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
12119 1skk 6169 cing 1-original 1 AMBER distance NOE simple



################################################################
#                                                              #
#    AMBER6 restraint file                                     #
#    CKW (2.5 mM) bound to DPC micelles (50 mM)                #          
#    300 K, pH 6.3                                             #                
#    80 ms NOESY                                               #               
#--------------------------------------------------------------#
#    Christian Appelt                                          #
#    FMP Berlin, Germany                                       #
#    16/02/2004                                                #
#                                                              #
################################################################


#######################  168 distance restraints  ###################

# atom 1:           LYS 1 HA
# atom 2:           LYS 1 H

 &rst 
  iat= 4,  2, 
  r1=  1.50, r2=  2.00, r3=  3.40, r4=  3.90,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HA
# atom 2:           LYS 2 H

 &rst 
  iat= 4,  24, 
  r1=  1.93, r2=  2.43, r3=  3.83, r4=  4.33,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 1 HA
# atom 2:           TRP 3 H

 &rst 
  iat= 4,  46, 
  r1=  4.38, r2=  4.88, r3=  6.28, r4=  6.78,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 1 HA
# atom 2:           PHE 6 H

 &rst 
  iat= 4,  116, 
  r1=  4.47, r2=  4.97, r3=  6.37, r4=  6.87,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 1 HB2
# atom 2:           LYS 1 HA

 &rst 
  iat= 6,  4, 
  r1=  1.79, r2=  2.29, r3=  3.69, r4=  4.19,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB2
# atom 2:           LYS 1 HB3

 &rst 
  iat= 6,  7, 
  r1=  0.77, r2=  1.27, r3=  2.67, r4=  3.17,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 1 HB2
# atom 2:           LYS 1 HE2

 &rst 
  iat= 6,  15, 
  r1=  3.58, r2=  4.08, r3=  5.48, r4=  5.98,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 1 HB2
# atom 2:           LYS 1 H

 &rst 
  iat= 6,  2, 
  r1=  1.78, r2=  2.28, r3=  3.68, r4=  4.18,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB2
# atom 2:           LYS 2 H

 &rst 
  iat= 6,  24, 
  r1=  1.66, r2=  2.16, r3=  3.56, r4=  4.06,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB2
# atom 2:           TRP 3 HZ3

 &rst 
  iat= 6,  63, 
  r1=  4.28, r2=  4.78, r3=  6.18, r4=  6.68,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB2
# atom 2:           PHE 6 HB3

 &rst 
  iat= 6,  121, 
  r1=  3.93, r2=  4.43, r3=  6.13, r4=  6.63,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           LYS 1 HA

 &rst 
  iat= 7,  4, 
  r1=  1.83, r2=  2.33, r3=  3.73, r4=  4.23,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           LYS 1 HE2

 &rst 
  iat= 7,  15, 
  r1=  3.63, r2=  4.13, r3=  5.53, r4=  6.03,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           LYS 1 H

 &rst 
  iat= 7,  2, 
  r1=  1.56, r2=  2.06, r3=  3.46, r4=  3.96,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           LYS 2 H

 &rst 
  iat= 7,  24, 
  r1=  1.79, r2=  2.29, r3=  3.69, r4=  4.19,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           TRP 3 H

 &rst 
  iat= 7,  46, 
  r1=  4.26, r2=  4.76, r3=  6.16, r4=  6.66,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           PHE 6 HB2

 &rst 
  iat= 7,  120, 
  r1=  4.26, r2=  4.76, r3=  6.16, r4=  6.66,
  rk2= 50, rk3= 50,
 &end 

# atom 1:           LYS 1 HB3
# atom 2:           PHE 6 HB3

 &rst 
  iat= 7,  121, 
  r1=  3.70, r2=  4.20, r3=  5.60, r4=  6.10,
  rk2= 50, rk3= 50,
 &end 

# pseudoatom 1:     LYS 1 HD2
# atom 2:           LYS 1 HA

 &rst 
  iat= -1,  4, 
  igr1= 12, 13, 0,
  r1=  1.40, r2=  1.90, r3=  5.08, r4=  5.58,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HD2
# atom 2:           LYS 1 HB3

