NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
491709 2jxz cing 1-original 2 AMBER distance NOE simple


#
# 1 CYS QB 2 GLY HN 5.3 
 &rst
   iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=8,9, rk2=20.0, rk3=20.0, ir6=1, 
 &end
#
# 1 NCY HA 2 GLY HN 3.0 
 &rst
   iat=   6,  14, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
      rk2=20.0, rk3=20.0, ir6=1,
 &end
#
#  1 NCY QB 7 CYN  HA 4.3 
  &rst
    iat=  -1, 81, r1= 3.30, r2= 3.80, r3= 4.30, r4= 4.80,
  igr1=8,9,
 rk2=20.0, rk3=20.0, ir6=1,
 &end
#
#
# 2 GLY QA 2 GLY HN 4.3 
 &rst
   iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=  16,  17,
 &end
#
# 3 ASN QB 3 ASN HN 3.6 
 &rst
   iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  25,  26,
 &end
#
#
# 3 ASN HA 4 LEU HN 2.6 
 &rst
   iat=  23,  35, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 3 ASN QB 4 LEU HN 2.6 
 &rst
   iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1=  25,  26,
 &end
#
# 3 ASN QB 5 SER HN 3.6 
 &rst
   iat=  -1,  54, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  25,  26,
 &end
#
# 3 ASN HN 4 LEU HN 4.3 
 &rst
   iat=  21,  35, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#
# 3 ASN HN 7 CYS HN 3.6 
 &rst
   iat=  21,  79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#
# 3 ASN QD2 3 ASN QB 2.6 
 &rst
   iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1=  30,  31,
 igr2=  25,  26,
 &end
#
#
# 4 LEU HA 4 LEU HN 2.9 
 &rst
   iat=  37,  35, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 4 LEU HB2 4 LEU HN 2.6 
 &rst
   iat=  39,  35, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 4 LEU HB3 4 LEU HN 3.6 
 &rst
   iat=  40,  35, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 4 LEU HA 5 SER HN 3.6  
 &rst
   iat=  37,  54, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 4 LEU HB3 5 SER HN 2.6 
 &rst
   iat=  40,  54, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 4 LEU HB2 5 SER HN 3.6 
 &rst
   iat=  39,  54, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 4 LEU QQD 5 SER HN 4.3 
 &rst
   iat=  -1,  54, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=  44,  45,  46,  48,  49,  50,
 &end
#
# 4 LEU QQD 8 MET HG2 4.3
 &rst
   iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=  44,  45,  46,  48,  49,  50,
 &end
#
# 4 LEU QQD 8 MET HG3 4.3
 &rst
   iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=  44,  45,  46,  48,  49,  50,
 &end
#
#
# 4 LEU HA 8 MET HN 4.3 
 &rst
   iat=  37,  89, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 &end
#
# 4 LEU HB3 6 THR HN 4.8 
 &rst
   iat=  40,  65, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
# 5 SER HN 5 SER HA 2.9 
 &rst
   iat=  54,  56, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 5 SER HN 5 SER QB 2.6 
 &rst
   iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr2=  58,  59,
 &end
#
# 5 SER HA 6 THR HN 3.6   
 &rst
   iat=  56,  65, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 5 SER QB 6 THR HN 3.6
 &rst
   iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  58,  59,
 &end
#
# 5 SER HA 8 MET HN 3.6
 &rst
   iat=  56,  89, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 5 SER HN 6 THR HN 2.6
 &rst
   iat=  54,  65, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 5 SER HN 7 CYS HN 4.3
 &rst
   iat=  54,  79, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 5 SER HA 8 MET HB3 4.8
 &rst
   iat=  56,  94, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
# 6 THR HA 6 THR HN 2.9
 &rst
   iat=  67,  65, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 6 THR HN 6 THR HB 2.6
 &rst
   iat=  65,  69, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#
# 6 THR HA 7 CYS HN 3.6
 &rst
   iat=  67,  79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 4 LEU HA 7 CYS HN 3.6 
 &rst
   iat=  37,  79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 THR HB 7 CYS HN 2.6
 &rst
   iat=  69,  79, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 6 THR QG2 7 CYS HN 4.3
 &rst
   iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=  71,  72,  73,
 &end
#
# 6 THR QG2 3 ASN QD2 4.8
 &rst
   iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  71,  72,  73,
 igr2=  30,  31,
 &end
#
#
# 6 THR HN 7 CYS HN 2.6
 &rst
   iat=  65,  79, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#
# 6 THR HA 9 LEU HB3 2.6  
 &rst
   iat=  67,  111, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 7 CYS HN 7 CYS HB2 2.6 
 &rst
   iat=  79,  83, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 7 CYS HN 7 CYS HB3 3.6 
 &rst
