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
	598682	2mxn	19736	cing	1-original	1	AMBER	distance	NOE	simple

#
#  2 THR HB  3 SER HA 5.13 
 &rst iat=  19, 31, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 ILE 3HG1 2HG1    5 ILE H 5.00 
 &rst iat= 47, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 0,  igr2= 58, 57,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 ILE H  6 GLY H 4.98 
 &rst iat=  47, 66, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  5 ILE 1HG2 3HG2 2HG2    5 ILE 3HG1 2HG1  3.14  
 &rst iat= -1, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 53, 55, 54,   igr2= 58, 57,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  8 ASP HA  9 VAL CB 4.76 
 &rst iat=  82, 95, r1= 4.26, r2= 4.76,
 r3= 9.16, r4= 9.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 ASP HB3  9 VAL H 5.50 
 &rst iat=  85, 92, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 VAL HA  9 VAL CB 3.98 
 &rst iat=  94, 95, r1= 3.48, r2= 3.98,
 r3= 8.38, r4= 8.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 VAL CB  10 ARG HA 5.32 
 &rst iat=  95, 110, r1= 4.82, r2= 5.32,
 r3= 9.72, r4= 10.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 ARG 3HD 2HD    9 VAL CB 3.49 
 &rst iat= 95, -1, r1= 3.42, r2= 3.92, r3= 8.32, r4= 8.82,
 igr1= 0,  igr2= 119, 118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ARG 3HG 2HG    9 VAL CB 4.97 
 &rst iat= 95, -1, r1= 5.08, r2= 5.58, r3= 9.98, r4= 10.48,
 igr1= 0,  igr2= 116, 115,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ARG 3HG 2HG    10 ARG HA 4.05 
 &rst iat= 110, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 116, 115,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ARG 3HB 2HB    10 ARG 3HD 2HD  3.70  
 &rst iat= -1, -1, r1= 3.65, r2= 4.15, r3= 8.55, r4= 9.05,
 igr1= 113, 112,   igr2= 119, 118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ARG 3HB 2HB    10 ARG 3HG 2HG  2.84  
 &rst iat= -1, -1, r1= 2.69, r2= 3.19, r3= 7.59, r4= 8.09,
 igr1= 113, 112,   igr2= 116, 115,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 ARG 3HG 2HG    10 ARG 3HD 2HD  2.85  
 &rst iat= -1, -1, r1= 2.70, r2= 3.20, r3= 7.60, r4= 8.10,
 igr1= 116, 115,   igr2= 119, 118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 ASP H  11 ASP HB2 4.11 
 &rst iat=  132, 136, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 ASP H  12 ILE H 5.50 
 &rst iat=  132, 144, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 ASP HA  12 ILE H 3.02 
 &rst iat=  134, 144, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 ASP HA  12 ILE HA 4.82 
 &rst iat=  134, 146, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 ILE H  13 GLU H 5.16 
 &rst iat=  144, 163, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 ILE 2HD1 1HD1 3HD1    12 ILE HA 4.17 
 &rst iat= 146, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 158, 157, 159,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 ILE HA  13 GLU H 2.91 
 &rst iat=  146, 163, r1= 2.41, r2= 2.91,
 r3= 2.91, r4= 3.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 ILE 2HD1 1HD1 3HD1    12 ILE HB 3.93 
 &rst iat= 148, -1, r1= 4.22, r2= 4.72, r3= 4.72, r4= 5.22,
 igr1= 0,  igr2= 158, 157, 159,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 ILE 3HG2 2HG2 1HG2    12 ILE 2HD1 1HD1 3HD1  3.75  
 &rst iat= -1, -1, r1= 4.91, r2= 5.41, r3= 5.41, r4= 5.91,
 igr1= 152, 151, 150,   igr2= 158, 157, 159,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 GLU 2HB 3HB    13 GLU HA 4.29 
 &rst iat= 165, -1, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 0,  igr2= 182, 183,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 GLU 2HB 3HB    31 ASP HA 3.70 
 &rst iat= -1, 439, r1= 3.65, r2= 4.15, r3= 4.15, r4= 4.65,
 igr1= 182, 183,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 GLU 2HG 3HG    31 ASP HA 3.59 
 &rst iat= -1, 439, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 185, 186,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 THR 1HG2 3HG2 2HG2    15 THR HA 3.81 
 &rst iat= 195, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 199, 201, 200,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 THR HB  16 HID HA 4.93 
 &rst iat=  197, 209, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 HID 2HB 3HB    16 HID HA 2.89 
 &rst iat= 209, -1, r1= 2.74, r2= 3.24, r3= 3.24, r4= 3.74,
 igr1= 0,  igr2= 211, 212,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 PRO 3HG 2HG    16 HID HA 5.50 
 &rst iat= 209, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 229, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 HID 2HB 3HB    17 PRO 3HG 2HG  4.26  
 &rst iat= -1, -1, r1= 4.28, r2= 4.78, r3= 9.18, r4= 9.68,
 igr1= 211, 212,   igr2= 229, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 HID 2HB 3HB    31 ASP HB2 3.83 
 &rst iat= -1, 441, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 211, 212,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 HID 2HB 3HB    31 ASP HB3 4.78 
 &rst iat= -1, 442, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 211, 212,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 ASP HB3  19 PHE HA 4.71 
 &rst iat=  243, 252, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 PHE 3HB 2HB    19 PHE H 3.86 
 &rst iat= 250, -1, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 0,  igr2= 255, 254,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 PHE H  20 GLN H 4.89 
 &rst iat=  250, 270, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 PRO 2HD 3HD    20 GLN HA 3.35 
 &rst iat= 272, -1, r1= 3.26, r2= 3.76, r3= 3.76, r4= 4.26,
 igr1= 0,  igr2= 288, 289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 PRO 2HD 3HD    20 GLN HB2 4.78 
 &rst iat= 274, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 0,  igr2= 288, 289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 GLN HB3  21 PRO HA 5.50 
 &rst iat=  275, 297, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 PRO 2HD 3HD    20 GLN HB3 4.84 
 &rst iat= 275, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 288, 289,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 PRO 2HG 3HG    20 GLN HB3 3.97 
 &rst iat= 275, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 291, 292,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 ARG H  22 ARG HG2 5.50 
 &rst iat=  301, 308, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  22 ARG H  22 ARG HG3 5.34 
 &rst iat=  301, 309, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 ALA 2HB 1HB 3HB    26 ALA H 4.07 
 &rst iat= 371, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 376, 375, 377,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 ALA HA  27 ASP HA 5.24 
 &rst iat=  373, 383, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP H  27 ASP HB2 4.13 
 &rst iat=  381, 385, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HB3  28 LEU H 4.31 
 &rst iat=  386, 393, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HB3  28 LEU HA 4.57 
 &rst iat=  386, 395, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU H  28 LEU HB2 3.57 
 &rst iat=  393, 397, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU H  28 LEU HB3 3.84 
 &rst iat=  393, 398, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU H  28 LEU CG 4.73 
 &rst iat=  393, 399, r1= 4.23, r2= 4.73,
 r3= 9.13, r4= 9.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU H  29 ALA HA 5.50 
 &rst iat=  393, 414, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HA  28 LEU HG 4.05 
 &rst iat=  395, 400, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HA  28 LEU CG 3.92 
 &rst iat=  395, 399, r1= 3.42, r2= 3.92,
 r3= 8.32, r4= 8.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HA  29 ALA H 2.45 
 &rst iat=  395, 412, r1= 1.95, r2= 2.45,
 r3= 2.45, r4= 2.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HB2  28 LEU CG 3.33 