 &rst 
  iat= -1,  7, 
  igr1= 12, 13, 0,
  r1=  0.84, r2=  1.34, r3=  4.52, r4=  5.02,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HD2
# atom 2:           LYS 1 H

 &rst 
  iat= -1,  2, 
  igr1= 12, 13, 0,
  r1=  1.98, r2=  2.48, r3=  5.66, r4=  6.16,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HD2
# atom 2:           LYS 2 H

 &rst 
  iat= -1,  24, 
  igr1= 12, 13, 0,
  r1=  2.42, r2=  2.92, r3=  6.10, r4=  6.60,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# atom 2:           LYS 1 HA

 &rst 
  iat= -1,  4, 
  igr1= 9, 10, 0,
  r1=  1.28, r2=  1.78, r3=  5.18, r4=  5.68,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# atom 2:           LYS 1 HB2

 &rst 
  iat= -1,  6, 
  igr1= 9, 10, 0,
  r1=  0.94, r2=  1.44, r3=  4.62, r4=  5.12,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# pseudoatom 2:     LYS 1 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 9, 10, 0,
  igr2= 12, 13, 0,
  r1=  0.00, r2=  0.15, r3=  5.15, r4=  5.65,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# atom 2:           LYS 1 HE2

 &rst 
  iat= -1,  15, 
  igr1= 9, 10, 0,
  r1=  1.22, r2=  1.72, r3=  5.22, r4=  5.72,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# atom 2:           LYS 1 H

 &rst 
  iat= -1,  2, 
  igr1= 9, 10, 0,
  r1=  1.35, r2=  1.85, r3=  5.15, r4=  5.65,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# atom 2:           LYS 2 H

 &rst 
  iat= -1,  24, 
  igr1= 9, 10, 0,
  r1=  2.06, r2=  2.56, r3=  5.93, r4=  6.43,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 1 HG2
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 9, 10, 0,
  igr2= 124, 132, 0,
  r1=  0.76, r2=  1.26, r3=  8.76, r4=  9.26,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HA
# atom 2:           LYS 2 H

 &rst 
  iat= 26,  24, 
  r1=  1.66, r2=  2.16, r3=  3.56, r4=  4.06,
  rk2= 50, rk3= 50,
 &end 



# atom 1:           LYS 2 HA
# atom 2:           TRP 3 H

 &rst 
  iat= 26,  46, 
  r1=  1.93, r2=  2.43, r3=  3.83, r4=  4.33,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB2
# atom 2:           LYS 2 HA

 &rst 
  iat= 28,  26, 
  r1=  2.29, r2=  2.79, r3=  4.19, r4=  4.69,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB2
# atom 2:           LYS 2 HE2

 &rst 
  iat= 28,  37, 
  r1=  3.41, r2=  3.91, r3=  5.31, r4=  5.81,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB2
# atom 2:           LYS 2 H

 &rst 
  iat= 28,  24, 
  r1=  2.00, r2=  2.50, r3=  3.90, r4=  4.40,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB2
# pseudoatom 2:     TRP 3 HB2

 &rst 
  iat= 28,  -1, 
  igr2= 50, 51, 0,
  r1=  3.16, r2=  3.66, r3=  6.88, r4=  7.38,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB3
# atom 2:           LYS 2 HB2

 &rst 
  iat= 29,  28, 
  r1=  0.74, r2=  1.24, r3=  2.64, r4=  3.14,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB3
# atom 2:           LYS 2 H

 &rst 
  iat= 29,  24, 
  r1=  1.59, r2=  2.09, r3=  3.79, r4=  4.29,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 HB3
# pseudoatom 2:     TRP 3 HB2

 &rst 
  iat= 29,  -1, 
  igr2= 50, 51, 0,
  r1=  2.85, r2=  3.35, r3=  6.55, r4=  7.05,
  rk2= 50, rk3= 50,
 &end 




