#   2123:20  Resolved postSane   )
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 464, 465,
 &end
#
#   32 ILE  MG2          35 TYR  HB3         6.00    (#   2124:20  Unique         3.66, 4.60 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 495, 496, 497,
 &end
#
#   30 LEU  MDX          35 TYR  HB2         5.00    (#   2125:20  Resolved postSane   )
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   24 VAL  HB           24 VAL  HA          3.50    (#   2126:20  Unique         2.31, 2.33 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TYR  HB2          25 CYS  HB-         3.50    (#   2129:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#   16 VAL  HN            7 TYR  HB2         6.00    (#   2130:20  Resolved postSane   )
 &rst
  ixpk= 2130, nxpk= 20, iat= 240, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2131     3 ASP  HB-         5.00    (#   2131:20  Resolved postSane   )
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  44,  45,  44,  45,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:2132    19 ARG  HD+         5.00    (#   2132:20  NMR Lookup Data     )
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 102, 123, 287, 481,
 igr2= 295, 296,
 &end
#
#   19 ARG  HA           19 ARG  HD-         5.00    (#   2133:20  Resolved postSane   )
 &rst
  ixpk= 2133, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#    5 PHE  HD            0 AMB  20-1:2134   5.00    (#   2134:20  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  80,
 igr2=  51,  50,
 &end
#
#   28 TYR  HA           29 ASP  HB2         5.00    (#   2135:20  Unique         4.91, 4.97 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 429, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 TYR  HA           29 ASP  HB3         6.00    (#   2136:20  Unique         5.42, 5.56 A)
 &rst
  ixpk= 2136, nxpk= 20, iat= 429, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 THR  HA           29 ASP  HB2         6.00    (#   2137:20  Resolved postSane   )
 &rst
  ixpk= 2137, nxpk= 20, iat= 123, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HA           29 ASP  HB3         5.00    (#   2138:20  Resolved postSane   )
 &rst
  ixpk= 2138, nxpk= 20, iat= 287, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2139     0 AMB  20-1:2139   6.00    (#   2139:20  Resolved postSane   )
 &rst
  ixpk= 2139, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 675,
 &end
#
#   45 VAL  HN           21 HIS  HA          5.00    (#   2140:20  Unique         4.73, 4.77 A)
 &rst
  ixpk= 2140, nxpk= 20, iat= 701, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA            6 VAL  HA          6.00    (#   2141:20  Unique         4.61, 5.13 A)
 &rst
  ixpk= 2141, nxpk= 20, iat= 242,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  MDY          30 LEU  HG          3.50    (#   2142:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    4 ARG  HN            4 ARG  HG+         6.00    (#   2151:20  Unique         1.94, 2.42 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  47,  48,
 &end
#
#    4 ARG  HN            4 ARG  HG+         6.00    (#   2152:20  Unique         1.94, 2.42 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  47,  48,
 &end
#
#   46 LYS  HB2          45 VAL  HA          5.00    (#   2157:20  Unique         5.22, 5.28 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 721, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2158     0 AMB  20-1:2158   3.50    (#   2158:20  NMR Lookup Data     )
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 140, 314, 536, 313,
 igr2= 462, 547, 542,
 &end
#
#   24 VAL  HN           23 THR  HG21        5.00    (#   2162:20  Unique         3.52, 3.55 A)
 &rst
  ixpk= 2162, nxpk= 20, iat= 374, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HN           10 ASN  HN          3.50    (#      1:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1, nxpk= 10, iat= 159, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HA           10 ASN  HN          2.70    (#      3:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 3, nxpk= 10, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    9 CYS  HA           10 ASN  HN          2.70    (#      4:10  Unique         2.31, 2.35 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 137, 145, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10 ASN  HB+          10 ASN  HN          2.70    (#      5:10  Unique         2.30, 2.52 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 149, 150,
 &end
#
#   29 ASP  HB3          10 ASN  HN          5.00    (#      6:10  Unique         3.67, 3.81 A)
 &rst
  ixpk= 6, nxpk= 10, iat= 453, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HB2          10 ASN  HN          5.00    (#      7:10  Unique         2.16, 2.30 A)
 &rst
  ixpk= 7, nxpk= 10, iat= 452, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HN           10 ASN  HN          5.00    (#      9:10  Resolved postSane   )
 &rst
  ixpk= 9, nxpk= 10, iat= 135, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HN           10 ASN  HN          3.50    (#     10:10  Preassigned    3.28, 3.32 A)
 &rst
  ixpk= 10, nxpk= 10, iat= 448, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:11      10 ASN  HN          6.00    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 437,
 &end
#
#   30 LEU  HA           10 ASN  HN          3.50    (#     12:10  Unique         3.07, 3.14 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 462, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:14      10 ASN  HN          6.00    (#     14:10  NMR Lookup Data     )
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 429, 161,
 &end
#
#    9 CYS  HB3          10 ASN  HN          5.00    (#     15:10  Unique         4.48, 4.52 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  MDY          10 ASN  HN          3.50    (#     18:10  Unique         3.50, 4.56 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  HG           10 ASN  HN          6.00    (#     19:10  Resolved postSane   )
 &rst
  ixpk= 19, nxpk= 10, iat= 467, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HB3          10 ASN  HN          6.00    (#     20:10  Unique         5.52, 5.61 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 465, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ASN  HB-          10 ASN  HN          2.70    (#     21:10  Unique         2.30, 2.52 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 149, 150,
 &end
#
#    0 AMB  10-2:22      10 ASN  HN          6.00    (#     22:10  NMR Lookup Data     )
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 166, 163, 296,
 &end
#
#   21 HIS  HN           47 TRP  HN          5.00    (#     23:10  Preassigned    4.07, 4.43 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 333, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ARG  HN           47 TRP  HN          3.50    (#     24:10  Preassigned    3.05, 3.20 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 285, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HN           47 TRP  HN          5.00    (#     25:10  Unique         3.64, 3.77 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 717, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HD1          47 TRP  HN          5.00    (#     27:10  Resolved postSane   )
 &rst
  ixpk= 27, nxpk= 10, iat= 747, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HA           47 TRP  HN          2.70    (#     29:10  Unique         1.94, 2.03 A)
 &rst
  ixpk= 29, nxpk= 10, iat= 719, 739, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   47 TRP  HB+          47 TRP  HN          3.50    (#     30:10  Unique         2.29, 2.98 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 743, 744,
 &end
#
#   19 ARG  HG-          47 TRP  HN          5.00    (#     33:10  Unique         3.29, 3.48 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   19 ARG  HG+          47 TRP  HN          5.00    (#     34:10  Unique         2.94, 3.32 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   46 LYS  HB2          47 TRP  HN          5.00    (#     35:10  Resolved postSane   )
 &rst
  ixpk= 35, nxpk= 10, iat= 721, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  MG2          47 TRP  HN          6.00    (#     36:10  Unique         4.91, 6.19 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 711, 712, 713,
 &end
#
#   46 LYS  HG-          47 TRP  HN          3.50    (#     37:10  Unique         2.21, 2.34 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          47 TRP  HN          3.50    (#     38:10  Unique         3.40, 3.52 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HB3          47 TRP  HN          6.00    (#     39:10  Unique         4.07, 4.13 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 722, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HN           46 LYS  HN          6.00    (#     40:10  Unique         2.29, 2.42 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 333, 717, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HN           46 LYS  HN          5.00    (#     41:10  Unique         3.64, 3.77 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 739, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HN           46 LYS  HN          5.00    (#     42:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 42, nxpk= 10, iat= 701, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HD1          46 LYS  HN          5.00    (#     44:10  Resolved postSane   )
 &rst
  ixpk= 44, nxpk= 10, iat= 747, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:46      46 LYS  HN          5.00    (#     46:10  NMR Lookup Data     )
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 752, 346,
 &end
#
#   45 VAL  HA           46 LYS  HN          3.50    (#     48:10  Unique         3.41, 3.45 A)
 &rst
  ixpk= 48, nxpk= 10, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HA           46 LYS  HN          3.50    (#     49:10  Unique         2.01, 2.06 A)
 &rst
  ixpk= 49, nxpk= 10, iat= 719, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  HB           46 LYS  HN          3.50    (#     50:10  Unique         2.72, 2.76 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 705, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HB2          46 LYS  HN          3.50    (#     51:10  Unique         3.23, 3.28 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 721, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  MG2          46 LYS  HN          3.50    (#     53:10  Unique         2.05, 3.08 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 711, 712, 713,
 &end
#
#   46 LYS  HG-          46 LYS  HN          5.00    (#     54:10  Unique         4.63, 4.72 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HN          5.00    (#     55:10  Unique         5.04, 5.06 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HN          5.00    (#     56:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 722, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HN           22 CYS  HN          5.00    (#     60:10  Unique         3.94, 4.01 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 333, 350, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 THR  HN           22 CYS  HN          6.00    (#     61:10  Resolved postSane   )
 &rst
  ixpk= 61, nxpk= 10, iat= 360, 350, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          22 CYS  HN          3.50    (#     62:10  Unique         2.41, 2.52 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HA           22 CYS  HN          3.50    (#     63:10  Unique         2.93, 3.00 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 450, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           22 CYS  HN          2.70    (#     64:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 64, nxpk= 10, iat= 335, 350, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB 10-2:67       22 CYS  HN          5.00    (#     67:10  Resolved postSane   )
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 429, 417,
 &end
#
#   22 CYS  HA           22 CYS  HN          3.50    (#     68:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 68, nxpk= 10, iat= 352, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB+          22 CYS  HN          2.70    (#     69:10  Unique         1.89, 2.57 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 355, 354,
 &end
#
#   22 CYS  HB-          22 CYS  HN          2.70    (#     70:10  Unique         1.89, 2.57 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 355, 354,
 &end
#
#    0 AMB  10-2:72      22 CYS  HN          5.00    (#     72:10  NMR Lookup Data     )
 &rst
  ixpk= 72, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 337, 338, 431, 452,
 &end
#
#    0 AMB  10-2:73      22 CYS  HN          5.00    (#     73:10  NMR Lookup Data     )
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 688, 689, 688, 689, 453,
 &end
#
#   44 MET  HG1          22 CYS  HN          5.00    (#     74:10  Unique         4.35, 4.40 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 692, 350, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  ME           22 CYS  HN          2.70    (#     75:10  Unique         2.87, 3.60 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  10-2:76      22 CYS  HN          6.00    (#     76:10  NMR Lookup Data     )
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 366, 467, 370,
 &end
#
#   47 TRP  HD1          47 TRP  HE1         2.70    (#     78:10  Unique         2.50, 2.53 A)
 &rst
  ixpk= 78, nxpk= 10, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   21 HIS  HD2          47 TRP  HE1         5.00    (#     79:10  Unique         4.66, 4.82 A)
 &rst
  ixpk= 79, nxpk= 10, iat= 346, 749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HB+          47 TRP  HE1         3.50    (#     82:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          47 TRP  HE1         5.00    (#     83:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 337, 338,
 &end
#
#   45 VAL  HB           47 TRP  HE1         3.50    (#     84:10  Unique         3.51, 3.57 A)
 &rst
  ixpk= 84, nxpk= 10, iat= 705, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  MG2          47 TRP  HE1         3.50    (#     85:10  Unique         2.18, 2.82 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 711, 712, 713,