   iat=  79,  84, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 7 CYS HA 8 MET HN 3.6 
 &rst
   iat=  81,  89, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 7 CYS HB2 8 MET HN 3.6 
 &rst
   iat=  83,  89, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 7 CYS HB3 8 MET HN 4.3 
 &rst
   iat=  84,  89, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 &end
#
# 7 CYS HN 8 MET HN 3.0 
 &rst
   iat=  79,  89, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8 MET HN 8 MET HA 2.9 
 &rst
   iat=  89,  91, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 8 MET HN 8 MET HB3 3.6 
 &rst
   iat=  89,  94, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 8 MET HN 8 MET HB2 3.0 
 &rst
   iat=  89,  93, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 &end
#
# 8 MET HA 9 LEU HN 3.6 
 &rst
   iat=  91, 106, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 8 MET HA 10 GLY HN 4.8  
 &rst
   iat=  91, 125, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#
# 8 MET HB2 9 LEU HN 3.6 
 &rst
   iat=  93, 106, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 8 MET HB3 9 LEU HN 4.3 
 &rst
   iat=  94, 106, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 &end
#
# 8 MET HN 9 LEU HN 2.6 
 &rst
   iat=  89, 106, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#
# 8 MET HA 11 THR HB 2.6  
 &rst
   iat=  91, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#
# 8 MET HN 11 THR HN 4.8 
 &rst
   iat=  89, 132, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 8 MET HG2 9 LEU HN 4.8 
 &rst
   iat=  96, 106, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
# 8 MET HG3 9 LEU HN 5.3 
 &rst
   iat=  97, 106, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 &end
#
#
# 8 MET HG2 5 SER HN 4.8
 &rst
   iat=  96, 54, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
# 9 LEU HN 9 LEU HA 2.9
 &rst
   iat= 106, 108, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#
# 9 LEU HN 9 LEU HB2 2.6
 &rst
   iat= 106,  110, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 9 LEU HN 9 LEU HB3 2.6
 &rst
   iat= 106,  111, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#

# 9 LEU HN 10 GLY HN 2.6
 &rst
   iat= 106, 125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  9 LEU HA 10 GLY HN 3.6
 &rst
   iat= 108,  125, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 9 LEU HB3 8 MET HN 4.8
 &rst
   iat=  111,  89, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
# 9 LEU HB3 10 GLY HN 3.6
 &rst
   iat=  111, 125, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 9 LEU HB2 10 GLY HN 4.3
 &rst
   iat=  110, 125, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 &end
#
# 9 LEU QQD 10 GLY HN 4.3
 &rst
   iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 115, 116, 117, 119, 120, 121,
 &end
#
# 9 LEU HN 10 GLY HN 2.6 
 &rst
   iat= 106, 125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 9 LEU HA 12 LEU HB3 3.6 
 &rst
   iat= 108,  151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
#
#  9 LEU HA 10 GLY HN 3.6
 &rst
   iat= 108,  125, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 GLY HA3  10 GLY HN 2.6 
 &rst
   iat=  128, 125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 2.90,
 &end
#
# 10 GLY HA2  10 GLY HN 2.9 
 &rst
   iat=  127, 125, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 &end
#
# 10 GLY HA2  11 THR HN 3.6 
 &rst
   iat=  127, 132, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 10 GLY HA3  11 THR HN 2.9 
 &rst
   iat=  128, 132, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 &end
#
# 10 GLY HA2  9 LEU HN 5.3 
 &rst
   iat=  127, 106, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 &end
#
#
# 10 GLY HA3  9 LEU HN 4.8
 &rst
   iat=  128, 106, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
#
# 10 GLY HA3  13 THR HN 4.8 
 &rst
   iat=  128, 165, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
# 10 GLY HA2  13 THR HN 3.6 
 &rst
   iat=  127, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 10 GLY HN 11 THR HN 2.6 
 &rst
   iat= 125, 132, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 10 GLY HA2  13 THR HB 3.6 
 &rst
   iat=  127, 169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
#
# 11 THR HN 11 THR HA 2.9 
 &rst
   iat= 132, 134, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 11 THR HN 11 THR HB 2.6 
 &rst
   iat= 132, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 11 THR HB 12 LEU HN 3.6 
 &rst
   iat= 136, 146, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 THR HA 12 LEU HN 3.6  
 &rst