# pseudoatom 1:     LYS 2 HG2
# atom 2:           LYS 2 HA

 &rst 
  iat= -1,  26, 
  igr1= 31, 32, 0,
  r1=  1.69, r2=  2.19, r3=  5.75, r4=  6.25,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 2 HG2
# pseudoatom 2:     LYS 2 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 31, 32, 0,
  igr2= 34, 35, 0,
  r1=  0.00, r2=  0.12, r3=  5.24, r4=  5.74,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 2 HG2
# atom 2:           LYS 2 HE2

 &rst 
  iat= -1,  37, 
  igr1= 31, 32, 0,
  r1=  1.44, r2=  1.94, r3=  5.22, r4=  5.72,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 2 HG2
# atom 2:           LYS 2 H

 &rst 
  iat= -1,  24, 
  igr1= 31, 32, 0,
  r1=  1.19, r2=  1.69, r3=  5.00, r4=  5.50,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 2 HG2
# atom 2:           TRP 3 H

 &rst 
  iat= -1,  46, 
  igr1= 31, 32, 0,
  r1=  2.81, r2=  3.31, r3=  7.30, r4=  7.80,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 2 HG2
# atom 2:           LYS 1 HB3

 &rst 
  iat= -1,  7, 
  igr1= 31, 32, 0,
  r1=  1.86, r2=  2.36, r3=  5.54, r4=  6.04,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     LYS 2 HG2
# atom 2:           LYS 2 HB2

 &rst 
  iat= -1,  28, 
  igr1= 31, 32, 0,
  r1=  1.09, r2=  1.59, r3=  4.77, r4=  5.27,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           LYS 2 H
# atom 2:           LYS 1 H

 &rst 
  iat= 24,  2, 
  r1=  2.16, r2=  2.66, r3=  4.06, r4=  4.56,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HA
# atom 2:           LYS 2 H

 &rst 
  iat= 48,  24, 
  r1=  2.99, r2=  3.49, r3=  4.89, r4=  5.39,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HA
# pseudoatom 2:     TRP 3 HB2

 &rst 
  iat= 48,  -1, 
  igr2= 50, 51, 0,
  r1=  0.61, r2=  1.11, r3=  4.32, r4=  4.82,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HA
# atom 2:           TRP 3 H

 &rst 
  iat= 48,  46, 
  r1=  1.76, r2=  2.26, r3=  3.66, r4=  4.16,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HA
# atom 2:           TRP 4 H

 &rst 
  iat= 48,  70, 
  r1=  1.33, r2=  1.83, r3=  3.23, r4=  3.73,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     TRP 3 HB2
# atom 2:           LYS 2 H

 &rst 
  iat= -1,  24, 
  igr1= 50, 51, 0,
  r1=  0.00, r2=  0.00, r3=  7.96, r4=  8.46,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  54, 
  igr1= 50, 51, 0,
  r1=  1.02, r2=  1.52, r3=  4.79, r4=  5.29,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  65, 
  igr1= 50, 51, 0,
  r1=  0.61, r2=  1.11, r3=  4.49, r4=  4.99,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 3 H

 &rst 
  iat= -1,  46, 
  igr1= 50, 51, 0,
  r1=  0.99, r2=  1.49, r3=  4.69, r4=  5.19,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 3 HZ3

 &rst 
  iat= -1,  63, 
  igr1= 50, 51, 0,
  r1=  2.97, r2=  3.47, r3=  6.65, r4=  7.15,
  rk2= 50, rk3= 50,
 &end 


# pseudoatom 1:     TRP 3 HB2
# atom 2:           TRP 4 H

 &rst 
  iat= -1,  70, 
  igr1= 50, 51, 0,
  r1=  1.46, r2=  1.96, r3=  5.20, r4=  5.70,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HD1
# atom 2:           LYS 2 H

 &rst 
  iat= 54,  24, 
  r1=  2.74, r2=  3.24, r3=  4.64, r4=  5.14,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HD1
# atom 2:           TRP 3 HE1

