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

27038 2otq cing 1-original 1 AMBER distance NOE simple
#
#  AMBER restraint file
#  data derived from rfwddp_noesy80.mdg 
#  Fri Mar 12 17:31:01 2004
#


# distance restraint 1 
# atom 1:           ARG 1 H
# pseudoatom 2:     ARG 1 HB2

 &rst 
  iat= 2,  -1, 
  igr2= 6, 7, 0,
  r1=  0.82, r2=  1.32, r3=  4.74, r4=  5.24,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 2 
# atom 1:           ARG 1 H
# pseudoatom 2:     ARG 1 HG2

 &rst 
  iat= 2,  -1, 
  igr2= 9, 10, 0,
  r1=  0.97, r2=  1.47, r3=  4.38, r4=  4.88,
  rk2= 20, rk3= 20,
 &end 



# distance restraint 7 
# atom 1:           ARG 1 H
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= 2,  -1, 
  igr2= 122, 123, 0,
  r1=  0.96, r2=  1.46, r3=  4.49, r4=  4.99,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 9 
# atom 1:           ARG 1 HA
# pseudoatom 2:     ARG 1 HB2

 &rst 
  iat= 4,  -1, 
  igr2= 6, 7, 0,
  r1=  0.71, r2=  1.21, r3=  4.77, r4=  5.27,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 10 
# atom 1:           ARG 1 HA
# pseudoatom 2:     ARG 1 HD2

 &rst 
  iat= 4,  -1, 
  igr2= 12, 13, 0,
  r1=  1.18, r2=  1.68, r3=  5.39, r4=  5.89,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 11 
# atom 1:           ARG 1 HA
# pseudoatom 2:     ARG 1 HG2

 &rst 
  iat= 4,  -1, 
  igr2= 9, 10, 0,
  r1=  0.68, r2=  1.18, r3=  4.74, r4=  5.24,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 13 
# pseudoatom 1:     ARG 1 HB2
# pseudoatom 2:     ARG 1 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 6, 7, 0,
  igr2= 12, 13, 0,
  r1=  0.05, r2=  0.55, r3=  5.22, r4=  5.72,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 14 
# pseudoatom 1:     ARG 1 HB2
# atom 2:           ARG 2 H

 &rst 
  iat= -1,  26, 
  igr1= 6, 7, 0,
  r1=  1.11, r2=  1.61, r3=  4.74, r4=  5.24,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 15 
# pseudoatom 1:     ARG 1 HB2
# pseudoatom 2:     ARG 2 HB2

 &rst 
  iat= -1,  -1, 
  igr1= 6, 7, 0,
  igr2= 30, 31, 0,
  r1=  1.21, r2=  1.71, r3=  6.27, r4=  6.77,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 16 
# pseudoatom 1:     ARG 1 HD2
# atom 2:           ARG 1 H

 &rst 
  iat= -1,  2, 
  igr1= 12, 13, 0,
  r1=  2.00, r2=  2.50, r3=  5.28, r4=  5.78,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 17 
# pseudoatom 1:     ARG 1 HD2
# pseudoatom 2:     ARG 1 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 12, 13, 0,
  igr2= 9, 10, 0,
  r1=  0.00, r2=  0.14, r3=  4.86, r4=  5.36,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 18 
# pseudoatom 1:     ARG 1 HD2
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= -1,  -1, 
  igr1= 12, 13, 0,
  igr2= 122, 123, 0,
  r1=  0.01, r2=  0.51, r3=  5.23, r4=  5.73,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 19 
# atom 1:           ARG 1 HE
# pseudoatom 2:     ARG 1 HD2

 &rst 
  iat= 15,  -1, 
  igr2= 12, 13, 0,
  r1=  1.42, r2=  1.92, r3=  4.70, r4=  5.20,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 20 
# atom 1:           ARG 2 H
# pseudoatom 2:     ARG 2 HB2

 &rst 
  iat= 26,  -1, 
  igr2= 30, 31, 0,
  r1=  1.36, r2=  1.86, r3=  5.02, r4=  5.52,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 21 
# atom 1:           ARG 2 H
# pseudoatom 2:     ARG 2 HG2