   iat= 134, 146, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 THR HN 12 LEU HN 2.6 
 &rst
   iat= 132, 146, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 11 THR HA 14 GLN QB 2.6  
 &rst
   iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr2= 183, 184,
 &end
#
# 12 LEU HN 12 LEU HA 2.9 
 &rst
   iat= 146, 148, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 12 LEU HN 12 LEU HB2 2.6 
 &rst
   iat= 146,  150, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 12 LEU HN 12 LEU HB3 2.6 
 &rst
   iat= 146,  151, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 12 LEU HB2 13 THR HN 4.3 
 &rst
   iat=  150, 165, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 &end
#
# 12 LEU HB3 13 THR HN 3.6
 &rst
   iat=  151, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
#  12 LEU QQD 13 THR HA 3.6  
  &rst
    iat= -1, 167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
     igr1= 155, 156, 157, 159, 160, 161, &end
#
#  12 LEU QQD 16 PHE QR 3.6  
  &rst
    iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
     igr1= 155, 156, 157, 159, 160, 161, 
     igr2= 216, 218,222,224, &end
#
# 12 LEU HG 13 THR HN 4.3 
 &rst
   iat= 153, 165, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 12 LEU HB2 11 THR HN 5.3 
 &rst
   iat=  150, 132, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 &end
#
# 12 LEU HB3 11 THR HN 4.8 
 &rst
   iat=  151, 132, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
#
# 12 LEU HN  13 THR HN 3.0  
 &rst
   iat= 146, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 12 LEU HN  14 GLN HN 4.3  
 &rst
   iat= 146, 179, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 12 LEU HA  15 ASP QB 4.3 
 &rst
   iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 200, 201,
 &end
#
# 12 LEU HA  13 THR HN 3.6  
 &rst
   iat= 148, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 THR HA  13 THR HN 2.9 
 &rst
   iat= 167, 165, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 13 THR HB  13 THR HN 2.9 
 &rst
   iat= 169, 165, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 13 THR HA  14 GLN HN 3.6 
 &rst
   iat= 167, 179, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 THR HB  14 GLN HN 2.6   
 &rst
   iat= 169, 179, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 13 THR HA  16 PHE HN 3.6   
 &rst
   iat= 167, 208, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 THR QG2  14 GLN HN 4.3  
 &rst
   iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 171, 172, 173,
 &end
#
# 13 THR HN  14 GLN HN 2.6  
 &rst
   iat= 165, 179, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 13 THR HN  15 ASP HN 4.3 
 &rst
   iat= 165, 196, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 13 THR HN  16 PHE HN 4.8 
 &rst
   iat= 165, 208, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 13 THR HA  16 PHE QR 3.6 
 &rst
   iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 216, 218,222,224,
 &end
#
# 13 THR HA  16 PHE QB 4.8  
 &rst
   iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 212, 213,
 &end
#
# 14 GLN HA  14 GLN HN 2.9  
 &rst
   iat= 181, 179, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 14 GLN QB  14 GLN HN 2.6  
 &rst
   iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 183, 184,
 &end
#
# 14 GLN HA  15 ASP HN 3.6  
 &rst
   iat= 181, 196, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 GLN QB  15 ASP HN 3.0  
 &rst
   iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 183, 184,
 &end
#
# 14 GLN QG   15 ASP HN 4.3  
 &rst
   iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 186, 187,
 &end
#
#
# 14 GLN HA  17 HIS HD2 3.6  
 &rst
   iat= 181, 241, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 GLN HA  17 HIS QB 2.6  
 &rst
   iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr2= 232, 233,
 &end
#
# 14 GLN HN  15 ASP HN 2.9  
 &rst
   iat= 179, 196, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 14 GLN QE2  14 GLN HA 4.3  
 &rst
   iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 191, 192,
 &end
#
# 14 GLN QE2  14 GLN QG 2.6  
 &rst
   iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 191, 192,
 igr2= 186, 187,
 &end
#
#
# 15 ASP HA  15 ASP HN 2.9  
 &rst
   iat= 198, 196, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 15 ASP HA  18 LYS QZ 3.0  
 &rst
   iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  
   igr2= 261,262,263,  &end
#
#
# 15 ASP HA  19 PHE HN 4.3  
 &rst
   iat= 198, 267, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
    &end
#
# 15 ASP QB  17 HIS HN 5.3 
 &rst