 &rst 
  iat= 54,  56, 
  r1=  1.51, r2=  2.01, r3=  3.41, r4=  3.91,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HE3
# atom 2:           LYS 2 H

 &rst 
  iat= 65,  24, 
  r1=  4.58, r2=  5.08, r3=  6.48, r4=  6.98,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HE3
# atom 2:           PHE 6 H

 &rst 
  iat= 65,  116, 
  r1=  4.61, r2=  5.11, r3=  6.51, r4=  7.01,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HH2
# atom 2:           TRP 3 HZ2

 &rst 
  iat= 61,  59, 
  r1=  1.57, r2=  2.07, r3=  3.47, r4=  3.97,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 H
# atom 2:           LYS 1 H

 &rst 
  iat= 46,  2, 
  r1=  3.68, r2=  4.18, r3=  5.58, r4=  6.08,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 H
# atom 2:           LYS 2 H

 &rst 
  iat= 46,  24, 
  r1=  1.61, r2=  2.11, r3=  3.51, r4=  4.01,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 H
# atom 2:           TRP 4 H

 &rst 
  iat= 46,  70, 
  r1=  3.04, r2=  3.54, r3=  4.94, r4=  5.44,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 H
# atom 2:           PHE 6 H

 &rst 
  iat= 46,  116, 
  r1=  2.52, r2=  3.02, r3=  4.42, r4=  4.92,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HZ2
# atom 2:           TRP 3 HE1

 &rst 
  iat= 59,  56, 
  r1=  1.57, r2=  2.07, r3=  3.47, r4=  3.97,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 3 HZ3
# atom 2:           TRP 3 HE3

 &rst 
  iat= 63,  65, 
  r1=  1.48, r2=  1.98, r3=  3.38, r4=  3.88,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HA
# atom 2:           TRP 4 H

 &rst 
  iat= 72,  70, 
  r1=  1.35, r2=  1.85, r3=  3.25, r4=  3.75,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HA
# atom 2:           LYS 5 H

 &rst 
  iat= 72,  94, 
  r1=  2.25, r2=  2.75, r3=  4.15, r4=  4.65,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HA
# atom 2:           PHE 6 H

 &rst 
  iat= 72,  116, 
  r1=  3.73, r2=  4.23, r3=  5.63, r4=  6.13,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= 74,  65, 
  r1=  2.21, r2=  2.71, r3=  4.11, r4=  4.61,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           TRP 4 HA

 &rst 
  iat= 74,  72, 
  r1=  1.98, r2=  2.48, r3=  3.88, r4=  4.38,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           TRP 4 HB3

 &rst 
  iat= 74,  75, 
  r1=  0.88, r2=  1.38, r3=  2.78, r4=  3.28,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           TRP 4 HE3

 &rst 
  iat= 74,  89, 
  r1=  1.89, r2=  2.39, r3=  3.79, r4=  4.29,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           TRP 4 H

 &rst 
  iat= 74,  70, 
  r1=  1.92, r2=  2.42, r3=  3.82, r4=  4.32,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           LYS 5 H

 &rst 
  iat= 74,  94, 
  r1=  2.10, r2=  2.60, r3=  4.00, r4=  4.50,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB2
# atom 2:           PHE 6 H

 &rst 
  iat= 74,  116, 
  r1=  2.83, r2=  3.33, r3=  4.73, r4=  5.23,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           TRP 3 HE3

 &rst 
  iat= 75,  65, 
  r1=  2.17, r2=  2.67, r3=  4.07, r4=  4.57,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           TRP 3 H

 &rst 
  iat= 75,  46, 
  r1=  2.91, r2=  3.41, r3=  4.81, r4=  5.31,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           TRP 4 HA

 &rst 
  iat= 75,  72, 
  r1=  2.15, r2=  2.65, r3=  4.05, r4=  4.55,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           TRP 4 HE3

 &rst 
  iat= 75,  89, 
  r1=  1.36, r2=  1.86, r3=  3.26, r4=  3.76,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           TRP 4 H

 &rst 
  iat= 75,  70, 
  r1=  2.20, r2=  2.70, r3=  4.10, r4=  4.60,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           LYS 5 H