 &rst 
  iat= 26,  -1, 
  igr2= 33, 34, 0,
  r1=  1.48, r2=  1.98, r3=  5.79, r4=  6.29,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 22 
# atom 1:           ARG 2 H
# atom 2:           TRP 3 H

 &rst 
  iat= 26,  50, 
  r1=  3.15, r2=  3.55, r3=  4.60, r4=  5.10,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 24 
# atom 1:           ARG 2 HA
# pseudoatom 2:     ARG 2 HB2

 &rst 
  iat= 28,  -1, 
  igr2= 30, 31, 0,
  r1=  0.79, r2=  1.29, r3=  4.98, r4=  5.48,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 25 
# atom 1:           ARG 2 HA
# pseudoatom 2:     ARG 2 HD2

 &rst 
  iat= 28,  -1, 
  igr2= 36, 37, 0,
  r1=  1.48, r2=  1.98, r3=  4.88, r4=  5.38,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 26 
# atom 1:           ARG 2 HA
# atom 2:           TRP 3 H

 &rst 
  iat= 28,  50, 
  r1=  1.71, r2=  2.21, r3=  3.96, r4=  4.46,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 28 
# pseudoatom 1:     ARG 2 HB2
# pseudoatom 2:     ARG 2 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 30, 31, 0,
  igr2= 36, 37, 0,
  r1=  0.00, r2=  0.42, r3=  5.68, r4=  6.18,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 29 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           TRP 3 H

 &rst 
  iat= -1,  50, 
  igr1= 30, 31, 0,
  r1=  1.17, r2=  1.67, r3=  4.53, r4=  5.03,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 30 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  58, 
  igr1= 30, 31, 0,
  r1=  1.64, r2=  2.14, r3=  5.84, r4=  6.34,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 31 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  69, 
  igr1= 30, 31, 0,
  r1=  2.80, r2=  3.30, r3=  6.18, r4=  6.68,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 32 
# pseudoatom 1:     ARG 2 HB2
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 30, 31, 0,
  igr2= 82, 90, 0,
  r1=  0.50, r2=  1.00, r3=  8.59, r4=  9.09,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 33 
# pseudoatom 1:     ARG 2 HB2
# pseudoatom 2:     PHE 4 HE1

 &rst 
  iat= -1,  -1, 
  igr1= 30, 31, 0,
  igr2= 84, 88, 0,
  r1=  0.00, r2=  0.40, r3=  7.87, r4=  8.37,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 34 
# pseudoatom 1:     ARG 2 HD2
# pseudoatom 2:     PHE 4 HE1

 &rst 
  iat= -1,  -1, 
  igr1= 36, 37, 0,
  igr2= 84, 88, 0,
  r1=  0.03, r2=  0.53, r3=  7.70, r4=  8.20,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 35 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           ARG 2 HA

 &rst 
  iat= -1,  28, 
  igr1= 33, 34, 0,
  r1=  2.17, r2=  2.67, r3=  5.45, r4=  5.95,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 36 
# pseudoatom 1:     ARG 2 HG2
# pseudoatom 2:     ARG 2 HB2

 &rst 
  iat= -1,  -1, 
  igr1= 33, 34, 0,
  igr2= 30, 31, 0,
  r1=  0.00, r2=  0.00, r3=  4.73, r4=  5.23,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 37 
# pseudoatom 1:     ARG 2 HG2
# pseudoatom 2:     ARG 2 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 33, 34, 0,
  igr2= 36, 37, 0,
  r1=  0.07, r2=  0.57, r3=  5.22, r4=  5.72,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 38 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 3 H

 &rst 
  iat= -1,  50, 
  igr1= 33, 34, 0,
  r1=  1.81, r2=  2.31, r3=  5.09, r4=  5.59,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 39 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  58, 
  igr1= 33, 34, 0,
  r1=  1.77, r2=  2.27, r3=  5.92, r4=  6.42,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 40 
# atom 1:           TRP 3 H
# atom 2:           TRP 3 HA