 &end
#
#   25 CYS  HN           24 VAL  HN          2.70    (#     87:10  Unique         2.78, 2.80 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 390, 374, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   23 THR  HN           24 VAL  HN          2.70    (#     88:10  Unique         1.92, 1.95 A)
 &rst
  ixpk= 88, nxpk= 10, iat= 360, 374, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:91      24 VAL  HN          3.50    (#     91:10  NMR Lookup Data     )
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 364, 362, 352,
 &end
#
#   25 CYS  HA           24 VAL  HN          6.00    (#     92:10  Unique         5.34, 5.36 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 392, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HA           24 VAL  HN          3.50    (#     93:10  Unique         2.58, 2.61 A)
 &rst
  ixpk= 93, nxpk= 10, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          24 VAL  HN          5.00    (#     94:10  Unique         5.03, 5.06 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 649, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB+          24 VAL  HN          3.50    (#     95:10  Unique         3.85, 4.65 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB-          24 VAL  HN          5.00    (#     98:10  Unique         4.52, 5.05 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 394,
 &end
#
#   23 THR  HG1          24 VAL  HN          3.50    (#     99:10  Unique         2.03, 2.09 A)
 &rst
  ixpk= 99, nxpk= 10, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  HB           24 VAL  HN          2.70    (#    100:10  Unique         1.97, 2.03 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   24 VAL  MG1          24 VAL  HN          2.70    (#    101:10  Unique         1.95, 2.73 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          24 VAL  HN          3.50    (#    102:10  Unique         4.11, 4.21 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 384, 385, 386,
 &end
#
#   43 LYS  HN           44 MET  HN          6.00    (#    103:10  Unique         4.13, 4.20 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 662, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 THR  HN           44 MET  HN          6.00    (#    104:10  Resolved postSane   )
 &rst
  ixpk= 104, nxpk= 10, iat= 360, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:106     44 MET  HN          5.00    (#    106:10  Resolved postSane   )
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   44 MET  HA           44 MET  HN          3.50    (#    107:10  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 686, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HA           44 MET  HN          3.50    (#    108:10  Unique edited  4.42, 4.47 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 352, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HA           44 MET  HN          2.70    (#    109:10  Unique         1.86, 1.89 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 664, 684, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  HG1          44 MET  HN          5.00    (#    111:10  Unique         2.84, 2.91 A)
 &rst
  ixpk= 111, nxpk= 10, iat= 692, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HB2          44 MET  HN          5.00    (#    112:10  Unique         4.16, 4.20 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 666, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HG-          44 MET  HN          3.50    (#    114:10  Unique         2.95, 3.04 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:115     44 MET  HN          5.00    (#    115:10  Resolved postSane   )
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 670, 370,
 &end
#
#    0 AMB  10-2:116     44 MET  HN          2.70    (#    116:10  Resolved postSane   )
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 688, 689, 688, 689,
 &end
#
#   32 ILE  HN           20 TRP  HE1         5.00    (#    117:10  Unique         3.85, 4.04 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 489, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HZ2          20 TRP  HE1         6.00    (#    120:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 322, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:121     20 TRP  HE1         2.70    (#    121:10  Resolved postSane   )
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 317, 549,
 &end
#
#   35 TYR  HE2          20 TRP  HE1         6.00    (#    123:10  Unique         4.57, 4.74 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 547, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ILE  HA           20 TRP  HE1         3.50    (#    124:10  Unique         2.10, 2.22 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 491, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:126     20 TRP  HE1         3.50    (#    126:10  NMR Lookup Data     )
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 537, 536, 819, 820,
 &end
#
#   46 LYS  HE+          20 TRP  HE1         5.00    (#    127:10  Unique         3.51, 3.61 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#   32 ILE  HB           20 TRP  HE1         5.00    (#    128:10  Unique         3.82, 3.92 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 493, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HG1+         20 TRP  HE1         3.50    (#    129:10  Unique         3.24, 3.64 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         20 TRP  HE1         3.50    (#    130:10  Unique         3.24, 3.64 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          20 TRP  HE1         2.70    (#    131:10  Unique         1.76, 2.79 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 495, 496, 497,
 &end
#
#   32 ILE  MD1          20 TRP  HE1         3.50    (#    132:10  Unique         1.78, 2.41 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 502, 503, 504,
 &end
#
#   46 LYS  HG-          20 TRP  HE1         6.00    (#    133:10  Unique         5.18, 5.35 A)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          20 TRP  HE1         6.00    (#    134:10  Unique         3.68, 3.79 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 724, 725,
 &end
#
#   10 ASN  HN           29 ASP  HN          3.50    (#    137:10  Preassigned    3.28, 3.32 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 145, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HN           29 ASP  HN          6.00    (#    138:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 460, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:139     29 ASP  HN          6.00    (#    139:10  Resolved postSane   )
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 427, 350,
 &end
#
#   10 ASN  HD2-         29 ASP  HN          5.00    (#    140:10  Unique         3.46, 4.21 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 154, 155,
 &end
#
#    0 AMB  10-2:141     29 ASP  HN          5.00    (#    141:10  Resolved postSane   )
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 435,
 &end
#
#    0 AMB  10-2:142     29 ASP  HN          6.00    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 437,
 &end
#
#   29 ASP  HA           29 ASP  HN          3.50    (#    143:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 143, nxpk= 10, iat= 450, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           29 ASP  HN          6.00    (#    144:10  Unique         4.70, 4.75 A)
 &rst
  ixpk= 144, nxpk= 10, iat= 335, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HA           29 ASP  HN          2.70    (#    145:10  Unique         2.30, 2.37 A)
 &rst
  ixpk= 145, nxpk= 10, iat= 429, 448, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10 ASN  HA           29 ASP  HN          6.00    (#    146:10  Unique         4.41, 4.50 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 147, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HA           29 ASP  HN          6.00    (#    147:10  Unique         5.29, 5.33 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 137, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ASN  HB+          29 ASP  HN          3.50    (#    148:10  Unique         1.97, 2.12 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 149, 150,
 &end
#
#   29 ASP  HB2          29 ASP  HN          3.50    (#    149:10  Resolved postSane   )
 &rst
  ixpk= 149, nxpk= 10, iat= 452, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HB-          29 ASP  HN          3.50    (#    151:10  Unique         1.97, 2.12 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 149, 150,
 &end
#
#   30 LEU  HG           29 ASP  HN          6.00    (#    152:10  Unique         3.87, 3.94 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 467, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 TYR  HN           34 CYS  HN          3.50    (#    155:10  Unique         2.49, 2.54 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 532, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HN           34 CYS  HN          3.50    (#    156:10  Unique         2.71, 2.74 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HA           34 CYS  HN          5.00    (#    158:10  Unique         3.52, 3.55 A)
 &rst
  ixpk= 158, nxpk= 10, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HN          3.50    (#    159:10  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          34 CYS  HN          5.00    (#    160:10  Unique         4.55, 4.72 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 484, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:161     34 CYS  HN          3.50    (#    161:10  Resolved postSane   )
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 512, 513, 512, 513,
 &end
#
#   34 CYS  HB2          34 CYS  HN          2.70    (#    162:10  Unique         2.30, 2.33 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   30 LEU  HB3          34 CYS  HN          5.00    (#    163:10  Unique         4.00, 4.11 A)
 &rst
  ixpk= 163, nxpk= 10, iat= 465, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:164     34 CYS  HN          6.00    (#    164:10  NMR Lookup Data     )
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 499, 500,
 &end
#
#    0 AMB  10-2:165     34 CYS  HN          5.00    (#    165:10  NMR Lookup Data     )
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 473, 474, 475, 495, 496, 497,
 &end
#
#    0 AMB  10-2:166     34 CYS  HN          5.00    (#    166:10  Resolved postSane   )
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 246, 247, 248,
 &end
#
#    9 CYS  HB2          34 CYS  HN          6.00    (#    167:10  Preassigned    5.27, 5.40 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 140, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:168     52 ASP  HN          2.70    (#    168:10  NMR Lookup Data     )
 &rst
  ixpk= 168, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 817, 798,
 &end
#
#    0 AMB  10-2:169     52 ASP  HN          5.00    (#    169:10  NMR Lookup Data     )
 &rst
  ixpk= 169, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 275, 791, 792,
 &end
#
#    0 AMB  10-2:170     52 ASP  HN          3.50    (#    170:10  NMR Lookup Data     )
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 819, 820, 819, 820,
 &end
#
#    0 AMB  10-2:171     52 ASP  HN          5.00    (#    171:10  Resolved postSane   )
 &rst
  ixpk= 171, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 800, 801, 800, 801,
 &end
#
#   51 LEU  MDX          52 ASP  HN          5.00    (#    172:10  Unique         4.52, 5.42 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 805, 806, 807, 809, 810, 811,
 &end
#
#   18 THR  MG2          52 ASP  HN          6.00    (#    173:10  Unique         2.34, 3.93 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 277, 278, 279,
 &end
#
#   18 THR  MG2          52 ASP  HN          6.00    (#    174:10  Unique         2.34, 3.93 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 277, 278, 279,
 &end
#
#   10 ASN  HN            9 CYS  HN          5.00    (#    175:10  Unique         4.35, 4.39 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 145, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN            9 CYS  HN          5.00    (#    176:10  Unique         4.85, 4.91 A)
 &rst
  ixpk= 176, nxpk= 10, iat= 479, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HN            9 CYS  HN          5.00    (#    177:10  Unique         4.07, 4.13 A)
 &rst
  ixpk= 177, nxpk= 10, iat= 184, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 HIS  HA            9 CYS  HN          5.00    (#    178:10  Unique         3.63, 3.99 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 225, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  HA            9 CYS  HN          2.70    (#    179:10  Unique         2.24, 2.29 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 123, 135, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HA            9 CYS  HN          5.00    (#    181:10  Resolved postSane   )
 &rst
  ixpk= 181, nxpk= 10, iat= 186, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  HB            9 CYS  HN          3.50    (#    182:10  Unique         3.28, 3.38 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 125, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:183      9 CYS  HN          5.00    (#    183:10  Resolved postSane   )
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 210, 211, 210, 211,
 &end
#
#    0 AMB  10-2:184      9 CYS  HN          5.00    (#    184:10  Resolved postSane   )
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 179, 178, 227, 228,
 &end
#
#   31 CYS  HB3           9 CYS  HN          5.00    (#    185:10  Unique         5.97, 6.01 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 483, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB2           9 CYS  HN          3.50    (#    186:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 140, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:187      9 CYS  HN          2.70    (#    187:10  NMR Lookup Data     )
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 246, 247, 248, 127, 128, 129,
 &end