 &rst 
  iat= 75,  94, 
  r1=  1.61, r2=  2.11, r3=  3.51, r4=  4.01,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HB3
# atom 2:           PHE 6 H

 &rst 
  iat= 75,  116, 
  r1=  2.27, r2=  2.77, r3=  4.17, r4=  4.67,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HD1
# atom 2:           TRP 4 HE1

 &rst 
  iat= 78,  80, 
  r1=  1.36, r2=  1.86, r3=  3.35, r4=  3.85,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HE1
# atom 2:           TRP 4 HZ2

 &rst 
  iat= 80,  83, 
  r1=  1.63, r2=  2.13, r3=  3.69, r4=  4.19,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HH2
# atom 2:           TRP 4 HZ2

 &rst 
  iat= 85,  83, 
  r1=  1.46, r2=  1.96, r3=  3.36, r4=  3.86,
  rk2= 50, rk3= 50,
 &end 


# atom 1:           TRP 4 HZ3
# atom 2:           TRP 4 HE3

 &rst 
  iat= 87,  89, 
  r1=  1.40, r2=  1.90, r3=  3.30, r4=  3.80,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HA
# atom 2:           TRP 4 HE3

 &rst 
  iat= 96,  89, 
  r1=  4.12, r2=  4.62, r3=  6.02, r4=  6.52,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HA
# atom 2:           LYS 5 H

 &rst 
  iat= 96,  94, 
  r1=  1.81, r2=  2.31, r3=  3.71, r4=  4.21,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HA
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= 96,  -1, 
  igr2= 124, 132, 0,
  r1=  2.21, r2=  2.71, r3=  8.43, r4=  8.93,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HA
# atom 2:           PHE 6 H

 &rst 
  iat= 96,  116, 
  r1=  1.88, r2=  2.38, r3=  3.78, r4=  4.28,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           TRP 4 HB3

 &rst 
  iat= 98,  75, 
  r1=  4.29, r2=  4.79, r3=  6.19, r4=  6.69,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           TRP 4 HE3

 &rst 
  iat= 98,  89, 
  r1=  3.00, r2=  3.50, r3=  4.90, r4=  5.40,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           TRP 4 HH2

 &rst 
  iat= 98,  85, 
  r1=  4.81, r2=  5.31, r3=  6.71, r4=  7.21,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           TRP 4 HZ3

 &rst 
  iat= 98,  87, 
  r1=  3.27, r2=  3.77, r3=  5.17, r4=  5.67,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           LYS 5 HA

 &rst 
  iat= 98,  96, 
  r1=  1.80, r2=  2.30, r3=  3.70, r4=  4.20,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           LYS 5 HB3

 &rst 
  iat= 98,  99, 
  r1=  0.78, r2=  1.28, r3=  2.68, r4=  3.18,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# pseudoatom 2:     LYS 5 HD2

 &rst 
  iat= 98,  -1, 
  igr2= 104, 105, 0,
  r1=  1.26, r2=  1.76, r3=  5.11, r4=  5.61,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           LYS 5 H

 &rst 
  iat= 98,  94, 
  r1=  1.75, r2=  2.25, r3=  3.65, r4=  4.15,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= 98,  -1, 
  igr2= 124, 132, 0,
  r1=  1.03, r2=  1.53, r3=  7.25, r4=  7.75,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB2
# atom 2:           PHE 6 H

 &rst 
  iat= 98,  116, 
  r1=  2.26, r2=  2.76, r3=  4.16, r4=  4.66,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB3
# atom 2:           TRP 4 HZ3

 &rst 
  iat= 99,  87, 
  r1=  4.12, r2=  4.62, r3=  6.02, r4=  6.52,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB3
# atom 2:           LYS 5 HA

 &rst 
  iat= 99,  96, 
  r1=  1.56, r2=  2.06, r3=  3.46, r4=  3.96,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB3
# atom 2:           LYS 5 HE2