  iat=  228, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
   igr2=200, 201,
 &end
#
# 15 ASP QB  15 ASP HN 2.9  
 &rst
   iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 200, 201,
 &end
#
# 15 ASP HA  16 PHE HN 3.6  
 &rst
   iat= 198, 208, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 ASP QB  16 PHE HN 3.0  
 &rst
   iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 200, 201,
 &end
#
# 15 ASP QB  14 GLN HN 4.8  
 &rst
   iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 200, 201,
 &end
#
#  15 ASP QB 19 PHE QR 5.3
 &rst
   iat=  -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 200, 201,
 igr2= 275,277,281,283, &end
##
#
# 15 ASP HN  16 PHE HN 2.6  
 &rst
   iat= 196, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 15 ASP HA  18 LYS QB/QD 3.6 
 &rst
   iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 249, 250,255,256,
 &end
#
# 16 PHE HN  18 LYS HN 4.3 
 &rst
   iat= 208, 245, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 16 PHE HN  12 LEU QQD 5.5 
 &rst
   iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 155, 156, 157, 159, 160, 161,
 &end
#
# 16 PHE HN  12 LEU HG 4.8 
 &rst
   iat= 208, 153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 &end
#
#
# 16 PHE HA  16 PHE HN 3.0  
 &rst
   iat= 210, 208, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 16 PHE QB  16 PHE HN 2.6  
 &rst
   iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 212, 213,
 &end
#
#  16 PHE HA 16 PHE QR 2.9
 &rst
   iat= 210, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
   igr2= 216,218,222,224, &end
#
#  16 PHE QB 16 PHE QR 3.0
 &rst
   iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
   igr1= 212, 213,
   igr2= 216,218,222,224, &end
#
# 16 PHE QB  15 ASP HN 4.8  
 &rst
   iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 212, 213,
 &end
#
#  16 PHE QR 15 ASP QB 5.3  
 &rst
   iat=  -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 216, 218,  222, 224,
 igr2= 200, 201,  &end
#
#
# 16 PHE HN  17 HIS HN 3.0  
 &rst
   iat= 208, 228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 16 PHE HN  14 GLN HN 4.3 
 &rst
   iat= 208, 179, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 16 PHE HA  19 PHE HB2 2.6  
 &rst
   iat= 210,  271, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 16 PHE HA  17 HIS HN 3.6  
 &rst
   iat= 210, 228, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 PHE QB  17 HIS HN 3.0  
 &rst
   iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 212, 213,
 &end
#
# 17 HIS HN  17 HIS HA 2.9
 &rst
   iat= 228, 230, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 17 HIS QB  17 HIS HN 2.6
 &rst
   iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 232, 233,
 &end
#
# 17 HIS QB  18 LYS HN 3.0
 &rst
   iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 232, 233,
 &end
#
#
# 17 HIS HA  18 LYS HN 3.6  
 &rst
   iat= 230, 245, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#
# 17 HIS HA  21 THR HN 4.3 
 &rst
   iat= 230, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 17 HIS HD2  18 LYS HN 3.0 
 &rst
   iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 17 HIS HE1  29 VAL QG 4.8 
 &rst
   iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  
  igr2= 424,425,426,428,429,430, &end
#
#
# 17 HIS HN  18 LYS HN 2.6 
 &rst
   iat= 228, 245, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#
# 17 HIS HD2  14 GLN QB 4.8
 &rst
   iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 183, 184,
 &end
#
# 17 HIS HD2  29 VAL QQG 4.8
 &rst
   iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#
# 18 LYS HA  18 LYS HN 3.0
 &rst
   iat= 247, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#
# 18 LYS HA  20 HIS HN 4.3 
 &rst
   iat= 247, 287, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#
# 18 LYS QB/QD  18 LYS HN 2.6
 &rst
   iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 249, 250,255,256,
 &end
#
# 18 LYS QB  17 HIS HN 4.8  
 &rst
   iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 249, 250
 &end
#
# 18 LYS HA  17 HIS HD2 4.8  
 &rst
   iat= 247, 241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 18 LYS QB/QD  17 HIS HD2 4.8  
 &rst
   iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 249, 250,255,256,
 &end
#
# 18 LYS QG  17 HIS HD2 4.3  
 &rst
   iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 252, 253,
 &end
#
# 18 LYS HN  19 PHE HN 3.0  
 &rst
   iat= 245, 267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 18 LYS HA  19 PHE HN 3.6  
 &rst
   iat= 247, 267, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 LYS QB/QD  19 PHE HN 3.0  