 &rst iat=  397, 399, r1= 2.83, r2= 3.33,
 r3= 7.73, r4= 8.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HB2  29 ALA H 5.00 
 &rst iat=  397, 412, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HB3  28 LEU CG 3.27 
 &rst iat=  398, 399, r1= 2.77, r2= 3.27,
 r3= 7.67, r4= 8.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HB3  29 ALA H 4.05 
 &rst iat=  398, 412, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU HG  29 ALA H 5.50 
 &rst iat=  400, 412, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU CG  96 GLU HA 5.50 
 &rst iat=  399, 1470, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 GLU 2HG 3HG    28 LEU CG 4.92 
 &rst iat= 399, -1, r1= 5.02, r2= 5.52, r3= 9.92, r4= 10.42,
 igr1= 0,  igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 LEU CG  29 ALA H 4.52 
 &rst iat=  399, 412, r1= 4.02, r2= 4.52,
 r3= 8.92, r4= 9.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 LEU CG  29 ALA HA 5.04 
 &rst iat=  399, 414, r1= 4.54, r2= 5.04,
 r3= 9.44, r4= 9.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    28 LEU CG 4.84 
 &rst iat= 399, -1, r1= 5.31, r2= 5.81, r3= 10.21, r4= 10.71,
 igr1= 0,  igr2= 417, 416, 418,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU 2HB 3HB    28 LEU CG 5.40 
 &rst iat= 399, -1, r1= 5.56, r2= 6.06, r3= 10.46, r4= 10.96,
 igr1= 0,  igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 LEU CG  33 ILE H 4.59 
 &rst iat=  399, 464, r1= 4.09, r2= 4.59,
 r3= 8.99, r4= 9.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    29 ALA H 2.75 
 &rst iat= 412, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 417, 416, 418,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA HA  30 GLU H 2.76 
 &rst iat=  414, 422, r1= 2.26, r2= 2.76,
 r3= 2.76, r4= 3.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 ALA HA  30 GLU HA 4.71 
 &rst iat=  414, 424, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    29 ALA HA 4.53 
 &rst iat= 414, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 0,  igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    30 GLU H 3.37 
 &rst iat= -1, 422, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 417, 416, 418,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    30 GLU 2HB 3HB  5.40  
 &rst iat= -1, -1, r1= 6.78, r2= 7.28, r3= 7.28, r4= 7.78,
 igr1= 417, 416, 418,   igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    30 GLU 2HG 3HG  5.15  
 &rst iat= -1, -1, r1= 5.68, r2= 6.18, r3= 10.58, r4= 11.08,
 igr1= 417, 416, 418,   igr2= 429, 430,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    31 ASP HB2 4.90 
 &rst iat= -1, 441, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 417, 416, 418,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 ALA 2HB 1HB 3HB    32 GLU H 4.15 
 &rst iat= -1, 449, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 417, 416, 418,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU 2HB 3HB    30 GLU H 2.86 
 &rst iat= 422, -1, r1= 2.71, r2= 3.21, r3= 3.21, r4= 3.71,
 igr1= 0,  igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU 2HG 3HG    30 GLU H 4.34 
 &rst iat= 422, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 0,  igr2= 429, 430,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU H  31 ASP H 5.14 
 &rst iat=  422, 437, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HG 3HG    30 GLU HA 3.96 
 &rst iat= 424, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 429, 430,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU HA  32 GLU H 4.86 
 &rst iat=  424, 449, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 GLU 2HB 3HB    31 ASP HB2 5.29 
 &rst iat= -1, 441, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 426, 427,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 GLU 2HG 3HG    31 ASP HA 3.95 
 &rst iat= -1, 439, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 429, 430,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 ASP H  31 ASP HB2 3.81 
 &rst iat=  437, 441, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 ASP H  32 GLU H 5.47 
 &rst iat=  437, 449, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP H  40 ILE H 3.05 
 &rst iat=  570, 582, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP H  42 ASP H 4.85 
 &rst iat=  570, 613, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HA  42 ASP H 4.32 
 &rst iat=  572, 613, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP HA  43 THR H 5.50 
 &rst iat=  572, 625, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 ASP 3HB 2HB    40 ILE H 5.35 
 &rst iat= -1, 582, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 575, 574,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 ILE H  41 ASP H 4.14 
 &rst iat=  582, 601, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE H  42 ASP H 5.14 
 &rst iat=  582, 613, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE HA  43 THR H 5.46 
 &rst iat=  584, 625, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 ILE HA  43 THR HB 4.48 
 &rst iat=  584, 629, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    40 ILE HA 5.50 
 &rst iat= 584, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 632, 631, 633,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 ASP H  41 ASP HB2 3.86 
 &rst iat=  601, 605, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  41 ASP HB3 3.69 
 &rst iat=  601, 606, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  42 ASP HB3 5.08 
 &rst iat=  601, 618, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  43 THR H 4.88 
 &rst iat=  601, 625, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HA  44 ILE HG12 5.23 
 &rst iat=  603, 649, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    41 ASP HA 4.39 
 &rst iat= 603, -1, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 0,  igr2= 653, 652, 654,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 ASP HB2  42 ASP H 4.03 
 &rst iat=  605, 613, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    41 ASP HB2 5.22 
 &rst iat= 605, -1, r1= 5.77, r2= 6.27, r3= 6.27, r4= 6.77,
 igr1= 0,  igr2= 653, 652, 654,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 ASP HB3  42 ASP H 4.04 
 &rst iat=  606, 613, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP H  42 ASP HB2 2.90 
 &rst iat=  613, 617, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP H  42 ASP HB3 2.99 
 &rst iat=  613, 618, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP H  43 THR H 5.22 
 &rst iat=  613, 625, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP H  43 THR HB 5.50 
 &rst iat=  613, 629, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 LYS 2HB 3HB    42 ASP H 5.23 
 &rst iat= 613, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 662, 663,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 ASP HA  43 THR HA 5.25 
 &rst iat=  615, 627, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP HA  45 LYS H 4.77 
 &rst iat=  615, 658, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP HA  45 LYS HG3 5.17 
 &rst iat=  615, 666, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 LYS 2HB 3HB    42 ASP HA 3.41 
 &rst iat= 615, -1, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 0,  igr2= 662, 663,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 3HD 2HD    42 ASP HA 4.20 
 &rst iat= 615, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 669, 668,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 ASP HB2  43 THR H 4.42 
 &rst iat=  617, 625, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 ASP HB3  43 THR H 4.73 
 &rst iat=  618, 625, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    43 THR H 4.66 
 &rst iat= 625, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 632, 631, 633,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    43 THR H 5.28 