 &rst 
  iat= 99,  107, 
  r1=  4.21, r2=  4.71, r3=  6.51, r4=  7.01,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB3
# atom 2:           LYS 5 H

 &rst 
  iat= 99,  94, 
  r1=  2.16, r2=  2.66, r3=  4.06, r4=  4.56,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB3
# atom 2:           PHE 6 HB2

 &rst 
  iat= 99,  120, 
  r1=  4.65, r2=  5.15, r3=  6.55, r4=  7.05,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HB3
# atom 2:           PHE 6 H

 &rst 
  iat= 99,  116, 
  r1=  2.32, r2=  2.82, r3=  4.22, r4=  4.72,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           TRP 4 HE1

 &rst 
  iat= -1,  80, 
  igr1= 104, 105, 0,
  r1=  2.59, r2=  3.09, r3=  6.40, r4=  6.90,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           TRP 4 HH2

 &rst 
  iat= -1,  85, 
  igr1= 104, 105, 0,
  r1=  2.18, r2=  2.68, r3=  7.53, r4=  8.03,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           TRP 4 HZ2

 &rst 
  iat= -1,  83, 
  igr1= 104, 105, 0,
  r1=  1.89, r2=  2.39, r3=  6.19, r4=  6.69,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           LYS 5 HA

 &rst 
  iat= -1,  96, 
  igr1= 104, 105, 0,
  r1=  1.31, r2=  1.81, r3=  5.32, r4=  5.82,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           LYS 5 HB3

 &rst 
  iat= -1,  99, 
  igr1= 104, 105, 0,
  r1=  1.05, r2=  1.55, r3=  4.86, r4=  5.36,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           LYS 5 HE2

 &rst 
  iat= -1,  107, 
  igr1= 104, 105, 0,
  r1=  0.87, r2=  1.37, r3=  4.74, r4=  5.24,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           LYS 5 HE3

 &rst 
  iat= -1,  108, 
  igr1= 104, 105, 0,
  r1=  1.05, r2=  1.55, r3=  4.74, r4=  5.24,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           LYS 5 H

 &rst 
  iat= -1,  94, 
  igr1= 104, 105, 0,
  r1=  3.21, r2=  3.71, r3=  8.33, r4=  8.83,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HD2
# atom 2:           TRP 4 HZ3

 &rst 
  iat= -1,  87, 
  igr1= 104, 105, 0,
  r1=  0.00, r2=  0.00, r3=  6.76, r4=  7.26,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE2
# atom 2:           TRP 4 HE1

 &rst 
  iat= 107,  80, 
  r1=  3.17, r2=  3.67, r3=  5.07, r4=  5.57,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE2
# atom 2:           TRP 4 HH2

 &rst 
  iat= 107,  85, 
  r1=  3.66, r2=  4.16, r3=  5.56, r4=  6.06,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE2
# atom 2:           TRP 4 HZ2

 &rst 
  iat= 107,  83, 
  r1=  2.53, r2=  3.03, r3=  4.43, r4=  4.93,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE3
# atom 2:           TRP 4 HE1

 &rst 
  iat= 108,  80, 
  r1=  2.42, r2=  2.92, r3=  4.32, r4=  4.82,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE3
# atom 2:           TRP 4 HH2

 &rst 
  iat= 108,  85, 
  r1=  2.91, r2=  3.41, r3=  4.81, r4=  5.31,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE3
# atom 2:           TRP 4 HZ2

 &rst 
  iat= 108,  83, 
  r1=  2.11, r2=  2.61, r3=  4.01, r4=  4.51,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 HE3
# atom 2:           LYS 5 HE2

 &rst 
  iat= 108,  107, 
  r1=  0.92, r2=  1.42, r3=  2.82, r4=  3.32,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           TRP 4 HE1

 &rst 
  iat= -1,  80, 
  igr1= 101, 102, 0,
  r1=  1.88, r2=  2.38, r3=  6.05, r4=  6.55,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           TRP 4 HE3

 &rst 
  iat= -1,  89, 
  igr1= 101, 102, 0,
  r1=  2.59, r2=  3.09, r3=  6.40, r4=  6.90,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           TRP 4 HH2