#
#   16 VAL  MG2           9 CYS  HN          5.00    (#    188:10  Unique         2.61, 3.52 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#    9 CYS  HA            9 CYS  HN          5.00    (#    189:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 137, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3           9 CYS  HN          2.70    (#    190:10  Unique         2.32, 2.36 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 139, 135, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   29 ASP  HN           28 TYR  HN          6.00    (#    191:10  Resolved postSane   )
 &rst
  ixpk= 191, nxpk= 10, iat= 448, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:192     28 TYR  HN          5.00    (#    192:10  NMR Lookup Data     )
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 346, 435,
 &end
#
#   27 ASP  HA           28 TYR  HN          2.70    (#    194:10  Resolved postSane   )
 &rst
  ixpk= 194, nxpk= 10, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HB+          28 TYR  HN          3.50    (#    196:10  Unique         2.62, 2.92 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB+          28 TYR  HN          3.50    (#    197:10  Unique         2.34, 3.31 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   22 CYS  HB-          28 TYR  HN          3.50    (#    198:10  Unique         2.62, 2.92 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#    0 AMB  10-2:199     28 TYR  HN          2.70    (#    199:10  NMR Lookup Data     )
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 395, 394, 432,
 &end
#
#   28 TYR  HB2          28 TYR  HN          2.70    (#    200:10  Unique         2.32, 2.39 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 431, 427, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:201     28 TYR  HN          5.00    (#    201:10  Resolved postSane   )
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#    6 VAL  HN            7 TYR  HN          6.00    (#    202:10  Unique         4.44, 4.48 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  84, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:203      7 TYR  HN          5.00    (#    203:10  NMR Lookup Data     )
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 236, 117,
 &end
#
#    0 AMB  10-2:204      7 TYR  HN          5.00    (#    204:10  NMR Lookup Data     )
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 115, 110,
 &end
#
#   15 HIS  HA            7 TYR  HN          5.00    (#    205:10  Unique         3.90, 4.32 A)
 &rst
  ixpk= 205, nxpk= 10, iat= 225, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 VAL  HA            7 TYR  HN          2.70    (#    208:10  Unique         1.87, 1.95 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  86, 100, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:209      7 TYR  HN          5.00    (#    209:10  Resolved postSane   )
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 227, 228, 227, 228,
 &end
#
#    7 TYR  HB2           7 TYR  HN          2.70    (#    210:10  Unique         2.20, 2.55 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 104, 100, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    7 TYR  HB3           7 TYR  HN          3.50    (#    211:10 edited  Resolved postSane   )
 &rst
  ixpk= 211, nxpk= 10, iat= 105, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:212      7 TYR  HN          6.00    (#    212:10  NMR Lookup Data     )
 &rst
  ixpk= 212, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 296, 244,
 &end
#
#    0 AMB  10-2:214      7 TYR  HN          2.70    (#    214:10  NMR Lookup Data     )
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=  90,  91,  92,  94,  95,  96,
 &end
#
#   16 VAL  HN            7 TYR  HN          5.00    (#    215:10  Unique         2.60, 2.81 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 240, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HA            7 TYR  HN          5.00    (#    216:10  Unique         3.74, 4.05 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 258, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  HN           25 CYS  HN          2.70    (#    217:10  Unique         2.78, 2.80 A)
 &rst
  ixpk= 217, nxpk= 10, iat= 374, 390, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   23 THR  HN           25 CYS  HN          5.00    (#    220:10  Unique         3.64, 3.65 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 360, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:222     25 CYS  HN          6.00    (#    222:10  NMR Lookup Data     )
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 346, 444,
 &end
#
#    0 AMB  10-2:223     25 CYS  HN          5.00    (#    223:10  Resolved postSane   )
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 352, 362,
 &end
#
#   25 CYS  HA           25 CYS  HN          3.50    (#    224:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 392, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          25 CYS  HN          6.00    (#    226:10  Unique         4.33, 4.44 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 649, 390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HB+          25 CYS  HN          3.50    (#    227:10  Unique         2.10, 3.07 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB+          25 CYS  HN          3.50    (#    228:10  Unique         1.91, 2.45 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   25 CYS  HB-          25 CYS  HN          2.70    (#    229:10  Unique         1.91, 2.45 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 395, 394,
 &end
#
#   28 TYR  HB2          25 CYS  HN          5.00    (#    230:10  Unique         5.09, 5.17 A)
 &rst
  ixpk= 230, nxpk= 10, iat= 431, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  HB           25 CYS  HN          3.50    (#    231:10  Unique         3.19, 3.23 A)
 &rst
  ixpk= 231, nxpk= 10, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  MG1          25 CYS  HN          3.50    (#    232:10  Unique         1.72, 2.31 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          25 CYS  HN          3.50    (#    233:10  Unique         2.92, 3.61 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 384, 385, 386,
 &end
#
#    0 AMB  10-2:234     21 HIS  HN          5.00    (#    234:10  Single Ambig)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 309, 460,
 &end
#
#   47 TRP  HN           21 HIS  HN          6.00    (#    235:10  Preassigned    4.07, 4.43 A)
 &rst
  ixpk= 235, nxpk= 10, iat= 739, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 VAL  HN           21 HIS  HN          3.50    (#    236:10  Preassigned    2.82, 2.88 A)
 &rst
  ixpk= 236, nxpk= 10, iat= 701, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HN           21 HIS  HN          6.00    (#    237:10  Unique         3.94, 4.01 A)
 &rst
  ixpk= 237, nxpk= 10, iat= 350, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HD1          21 HIS  HN          5.00    (#    238:10  Unique         4.41, 4.61 A)
 &rst
  ixpk= 238, nxpk= 10, iat= 747, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HD2          21 HIS  HN          6.00    (#    239:10  Resolved postSane   )
 &rst
  ixpk= 239, nxpk= 10, iat= 346, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HA           21 HIS  HN          3.50    (#    240:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 335, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 MET  HA           21 HIS  HN          6.00    (#    241:10  Unique         3.82, 3.92 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 686, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 LYS  HA           21 HIS  HN          3.50    (#    242:10  Unique         2.50, 2.70 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 719, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:243     21 HIS  HN          3.50    (#    243:10  NMR Lookup Data     )
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 313,
 &end
#
#   21 HIS  HB+          21 HIS  HN          2.70    (#    244:10  Unique         2.50, 2.99 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          21 HIS  HN          3.50    (#    245:10  Unique         2.50, 2.99 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:246     21 HIS  HN          3.50    (#    246:10  Resolved postSane   )
 &rst
  ixpk= 246, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 688, 689, 688, 689,
 &end
#
#   44 MET  ME           21 HIS  HN          5.00    (#    247:10  Unique         2.98, 4.12 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#   45 VAL  MG2          21 HIS  HN          3.50    (#    248:10  Unique         3.22, 4.23 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 711, 712, 713,
 &end
#
#    0 AMB  10-2:249     21 HIS  HN          6.00    (#    249:10  NMR Lookup Data     )
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 366, 292, 289, 290, 289, 290,
 &end
#
#   25 CYS  HA           26 GLU  HN          2.70    (#    250:10  Resolved postSane   )
 &rst
  ixpk= 250, nxpk= 10, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HB+          26 GLU  HN          3.50    (#    251:10  Unique         2.64, 3.34 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   26 GLU  HG1          26 GLU  HN          5.00    (#    252:10  Resolved postSane   )
 &rst
  ixpk= 252, nxpk= 10, iat= 408, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:253     26 GLU  HN          3.50    (#    253:10  Resolved postSane   )
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 404, 405, 404, 405,
 &end
#
#   25 CYS  HB-          26 GLU  HN          5.00    (#    254:10  Unique         2.64, 3.34 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 394,
 &end
#
#   21 HIS  HN           20 TRP  HN          6.00    (#    255:10  Unique         4.33, 4.38 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 333, 309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HN           20 TRP  HN          5.00    (#    256:10  Unique         4.34, 4.41 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 285, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HD1          20 TRP  HN          5.00    (#    258:10  Unique         2.58, 2.63 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 317, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           20 TRP  HN          6.00    (#    259:10  Unique         4.61, 4.66 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 462, 309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HA           20 TRP  HN          2.70    (#    260:10  Unique         2.25, 2.36 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 287, 309, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:261     20 TRP  HN          5.00    (#    261:10  NMR Lookup Data     )
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 491, 719,
 &end
#
#   20 TRP  HB2          20 TRP  HN          2.70    (#    262:10  Unique         2.46, 2.52 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 313, 309, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   19 ARG  HD-          20 TRP  HN          5.00    (#    263:10  Resolved postSane   )
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 295, 296,
 &end
#
#   19 ARG  HD+          20 TRP  HN          5.00    (#    264:10  Resolved postSane   )
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 295, 296,
 &end
#
#   44 MET  ME           20 TRP  HN          6.00    (#    265:10  Unique         4.30, 4.90 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 695, 696, 697,
 &end
#
#   19 ARG  HB+          20 TRP  HN          2.70    (#    267:10  Unique         2.22, 3.03 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 289, 290,
 &end
#
#   19 ARG  HG+          20 TRP  HN          5.00    (#    268:10  Unique         2.82, 3.01 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#    0 AMB  10-2:269     20 TRP  HN          5.00    (#    269:10  NMR Lookup Data     )
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 502, 503, 504, 721,
 &end
#
#   16 VAL  MG2          20 TRP  HN          6.00    (#    270:10  Unique         5.08, 5.94 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   29 ASP  HA           20 TRP  HN          5.00    (#    271:10  Unique         4.52, 4.59 A)
 &rst
  ixpk= 271, nxpk= 10, iat= 450, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HB2          20 TRP  HN          3.50    (#    273:10  Resolved postSane   )
 &rst
  ixpk= 273, nxpk= 10, iat= 464, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ARG  HB-          20 TRP  HN          3.50    (#    274:10  Unique         2.22, 3.03 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 289, 290,
 &end
#
#   27 ASP  HA           27 ASP  HN          2.70    (#    277:10  Unique         2.14, 2.23 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   26 GLU  HA           27 ASP  HN          2.70    (#    278:10  Unique         2.37, 2.47 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HB+          27 ASP  HN          5.00    (#    280:10  Unique         3.84, 4.68 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 394,
 &end
#
#   27 ASP  HB2          27 ASP  HN          3.50    (#    281:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 419, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 CYS  HB-          27 ASP  HN          6.00    (#    282:10  Resolved postSane   )
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 395, 394,
 &end
#
#   27 ASP  HB3          27 ASP  HN          3.50    (#    283:10  Unique         2.82, 3.56 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 420, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:284     27 ASP  HN          5.00    (#    284:10  Resolved postSane   )
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 408, 407,
 &end
#
#    0 AMB  10-2:285     27 ASP  HN          6.00    (#    285:10  Resolved postSane   )
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 404, 405, 404, 405,
 &end
#
#   39 SER  HN           38 LYS  HN          5.00    (#    290:10  Unique         2.33, 2.49 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 603, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  HN           38 LYS  HN          3.50    (#    291:10  Unique         2.31, 2.62 A)
 &rst
  ixpk= 291, nxpk= 10, iat= 567, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HA           38 LYS  HN          3.50    (#    292:10  Resolved postSane   )