 &rst iat= 625, -1, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 0,  igr2= 645, 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    43 THR HA 3.68 
 &rst iat= 627, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 632, 631, 633,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR HA  46 SER H 4.59 
 &rst iat=  627, 680, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 THR HA  46 SER HB3 4.85 
 &rst iat=  627, 685, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 THR HA  47 GLU H 5.07 
 &rst iat=  627, 691, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 THR HB  44 ILE H 4.43 
 &rst iat=  629, 639, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 THR HB  44 ILE HA 5.50 
 &rst iat=  629, 641, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    43 THR HB 5.42 
 &rst iat= 629, -1, r1= 6.01, r2= 6.51, r3= 6.51, r4= 7.01,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    44 ILE H 4.55 
 &rst iat= -1, 639, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 632, 631, 633,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    44 ILE HG12 5.50 
 &rst iat= -1, 649, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 632, 631, 633,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    47 GLU H 4.80 
 &rst iat= -1, 691, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 632, 631, 633,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    47 GLU 2HB 3HB  4.60  
 &rst iat= -1, -1, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 632, 631, 633,   igr2= 695, 696,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    50 VAL 1HG1 3HG1 2HG1  4.47  
 &rst iat= -1, -1, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 632, 631, 633,   igr2= 740, 742, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 THR 2HG2 1HG2 3HG2    50 VAL 1HG2 2HG2 3HG2  3.76  
 &rst iat= -1, -1, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 632, 631, 633,   igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE H  44 ILE HB 3.89 
 &rst iat=  639, 643, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE H  44 ILE HG12 4.70 
 &rst iat=  639, 649, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    44 ILE H 4.44 
 &rst iat= 639, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 653, 652, 654,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    44 ILE H 4.59 
 &rst iat= 639, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 645, 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE H  45 LYS H 3.36 
 &rst iat=  639, 658, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE H  47 GLU H 5.01 
 &rst iat=  639, 691, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    44 ILE HA 4.46 
 &rst iat= 641, -1, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 0,  igr2= 653, 652, 654,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    44 ILE HA 4.14 
 &rst iat= 641, -1, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 0,  igr2= 645, 646, 647,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE HA  45 LYS HA 5.11 
 &rst iat=  641, 660, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE HA  50 VAL HB 5.50 
 &rst iat=  641, 738, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    44 ILE HA 4.92 
 &rst iat= 641, -1, r1= 5.41, r2= 5.91, r3= 5.91, r4= 6.41,
 igr1= 0,  igr2= 740, 742, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    44 ILE HA 3.83 
 &rst iat= 641, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE HB  110 ALA HA 5.23 
 &rst iat=  643, 1709, r1= 4.73, r2= 5.23,
 r3= 5.23, r4= 5.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    44 ILE HB 4.35 
 &rst iat= 643, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 0,  igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    44 ILE HB 3.59 
 &rst iat= 643, -1, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 0,  igr2= 653, 652, 654,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE HB  45 LYS H 4.43 
 &rst iat=  643, 658, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE HG12  45 LYS H 5.50 
 &rst iat=  649, 658, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    97 VAL 3HG1 2HG1 1HG1  4.34  
 &rst iat= -1, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 653, 652, 654,   igr2= 1491, 1490, 1489,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    97 VAL 3HG2 2HG2 1HG2  3.81  
 &rst iat= -1, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 653, 652, 654,   igr2= 1495, 1494, 1493,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    110 ALA HA 5.50 
 &rst iat= -1, 1709, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 653, 652, 654,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 2HD1 1HD1 3HD1    45 LYS H 5.35 
 &rst iat= -1, 658, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 653, 652, 654,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    93 TYR HB2 5.20 
 &rst iat= -1, 1413, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 645, 646, 647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    93 TYR HB3 5.32 
 &rst iat= -1, 1414, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 645, 646, 647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    110 ALA 2HB 3HB 1HB  3.93  
 &rst iat= -1, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 645, 646, 647,   igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    44 ILE 2HD1 1HD1 3HD1  3.29  
 &rst iat= -1, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 645, 646, 647,   igr2= 653, 652, 654,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    45 LYS H 4.64 
 &rst iat= -1, 658, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 645, 646, 647,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    45 LYS 2HB 3HB  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647,   igr2= 662, 663,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 ILE 1HG2 2HG2 3HG2    45 LYS 2HE 3HE  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647,   igr2= 671, 672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 2HB 3HB    45 LYS H 2.75 
 &rst iat= 658, -1, r1= 2.59, r2= 3.09, r3= 3.09, r4= 3.59,
 igr1= 0,  igr2= 662, 663,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 3HD 2HD    45 LYS H 4.75 
 &rst iat= 658, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 669, 668,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS H  46 SER H 3.04 
 &rst iat=  658, 680, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 LYS H  46 SER HB3 4.64 
 &rst iat=  658, 685, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 LYS H  47 GLU H 5.16 
 &rst iat=  658, 691, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 LYS HA  110 ALA H 5.25 
 &rst iat=  660, 1707, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    45 LYS HA 3.30 
 &rst iat= 660, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS HA  45 LYS HG3 3.70 
 &rst iat=  660, 666, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 LYS 3HD 2HD    45 LYS HA 4.42 
 &rst iat= 660, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 669, 668,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    45 LYS HG3 4.24 
 &rst iat= 666, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 0,  igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 2HB 3HB    45 LYS 3HD 2HD  3.21  
 &rst iat= -1, -1, r1= 3.10, r2= 3.60, r3= 8.00, r4= 8.50,
 igr1= 662, 663,   igr2= 669, 668,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 2HB 3HB    45 LYS 2HE 3HE  4.41  
 &rst iat= -1, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 662, 663,   igr2= 671, 672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 2HB 3HB    46 SER H 3.09 
 &rst iat= -1, 680, r1= 2.97, r2= 3.47, r3= 3.47, r4= 3.97,
 igr1= 662, 663,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 2HB 3HB    46 SER HB3 4.56 