 &rst 
  iat= -1,  85, 
  igr1= 101, 102, 0,
  r1=  3.04, r2=  3.54, r3=  7.31, r4=  7.81,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           TRP 4 HZ2

 &rst 
  iat= -1,  83, 
  igr1= 101, 102, 0,
  r1=  2.09, r2=  2.59, r3=  6.05, r4=  6.55,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           TRP 4 HZ3

 &rst 
  iat= -1,  87, 
  igr1= 101, 102, 0,
  r1=  3.96, r2=  4.46, r3=  7.97, r4=  8.47,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           LYS 5 HA

 &rst 
  iat= -1,  96, 
  igr1= 101, 102, 0,
  r1=  0.98, r2=  1.48, r3=  4.98, r4=  5.48,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           LYS 5 HB2

 &rst 
  iat= -1,  98, 
  igr1= 101, 102, 0,
  r1=  0.62, r2=  1.12, r3=  4.48, r4=  4.98,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           LYS 5 HB3

 &rst 
  iat= -1,  99, 
  igr1= 101, 102, 0,
  r1=  0.72, r2=  1.22, r3=  4.50, r4=  5.00,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# pseudoatom 2:     LYS 5 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 101, 102, 0,
  igr2= 104, 105, 0,
  r1=  0.09, r2=  0.59, r3=  5.90, r4=  6.40,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           LYS 5 HE2

 &rst 
  iat= -1,  107, 
  igr1= 101, 102, 0,
  r1=  1.34, r2=  1.84, r3=  5.35, r4=  5.85,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           LYS 5 HE3

 &rst 
  iat= -1,  108, 
  igr1= 101, 102, 0,
  r1=  1.38, r2=  1.88, r3=  5.11, r4=  5.61,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           LYS 5 H

 &rst 
  iat= -1,  94, 
  igr1= 101, 102, 0,
  r1=  1.22, r2=  1.72, r3=  4.91, r4=  5.41,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 101, 102, 0,
  igr2= 124, 132, 0,
  r1=  1.28, r2=  1.78, r3=  9.45, r4=  9.95,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     LYS 5 HG2
# atom 2:           PHE 6 H

 &rst 
  iat= -1,  116, 
  igr1= 101, 102, 0,
  r1=  0.00, r2=  0.00, r3=  5.87, r4=  6.37,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 H
# atom 2:           TRP 4 HE3

 &rst 
  iat= 94,  89, 
  r1=  1.67, r2=  2.17, r3=  3.57, r4=  4.07,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 H
# atom 2:           TRP 4 H

 &rst 
  iat= 94,  70, 
  r1=  3.81, r2=  4.31, r3=  5.71, r4=  6.21,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 H
# atom 2:           TRP 4 HZ3

 &rst 
  iat= 94,  87, 
  r1=  3.66, r2=  4.16, r3=  5.56, r4=  6.06,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           LYS 5 H
# atom 2:           PHE 6 H

 &rst 
  iat= 94,  116, 
  r1=  1.68, r2=  2.18, r3=  3.58, r4=  4.08,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HA
# atom 2:           LYS 1 H

 &rst 
  iat= 118,  2, 
  r1=  1.51, r2=  2.01, r3=  3.41, r4=  3.91,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HA
# atom 2:           PHE 6 HB2

 &rst 
  iat= 118,  120, 
  r1=  1.67, r2=  2.17, r3=  3.57, r4=  4.07,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HA
# atom 2:           PHE 6 HB3

 &rst 
  iat= 118,  121, 
  r1=  1.62, r2=  2.12, r3=  3.52, r4=  4.02,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HA
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= 118,  -1, 
  igr2= 124, 132, 0,
  r1=  0.00, r2=  0.00, r3=  5.61, r4=  6.11,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HA
# atom 2:           PHE 6 H

 &rst 
  iat= 118,  116, 
  r1=  1.76, r2=  2.26, r3=  3.66, r4=  4.16,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# atom 2:           LYS 1 H