 &rst
  ixpk= 292, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HA           38 LYS  HN          5.00    (#    293:10  Preassigned    3.17, 3.57 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 524, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HA           38 LYS  HN          5.00    (#    294:10  Resolved postSane   )
 &rst
  ixpk= 294, nxpk= 10, iat= 534, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:295     38 LYS  HN          2.70    (#    295:10  Resolved postSane   )
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 585, 586, 585, 586,
 &end
#
#    0 AMB  10-2:296     38 LYS  HN          5.00    (#    296:10  Resolved postSane   )
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 592, 591,
 &end
#
#   38 LYS  HG-          38 LYS  HN          3.50    (#    297:10  Unique         1.89, 2.21 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          38 LYS  HN          5.00    (#    298:10  Unique         4.38, 4.95 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   20 TRP  HN           19 ARG  HN          5.00    (#    301:10  Unique         4.34, 4.41 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 309, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HN           19 ARG  HN          3.50    (#    302:10  Preassigned    3.05, 3.20 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 739, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ARG  HA           19 ARG  HN          3.50    (#    305:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 305, nxpk= 10, iat= 287, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 THR  HA           19 ARG  HN          5.00    (#    307:10  Unique         2.05, 2.20 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA1          19 ARG  HN          5.00    (#    308:10  Unique         2.82, 3.29 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 766, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA2          19 ARG  HN          3.50    (#    309:10  Unique         3.37, 3.54 A)
 &rst
  ixpk= 309, nxpk= 10, iat= 765, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HB+          19 ARG  HN          3.50    (#    310:10  Unique         3.38, 4.13 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 743, 744,
 &end
#
#   47 TRP  HB-          19 ARG  HN          5.00    (#    311:10  Unique         3.38, 4.13 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#    0 AMB  10-2:312     19 ARG  HN          5.00    (#    312:10  NMR Lookup Data     )
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 730, 295, 731,
 &end
#
#    0 AMB  10-2:318     19 ARG  HN          2.70    (#    318:10  Resolved postSane   )
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 277, 278, 279, 502, 503, 504,
 &end
#
#   16 VAL  MG2          19 ARG  HN          6.00    (#    320:10  Unique         4.54, 5.57 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   46 LYS  HG+          19 ARG  HN          6.00    (#    322:10  Unique         4.08, 4.34 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 724, 725,
 &end
#
#    3 ASP  HA            4 ARG  HN          3.50    (#    323:10  Unique         2.33, 2.49 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  30,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ARG  HA            4 ARG  HN          5.00    (#    324:10  Unique         2.20, 2.40 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  42,  40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:325      4 ARG  HN          5.00    (#    325:10  Resolved postSane   )
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  44,  45,  44,  45,
 &end
#
#    4 ARG  HG+           4 ARG  HN          5.00    (#    326:10  Unique         1.94, 2.42 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  47,  48,
 &end
#
#   52 ASP  HN           51 LEU  HN          5.00    (#    327:10  Unique         2.22, 3.36 A)
 &rst
  ixpk= 327, nxpk= 10, iat= 815, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU  HA           51 LEU  HN          3.50    (#    328:10  Unique         2.14, 2.49 A)
 &rst
  ixpk= 328, nxpk= 10, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:329     51 LEU  HN          3.50    (#    329:10  Resolved postSane   )
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 792, 791,
 &end
#
#    0 AMB  10-2:330     51 LEU  HN          2.70    (#    330:10  Resolved postSane   )
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 800, 801, 800, 801,
 &end
#
#   51 LEU  MDX          51 LEU  HN          5.00    (#    331:10  Unique         2.15, 3.18 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 805, 806, 807, 809, 810, 811,
 &end
#
#   42 HIS  HB2          43 LYS  HN          3.50    (#    334:10  Unique         3.41, 3.51 A)
 &rst
  ixpk= 334, nxpk= 10, iat= 649, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:336      0 AMB  10-1:336    2.70    (#    336:10  NMR Lookup Data     )
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 227, 228, 227, 228, 650,
 igr2= 223, 662,
 &end
#
#   43 LYS  HB2          43 LYS  HN          2.70    (#    337:10  Unique         2.48, 2.54 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 666, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   43 LYS  HB3          43 LYS  HN          2.70    (#    338:10  Unique         2.66, 2.73 A)
 &rst
  ixpk= 338, nxpk= 10, iat= 667, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   43 LYS  HG-          43 LYS  HN          6.00    (#    339:10  Unique         4.54, 4.59 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:340     43 LYS  HN          6.00    (#    340:10  NMR Lookup Data     )
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 370, 670,
 &end
#
#   24 VAL  HB           43 LYS  HN          6.00    (#    341:10  Unique         2.85, 2.97 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 378, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  MG1          43 LYS  HN          5.00    (#    342:10  Unique         2.73, 3.81 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#    0 AMB  10-2:343      0 AMB  10-1:343    6.00    (#    343:10  Resolved postSane   )
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 219, 658,
 igr2= 223, 662,
 &end
#
#    0 AMB  10-2:344      0 AMB  10-1:344    5.00    (#    344:10  NMR Lookup Data     )
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 658, 236,
 igr2= 662, 223,
 &end
#
#   42 HIS  HN           43 LYS  HN          5.00    (#    345:10  Unique         4.38, 4.48 A)
 &rst
  ixpk= 345, nxpk= 10, iat= 645, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HN           43 LYS  HN          5.00    (#    346:10  Unique         4.13, 4.20 A)
 &rst
  ixpk= 346, nxpk= 10, iat= 684, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HA           43 LYS  HN          3.50    (#    352:10  Unique         2.86, 2.88 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HN           35 TYR  HN          2.70    (#    353:10  Unique         2.49, 2.54 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   33 ASN  HN           35 TYR  HN          6.00    (#    354:10  Unique         4.25, 4.36 A)
 &rst
  ixpk= 354, nxpk= 10, iat= 508, 532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HN           35 TYR  HN          3.50    (#    355:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 355, nxpk= 10, iat= 553, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HA           35 TYR  HN          6.00    (#    357:10  Unique         4.50, 4.54 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 462, 532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HA           35 TYR  HN          6.00    (#    360:10  Unique         5.34, 5.37 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 555, 532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HA           35 TYR  HN          3.50    (#    361:10  Unique         3.63, 3.66 A)
 &rst
  ixpk= 361, nxpk= 10, iat= 524, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:362     35 TYR  HN          2.70    (#    362:10  Resolved postSane   )
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 534, 491,
 &end
#
#   34 CYS  HB2          35 TYR  HN          3.50    (#    363:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB3          35 TYR  HN          3.50    (#    364:10  Unique         3.18, 3.31 A)
 &rst
  ixpk= 364, nxpk= 10, iat= 526, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HB2          35 TYR  HN          2.70    (#    365:10  Unique         2.60, 2.64 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 536, 532, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   35 TYR  HB3          35 TYR  HN          2.70    (#    366:10  Resolved postSane   )
 &rst
  ixpk= 366, nxpk= 10, iat= 537, 532, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   30 LEU  HB3          35 TYR  HN          3.50    (#    368:10  Unique         2.22, 2.28 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 465, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:369     35 TYR  HN          6.00    (#    369:10  Resolved postSane   )
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 589, 588, 467,
 &end
#
#   30 LEU  MDY          35 TYR  HN          5.00    (#    370:10  Unique         3.95, 4.87 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          35 TYR  HN          3.50    (#    371:10  Unique         3.27, 4.23 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   13 LYS  HN           14 HIS  HN          5.00    (#    374:10  Unique         2.52, 2.62 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 184, 206, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 HIS  HD2          14 HIS  HN          5.00    (#    376:10  Unique         3.25, 3.41 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 219, 206, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HA           14 HIS  HN          5.00    (#    378:10  Unique         2.93, 3.19 A)
 &rst
  ixpk= 378, nxpk= 10, iat= 186, 206, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:380     14 HIS  HN          3.50    (#    380:10  Resolved postSane   )
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 210, 211, 210, 211,
 &end
#
#   12 CYS  HB+          14 HIS  HN          3.50    (#    381:10  Unique         1.93, 2.44 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 178,
 &end
#
#    9 CYS  HB2          14 HIS  HN          6.00    (#    382:10  Unique         4.53, 4.97 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 140, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 LYS  HB2          14 HIS  HN          6.00    (#    383:10  Unique         3.71, 3.86 A)
 &rst
  ixpk= 383, nxpk= 10, iat= 188, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 SER  HA           40 HIS  HN          3.50    (#    386:10  Unique         2.39, 2.49 A)
 &rst
  ixpk= 386, nxpk= 10, iat= 605, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:387     40 HIS  HN          6.00    (#    387:10  Resolved postSane   )
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 607, 608, 607, 608,
 &end
#
#    0 AMB  10-2:388     40 HIS  HN          3.50    (#    388:10  Resolved postSane   )
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619, 618, 619,
 &end
#
#   35 TYR  HN           31 CYS  HN          5.00    (#    389:10  Resolved postSane   )
 &rst
  ixpk= 389, nxpk= 10, iat= 532, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HN           31 CYS  HN          6.00    (#    390:10  Unique         4.49, 4.53 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 159, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HN           31 CYS  HN          6.00    (#    391:10  Unique         4.85, 4.91 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 135, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           31 CYS  HN          2.70    (#    392:10  Unique         2.24, 2.27 A)
 &rst
  ixpk= 392, nxpk= 10, iat= 462, 479, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HA           31 CYS  HN          3.50    (#    393:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 481, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HA           31 CYS  HN          5.00    (#    394:10  Unique         2.95, 3.02 A)
 &rst
  ixpk= 394, nxpk= 10, iat= 137, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          31 CYS  HN          3.50    (#    395:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 395, nxpk= 10, iat= 484, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB2          31 CYS  HN          3.50    (#    396:10  Unique         2.37, 2.44 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 527, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HB2          31 CYS  HN          3.50    (#    398:10  Unique         2.11, 2.18 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 140, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  MDY          31 CYS  HN          3.50    (#    401:10  Unique         3.14, 4.15 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   31 CYS  HB3          31 CYS  HN          2.70    (#    404:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 483, 479, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   30 LEU  HB3          31 CYS  HN          3.50    (#    405:10  Unique         2.95, 3.04 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 465, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HB2          31 CYS  HN          5.00    (#    406:10  Unique         4.16, 4.20 A)
 &rst
  ixpk= 406, nxpk= 10, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3          31 CYS  HN          5.00    (#    407:10  Unique         3.53, 3.58 A)
 &rst
  ixpk= 407, nxpk= 10, iat= 139, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:408     31 CYS  HN          5.00    (#    408:10  NMR Lookup Data     )
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 289, 290, 467,
 &end
#
#   34 CYS  HN           33 ASN  HN          2.70    (#    409:10  Unique         2.71, 2.74 A)
 &rst
  ixpk= 409, nxpk= 10, iat= 522, 508, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   32 ILE  HN           33 ASN  HN          5.00    (#    410:10  Unique         3.09, 3.26 A)
 &rst
  ixpk= 410, nxpk= 10, iat= 489, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           33 ASN  HN          5.00    (#    411:10  Resolved postSane   )
 &rst