 &rst 
  iat= 50,  52, 
  r1=  1.76, r2=  2.26, r3=  4.42, r4=  4.92,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 41 
# atom 1:           TRP 3 H
# pseudoatom 2:     TRP 3 HB2

 &rst 
  iat= 50,  -1, 
  igr2= 54, 55, 0,
  r1=  1.18, r2=  1.68, r3=  4.50, r4=  5.00,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 43 
# atom 1:           TRP 3 H
# atom 2:           TRP 3 HE3

 &rst 
  iat= 50,  69, 
  r1=  3.73, r2=  4.23, r3=  5.23, r4=  5.73,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 44 
# atom 1:           TRP 3 H
# atom 2:           PHE 4 H

 &rst 
  iat= 50,  74, 
  r1=  3.09, r2=  3.09, r3=  3.59, r4=  4.09,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 45 
# atom 1:           TRP 3 H
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= 50,  -1, 
  igr2= 82, 90, 0,
  r1=  0.79, r2=  1.29, r3=  6.98, r4=  7.48,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 46 
# atom 1:           TRP 3 HA
# pseudoatom 2:     TRP 3 HB2

 &rst 
  iat= 52,  -1, 
  igr2= 54, 55, 0,
  r1=  0.68, r2=  1.18, r3=  4.86, r4=  5.36,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 47 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 HD1

 &rst 
  iat= 52,  58, 
  r1=  1.87, r2=  2.37, r3=  4.52, r4=  5.02,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 49 
# atom 1:           TRP 3 HA
# atom 2:           PHE 4 H

 &rst 
  iat= 52,  74, 
  r1=  1.92, r2=  2.42, r3=  3.42, r4=  3.92,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 50 
# atom 1:           TRP 3 HA
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= 52,  -1, 
  igr2= 82, 90, 0,
  r1=  1.73, r2=  2.23, r3=  7.55, r4=  8.05,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 51 
# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  58, 
  igr1= 54, 55, 0,
  r1=  1.36, r2=  1.86, r3=  4.96, r4=  5.46,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 52 
# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  69, 
  igr1= 54, 55, 0,
  r1=  0.76, r2=  1.26, r3=  4.42, r4=  4.92,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 53 
# pseudoatom 1:     TRP 3 HB2
# atom 2:           PHE 4 H

 &rst 
  iat= -1,  74, 
  igr1= 54, 55, 0,
  r1=  1.43, r2=  1.93, r3=  4.78, r4=  5.28,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 54 
# pseudoatom 1:     TRP 3 HB2
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 54, 55, 0,
  igr2= 82, 90, 0,
  r1=  0.00, r2=  0.00, r3=  6.65, r4=  7.15,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 55 
# atom 1:           TRP 3 HD1
# atom 2:           TRP 3 HE1

 &rst 
  iat= 58,  60, 
  r1=  1.53, r2=  2.03, r3=  3.09, r4=  3.59,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 56 
# atom 1:           TRP 3 HE1
# atom 2:           TRP 3 HH2

 &rst 
  iat= 60,  65, 
  r1=  3.79, r2=  4.29, r3=  5.87, r4=  6.37,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 57 
# atom 1:           TRP 3 HE1
# atom 2:           TRP 3 HZ2

 &rst 
  iat= 60,  63, 
  r1=  1.80, r2=  2.30, r3=  3.46, r4=  3.96,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 58 
# atom 1:           TRP 3 HE1
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= 60,  -1, 
  igr2= 82, 90, 0,
  r1=  0.74, r2=  1.24, r3=  7.11, r4=  7.61,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 59 
# atom 1:           TRP 3 HE1
# pseudoatom 2:     PHE 4 HE1

 &rst 
  iat= 60,  -1, 
  igr2= 84, 88, 0,
  r1=  2.11, r2=  2.61, r3=  7.95, r4=  8.45,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 60 
# atom 1:           TRP 3 HE3
# pseudoatom 2:     PHE 4 HB2