 &rst iat= -1, 685, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 662, 663,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 LYS 2HE 3HE    110 ALA 2HB 3HB 1HB  5.06  
 &rst iat= -1, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 671, 672,   igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 SER H  46 SER HB3 4.16 
 &rst iat=  680, 685, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER H  47 GLU H 2.86 
 &rst iat=  680, 691, r1= 2.36, r2= 2.86,
 r3= 2.86, r4= 3.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER HB3  47 GLU H 4.81 
 &rst iat=  685, 691, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 SER HB3  47 GLU HA 4.97 
 &rst iat=  685, 693, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    47 GLU H 4.86 
 &rst iat= 691, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP 3HB 2HB    47 GLU HA 5.34 
 &rst iat= 693, -1, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 0,  igr2= 711, 710,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU 2HB 3HB    49 VAL H 4.81 
 &rst iat= -1, 718, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 695, 696,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU 2HB 3HB    50 VAL 1HG2 2HG2 3HG2  4.37  
 &rst iat= -1, -1, r1= 5.39, r2= 5.89, r3= 5.89, r4= 6.39,
 igr1= 695, 696,   igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP 3HB 2HB    48 ASP H 3.96 
 &rst iat= 706, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 711, 710,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP H  49 VAL H 5.38 
 &rst iat=  706, 718, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    48 ASP H 5.04 
 &rst iat= 706, -1, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 0,  igr2= 728, 730, 729,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP HA  108 ILE HA 5.39 
 &rst iat=  708, 1668, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    48 ASP HA 4.29 
 &rst iat= 708, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP HA  109 LYS H 4.05 
 &rst iat=  708, 1685, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP HA  109 LYS HA 4.50 
 &rst iat=  708, 1687, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP HA  109 LYS HB3 5.50 
 &rst iat=  708, 1690, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    48 ASP HA 5.04 
 &rst iat= 708, -1, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 0,  igr2= 728, 730, 729,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP 3HB 2HB    108 ILE 3HG2 2HG2 1HG2  4.41  
 &rst iat= -1, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 711, 710,   igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP 3HB 2HB    49 VAL H 4.10 
 &rst iat= -1, 718, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 711, 710,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP 3HB 2HB    49 VAL 1HG1 3HG1 2HG1  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 711, 710,   igr2= 724, 726, 725,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP 3HB 2HB    49 VAL 1HG2 3HG2 2HG2  4.05  
 &rst iat= -1, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 711, 710,   igr2= 728, 730, 729,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL H  49 VAL HB 3.95 
 &rst iat=  718, 722, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    49 VAL H 4.03 
 &rst iat= 718, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 724, 726, 725,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    49 VAL H 3.80 
 &rst iat= 718, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 728, 730, 729,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    49 VAL H 3.89 
 &rst iat= 718, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL HA  108 ILE HA 4.01 
 &rst iat=  720, 1668, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL HA  108 ILE HB 5.50 
 &rst iat=  720, 1670, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL HA  108 ILE HG12 5.04 
 &rst iat=  720, 1676, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    49 VAL HA 4.98 
 &rst iat= 720, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 1681, 1680, 1679,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    49 VAL HA 4.19 
 &rst iat= 720, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 0,  igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL HA  109 LYS H 4.64 
 &rst iat=  720, 1685, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    49 VAL HA 3.73 
 &rst iat= 720, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 724, 726, 725,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    49 VAL HA 3.74 
 &rst iat= 720, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 728, 730, 729,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL HA  50 VAL H 3.09 
 &rst iat=  720, 734, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL HA  50 VAL HA 5.20 
 &rst iat=  720, 736, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL HA  50 VAL HB 4.66 
 &rst iat=  720, 738, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    49 VAL HA 5.50 
 &rst iat= 720, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 740, 742, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    49 VAL HA 4.85 
 &rst iat= 720, -1, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    49 VAL HB 5.14 
 &rst iat= 722, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL HB  50 VAL H 5.50 
 &rst iat=  722, 734, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    72 LEU 1HD2 3HD2 2HD2  4.06  
 &rst iat= -1, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 724, 726, 725,   igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    79 TYR HA 4.22 
 &rst iat= -1, 1190, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 724, 726, 725,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    79 TYR 2HB 3HB  4.19  
 &rst iat= -1, -1, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 724, 726, 725,   igr2= 1192, 1193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    108 ILE HA 4.97 
 &rst iat= -1, 1668, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 724, 726, 725,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG1 3HG1 2HG1    50 VAL H 3.55 
 &rst iat= -1, 734, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 724, 726, 725,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    72 LEU 1HD2 3HD2 2HD2  5.36  
 &rst iat= -1, -1, r1= 7.23, r2= 7.73, r3= 7.73, r4= 8.23,
 igr1= 728, 730, 729,   igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    79 TYR HA 4.70 
 &rst iat= -1, 1190, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 728, 730, 729,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    108 ILE HA 4.70 
 &rst iat= -1, 1668, r1= 5.14, r2= 5.64, r3= 5.64, r4= 6.14,
 igr1= 728, 730, 729,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    108 ILE HG12 4.27 
 &rst iat= -1, 1676, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 728, 730, 729,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    108 ILE 3HD1 2HD1 1HD1  3.87  
 &rst iat= -1, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 728, 730, 729,   igr2= 1681, 1680, 1679,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    108 ILE 3HG2 2HG2 1HG2  3.44  
 &rst iat= -1, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 728, 730, 729,   igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    109 LYS H 5.20 
 &rst iat= -1, 1685, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 728, 730, 729,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 VAL 1HG2 3HG2 2HG2    50 VAL H 4.55 
 &rst iat= -1, 734, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 728, 730, 729,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL H  106 LEU HA 5.50 
 &rst iat=  734, 1629, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    50 VAL H 4.78 