  ixpk= 411, nxpk= 10, iat= 481, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 ASN  HA           33 ASN  HN          3.50    (#    412:10  Preassigned    2.82, 2.84 A)
 &rst
  ixpk= 412, nxpk= 10, iat= 510, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HA           33 ASN  HN          3.50    (#    413:10  Unique         3.55, 3.60 A)
 &rst
  ixpk= 413, nxpk= 10, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          33 ASN  HN          5.00    (#    414:10  Unique         4.72, 5.00 A)
 &rst
  ixpk= 414, nxpk= 10, iat= 484, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:415     33 ASN  HN          2.70    (#    415:10  Resolved postSane   )
 &rst
  ixpk= 415, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 512, 513, 512, 513,
 &end
#
#   32 ILE  HB           33 ASN  HN          3.50    (#    416:10  Unique         2.40, 2.43 A)
 &rst
  ixpk= 416, nxpk= 10, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HG1+         33 ASN  HN          5.00    (#    417:10  Unique         3.90, 4.42 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         33 ASN  HN          5.00    (#    418:10  Unique         3.90, 4.42 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   32 ILE  MD1          33 ASN  HN          6.00    (#    420:10  Unique         5.14, 5.81 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 502, 503, 504,
 &end
#
#   10 ASN  HN           11 GLU  HN          3.50    (#    421:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 145, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           11 GLU  HN          2.70    (#    422:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 174, 159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HN           11 GLU  HN          5.00    (#    423:10  Unique         3.54, 3.57 A)
 &rst
  ixpk= 423, nxpk= 10, iat= 184, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           11 GLU  HN          5.00    (#    424:10  Unique         3.26, 3.30 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 462, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#    425:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 161, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HA           11 GLU  HN          3.50    (#    426:10  Unique         3.41, 3.44 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 147, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HA           11 GLU  HN          5.00    (#    427:10  Unique         3.62, 3.63 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 137, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3          11 GLU  HN          5.00    (#    428:10  Unique         3.93, 4.00 A)
 &rst
  ixpk= 428, nxpk= 10, iat= 139, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 ASN  HB+          11 GLU  HN          5.00    (#    429:10  Unique         3.06, 3.64 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 149, 150,
 &end
#
#   11 GLU  HB2          11 GLU  HN          2.70    (#    430:10  Resolved postSane   )
 &rst
  ixpk= 430, nxpk= 10, iat= 163, 159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HB3          11 GLU  HN          3.50    (#    431:10  Unique         3.70, 3.74 A)
 &rst
  ixpk= 431, nxpk= 10, iat= 164, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HB-          11 GLU  HN          6.00    (#    432:10  Unique         3.06, 3.64 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 149, 150,
 &end
#
#   30 LEU  MDY          11 GLU  HN          2.70    (#    433:10  Unique         2.30, 3.13 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   10 ASN  HN           12 CYS  HN          5.00    (#    435:10  Unique         4.45, 4.52 A)
 &rst
  ixpk= 435, nxpk= 10, iat= 145, 174, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HN           12 CYS  HN          2.70    (#    436:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 436, nxpk= 10, iat= 159, 174, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HN           12 CYS  HN          2.70    (#    437:10  Unique         2.08, 2.15 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 184, 174, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HA           12 CYS  HN          3.50    (#    438:10  Unique         3.49, 3.52 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 161, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB 10-2:439      12 CYS  HN          5.00    (#    439:10  Resolved postSane   )
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 186, 147,
 &end
#
#    9 CYS  HB3          12 CYS  HN          3.50    (#    440:10  Unique         2.81, 2.89 A)
 &rst
  ixpk= 440, nxpk= 10, iat= 139, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HB+          12 CYS  HN          3.50    (#    441:10  Unique         2.58, 3.19 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 178,
 &end
#
#   11 GLU  HB3          12 CYS  HN          3.50    (#    443:10  Unique         3.49, 3.55 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 164, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLU  HB2          12 CYS  HN          3.50    (#    444:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 163, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HB-          12 CYS  HN          2.70    (#    446:10  Unique         2.58, 3.19 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 179, 178,
 &end
#
#    0 AMB  10-2:447     12 CYS  HN          5.00    (#    447:10  Resolved postSane   )
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 195, 194,
 &end
#
#   30 LEU  MDY          12 CYS  HN          5.00    (#    448:10  Resolved postSane   )
 &rst
  ixpk= 448, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  10-2:450      6 VAL  HN          5.00    (#    450:10  NMR Lookup Data     )
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  28,  40,
 &end
#
#    5 PHE  HN            6 VAL  HN          3.50    (#    451:10  Unique         2.00, 2.17 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  64,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HA            6 VAL  HN          3.50    (#    452:10  Unique         3.32, 3.41 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  66,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 VAL  HA            6 VAL  HN          3.50    (#    453:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  86,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:454      6 VAL  HN          5.00    (#    454:10  NMR Lookup Data     )
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  50,  68,  69,
 &end
#
#    5 PHE  HB-           6 VAL  HN          5.00    (#    455:10  Unique         3.38, 4.02 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#    3 ASP  HB-           6 VAL  HN          5.00    (#    456:10  Unique         2.37, 3.80 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  32,  33,
 &end
#
#    6 VAL  HB            6 VAL  HN          3.50    (#    457:10  Unique         1.87, 1.96 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  88,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 VAL  MG2           6 VAL  HN          3.50    (#    458:10  Resolved postSane   )
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  94,  95,  96,
 &end
#
#    6 VAL  HN            5 PHE  HN          5.00    (#    459:10  Unique         2.00, 2.17 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  84,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 PHE  HD            5 PHE  HN          6.00    (#    460:10  Unique         2.44, 3.32 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  72,  80,
 &end
#
#    5 PHE  HA            5 PHE  HN          5.00    (#    461:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HA            5 PHE  HN          5.00    (#    462:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:463      5 PHE  HN          5.00    (#    463:10  NMR Lookup Data     )
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  50,  51,
 &end
#
#    0 AMB  10-2:464      5 PHE  HN          5.00    (#    464:10  Resolved postSane   )
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  44,  45,  44,  45,
 &end
#
#   21 HIS  HN           30 LEU  HN          5.00    (#    465:10  Unique         4.87, 4.92 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 333, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:468     30 LEU  HN          6.00    (#    468:10  NMR Lookup Data     )
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 350, 159, 285,
 &end
#
#   29 ASP  HN           30 LEU  HN          5.00    (#    469:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 469, nxpk= 10, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HD1          30 LEU  HN          5.00    (#    471:10  Unique         4.51, 4.63 A)
 &rst
  ixpk= 471, nxpk= 10, iat= 317, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HA           30 LEU  HN          5.00    (#    473:10  Unique         3.61, 3.65 A)
 &rst
  ixpk= 473, nxpk= 10, iat= 335, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:474     30 LEU  HN          5.00    (#    474:10  Resolved postSane   )
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 287, 481,
 &end
#
#    9 CYS  HA           30 LEU  HN          6.00    (#    476:10  Unique         3.71, 3.78 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 137, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:477     30 LEU  HN          2.70    (#    477:10 edinted  NMR Lookup Data     )
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 313, 314,
 &end
#
#   30 LEU  HB2          30 LEU  HN          3.50    (#    478:10  Unique         2.67, 2.70 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HB3          30 LEU  HN          2.70    (#    479:10  Unique         2.48, 2.69 A)
 &rst
  ixpk= 479, nxpk= 10, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  ME           30 LEU  HN          5.00    (#    480:10  Unique         3.97, 4.23 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  10-2:481     30 LEU  HN          3.50    (#    481:10  NMR Lookup Data     )
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 289, 290, 467,
 &end
#
#    0 AMB  10-2:482     30 LEU  HN          3.50    (#    482:10  edited NMR Lookup Data     )
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 293, 473, 474, 475,
 &end
#
#   30 LEU  MDX          30 LEU  HN          5.00    (#    483:10  Unique         4.91, 5.49 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  HB3          30 LEU  HN          5.00    (#    485:10  Unique         3.73, 3.76 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 465, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:486     30 LEU  HN          3.50    (#    486:10  Resolved postSane   )
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 295, 452,
 &end
#
#    0 AMB  10-2:487     32 ILE  HN          5.00    (#    487:10  Resolved postSane   )
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 522, 479,
 &end
#
#   33 ASN  HN           32 ILE  HN          3.50    (#    488:10  Unique         3.09, 3.26 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 508, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:490     32 ILE  HN          2.70    (#    490:10  Resolved postSane   )
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 481, 287,
 &end
#
#   32 ILE  HA           32 ILE  HN          2.70    (#    491:10  Unique         2.69, 2.72 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 491, 489, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HB2          32 ILE  HN          3.50    (#    492:10  Unique         3.89, 3.94 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB3          32 ILE  HN          5.00    (#    493:10  Unique         2.90, 2.98 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:494     32 ILE  HN          5.00    (#    494:10  NMR Lookup Data     )
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 536, 140, 313,
 &end
#
#   32 ILE  HB           32 ILE  HN          3.50    (#    495:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 493, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HG1+         32 ILE  HN          3.50    (#    496:10  Unique         1.93, 2.81 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         32 ILE  HN          2.70    (#    497:10  Unique         1.93, 2.81 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 499, 500,
 &end
#
#   32 ILE  MD1          32 ILE  HN          3.50    (#    499:10  Unique         2.41, 3.41 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 502, 503, 504,
 &end
#
#   16 VAL  MG2          32 ILE  HN          6.00    (#    500:10  Unique         4.67, 5.56 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   17 GLU  HA           18 THR  HN          5.00    (#    501:10  Unique         3.13, 3.32 A)
 &rst
  ixpk= 501, nxpk= 10, iat= 258, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:502     18 THR  HN          3.50    (#    502:10  Resolved postSane   )
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 275, 273,
 &end
#
#    0 AMB  10-2:503     18 THR  HN          3.50    (#    503:10  Resolved postSane   )
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 263, 264,
 &end
#
#   17 GLU  HB+          18 THR  HN          3.50    (#    504:10  Unique         1.88, 3.20 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 260, 261,
 &end
#
#   17 GLU  HB-          18 THR  HN          5.00    (#    505:10  Unique         1.88, 3.20 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 260, 261,
 &end
#
#   18 THR  MG2          18 THR  HN          5.00    (#    506:10  Resolved postSane   )
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 277, 278, 279,
 &end
#
#   43 LYS  HN           42 HIS  HN          5.00    (#    507:10  Resolved postSane   )
 &rst
  ixpk= 507, nxpk= 10, iat= 662, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 HIS  HE1          42 HIS  HN          5.00    (#    508:10  Unique         5.55, 5.71 A)
 &rst
  ixpk= 508, nxpk= 10, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HD2          42 HIS  HN          2.70    (#    509:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 509, nxpk= 10, iat= 627, 645, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   42 HIS  HD2          42 HIS  HN          3.50    (#    510:10  Unique         3.98, 4.09 A)