 &rst 
  iat= 69,  -1, 
  igr2= 78, 79, 0,
  r1=  2.05, r2=  2.55, r3=  5.54, r4=  6.04,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 61 
# atom 1:           TRP 3 HH2
# atom 2:           TRP 3 HZ2

 &rst 
  iat= 65,  63, 
  r1=  1.50, r2=  2.00, r3=  3.00, r4=  3.50,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 62 
# atom 1:           TRP 3 HZ3
# atom 2:           TRP 3 HE3

 &rst 
  iat= 67,  69, 
  r1=  1.35, r2=  1.85, r3=  2.85, r4=  3.35,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 63 
# atom 1:           PHE 4 H
# pseudoatom 2:     PHE 4 HB2

 &rst 
  iat= 74,  -1, 
  igr2= 78, 79, 0,
  r1=  1.16, r2=  1.66, r3=  5.61, r4=  6.11,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 64 
# atom 1:           PHE 4 HA
# atom 2:           TRP 3 HE3

 &rst 
  iat= 76,  69, 
  r1=  2.68, r2=  3.18, r3=  4.18, r4=  4.68,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 65 
# atom 1:           PHE 4 HA
# atom 2:           PHE 4 H

 &rst 
  iat= 76,  74, 
  r1=  2.19, r2=  2.69, r3=  3.69, r4=  4.19,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 66 
# atom 1:           PHE 4 HA
# pseudoatom 2:     PHE 4 HB2

 &rst 
  iat= 76,  -1, 
  igr2= 78, 79, 0,
  r1=  0.00, r2=  0.00, r3=  5.08, r4=  5.58,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 67 
# atom 1:           PHE 4 HA
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= 76,  -1, 
  igr2= 82, 90, 0,
  r1=  0.00, r2=  0.48, r3=  5.80, r4=  6.30,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 68 
# atom 1:           PHE 4 HA
# pseudoatom 2:     PHE 4 HE1

 &rst 
  iat= 76,  -1, 
  igr2= 84, 88, 0,
  r1=  1.26, r2=  1.76, r3=  7.08, r4=  7.58,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 69 
# atom 1:           PHE 4 HA
# atom 2:           TRP 5 H

 &rst 
  iat= 76,  94, 
  r1=  2.06, r2=  2.56, r3=  3.56, r4=  4.06,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 70 
# pseudoatom 1:     PHE 4 HB2
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 78, 79, 0,
  igr2= 82, 90, 0,
  r1=  0.00, r2=  0.00, r3=  6.29, r4=  6.79,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 71 
# pseudoatom 1:     PHE 4 HB2
# pseudoatom 2:     PHE 4 HE1

 &rst 
  iat= -1,  -1, 
  igr1= 78, 79, 0,
  igr2= 84, 88, 0,
  r1=  0.47, r2=  0.97, r3=  8.07, r4=  8.57,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 72 
# pseudoatom 1:     PHE 4 HB2
# atom 2:           TRP 5 HE3

 &rst 
  iat= -1,  113, 
  igr1= 78, 79, 0,
  r1=  2.22, r2=  2.72, r3=  5.78, r4=  6.28,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 73 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  58, 
  igr1= 82, 90, 0,
  r1=  0.96, r2=  1.46, r3=  6.78, r4=  7.28,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 74 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  69, 
  igr1= 82, 90, 0,
  r1=  0.40, r2=  0.90, r3=  6.22, r4=  6.72,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 75 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 3 HZ2

 &rst 
  iat= -1,  63, 
  igr1= 82, 90, 0,
  r1=  1.04, r2=  1.54, r3=  6.86, r4=  7.36,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 76 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 3 HZ3

 &rst 
  iat= -1,  67, 
  igr1= 82, 90, 0,
  r1=  1.39, r2=  1.89, r3=  7.21, r4=  7.71,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 77 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 5 H

 &rst 
  iat= -1,  94, 
  igr1= 82, 90, 0,
  r1=  1.02, r2=  1.52, r3=  6.84, r4=  7.34,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 78 
# pseudoatom 1:     PHE 4 HD1
# pseudoatom 2:     TRP 5 HB2