 &rst iat= 734, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL H  107 PHE HB2 4.90 
 &rst iat=  734, 1650, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL H  107 PHE HB3 5.46 
 &rst iat=  734, 1651, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL H  108 ILE HA 4.81 
 &rst iat=  734, 1668, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    50 VAL H 5.49 
 &rst iat= 734, -1, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 0,  igr2= 1681, 1680, 1679,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    50 VAL H 5.00 
 &rst iat= 734, -1, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 0,  igr2= 740, 742, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    50 VAL H 4.29 
 &rst iat= 734, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 TYR 2HB 3HB    50 VAL HA 4.95 
 &rst iat= 736, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 1192, 1193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL HA  80 THR HB 4.37 
 &rst iat=  736, 1213, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL HA  81 SER HA 4.80 
 &rst iat=  736, 1225, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    50 VAL HA 3.77 
 &rst iat= 736, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 740, 742, 741,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    50 VAL HA 3.82 
 &rst iat= 736, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 744, 745, 746,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL HA  51 THR H 3.08 
 &rst iat=  736, 750, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    50 VAL HA 4.47 
 &rst iat= 736, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 0,  igr2= 756, 757, 758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL HB  107 PHE HB3 4.85 
 &rst iat=  738, 1651, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    107 PHE HB2 4.49 
 &rst iat= -1, 1650, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 740, 742, 741,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    51 THR H 3.55 
 &rst iat= -1, 750, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 740, 742, 741,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    51 THR HA 5.26 
 &rst iat= -1, 752, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 740, 742, 741,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG1 3HG1 2HG1    52 PHE HD1 HD2  3.90  
 &rst iat= -1, -1, r1= 4.18, r2= 4.68, r3= 9.08, r4= 9.58,
 igr1= 740, 742, 741,   igr2= 772, 780,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 VAL 1HG2 2HG2 3HG2    107 PHE HB2 5.32 
 &rst iat= -1, 1650, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 744, 745, 746,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR H  80 THR HB 5.16 
 &rst iat=  750, 1213, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR H  81 SER HA 3.93 
 &rst iat=  750, 1225, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR H  81 SER HB3 5.44 
 &rst iat=  750, 1228, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE 2HB 3HB    51 THR H 5.50 
 &rst iat= 750, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1238, 1239,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HD2 HD1    51 THR H 5.39 
 &rst iat= 750, -1, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 0,  igr2= 1250, 1242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    51 THR H 4.68 
 &rst iat= 750, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 0,  igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    51 THR H 3.43 
 &rst iat= 750, -1, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 0,  igr2= 756, 757, 758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR HA  81 SER HA 5.50 
 &rst iat=  752, 1225, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HA  105 GLN H 5.50 
 &rst iat=  752, 1610, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HA  106 LEU HA 4.01 
 &rst iat=  752, 1629, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HA  106 LEU HB3 5.48 
 &rst iat=  752, 1632, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    51 THR HA 4.42 
 &rst iat= 752, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR HA  107 PHE H 4.59 
 &rst iat=  752, 1646, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    51 THR HA 3.78 
 &rst iat= 752, -1, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 0,  igr2= 756, 757, 758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR HA  52 PHE H 3.32 
 &rst iat=  752, 764, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HA  52 PHE HA 5.50 
 &rst iat=  752, 766, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HA  52 PHE HB2 5.50 
 &rst iat=  752, 768, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HD1 HD2    51 THR HA 4.67 
 &rst iat= 752, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 772, 780,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    51 THR HB 4.15 
 &rst iat= 754, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    51 THR HB 5.50 
 &rst iat= 754, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 TYR 2HB 3HB    51 THR HB 5.19 
 &rst iat= 754, -1, r1= 5.33, r2= 5.83, r3= 5.83, r4= 6.33,
 igr1= 0,  igr2= 1192, 1193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR HB  81 SER HA 5.34 
 &rst iat=  754, 1225, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HB  106 LEU HA 4.63 
 &rst iat=  754, 1629, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HB  106 LEU HB2 5.50 
 &rst iat=  754, 1631, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HB  106 LEU HB3 5.50 
 &rst iat=  754, 1632, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    51 THR HB 4.80 
 &rst iat= 754, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 0,  igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    51 THR HB 3.70 
 &rst iat= 754, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR HB  107 PHE H 5.50 
 &rst iat=  754, 1646, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR HB  52 PHE H 4.44 
 &rst iat=  754, 764, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    72 LEU 1HD1 3HD1 2HD1  3.27  
 &rst iat= -1, -1, r1= 4.22, r2= 4.72, r3= 4.72, r4= 5.22,
 igr1= 756, 757, 758,   igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    72 LEU 1HD2 3HD2 2HD2  4.71  
 &rst iat= -1, -1, r1= 6.29, r2= 6.79, r3= 6.79, r4= 7.29,
 igr1= 756, 757, 758,   igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    79 TYR H 5.50 
 &rst iat= -1, 1188, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    79 TYR 2HB 3HB  4.97  
 &rst iat= -1, -1, r1= 6.20, r2= 6.70, r3= 6.70, r4= 7.20,
 igr1= 756, 757, 758,   igr2= 1192, 1193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    80 THR HA 5.50 
 &rst iat= -1, 1211, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    81 SER HA 3.56 
 &rst iat= -1, 1225, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    81 SER HB2 4.39 
 &rst iat= -1, 1227, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    82 PHE H 4.14 
 &rst iat= -1, 1234, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    82 PHE 2HB 3HB  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 756, 757, 758,   igr2= 1238, 1239,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    52 PHE H 4.20 
 &rst iat= -1, 764, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    52 PHE HA 4.73 
 &rst iat= -1, 766, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    52 PHE HB2 5.50 
 &rst iat= -1, 768, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    52 PHE HB3 5.08 
 &rst iat= -1, 769, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    53 ILE HA 4.97 
 &rst iat= -1, 786, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 756, 757, 758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 THR 1HG2 2HG2 3HG2    53 ILE 3HD1 2HD1 1HD1  5.23  
 &rst iat= -1, -1, r1= 7.04, r2= 7.54, r3= 7.54, r4= 8.04,