 &rst
  ixpk= 510, nxpk= 10, iat= 658, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HA           42 HIS  HN          5.00    (#    511:10  Unique         2.95, 2.98 A)
 &rst
  ixpk= 511, nxpk= 10, iat= 647, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HG1          42 HIS  HN          6.00    (#    513:10  Unique         3.66, 3.75 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 692, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HB           42 HIS  HN          6.00    (#    514:10  Unique         6.13, 6.16 A)
 &rst
  ixpk= 514, nxpk= 10, iat= 378, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:516     42 HIS  HN          3.50    (#    516:10  Resolved postSane   )
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619, 618, 619,
 &end
#
#   42 HIS  HB3          42 HIS  HN          3.50    (#    517:10  Unique         3.53, 3.56 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 650, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          42 HIS  HN          2.70    (#    519:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 519, nxpk= 10, iat= 649, 645, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   41 THR  HA           42 HIS  HN          3.50    (#    520:10  Unique         2.88, 3.08 A)
 &rst
  ixpk= 520, nxpk= 10, iat= 633, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  MG2          18 THR  HN          6.00    (#    521:10  Unique         3.32, 5.52 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   21 HIS  HN           45 VAL  HN          2.70    (#    522:10  Preassigned    2.82, 2.88 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 333, 701, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   46 LYS  HN           45 VAL  HN          5.00    (#    523:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 523, nxpk= 10, iat= 717, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HZ2          45 VAL  HN          6.00    (#    524:10  Unique         5.38, 5.44 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 752, 701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          45 VAL  HN          6.00    (#    525:10  Resolved postSane   )
 &rst
  ixpk= 525, nxpk= 10, iat= 346, 701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 MET  HA           45 VAL  HN          2.70    (#    527:10  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 527, nxpk= 10, iat= 686, 701, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   45 VAL  HA           45 VAL  HN          5.00    (#    528:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 528, nxpk= 10, iat= 703, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HB+          45 VAL  HN          3.50    (#    531:10  Unique         3.42, 4.29 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          45 VAL  HN          5.00    (#    532:10  Unique         3.42, 4.29 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:533     45 VAL  HN          2.70    (#    533:10  Resolved postSane   )
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 688, 689, 688, 689,
 &end
#
#   45 VAL  HB           45 VAL  HN          3.50    (#    534:10  Unique         3.49, 3.50 A)
 &rst
  ixpk= 534, nxpk= 10, iat= 705, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HG21         45 VAL  HN          3.50    (#    535:10  Unique         2.87, 2.94 A)
 &rst
  ixpk= 535, nxpk= 10, iat= 366, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  MG2          45 VAL  HN          2.70    (#    537:10  Unique         2.08, 2.63 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 711, 712, 713,
 &end
#
#   44 MET  HG2          45 VAL  HN          6.00    (#    538:10  Unique         3.83, 3.90 A)
 &rst
  ixpk= 538, nxpk= 10, iat= 691, 701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HN           23 THR  HN          2.70    (#    539:10  Unique         1.92, 1.95 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 374, 360, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HN           23 THR  HN          5.00    (#    540:10  Unique         3.64, 3.65 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 390, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HN           23 THR  HN          5.00    (#    541:10  Resolved postSane   )
 &rst
  ixpk= 541, nxpk= 10, iat= 701, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           23 THR  HN          3.50    (#    542:10  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 542, nxpk= 10, iat= 686, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HA           23 THR  HN          2.70    (#    543:10  Unique         2.07, 2.09 A)
 &rst
  ixpk= 543, nxpk= 10, iat= 352, 360, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   24 VAL  HA           23 THR  HN          6.00    (#    544:10  Unique         4.51, 4.55 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 376, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 HIS  HB2          23 THR  HN          6.00    (#    545:10  Unique         4.87, 4.96 A)
 &rst
  ixpk= 545, nxpk= 10, iat= 649, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HB+          23 THR  HN          3.50    (#    546:10  Resolved postSane   )
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   42 HIS  HB3          23 THR  HN          5.00    (#    547:10  Unique         5.04, 5.07 A)
 &rst
  ixpk= 547, nxpk= 10, iat= 650, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB-          23 THR  HN          5.00    (#    548:10  Unique         3.62, 4.06 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   44 MET  HG1          23 THR  HN          3.50    (#    549:10  Unique         3.78, 3.84 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 692, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:550     23 THR  HN          5.00    (#    550:10  NMR Lookup Data     )
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 666, 695, 696, 697,
 &end
#
#    0 AMB  10-2:551     23 THR  HN          2.70    (#    551:10  Resolved postSane   )
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 370, 366,
 &end
#
#   24 VAL  HB           23 THR  HN          5.00    (#    552:10  Unique         3.37, 3.42 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 378, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  MG1          23 THR  HN          3.50    (#    553:10  Unique         2.21, 3.08 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   15 HIS  HD2          16 VAL  HN          5.00    (#    554:10  Unique         2.40, 3.09 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 HIS  HA           16 VAL  HN          2.70    (#    556:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HA           16 VAL  HN          3.50    (#    557:10  Unique         2.65, 2.87 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 123, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 THR  HB           16 VAL  HN          6.00    (#    559:10  Unique         5.41, 5.61 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 125, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:560     16 VAL  HN          3.50    (#    560:10  Resolved postSane   )
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228, 227, 228,
 &end
#
#    7 TYR  HB2          16 VAL  HN          5.00    (#    561:10  Unique         3.77, 4.12 A)
 &rst
  ixpk= 561, nxpk= 10, iat= 104, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 TYR  HB3          16 VAL  HN          6.00    (#    562:10  Resolved postSane   )
 &rst
  ixpk= 562, nxpk= 10, iat= 105, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           16 VAL  HN          6.00    (#    563:10  Resolved postSane   )
 &rst
  ixpk= 563, nxpk= 10, iat= 244, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  MG1          16 VAL  HN          3.50    (#    565:10  Unique         2.98, 3.84 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          16 VAL  HN          2.70    (#    566:10  Unique         2.12, 3.02 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  10-2:567     16 VAL  HN          5.00    (#    567:10  Resolved postSane   )
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  94,  95,  96,  90,  91,  92,
 &end
#
#   28 TYR  HE1          10 ASN  HD2+        6.00    (#    570:10  Unique         2.25, 5.00 A)
 &rst
  ixpk= 570, nxpk= 10, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 154, 155,
 &end
#
#   10 ASN  HA           10 ASN  HD2+        5.00    (#    572:10  Unique         3.09, 3.66 A)
 &rst
  ixpk= 572, nxpk= 10, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB+          10 ASN  HD2+        3.50    (#    573:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB-          10 ASN  HD2+        5.00    (#    574:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   28 TYR  HD1          10 ASN  HD2-        5.00    (#    576:10  Unique         2.64, 4.18 A)
 &rst
  ixpk= 576, nxpk= 10, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   28 TYR  HA           10 ASN  HD2-        5.00    (#    577:10  Resolved postSane   )
 &rst
  ixpk= 577, nxpk= 10, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   10 ASN  HA           10 ASN  HD2-        5.00    (#    578:10  Unique         3.09, 3.66 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB+          10 ASN  HD2-        3.50    (#    579:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB-          10 ASN  HD2-        5.00    (#    580:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   11 GLU  HN           13 LYS  HN          3.50    (#    581:10  Unique         3.54, 3.57 A)
 &rst
  ixpk= 581, nxpk= 10, iat= 159, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           13 LYS  HN          2.70    (#    582:10  Unique         2.08, 2.15 A)
 &rst
  ixpk= 582, nxpk= 10, iat= 174, 184, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HA           13 LYS  HN          6.00    (#    583:10  Resolved postSane   )
 &rst
  ixpk= 583, nxpk= 10, iat= 161, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 LYS  HA           13 LYS  HN          2.70    (#    584:10  Unique         2.22, 2.26 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HB           13 LYS  HN          5.00    (#    585:10  Unique         4.65, 4.88 A)
 &rst
  ixpk= 585, nxpk= 10, iat= 125, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3          13 LYS  HN          3.50    (#    586:10  Unique         3.48, 3.52 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 139, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HB+          13 LYS  HN          5.00    (#    587:10  Unique         2.84, 3.44 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#    0 AMB  10-2:588     13 LYS  HN          6.00    (#    588:10  NMR Lookup Data     )
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 197, 198,
 &end
#
#    9 CYS  HB2          13 LYS  HN          5.00    (#    589:10  Unique         5.05, 5.07 A)
 &rst
  ixpk= 589, nxpk= 10, iat= 140, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:590     13 LYS  HN          6.00    (#    590:10  NMR Lookup Data     )
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 163, 166,
 &end
#
#   13 LYS  HB3          13 LYS  HN          5.00    (#    592:10  Unique         4.04, 4.10 A)
 &rst
  ixpk= 592, nxpk= 10, iat= 189, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HG-          13 LYS  HN          5.00    (#    594:10  Unique         3.41, 4.11 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
#   13 LYS  HG+          13 LYS  HN          6.00    (#    595:10  Unique         3.64, 4.20 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 191, 192,
 &end
#
#    8 THR  MG2          13 LYS  HN          5.00    (#    596:10  Resolved postSane   )
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 127, 128, 129,
 &end
#
#   12 CYS  HB-          13 LYS  HN          5.00    (#    597:10  Unique         2.84, 3.44 A)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#    0 AMB  10-2:599     33 ASN  HD2+        5.00    (#    599:10  Resolved postSane   )
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 512, 513, 512, 513,
 igr2= 517, 518,
 &end
#
#    0 AMB  10-2:601     33 ASN  HD2-        5.00    (#    601:10  Resolved postSane   )
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 512, 513, 512, 513,
 igr2= 517, 518,
 &end
#
#   34 CYS  HN           36 ASN  HN          5.00    (#    602:10  Unique         3.75, 3.82 A)
 &rst
  ixpk= 602, nxpk= 10, iat= 522, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HN           36 ASN  HN          3.50    (#    603:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 603, nxpk= 10, iat= 532, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           36 ASN  HN          5.00    (#    604:10  Unique         4.07, 4.24 A)
 &rst
  ixpk= 604, nxpk= 10, iat= 581, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:606     36 ASN  HN          6.00    (#    606:10  Single Ambig)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 549, 317, 540,
 &end
#
#   33 ASN  HA           36 ASN  HN          3.50    (#    607:10  Unique         3.31, 3.49 A)
 &rst
  ixpk= 607, nxpk= 10, iat= 510, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HA           36 ASN  HN          2.70    (#    608:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 608, nxpk= 10, iat= 555, 553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   34 CYS  HA           36 ASN  HN          5.00    (#    609:10  Unique         4.20, 4.28 A)
 &rst
  ixpk= 609, nxpk= 10, iat= 524, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  MG2          36 ASN  HN          5.00    (#    610:10  Unique         4.89, 6.00 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   32 ILE  MG2          36 ASN  HN          5.00    (#    611:10  Unique         4.08, 4.93 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 495, 496, 497,
 &end
#
#   30 LEU  MDX          36 ASN  HN          5.00    (#    612:10  Unique         5.01, 5.79 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  HB3          36 ASN  HN          6.00    (#    613:10  Resolved postSane   )
 &rst
  ixpk= 613, nxpk= 10, iat= 465, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 TYR  HB3          36 ASN  HN          2.70    (#    614:10  Unique         2.37, 2.50 A)
 &rst