 &rst 
  iat= -1,  -1, 
  igr1= 82, 90, 0,
  igr2= 98, 99, 0,
  r1=  0.00, r2=  0.00, r3=  7.31, r4=  7.81,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 79 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 5 HE3

 &rst 
  iat= -1,  113, 
  igr1= 82, 90, 0,
  r1=  0.15, r2=  0.65, r3=  5.97, r4=  6.47,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 80 
# pseudoatom 1:     PHE 4 HD1
# atom 2:           TRP 5 HZ3

 &rst 
  iat= -1,  111, 
  igr1= 82, 90, 0,
  r1=  0.74, r2=  1.24, r3=  6.56, r4=  7.06,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 81 
# pseudoatom 1:     PHE 4 HE1
# pseudoatom 2:     TRP 5 HB2

 &rst 
  iat= -1,  -1, 
  igr1= 84, 88, 0,
  igr2= 98, 99, 0,
  r1=  0.00, r2=  0.26, r3=  8.22, r4=  8.72,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 82 
# atom 1:           TRP 5 HA
# pseudoatom 2:     PHE 4 HD1

 &rst 
  iat= 96,  -1, 
  igr2= 82, 90, 0,
  r1=  1.34, r2=  1.84, r3=  7.16, r4=  7.66,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 83 
# atom 1:           TRP 5 HA
# atom 2:           TRP 5 H

 &rst 
  iat= 96,  94, 
  r1=  1.90, r2=  2.40, r3=  3.40, r4=  3.90,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 84 
# atom 1:           TRP 5 HA
# pseudoatom 2:     TRP 5 HB2

 &rst 
  iat= 96,  -1, 
  igr2= 98, 99, 0,
  r1=  0.81, r2=  1.31, r3=  4.13, r4=  4.63,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 88 
# pseudoatom 1:     TRP 5 HB2
# atom 2:           TRP 5 HD1

 &rst 
  iat= -1,  102, 
  igr1= 98, 99, 0,
  r1=  0.98, r2=  1.48, r3=  4.66, r4=  5.16,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 89 
# pseudoatom 1:     TRP 5 HB2
# atom 2:           TRP 5 HE3

 &rst 
  iat= -1,  113, 
  igr1= 98, 99, 0,
  r1=  0.82, r2=  1.32, r3=  4.47, r4=  4.97,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 90 
# pseudoatom 1:     TRP 5 HB2
# atom 2:           ARG 6 H

 &rst 
  iat= -1,  118, 
  igr1= 98, 99, 0,
  r1=  1.10, r2=  1.60, r3=  4.54, r4=  5.04,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 91 
# atom 1:           TRP 5 HD1
# atom 2:           TRP 5 HE1

 &rst 
  iat= 102,  104, 
  r1=  1.49, r2=  1.99, r3=  3.04, r4=  3.54,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 92 
# atom 1:           TRP 5 HD1
# atom 2:           ARG 6 H

 &rst 
  iat= 102,  118, 
  r1=  2.73, r2=  3.23, r3=  5.00, r4=  5.50,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 93 
# atom 1:           TRP 5 HD1
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= 102,  -1, 
  igr2= 122, 123, 0,
  r1=  1.63, r2=  2.13, r3=  6.08, r4=  6.58,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 94 
# atom 1:           TRP 5 HD1
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= 102,  -1, 
  igr2= 125, 126, 0,
  r1=  1.76, r2=  2.26, r3=  5.99, r4=  6.49,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 95 
# atom 1:           TRP 5 HE1
# atom 2:           TRP 5 HZ2

 &rst 
  iat= 104,  107, 
  r1=  1.76, r2=  2.26, r3=  3.41, r4=  3.91,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 96 
# atom 1:           TRP 5 HE3
# pseudoatom 2:     PHE 4 HE1

 &rst 
  iat= 113,  -1, 
  igr2= 84, 88, 0,
  r1=  0.67, r2=  1.17, r3=  6.49, r4=  6.99,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 97 
# atom 1:           TRP 5 HE3
# atom 2:           TRP 5 HZ3