 &rst 
  iat= 120,  2, 
  r1=  1.86, r2=  2.36, r3=  3.76, r4=  4.26,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# atom 2:           LYS 2 H

 &rst 
  iat= 120,  24, 
  r1=  2.47, r2=  2.97, r3=  4.37, r4=  4.87,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= 120,  65, 
  r1=  2.49, r2=  2.99, r3=  4.39, r4=  4.89,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# atom 2:           TRP 3 H

 &rst 
  iat= 120,  46, 
  r1=  1.85, r2=  2.35, r3=  3.75, r4=  4.25,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# atom 2:           PHE 6 HB3

 &rst 
  iat= 120,  121, 
  r1=  1.02, r2=  1.52, r3=  2.92, r4=  3.42,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= 120,  -1, 
  igr2= 124, 132, 0,
  r1=  0.00, r2=  0.00, r3=  5.45, r4=  5.95,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# pseudoatom 2:     PHE 6 HE1

 &rst 
  iat= 120,  -1, 
  igr2= 126, 130, 0,
  r1=  0.00, r2=  0.00, r3=  8.24, r4=  8.74,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB2
# atom 2:           PHE 6 H

 &rst 
  iat= 120,  116, 
  r1=  1.53, r2=  2.03, r3=  3.43, r4=  3.93,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# atom 2:           LYS 1 HA

 &rst 
  iat= 121,  4, 
  r1=  4.04, r2=  4.54, r3=  5.94, r4=  6.44,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# atom 2:           LYS 1 H

 &rst 
  iat= 121,  2, 
  r1=  1.43, r2=  1.93, r3=  3.33, r4=  3.83,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# atom 2:           LYS 2 H

 &rst 
  iat= 121,  24, 
  r1=  2.52, r2=  3.02, r3=  4.42, r4=  4.92,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# atom 2:           TRP 3 HE3

 &rst 
  iat= 121,  65, 
  r1=  3.18, r2=  3.68, r3=  5.08, r4=  5.58,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# atom 2:           TRP 3 H

 &rst 
  iat= 121,  46, 
  r1=  2.34, r2=  2.84, r3=  4.24, r4=  4.74,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# pseudoatom 2:     PHE 6 HD1

 &rst 
  iat= 121,  -1, 
  igr2= 124, 132, 0,
  r1=  0.00, r2=  0.00, r3=  5.61, r4=  6.11,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 HB3
# atom 2:           PHE 6 H

 &rst 
  iat= 121,  116, 
  r1=  1.94, r2=  2.44, r3=  3.84, r4=  4.34,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     PHE 6 HD1
# atom 2:           LYS 1 H

 &rst 
  iat= -1,  2, 
  igr1= 124, 132, 0,
  r1=  0.72, r2=  1.22, r3=  6.94, r4=  7.44,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     PHE 6 HD1
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  65, 
  igr1= 124, 132, 0,
  r1=  0.00, r2=  0.18, r3=  5.90, r4=  6.40,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     PHE 6 HD1
# atom 2:           PHE 6 H

 &rst 
  iat= -1,  116, 
  igr1= 124, 132, 0,
  r1=  0.00, r2=  0.19, r3=  5.91, r4=  6.41,
  rk2= 50, rk3= 50,
 &end 

 
# pseudoatom 1:     PHE 6 HE1
# atom 2:           PHE 6 H

 &rst 
  iat= -1,  116, 
  igr1= 126, 130, 0,
  r1=  2.93, r2=  3.43, r3=  9.15, r4=  9.65,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 H
# atom 2:           LYS 1 H

 &rst 
  iat= 116,  2, 
  r1=  2.66, r2=  3.16, r3=  4.56, r4=  5.06,
  rk2= 50, rk3= 50,
 &end 

 
# atom 1:           PHE 6 H
# atom 2:           LYS 2 H

 &rst 
  iat= 116,  24, 
  r1=  3.26, r2=  3.76, r3=  5.16, r4=  5.66,
  rk2= 50, rk3= 50,
 &end 
#


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