 &rst
   iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 249, 250,255,256,
 &end
#
# 19 PHE HA  19 PHE HN 2.9 
 &rst
   iat= 269, 267, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  19 PHE HA 19 PHE QR 2.9
 &rst
   iat= 269, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
    igr2=275,277,281,283, &end
#
#  19 PHE HB2 19 PHE QR 3.0
 &rst
   iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
   igr2=275, 277,281,283, &end
#
#  19 PHE HB3 19 PHE QR 3.0
 &rst
   iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
   igr2=275, 277,281,283, &end
#
# 19 PHE HB3  19 PHE HN 3.6 
 &rst
   iat=  272, 267, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 271, 272,
 &end
#
# 19 PHE HB2  19 PHE HN 2.6 
 &rst
   iat=  271, 267, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 19 PHE HA  20 HIS HN 3.6 
 &rst
   iat= 269, 287, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
##
#  17 HIS HA 20 HIS HD2 4.3 
 &rst
   iat= 230, 300, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 19 PHE HN  20 HIS HN 2.6 
 &rst
   iat= 267, 287, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 20 HIS HA  20 HIS HN 3.6 
 &rst
   iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  20 HIS HA 22 PHE HN 4.3
 &rst
   iat= 289, 318, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 HIS HB2  20 HIS HN 3.6 
 &rst
   iat=  291, 287, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 20 HIS HB3  20 HIS HN 2.6 
 &rst
   iat=  292, 287, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 20 HIS HA  21 THR HN 3.6 
 &rst
   iat= 289, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#
# 20 HIS HB3  21 THR HN 3.6 
 &rst
   iat=  292, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 20 HIS HB2  21 THR HN 4.3 
 &rst
   iat=  291, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 &end
#
# 20 HIS HA  20 HIS HD2 4.3 
 &rst
   iat= 289, 300, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#
# 20 HIS HN  21 THR HN 2.6 
 &rst
   iat= 287, 304, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#
# 20 HIS HD2  20 HIS HB3 2.6 
 &rst
   iat= 300,  292, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 &end
#
# 20 HIS HD2  21 THR HN 3.6
 &rst
   iat= 300,  304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 &end
#
# 20 HIS HD2  21 THR QG2 4.3 
 &rst
   iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 310, 311, 312,
 &end
#
# 21 THR HA  21 THR HN 3.6 
 &rst
   iat= 306, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 THR HB  21 THR HN 3.6 
 &rst
   iat= 308, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 THR HA  22 PHE HN 3.6   
 &rst
   iat= 306, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 THR HB  22 PHE HN 4.3  
 &rst
   iat= 308, 318, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 21 THR QG2  22 PHE HN 3.6  
 &rst
   iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 310, 311, 312,
 &end
#
# 21 THR HN  22 PHE HN 2.6  
 &rst
   iat= 304, 318, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 21 THR QG2  31 THR HN 4.3  
 &rst
   iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 310, 311, 312,
 &end
#
# 22 PHE HA  22 PHE HN 3.6  
 &rst
   iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 PHE QB  22 PHE HN 3.0  
 &rst
   iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
  igr1=322,323,
 &end
#
#
# 22 PHE HA  23 PRO QD 2.6  
 &rst
   iat= 320, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, 
   igr2 =339, 340,  &end
#
#
# 22 PHE QB  23 PRO QD 4.8  
 &rst
   iat=  -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=322,323,
 igr2= 339, 340,
 &end
#
#
#  22 PHE QR 23 PRO QD 3.6
 &rst
   iat=  -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 326,328,332, 334, 
 igr2=339,340, &end
#
#
# 22 PHE QB  31 THR HN 4.8  
 &rst
   iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
   igr1=322,323,
 &end
#
# 23 PRO QB   24 GLN HN 3.6  
 &rst
   iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 345, 346,
 &end
#
# 23 PRO QD   22 PHE HN 4.8  
 &rst
   iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, 
   igr1= 339,340,
 &end

#
#
 #  22 PHE QR 32 PRO QB 4.8
  &rst
   iat=  -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
  igr1= 326,328,332, 334,
  igr2= 462, 463, &end
#
 #  22 PHE QR 22 PHE QB 3.0
  &rst
   iat=  -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
  igr1= 326,328,332, 334,
  igr2= 322, 323, &end
#
 #  22 PHE QR 22 PHE HA 2.9
  &rst
   iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