 &rst 
  iat= 113,  111, 
  r1=  1.43, r2=  1.93, r3=  3.00, r4=  3.50,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 98 
# atom 1:           TRP 5 HH2
# atom 2:           TRP 5 HZ2

 &rst 
  iat= 109,  107, 
  r1=  1.30, r2=  1.80, r3=  2.80, r4=  3.30,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 99 
# atom 1:           ARG 6 H
# atom 2:           TRP 5 HE3

 &rst 
  iat= 118,  113, 
  r1=  3.95, r2=  4.45, r3=  5.45, r4=  5.95,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 100 
# atom 1:           ARG 6 H
# atom 2:           ARG 6 HA

 &rst 
  iat= 118,  120, 
  r1=  1.62, r2=  2.12, r3=  3.45, r4=  3.95,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 101 
# atom 1:           ARG 6 H
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= 118,  -1, 
  igr2= 122, 123, 0,
  r1=  1.19, r2=  1.69, r3=  4.79, r4=  5.29,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 102 
# atom 1:           ARG 6 H
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= 118,  -1, 
  igr2= 125, 126, 0,
  r1=  1.52, r2=  2.02, r3=  5.98, r4=  6.48,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 103 
# atom 1:           ARG 6 HA
# atom 2:           TRP 5 HD1

 &rst 
  iat= 120,  102, 
  r1=  3.39, r2=  3.89, r3=  4.89, r4=  5.39,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 104 
# atom 1:           ARG 6 HA
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= 120,  -1, 
  igr2= 122, 123, 0,
  r1=  0.79, r2=  1.29, r3=  4.46, r4=  4.96,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 105 
# atom 1:           ARG 6 HA
# pseudoatom 2:     ARG 6 HD2

 &rst 
  iat= 120,  -1, 
  igr2= 128, 129, 0,
  r1=  1.59, r2=  2.09, r3=  7.21, r4=  7.71,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 106 
# atom 1:           ARG 6 HA
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= 120,  -1, 
  igr2= 125, 126, 0,
  r1=  1.25, r2=  1.75, r3=  4.79, r4=  5.29,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 107 
# pseudoatom 1:     ARG 6 HB2
# atom 2:           TRP 5 HE3

 &rst 
  iat= -1,  113, 
  igr1= 122, 123, 0,
  r1=  2.53, r2=  3.03, r3=  5.81, r4=  6.31,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 108 
# pseudoatom 1:     ARG 6 HB2
# pseudoatom 2:     ARG 6 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 122, 123, 0,
  igr2= 128, 129, 0,
  r1=  0.22, r2=  0.72, r3=  5.56, r4=  6.06,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 109 
# pseudoatom 1:     ARG 6 HB2
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 122, 123, 0,
  igr2= 125, 126, 0,
  r1=  0.00, r2=  0.50, r3=  5.29, r4=  5.79,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 110 
# pseudoatom 1:     ARG 6 HD2
# atom 2:           TRP 5 HD1

 &rst 
  iat= -1,  102, 
  igr1= 128, 129, 0,
  r1=  1.54, r2=  2.04, r3=  5.40, r4=  5.90,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 111 
# pseudoatom 1:     ARG 6 HD2
# atom 2:           TRP 5 HE1

 &rst 
  iat= -1,  104, 
  igr1= 128, 129, 0,
  r1=  2.61, r2=  3.11, r3=  6.47, r4=  6.97,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 112 
# pseudoatom 1:     ARG 6 HD2
# atom 2:           TRP 5 HZ2

 &rst 
  iat= -1,  107, 
  igr1= 128, 129, 0,
  r1=  1.54, r2=  2.04, r3=  4.95, r4=  5.45,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 113 
# pseudoatom 1:     ARG 6 HD2
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 128, 129, 0,
  igr2= 125, 126, 0,
  r1=  0.19, r2=  0.69, r3=  5.34, r4=  5.84,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 114 
# pseudoatom 1:     ARG 6 HG2
# atom 2:           TRP 5 HE1