 igr1= 756, 757, 758,   igr2= 799, 798, 797,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE H  82 PHE H 5.47 
 &rst iat=  764, 1234, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  104 PRO HA 5.50 
 &rst iat=  764, 1606, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE H  106 LEU HA 4.80 
 &rst iat=  764, 1629, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    52 PHE H 5.35 
 &rst iat= 764, -1, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 0,  igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE H  53 ILE H 5.50 
 &rst iat=  764, 784, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HA  82 PHE H 4.37 
 &rst iat=  766, 1234, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE 2HB 3HB    52 PHE HA 4.51 
 &rst iat= 766, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 1238, 1239,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD1 HD2    52 PHE HA 4.75 
 &rst iat= 766, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 772, 780,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HA  53 ILE H 3.10 
 &rst iat=  766, 784, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    52 PHE HA 5.50 
 &rst iat= 766, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 799, 798, 797,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG1 2HG1    52 PHE HA 4.63 
 &rst iat= 766, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 0,  igr2= 795, 794,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL 1HG1 2HG1 3HG1    52 PHE HB2 5.50 
 &rst iat= 768, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HB2  104 PRO HA 5.50 
 &rst iat=  768, 1606, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB2  105 GLN H 5.50 
 &rst iat=  768, 1610, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB2  53 ILE H 5.50 
 &rst iat=  768, 784, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB2  53 ILE HA 4.89 
 &rst iat=  768, 786, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 PHE HB3  90 VAL HB 4.86 
 &rst iat=  769, 1362, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL 3HG2 2HG2 1HG2    52 PHE HB3 3.71 
 &rst iat= 769, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 1370, 1369, 1368,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD1 HD2    82 PHE H 5.34 
 &rst iat= -1, 1234, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 772, 780,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD1 HD2    94 VAL 1HG1 2HG1 3HG1  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 772, 780,   igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD1 HD2    94 VAL 1HG2 2HG2 3HG2  4.96  
 &rst iat= -1, -1, r1= 5.46, r2= 5.96, r3= 10.36, r4= 10.86,
 igr1= 772, 780,   igr2= 1440, 1441, 1442,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD1 HD2    104 PRO HA 5.50 
 &rst iat= -1, 1606, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 772, 780,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 PHE HD1 HD2    53 ILE HA 4.96 
 &rst iat= -1, 786, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 772, 780,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE H  82 PHE H 5.50 
 &rst iat=  784, 1234, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    53 ILE H 4.97 
 &rst iat= 784, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 799, 798, 797,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG1 2HG1    53 ILE H 3.61 
 &rst iat= 784, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 795, 794,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    53 ILE H 4.11 
 &rst iat= 784, -1, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 0,  igr2= 792, 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE H  54 LYS H 5.50 
 &rst iat=  784, 803, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE HA  65 SER HB3 4.47 
 &rst iat=  786, 968, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    53 ILE HA 5.47 
 &rst iat= 786, -1, r1= 6.07, r2= 6.57, r3= 6.57, r4= 7.07,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE HA  104 PRO HA 4.40 
 &rst iat=  786, 1606, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE HA  104 PRO HB2 4.41 
 &rst iat=  786, 1603, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE HA  104 PRO HB3 4.63 
 &rst iat=  786, 1604, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 PRO 2HG 3HG    53 ILE HA 5.50 
 &rst iat= 786, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1600, 1601,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    53 ILE HA 3.58 
 &rst iat= 786, -1, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 0,  igr2= 792, 790, 791,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE HA  54 LYS HA 4.55 
 &rst iat=  786, 805, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE HB  83 ASP HA 5.50 
 &rst iat=  788, 1256, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    53 ILE HB 3.96 
 &rst iat= 788, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 799, 798, 797,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE HB  54 LYS H 3.93 
 &rst iat=  788, 803, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE HB  57 PRO HA 5.50 
 &rst iat=  788, 861, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    65 SER HB3 5.33 
 &rst iat= -1, 968, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    69 ILE H 5.50 
 &rst iat= -1, 1037, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    69 ILE HG12 5.27 
 &rst iat= -1, 1047, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    69 ILE HG13 5.11 
 &rst iat= -1, 1048, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    69 ILE 1HD1 2HD1 3HD1  3.99  
 &rst iat= -1, -1, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 799, 798, 797,   igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    69 ILE 1HG2 2HG2 3HG2  5.16  
 &rst iat= -1, -1, r1= 6.94, r2= 7.44, r3= 7.44, r4= 7.94,
 igr1= 799, 798, 797,   igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    81 SER HB3 5.50 
 &rst iat= -1, 1228, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    83 ASP HA 5.50 
 &rst iat= -1, 1256, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    54 LYS H 5.43 
 &rst iat= -1, 803, r1= 6.02, r2= 6.52, r3= 6.52, r4= 7.02,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    56 LEU H 5.05 
 &rst iat= -1, 832, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    56 LEU HA 4.36 
 &rst iat= -1, 834, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    57 PRO HA 4.11 
 &rst iat= -1, 861, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    57 PRO HB2 5.14 
 &rst iat= -1, 858, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    57 PRO HB3 3.76 
 &rst iat= -1, 859, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 799, 798, 797,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HD1 2HD1 1HD1    57 PRO 3HG 2HG  4.50  
 &rst iat= -1, -1, r1= 4.90, r2= 5.40, r3= 9.80, r4= 10.30,
 igr1= 799, 798, 797,   igr2= 856, 855,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    62 CYS HB2 5.32 
 &rst iat= -1, 925, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    62 CYS HB3 5.50 
 &rst iat= -1, 926, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    65 SER HB2 4.31 
 &rst iat= -1, 967, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    65 SER HB3 3.88 
 &rst iat= -1, 968, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    69 ILE H 5.18 
 &rst iat= -1, 1037, r1= 5.72, r2= 6.22, r3= 6.22, r4= 6.72,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    69 ILE 1HD1 2HD1 3HD1  4.56  
 &rst iat= -1, -1, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 792, 790, 791,   igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    104 PRO HB2 4.21 
 &rst iat= -1, 1603, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    104 PRO HB3 4.18 
 &rst iat= -1, 1604, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    104 PRO 2HD 3HD  5.23  