  igr1= 326,328,332, 334,
   &end
#
# 23 PRO QD  24 GLN HN 4.8  
 &rst
   iat= -1, 352, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
   igr1= 339,340,   &end
#
#
# 24 GLN HA  24 GLN HN 3.0  
 &rst
   iat= 354, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#
# 24 GLN QB   24 GLN HN 2.6  
 &rst
   iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
  igr1 =356,357,
 &end
#
#
# 24 GLN QB  25 THR HN 4.8  
 &rst
   iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 356, 357,
 &end
#
#
# 24 GLN QG  25 THR HN 4.3  
 &rst
   iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 359, 360,
 &end
#
# 24 GLN HN  25 THR HN 2.6  
 &rst
   iat= 352, 369, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 24 GLN HA  25 THR HN 3.6  
 &rst
   iat= 354, 369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 GLN HN  23 PRO QG 3.6  
 &rst
   iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 342, 343,
 &end
#
# 24 GLN QE2  24 GLN QG 2.6 
 &rst
   iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 364, 365,
 igr2= 359, 360,
 &end
#
# 24 GLN QE2  24 GLN QB 4.8 
 &rst
   iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 364, 365,
 igr2=356,357,
 &end
#
# 25 THR HA/HB  25 THR HN 2.9
 &rst
   iat= -1, 369, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
   igr1=371,373, &end
#
# 25 THR HN  22 PHE QB 4.3  
 &rst
   iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, 
  igr2= 322,323, &end
#
##
# 25 THR HA/HB  24 GLN QE2 3.6
 &rst
   iat= -1, -1 , r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=371,373,
 igr2=364,365,
 &end
#
# 25 THR QG2  26 ASN HN 3.6
 &rst
   iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 375, 376, 377,
 &end
#
# 25 THR HN  26 ASN HN 3.6
 &rst
   iat= 369, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 THR HA  26 ASN HN 3.6  
 &rst
   iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 ASN HA  26 ASN HN 3.6 
 &rst
   iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 ASN QB  26 ASN HN 4.3 
 &rst
   iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 387, 388,
 &end
#
#
# 26 ASN HA  27 THR HN 3.6 
 &rst
   iat= 385, 397, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 ASN QB  27 THR HN 5.3 
 &rst
   iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 387, 388,
 &end
#
# 26 ASN HN  27 THR HN 4.3 
 &rst
   iat= 383, 397, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 26 ASN QD2  26 ASN QB 3.6 
 &rst
   iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 392, 393,
 igr2= 387, 388,
 &end
#
#
# 27 THR HA/HB  27 THR HN 3.0 
 &rst
   iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  
   igr1=399,401, &end
#
#
# 27 THR HA/HB  28 GLY HN 3.6 
 &rst
   iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, 
  igr1=399,401, &end
#
#
# 27 THR QG2  28 GLY HN 3.6 
 &rst
   iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 403, 404, 405,
 &end
#
# 27 THR HN  28 GLY HN 3.6 
 &rst
   iat= 397, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 GLY QA  28 GLY HN 2.6 
 &rst
   iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 413, 414,
 &end
#
# 28 GLY QA  29 VAL HN 2.6 
 &rst
   iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,
 igr1= 413, 414,
 &end
#
# 28 GLY HN  29 VAL HN 3.0 
 &rst
   iat= 411, 418, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#
# 29 VAL HN  29 VAL HA 3.6 
 &rst
   iat= 418, 420, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 VAL HN  29 VAL HB 3.6 
 &rst
   iat= 418, 422, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 VAL HA  30 GLY HN 3.6 
 &rst
   iat= 420, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 VAL HB  30 GLY HN 4.8 
 &rst
   iat= 422, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#
# 4 LEU QQD  8 MET HN 4.8 
 &rst
   iat=  -1, 89, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 44,45,46,48,49,50,
 &end
#
# 29 VAL HN  30 GLY HN 3.0 
 &rst
   iat= 418, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29 VAL QQG  30 GLY HN 3.6 
 &rst
   iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#

#
# 30 GLY HN  31 THR HN 3.0 
 &rst
   iat= 434, 441, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#
# 30 GLY QA  30 GLY HN 3.6 
 &rst
   iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 436, 437,
 &end
#
# 30 GLY QA  31 THR HN 3.6 
 &rst
   iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 436, 437,
 &end
#
# 31 THR HB  31 THR HN 3.6 
 &rst
   iat= 445, 441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end



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