  ixpk= 614, nxpk= 10, iat= 537, 553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   36 ASN  HB2          36 ASN  HN          2.70    (#    615:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 615, nxpk= 10, iat= 557, 553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   36 ASN  HB3          36 ASN  HN          3.50    (#    616:10  Unique         3.08, 3.34 A)
 &rst
  ixpk= 616, nxpk= 10, iat= 558, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:617     36 ASN  HN          3.50    (#    617:10  Resolved postSane   )
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 491,
 &end
#
#    0 AMB  10-2:618      0 AMB  10-1:618    5.00    (#    618:10  Resolved postSane   )
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 605, 633,
 igr2= 603, 631,
 &end
#
#    0 AMB  10-2:619      0 AMB  10-1:619    6.00    (#    619:10  Resolved postSane   )
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 635, 607, 608, 607, 608,
 igr2= 631, 603,
 &end
#
#    0 AMB  10-2:620      8 THR  HN          5.00    (#    620:10  NMR Lookup Data     )
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 240, 135,
 &end
#
#    7 TYR  HD1           8 THR  HN          6.00    (#    621:10  Resolved postSane   )
 &rst
  ixpk= 621, nxpk= 10, iat= 108, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA            8 THR  HN          2.70    (#    623:10  Resolved postSane   )
 &rst
  ixpk= 623, nxpk= 10, iat= 102, 121, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HB            8 THR  HN          3.50    (#    624:10  Unique         3.43, 3.50 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 125, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HB2           8 THR  HN          3.50    (#    625:10  Unique         2.96, 3.13 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HB3           8 THR  HN          3.50    (#    626:10  Unique         1.93, 2.18 A)
 &rst
  ixpk= 626, nxpk= 10, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 THR  MG2           8 THR  HN          5.00    (#    627:10  Unique         3.55, 4.41 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 127, 128, 129,
 &end
#
#   16 VAL  MG2           8 THR  HN          5.00    (#    628:10  Unique         3.48, 4.33 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#    6 VAL  MG1           8 THR  HN          6.00    (#    631:10  Unique         5.50, 6.40 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  90,  91,  92,
 &end
#
#   36 ASN  HB2          36 ASN  HD2-        3.50    (#    634:10  Unique         2.21, 3.18 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 562, 563,
 &end
#
#   32 ILE  MG2          36 ASN  HD2-        3.50    (#    636:10  Unique         2.60, 3.95 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 495, 496, 497,
 igr2= 562, 563,
 &end
#
#   33 ASN  HA           36 ASN  HD2+        6.00    (#    641:10  Unique         3.84, 4.98 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   36 ASN  HA           36 ASN  HD2+        6.00    (#    642:10  Unique         1.98, 3.13 A)
 &rst
  ixpk= 642, nxpk= 10, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   36 ASN  HB2          36 ASN  HD2+        3.50    (#    643:10  Unique         2.21, 3.18 A)
 &rst
  ixpk= 643, nxpk= 10, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 562, 563,
 &end
#
#   32 ILE  MG2          36 ASN  HD2+        5.00    (#    645:10  Unique         2.60, 3.95 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 495, 496, 497,
 igr2= 562, 563,
 &end
#
#    2 GLN  HB+           2 GLN  HE2-        5.00    (#    648:10  Unique         2.07, 3.83 A)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  15,  16,
 igr2=  23,  24,
 &end
#
#    2 GLN  HB+           2 GLN  HE2+        5.00    (#    650:10  Unique         2.07, 3.83 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  15,  16,
 igr2=  23,  24,
 &end
#
#   47 TRP  HA           48 GLY  HN          5.00    (#    651:10  Unique         2.16, 2.33 A)
 &rst
  ixpk= 651, nxpk= 10, iat= 741, 763, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA2          48 GLY  HN          5.00    (#    652:10  Unique         2.66, 2.79 A)
 &rst
  ixpk= 652, nxpk= 10, iat= 765, 763, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA1          48 GLY  HN          3.50    (#    653:10  Unique         2.71, 2.84 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 766, 763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HB+          48 GLY  HN          5.00    (#    654:10  Unique         2.89, 3.77 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#   47 TRP  HB-          48 GLY  HN          5.00    (#    655:10  Unique         2.89, 3.77 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#   49 LEU  HA           50 GLY  HN          6.00    (#    656:10  Unique         2.24, 2.41 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 772, 789, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:657     50 GLY  HN          5.00    (#    657:10  Resolved postSane   )
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 792, 791,
 &end
#
#   38 LYS  HN           37 THR  HN          2.70    (#    658:10  Unique         2.31, 2.62 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 581, 567, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:659     37 THR  HN          3.50    (#    659:10  NMR Lookup Data     )
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 553, 603,
 &end
#
#   37 THR  HA           37 THR  HN          3.50    (#    661:10  Resolved postSane   )
 &rst
  ixpk= 661, nxpk= 10, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB2          37 THR  HN          3.50    (#    662:10  Unique         2.68, 3.15 A)
 &rst
  ixpk= 662, nxpk= 10, iat= 557, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB3          37 THR  HN          5.00    (#    663:10  Unique         2.43, 2.93 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 558, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 LYS  HB+          37 THR  HN          5.00    (#    664:10  Resolved postSane   )
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 585, 586,
 &end
#
#   38 LYS  HG-          37 THR  HN          5.00    (#    665:10  Unique         3.72, 4.10 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          37 THR  HN          3.50    (#    666:10  Unique         2.27, 3.34 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 573, 574, 575,
 &end
#
#   35 TYR  HA           37 THR  HN          6.00    (#    667:10  Resolved postSane   )
 &rst
  ixpk= 667, nxpk= 10, iat= 534, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HA           37 THR  HN          5.00    (#    669:10  Preassigned    3.05, 3.23 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 524, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HB2          36 ASN  HN          6.00    (#    679:10  Unique         5.67, 5.78 A)
 &rst
  ixpk= 679, nxpk= 10, iat= 464, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 CYS  HN           12 CYS  HN          6.00    (#    682:10  Unique         4.87, 4.97 A)
 &rst
  ixpk= 682, nxpk= 10, iat= 479, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HB2          11 GLU  HN          5.00    (#    683:10  Unique         4.43, 4.49 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 140, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HB2          35 TYR  HN          5.00    (#    686:10  Unique         3.48, 3.56 A)
 &rst
  ixpk= 686, nxpk= 10, iat= 464, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  HB           38 LYS  HN          5.00    (#    687:10  Unique         3.04, 3.60 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 571, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HB3          20 TRP  HN          5.00    (#    688:10  Resolved postSane   )
 &rst
  ixpk= 688, nxpk= 10, iat= 453, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:689     25 CYS  HN          6.00    (#    689:10  NMR Lookup Data     )
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 400, 415,
 &end
#
#   34 CYS  HB3          34 CYS  HN          3.50    (#    690:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 690, nxpk= 10, iat= 526, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:691     23 THR  HN          5.00    (#    691:10  Resolved postSane   )
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 688, 689, 688, 689,
 &end
#
#   30 LEU  MDX          11 GLU  HN          6.00    (#    692:10  Unique         5.65, 6.07 A)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  10-2:693     11 GLU  HN          6.00    (#    693:10  Resolved postSane   )
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 194, 195,
 &end
#
#    0 AMB  10-2:694     12 CYS  HN          6.00    (#    694:10  Resolved postSane   )
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 198, 197,
 &end
#
#   34 CYS  HB3          12 CYS  HN          5.00    (#    695:10  Unique         5.41, 5.50 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 526, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:696     12 CYS  HN          5.00    (#    696:10  Resolved postSane   )
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 210, 211, 210, 211,
 &end
#
#    0 AMB  10-2:697     11 GLU  HN          5.00    (#    697:10  NMR Lookup Data     )
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 178, 527,
 &end
#
#   17 GLU  HA            6 VAL  HN          5.00    (#    698:10  Resolved postSane   )
 &rst
  ixpk= 698, nxpk= 10, iat= 258,  84, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:699      6 VAL  HN          6.00    (#    699:10  Resolved postSane   )
 &rst
  ixpk= 699, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  44,  45,  44,  45,
 &end
#
#   35 TYR  HN           37 THR  HN          6.00    (#    700:10  Unique         4.22, 4.56 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 532, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 LYS  HA           39 SER  HN          6.00    (#    701:10  Resolved postSane   )
 &rst
  ixpk= 701, nxpk= 10, iat= 583, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:702     39 SER  HN          6.00    (#    702:10  Resolved postSane   )
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 585, 586,
 &end
#
#    7 TYR  HN           16 VAL  HN          3.50    (#    705:10  Unique         2.60, 2.81 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 100, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:706      7 TYR  HN          5.00    (#    706:10  Resolved postSane   )
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 127, 128, 129, 246, 247, 248,
 &end
#
#   29 ASP  HA           30 LEU  HN          2.70    (#    707:10  Unique         2.31, 2.37 A)
 &rst
  ixpk= 707, nxpk= 10, iat= 450, 460, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HE-          10 ASN  HN          5.00    (#    708:10  Unique edited  6.05, 6.19 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 197, 198,
 &end
#
#   48 GLY  HA2          47 TRP  HN          6.00    (#    709:10  Unique         4.84, 5.08 A)
 &rst
  ixpk= 709, nxpk= 10, iat= 765, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 TRP  HN           47 TRP  HN          5.00    (#    711:10  Unique         4.61, 4.81 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 309, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HZ2          47 TRP  HE1         3.50    (#    714:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 752, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  HA           25 CYS  HN          3.50    (#    717:10  Unique         3.32, 3.36 A)
 &rst
  ixpk= 717, nxpk= 10, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TYR  HB2          26 GLU  HN          5.00    (#    718:10  Unique         3.14, 3.41 A)
 &rst
  ixpk= 718, nxpk= 10, iat= 431, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HB2          31 CYS  HN          6.00    (#    720:10  Resolved postSane   )
 &rst
  ixpk= 720, nxpk= 10, iat= 163, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 PHE  HB-           5 PHE  HN          5.00    (#    721:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#    6 VAL  MG2           5 PHE  HN          6.00    (#    722:10  Resolved postSane   )
 &rst
  ixpk= 722, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  94,  95,  96,
 &end
#
#    0 AMB  10-2:723      5 PHE  HN          6.00    (#    723:10  NMR Lookup Data     )
 &rst
  ixpk= 723, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  47,  48,
 &end
#
#    0 AMB  10-2:724     30 LEU  HN          6.00    (#    724:10  NMR Lookup Data     )
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 534, 719, 491,
 &end
#
#   11 GLU  HA           10 ASN  HD2+        5.00    (#    725:10  Unique         4.00, 6.29 A)
 &rst
  ixpk= 725, nxpk= 10, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#    0 AMB  10-2:726     36 ASN  HN          3.50    (#    726:10  Resolved postSane   )
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 562, 563, 567,
 &end
#
#    0 AMB  10-2:729     46 LYS  HN          6.00    (#    729:10  Resolved postSane   )
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 688, 689, 688, 689,
 &end
#
#    0 AMB  10-2:734     25 CYS  HN          6.00    (#    734:10  Resolved postSane   )
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 370, 366,
 &end
#
#    0 AMB  10-2:736     25 CYS  HN          6.00    (#    736:10  NMR Lookup Data     )
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 417, 429,
 &end
#
#   20 TRP  HE3          20 TRP  HN          5.00    (#    738:10  Unique edited  5.31, 5.39 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 328, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HIS  HD2           8 THR  HN          6.00    (#    743:10  Unique         4.56, 5.16 A)
 &rst
  ixpk= 743, nxpk= 10, iat= 236, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HN           23 THR  HN          5.00    (#    745:10  Resolved postSane   )
 &rst
  ixpk= 745, nxpk= 10, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HA           12 CYS  HN          3.50    (#    746:10  Unique         2.97, 2.99 A)
 &rst
  ixpk= 746, nxpk= 10, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HA           43 LYS  HN          2.70    (#    747:10  Unique         2.40, 2.48 A)
 &rst
  ixpk= 747, nxpk= 10, iat= 647, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