 &rst iat= -1, -1, r1= 5.78, r2= 6.28, r3= 10.68, r4= 11.18,
 igr1= 792, 790, 791,   igr2= 1597, 1598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    104 PRO 2HG 3HG  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 792, 790, 791,   igr2= 1600, 1601,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    53 ILE 3HD1 2HD1 1HD1  3.50  
 &rst iat= -1, -1, r1= 4.55, r2= 5.05, r3= 5.05, r4= 5.55,
 igr1= 792, 790, 791,   igr2= 799, 798, 797,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    53 ILE 3HG1 2HG1  3.86  
 &rst iat= -1, -1, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 792, 790, 791,   igr2= 795, 794,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    54 LYS H 3.96 
 &rst iat= -1, 803, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    54 LYS HB2 4.40 
 &rst iat= -1, 807, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 792, 790, 791,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    54 LYS 2HD 3HD  3.69  
 &rst iat= -1, -1, r1= 3.93, r2= 4.43, r3= 8.83, r4= 9.33,
 igr1= 792, 790, 791,   igr2= 813, 814,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 ILE 3HG2 1HG2 2HG2    54 LYS 2HE 3HE  5.04  
 &rst iat= -1, -1, r1= 6.29, r2= 6.79, r3= 6.79, r4= 7.29,
 igr1= 792, 790, 791,   igr2= 816, 817,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS H  65 SER HB3 4.75 
 &rst iat=  803, 968, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS 2HD 3HD    54 LYS HA 4.93 
 &rst iat= 805, -1, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 0,  igr2= 813, 814,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS HA  55 GLY H 3.26 
 &rst iat=  805, 825, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 MET 2HB 3HB    54 LYS HB2 3.92 
 &rst iat= 807, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 908, 909,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS HB2  62 CYS HB2 4.71 
 &rst iat=  807, 925, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS HB2  62 CYS HB3 5.50 
 &rst iat=  807, 926, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS HG2  61 MET HA 5.50 
 &rst iat=  810, 906, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS HG3  61 MET HA 5.50 
 &rst iat=  811, 906, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 LYS 2HD 3HD    62 CYS HB3 4.97 
 &rst iat= -1, 926, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 813, 814,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 LYS 2HE 3HE    62 CYS HB3 4.81 
 &rst iat= -1, 926, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 816, 817,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 GLY H  83 ASP HA 4.60 
 &rst iat=  825, 1256, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 GLY H  84 VAL H 5.44 
 &rst iat=  825, 1266, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 GLY HA2  56 LEU CG 5.50 
 &rst iat=  827, 838, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 GLY HA3  56 LEU H 3.44 
 &rst iat=  828, 832, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 GLY HA3  56 LEU HG 5.03 
 &rst iat=  828, 839, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 ALA 2HB 3HB 1HB    56 LEU H 4.08 
 &rst iat= 832, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 885, 886, 884,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU H  56 LEU HG 3.27 
 &rst iat=  832, 839, r1= 2.77, r2= 3.27,
 r3= 3.27, r4= 3.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU 2HB 3HB    56 LEU H 3.25 
 &rst iat= 832, -1, r1= 3.15, r2= 3.65, r3= 3.65, r4= 4.15,
 igr1= 0,  igr2= 836, 837,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU H  56 LEU CG 3.74 
 &rst iat=  832, 838, r1= 3.24, r2= 3.74,
 r3= 8.14, r4= 8.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  58 GLU H 5.17 
 &rst iat=  834, 865, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  59 ALA H 5.49 
 &rst iat=  834, 880, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  81 SER HB3 5.50 
 &rst iat=  834, 1228, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  56 LEU HG 3.75 
 &rst iat=  834, 839, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  56 LEU CG 3.53 
 &rst iat=  834, 838, r1= 3.03, r2= 3.53,
 r3= 7.93, r4= 8.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 LEU HA  57 PRO HB3 5.50 
 &rst iat=  834, 859, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO 3HG 2HG    56 LEU HA 4.78 
 &rst iat= 834, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 0,  igr2= 856, 855,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    58 GLU H 4.48 
 &rst iat= -1, 865, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 836, 837,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    58 GLU 2HG 3HG  5.50  
 &rst iat= -1, -1, r1= 5.67, r2= 6.17, r3= 10.57, r4= 11.07,
 igr1= 836, 837,   igr2= 872, 873,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    59 ALA H 4.41 
 &rst iat= -1, 880, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 836, 837,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 LEU 2HB 3HB    56 LEU CG 3.61 
 &rst iat= -1, 838, r1= 3.55, r2= 4.05, r3= 8.45, r4= 8.95,
 igr1= 836, 837,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO 3HG 2HG    56 LEU CG 4.20 
 &rst iat= 838, -1, r1= 4.21, r2= 4.71, r3= 9.11, r4= 9.61,
 igr1= 0,  igr2= 856, 855,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO HA  69 ILE HG12 4.94 
 &rst iat=  861, 1047, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO HA  69 ILE HG13 4.03 
 &rst iat=  861, 1048, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    57 PRO HA 4.26 
 &rst iat= 861, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    57 PRO HA 4.08 
 &rst iat= 861, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO HB2  58 GLU H 4.65 
 &rst iat=  858, 865, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO HB2  58 GLU HA 4.78 
 &rst iat=  858, 867, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO HB2  69 ILE HA 5.50 
 &rst iat=  858, 1039, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO HB2  69 ILE HG13 5.50 
 &rst iat=  858, 1048, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    57 PRO HB2 4.43 
 &rst iat= 858, -1, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    57 PRO HB2 4.18 
 &rst iat= 858, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO HB3  58 GLU H 4.31 
 &rst iat=  859, 865, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    57 PRO HB3 5.50 
 &rst iat= 859, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO HB3  81 SER HB2 5.01 
 &rst iat=  859, 1227, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO HB3  81 SER HB3 4.65 
 &rst iat=  859, 1228, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 PRO 3HG 2HG    59 ALA H 4.94 
 &rst iat= -1, 880, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 856, 855,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO 3HG 2HG    69 ILE 1HD1 2HD1 3HD1  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 856, 855,   igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO 3HG 2HG    69 ILE 1HG2 2HG2 3HG2  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 856, 855,   igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 PRO 3HG 2HG    81 SER HB3 5.16 
 &rst iat= -1, 1228, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 856, 855,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 GLU 2HB 3HB    58 GLU H 2.85 
 &rst iat= 865, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 869, 870,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 GLU 2HG 3HG    58 GLU H 4.90 
 &rst iat= 865, -1, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 0,  igr2= 872, 873,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 GLU H  59 ALA H 2.95 
 &rst iat=  865, 880, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 GLU 2HB 3HB    58 GLU HA 3.00 