 &rst 
  iat= -1,  104, 
  igr1= 125, 126, 0,
  r1=  2.31, r2=  2.81, r3=  6.40, r4=  6.90,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 115 
# pseudoatom 1:     ARG 6 HG2
# atom 2:           ARG 1 H

 &rst 
  iat= -1,  2, 
  igr1= 125, 126, 0,
  r1=  1.80, r2=  2.30, r3=  5.08, r4=  5.58,
  rk2= 20, rk3= 20,
 &end 
##########################################################################
#
# distance restraint 4 
# atom 1:           ARG 1 H
# atom 2:           TRP 5 HD1

 &rst 
  iat= 2,  102, 
  r1=  4.13, r2=  4.63, r3=  5.83, r4=  6.23,
  rk2= 50, rk3= 50,
 &end 

# distance restraint 8 
# atom 1:           ARG 1 HA
# atom 2:           ARG 1 H

 &rst 
  iat= 4,  2, 
  r1=  1.70, r2=  2.20, r3=  3.40, r4=  3.90,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 12 
# atom 1:           ARG 1 HA
# atom 2:           ARG 2 H

 &rst 
  iat= 4,  26, 
  r1=  1.79, r2=  2.29, r3=  3.29, r4=  3.79,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 23 
# atom 1:           ARG 2 HA
# atom 2:           ARG 2 H

 &rst 
  iat= 28,  26, 
  r1=  1.73, r2=  2.23, r3=  3.53, r4=  4.03,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 27 
# atom 1:           ARG 2 HA
# atom 2:           TRP 3 HD1

 &rst 
  iat= 28,  58, 
  r1=  3.24, r2=  3.74, r3=  5.04, r4=  5.34,
  rk2= 50, rk3= 50,
 &end 

# distance restraint 42 
# atom 1:           TRP 3 H
# atom 2:           TRP 3 HD1

 &rst 
  iat= 50,  58, 
  r1=  2.29, r2=  2.79, r3=  4.87, r4=  5.37,
  rk2= 50, rk3= 50,
 &end 

# distance restraint 85 
# atom 1:           TRP 5 HA
# atom 2:           TRP 5 HD1

 &rst 
  iat= 96,  102, 
  r1=  1.87, r2=  2.37, r3=  4.17, r4=  4.67,
  rk2= 50, rk3= 50,
 &end 

# distance restraint 86 
# atom 1:           TRP 5 HA
# atom 2:           TRP 5 HE3

 &rst 
  iat= 96,  113, 
  r1=  2.03, r2=  2.53, r3=  4.83, r4=  5.33,
  rk2= 50, rk3= 50,
 &end 

# distance restraint 48 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 HE3

 &rst 
  iat= 52,  69, 
  r1=  2.31, r2=  2.81, r3=  4.51, r4=  5.01,
  rk2= 20, rk3= 20,
 &end 
# distance restraint 5 
# atom 1:           ARG 1 H
# atom 2:           ARG 6 H

 &rst 
  iat= 2,  118, 
  r1=  2.66, r2=  2.96, r3=  3.5, r4=  3.9,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 3 
# atom 1:           ARG 1 H
# atom 2:           ARG 2 H

 &rst 
  iat= 2,  26, 
  r1=  3.3, r2=  3.45, r3=  4.47, r4=  4.57,
  rk2= 200, rk3= 20,
 &end 


# distance restraint 87 
# atom 1:           TRP 5 HA
# atom 2:           ARG 6 H

 &rst 
  iat= 96,  118, 
  r1=  1.66, r2=  2.16, r3=  3.66, r4=  4.16,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 6 
# atom 1:           ARG 1 H
# atom 2:           ARG 6 HA

 &rst 
  iat= 2,  120, 
  r1=  2.39, r2=  2.59, r3=  4.04, r4=  4.54,
  rk2= 100, rk3= 20,
 &end
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Contact the webmaster for help, if required. Sunday, May 12, 2024 5:37:44 PM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	27038	2otq	cing	1-original	1	AMBER	distance	NOE	simple