# 828 atoms read from pdb file zz_amber_gb2.pdb.
# 2 GLN PHI:  (1 GLY C)-(2 GLN N)-(2 GLN CA)-(2 GLN C) -180.0 -60.0
 &rst     iat =     8,    10,    12,    25,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 2 GLN PSI:  (2 GLN N)-(2 GLN CA)-(2 GLN C)-(3 ASP N)  80.0 200.0
 &rst     iat =    10,    12,    25,    27,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 3 ASP PHI:  (2 GLN C)-(3 ASP N)-(3 ASP CA)-(3 ASP C) -180.0 -60.0
 &rst     iat =    25,    27,    29,    37,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 3 ASP PSI:  (3 ASP N)-(3 ASP CA)-(3 ASP C)-(4 ARG N)  80.0 200.0
 &rst     iat =    27,    29,    37,    39,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 6 VAL PHI:  (5 PHE C)-(6 VAL N)-(6 VAL CA)-(6 VAL C) -180.0 -60.0
 &rst     iat =    81,    83,    85,    97,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 6 VAL PSI:  (6 VAL N)-(6 VAL CA)-(6 VAL C)-(7 TYR N)  80.0 200.0
 &rst     iat =    83,    85,    97,    99,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 7 TYR PHI:  (6 VAL C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -180.0 -60.0
 &rst     iat =    97,    99,   101,   118,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 7 TYR PSI:  (7 TYR N)-(7 TYR CA)-(7 TYR C)-(8 THR N)  80.0 200.0
 &rst     iat =    99,   101,   118,   120,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 8 THR PHI:  (7 TYR C)-(8 THR N)-(8 THR CA)-(8 THR C) -180.0 -60.0
 &rst     iat =   118,   120,   122,   132,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 8 THR PSI:  (8 THR N)-(8 THR CA)-(8 THR C)-(9 CYM N)  80.0 200.0
 &rst     iat =   120,   122,   132,   134,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 10 ASN PHI:  (9 CYM C)-(10 ASN N)-(10 ASN CA)-(10 ASN C) -100.0 -20.0
 &rst     iat =   142,   144,   146,   156,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 10 ASN PSI:  (10 ASN N)-(10 ASN CA)-(10 ASN C)-(11 GLU N) -90.0   0.0
 &rst     iat =   144,   146,   156,   158,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 13 LYS PHI:  (12 CYM C)-(13 LYS N)-(13 LYS CA)-(13 LYS C)  30.0  90.0
 &rst     iat =   181,   183,   185,   203,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 HIE N)   0.0  80.0
 &rst     iat =   183,   185,   203,   205,
   r1 =  -1.0, r2 =   0.0, r3 =  80.0, r4 =  81.0,
 &end

# 14 HIS PHI:  (13 LYS C)-(14 HIE N)-(14 HIE CA)-(14 HIE C) -180.0 -60.0
 &rst     iat =   203,   205,   207,   220,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 14 HIS PSI:  (14 HIE N)-(14 HIE CA)-(14 HIE C)-(15 HIE N)  80.0 200.0
 &rst     iat =   205,   207,   220,   222,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 15 HIS PHI:  (14 HIE C)-(15 HIE N)-(15 HIE CA)-(15 HIE C) -180.0 -60.0
 &rst     iat =   220,   222,   224,   237,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 15 HIS PSI:  (15 HIE N)-(15 HIE CA)-(15 HIE C)-(16 VAL N)  80.0 200.0
 &rst     iat =   222,   224,   237,   239,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 16 VAL PHI:  (15 HIE C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) -180.0 -60.0
 &rst     iat =   237,   239,   241,   253,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 16 VAL PSI:  (16 VAL N)-(16 VAL CA)-(16 VAL C)-(17 GLU N)  80.0 200.0
 &rst     iat =   239,   241,   253,   255,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 18 THR PHI:  (17 GLU C)-(18 THR N)-(18 THR CA)-(18 THR C) -180.0 -60.0
 &rst     iat =   268,   270,   272,   282,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 18 THR PSI:  (18 THR N)-(18 THR CA)-(18 THR C)-(19 ARG N)  80.0 200.0
 &rst     iat =   270,   272,   282,   284,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 19 ARG PHI:  (18 THR C)-(19 ARG N)-(19 ARG CA)-(19 ARG C) -180.0 -60.0
 &rst     iat =   282,   284,   286,   306,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 19 ARG PSI:  (19 ARG N)-(19 ARG CA)-(19 ARG C)-(20 TRP N)  80.0 200.0
 &rst     iat =   284,   286,   306,   308,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 20 TRP PHI:  (19 ARG C)-(20 TRP N)-(20 TRP CA)-(20 TRP C) -180.0 -60.0
 &rst     iat =   306,   308,   310,   330,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 20 TRP PSI:  (20 TRP N)-(20 TRP CA)-(20 TRP C)-(21 HIE N)  80.0 200.0
 &rst     iat =   308,   310,   330,   332,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 21 HIS PHI:  (20 TRP C)-(21 HIE N)-(21 HIE CA)-(21 HIE C) -180.0 -60.0
 &rst     iat =   330,   332,   334,   347,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 21 HIS PSI:  (21 HIE N)-(21 HIE CA)-(21 HIE C)-(22 CYM N)  80.0 200.0
 &rst     iat =   332,   334,   347,   349,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 23 THR PHI:  (22 CYM C)-(23 THR N)-(23 THR CA)-(23 THR C) -100.0 -20.0
 &rst     iat =   357,   359,   361,   371,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 23 THR PSI:  (23 THR N)-(23 THR CA)-(23 THR C)-(24 VAL N) -90.0   0.0
 &rst     iat =   359,   361,   371,   373,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 24 VAL PHI:  (23 THR C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -100.0 -20.0
 &rst     iat =   371,   373,   375,   387,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 CYM N) -90.0   0.0
 &rst     iat =   373,   375,   387,   389,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 27 ASP PHI:  (26 GLU C)-(27 ASP N)-(27 ASP CA)-(27 ASP C)  30.0  90.0
 &rst     iat =   412,   414,   416,   424,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 27 ASP PSI:  (27 ASP N)-(27 ASP CA)-(27 ASP C)-(28 TYR N)   0.0  80.0
 &rst     iat =   414,   416,   424,   426,
   r1 =  -1.0, r2 =   0.0, r3 =  80.0, r4 =  81.0,
 &end

# 28 TYR PHI:  (27 ASP C)-(28 TYR N)-(28 TYR CA)-(28 TYR C) -180.0 -60.0
 &rst     iat =   424,   426,   428,   445,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 28 TYR PSI:  (28 TYR N)-(28 TYR CA)-(28 TYR C)-(29 ASP N)  80.0 200.0
 &rst     iat =   426,   428,   445,   447,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 29 ASP PHI:  (28 TYR C)-(29 ASP N)-(29 ASP CA)-(29 ASP C) -180.0 -60.0
 &rst     iat =   445,   447,   449,   457,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 29 ASP PSI:  (29 ASP N)-(29 ASP CA)-(29 ASP C)-(30 LEU N)  80.0 200.0
 &rst     iat =   447,   449,   457,   459,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 30 LEU PHI:  (29 ASP C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -180.0 -60.0
 &rst     iat =   457,   459,   461,   476,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 CYM N)  80.0 200.0
 &rst     iat =   459,   461,   476,   478,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 32 ILE PHI:  (31 CYM C)-(32 ILE N)-(32 ILE CA)-(32 ILE C) -100.0 -20.0
 &rst     iat =   486,   488,   490,   505,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 32 ILE PSI:  (32 ILE N)-(32 ILE CA)-(32 ILE C)-(33 ASN N) -90.0   0.0
 &rst     iat =   488,   490,   505,   507,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 33 ASN PHI:  (32 ILE C)-(33 ASN N)-(33 ASN CA)-(33 ASN C) -100.0 -20.0
 &rst     iat =   505,   507,   509,   519,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 33 ASN PSI:  (33 ASN N)-(33 ASN CA)-(33 ASN C)-(34 CYM N) -90.0   0.0
 &rst     iat =   507,   509,   519,   521,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 35 TYR PHI:  (34 CYM C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -100.0 -20.0
 &rst     iat =   529,   531,   533,   550,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 ASN N) -90.0   0.0
 &rst     iat =   531,   533,   550,   552,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 36 ASN PHI:  (35 TYR C)-(36 ASN N)-(36 ASN CA)-(36 ASN C) -100.0 -20.0
 &rst     iat =   550,   552,   554,   564,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 36 ASN PSI:  (36 ASN N)-(36 ASN CA)-(36 ASN C)-(37 THR N) -90.0   0.0
 &rst     iat =   552,   554,   564,   566,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 39 SER PHI:  (38 LYS C)-(39 SER N)-(39 SER CA)-(39 SER C)  30.0  90.0
 &rst     iat =   600,   602,   604,   611,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 39 SER PSI:  (39 SER N)-(39 SER CA)-(39 SER C)-(40 HID N)   0.0  80.0
 &rst     iat =   602,   604,   611,   613,
   r1 =  -1.0, r2 =   0.0, r3 =  80.0, r4 =  81.0,
 &end

# 40 HIS PHI:  (39 SER C)-(40 HID N)-(40 HID CA)-(40 HID C) -180.0 -60.0
 &rst     iat =   611,   613,   615,   628,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 40 HIS PSI:  (40 HID N)-(40 HID CA)-(40 HID C)-(41 THR N)  80.0 200.0
 &rst     iat =   613,   615,   628,   630,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 41 THR PHI:  (40 HID C)-(41 THR N)-(41 THR CA)-(41 THR C) -100.0 -20.0
 &rst     iat =   628,   630,   632,   642,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 41 THR PSI:  (41 THR N)-(41 THR CA)-(41 THR C)-(42 HIE N) -90.0   0.0
 &rst     iat =   630,   632,   642,   644,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 44 MET PHI:  (43 LYS C)-(44 MET N)-(44 MET CA)-(44 MET C) -180.0 -60.0
 &rst     iat =   681,   683,   685,   698,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 44 MET PSI:  (44 MET N)-(44 MET CA)-(44 MET C)-(45 VAL N)  80.0 200.0
 &rst     iat =   683,   685,   698,   700,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 47 TRP PHI:  (46 LYS C)-(47 TRP N)-(47 TRP CA)-(47 TRP C) -180.0 -60.0
 &rst     iat =   736,   738,   740,   760,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 47 TRP PSI:  (47 TRP N)-(47 TRP CA)-(47 TRP C)-(48 GLY N)  80.0 200.0
 &rst     iat =   738,   740,   760,   762,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 6 VAL CHI1:  (6 VAL N)-(6 VAL CA)-(6 VAL CB)-(6 VAL CG1) 150.0 210.0
 &rst     iat =    83,    85,    87,    89,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 TYR CHI1:  (7 TYR N)-(7 TYR CA)-(7 TYR CB)-(7 TYR CG) -90.0 -30.0
 &rst     iat =    99,   101,   103,   106,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 9 CYS CHI1:  (9 CYM N)-(9 CYM CA)-(9 CYM CB)-(9 CYM SG) 150.0 210.0
 &rst     iat =   134,   136,   138,   141,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 11 GLU CHI1:  (11 GLU N)-(11 GLU CA)-(11 GLU CB)-(11 GLU CG) -90.0 -30.0
 &rst     iat =   158,   160,   162,   165,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 13 LYS CHI1:  (13 LYS N)-(13 LYS CA)-(13 LYS CB)-(13 LYS CG) -90.0 -30.0
 &rst     iat =   183,   185,   187,   190,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 VAL CHI1:  (16 VAL N)-(16 VAL CA)-(16 VAL CB)-(16 VAL CG1) -90.0 -30.0
 &rst     iat =   239,   241,   243,   245,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 18 THR CHI1:  (18 THR N)-(18 THR CA)-(18 THR CB)-(18 THR OG1) -90.0 -30.0
 &rst     iat =   270,   272,   274,   280,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 20 TRP CHI1:  (20 TRP N)-(20 TRP CA)-(20 TRP CB)-(20 TRP CG) -90.0 -30.0
 &rst     iat =   308,   310,   312,   315,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 23 THR CHI1:  (23 THR N)-(23 THR CA)-(23 THR CB)-(23 THR OG1)  30.0  90.0
 &rst     iat =   359,   361,   363,   369,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 24 VAL CHI1:  (24 VAL N)-(24 VAL CA)-(24 VAL CB)-(24 VAL CG1)  30.0  90.0
 &rst     iat =   373,   375,   377,   379,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 27 ASP CHI1:  (27 ASP N)-(27 ASP CA)-(27 ASP CB)-(27 ASP CG) 150.0 210.0
 &rst     iat =   414,   416,   418,   421,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 TYR CHI1:  (28 TYR N)-(28 TYR CA)-(28 TYR CB)-(28 TYR CG) 150.0 210.0
 &rst     iat =   426,   428,   430,   433,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 29 ASP CHI1:  (29 ASP N)-(29 ASP CA)-(29 ASP CB)-(29 ASP CG) -90.0 -30.0
 &rst     iat =   447,   449,   451,   454,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 LEU CHI1:  (30 LEU N)-(30 LEU CA)-(30 LEU CB)-(30 LEU CG) -90.0 -30.0
 &rst     iat =   459,   461,   463,   466,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 31 CYS CHI1:  (31 CYM N)-(31 CYM CA)-(31 CYM CB)-(31 CYM SG)  30.0  90.0
 &rst     iat =   478,   480,   482,   485,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 34 CYS CHI1:  (34 CYM N)-(34 CYM CA)-(34 CYM CB)-(34 CYM SG) -90.0 -30.0
 &rst     iat =   521,   523,   525,   528,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 35 TYR CHI1:  (35 TYR N)-(35 TYR CA)-(35 TYR CB)-(35 TYR CG) 150.0 210.0
 &rst     iat =   531,   533,   535,   538,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 37 THR CHI1:  (37 THR N)-(37 THR CA)-(37 THR CB)-(37 THR OG1)  30.0  90.0
 &rst     iat =   566,   568,   570,   576,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 42 HIS CHI1:  (42 HIE N)-(42 HIE CA)-(42 HIE CB)-(42 HIE CG) -90.0 -30.0
 &rst     iat =   644,   646,   648,   651,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 43 LYS CHI1:  (43 LYS N)-(43 LYS CA)-(43 LYS CB)-(43 LYS CG) 150.0 210.0
 &rst     iat =   661,   663,   665,   668,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 45 VAL CHI1:  (45 VAL N)-(45 VAL CA)-(45 VAL CB)-(45 VAL CG1) -90.0 -30.0
 &rst     iat =   700,   702,   704,   706,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 46 LYS CHI1:  (46 LYS N)-(46 LYS CA)-(46 LYS CB)-(46 LYS CG) 150.0 210.0
 &rst     iat =   716,   718,   720,   723,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end


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