 &rst iat= 867, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 869, 870,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 ALA 2HB 3HB 1HB    58 GLU HA 5.50 
 &rst iat= 867, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 885, 886, 884,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 GLU 2HB 3HB    59 ALA HA 5.14 
 &rst iat= -1, 882, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 869, 870,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  58 GLU 2HG 3HG    59 ALA H 4.46 
 &rst iat= -1, 880, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 872, 873,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 ALA 2HB 3HB 1HB    59 ALA H 3.08 
 &rst iat= 880, -1, r1= 3.20, r2= 3.70, r3= 3.70, r4= 4.20,
 igr1= 0,  igr2= 885, 886, 884,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 PRO 2HG 3HG    61 MET HA 5.24 
 &rst iat= -1, 906, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 894, 895,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 MET H  62 CYS H 3.08 
 &rst iat=  904, 921, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 MET HA  61 MET HG2 4.07 
 &rst iat=  906, 911, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 MET HA  61 MET HG3 3.76 
 &rst iat=  906, 912, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 MET 1HE 2HE 3HE    61 MET HA 4.15 
 &rst iat= 906, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 915, 916, 917,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 CYS HA  64 TYR H 4.34 
 &rst iat=  923, 942, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 CYS HB2  64 TYR H 4.93 
 &rst iat=  925, 942, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 CYS HB2  65 SER H 5.50 
 &rst iat=  925, 963, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 CYS HB2  65 SER HB3 5.50 
 &rst iat=  925, 968, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 CYS HB3  64 TYR H 4.54 
 &rst iat=  926, 942, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 CYS HB3  65 SER H 5.17 
 &rst iat=  926, 963, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 CYS HB3  65 SER HB3 5.50 
 &rst iat=  926, 968, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR H  64 TYR HB3 4.11 
 &rst iat=  942, 947, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR H  65 SER H 3.21 
 &rst iat=  942, 963, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR H  66 LYS H 5.01 
 &rst iat=  942, 974, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR H  67 ARG H 5.50 
 &rst iat=  942, 996, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR HA  67 ARG H 4.53 
 &rst iat=  944, 996, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR HA  67 ARG HG2 5.31 
 &rst iat=  944, 1003, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 TYR HA  67 ARG HG3 5.36 
 &rst iat=  944, 1004, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG 2HB 3HB    64 TYR HA 4.04 
 &rst iat= 944, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 1000, 1001,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 TYR HB2  65 SER H 4.77 
 &rst iat=  946, 963, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 PRO 2HG 3HG    64 TYR HB2 5.44 
 &rst iat= 946, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 0,  igr2= 1600, 1601,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 TYR HB3  65 SER H 4.90 
 &rst iat=  947, 963, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 PRO 2HD 3HD    64 TYR HB3 4.53 
 &rst iat= 947, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 0,  igr2= 1597, 1598,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  104 PRO 2HG 3HG    64 TYR HB3 4.87 
 &rst iat= 947, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 0,  igr2= 1600, 1601,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 SER H  66 LYS H 5.32 
 &rst iat=  963, 974, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 SER HA  66 LYS HA 5.50 
 &rst iat=  965, 976, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 SER HB3  66 LYS H 4.65 
 &rst iat=  968, 974, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS H  66 LYS HB2 3.20 
 &rst iat=  974, 978, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS H  66 LYS HB3 4.07 
 &rst iat=  974, 979, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG 2HB 3HB    66 LYS HA 5.50 
 &rst iat= 976, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1000, 1001,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS HA  68 MET H 5.40 
 &rst iat=  976, 1020, r1= 4.90, r2= 5.40,
 r3= 5.40, r4= 5.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HA  69 ILE H 5.06 
 &rst iat=  976, 1037, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HA  69 ILE HB 4.25 
 &rst iat=  976, 1041, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HA  69 ILE HG13 4.66 
 &rst iat=  976, 1048, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    66 LYS HA 5.44 
 &rst iat= 976, -1, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    66 LYS HA 5.50 
 &rst iat= 976, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS HA  70 ASP H 5.17 
 &rst iat=  976, 1056, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HB2  67 ARG H 5.04 
 &rst iat=  978, 996, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HE 2HE    66 LYS HB3 4.84 
 &rst iat= 979, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 988, 987,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS HB3  67 ARG H 3.12 
 &rst iat=  979, 996, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HB3  67 ARG HA 4.30 
 &rst iat=  979, 998, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS HB3  67 ARG HG2 3.81 
 &rst iat=  979, 1003, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LYS 3HE 2HE    67 ARG HA 5.09 
 &rst iat= -1, 998, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 988, 987,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LYS 3HE 2HE    67 ARG HD3 4.77 
 &rst iat= -1, 1007, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 988, 987,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ARG 2HB 3HB    67 ARG H 2.89 
 &rst iat= 996, -1, r1= 2.74, r2= 3.24, r3= 3.24, r4= 3.74,
 igr1= 0,  igr2= 1000, 1001,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 ARG H  68 MET H 5.44 
 &rst iat=  996, 1020, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG H  69 ILE H 5.50 
 &rst iat=  996, 1037, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG HA  70 ASP H 4.26 
 &rst iat=  998, 1056, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG HA  70 ASP HB2 3.99 
 &rst iat=  998, 1060, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG HG2  70 ASP HB2 5.50 
 &rst iat=  1003, 1060, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 ARG HG3  68 MET H 5.50 
 &rst iat=  1004, 1020, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET H  69 ILE H 3.46 
 &rst iat=  1020, 1037, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET H  69 ILE HG12 5.50 
 &rst iat=  1020, 1047, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET HA  69 ILE HA 5.31 
 &rst iat=  1022, 1039, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET HA  69 ILE HG12 5.50 
 &rst iat=  1022, 1047, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET HA  71 VAL HB 4.49 
 &rst iat=  1022, 1072, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET HA  72 LEU H 5.50 
 &rst iat=  1022, 1084, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 MET HG3  69 ILE HA 5.50 
 &rst iat=  1028, 1039, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE H  69 ILE HB 3.42 
 &rst iat=  1037, 1041, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE H  69 ILE HG12 3.71 
 &rst iat=  1037, 1047, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE H  69 ILE HG13 4.76 
 &rst iat=  1037, 1048, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    69 ILE H 3.87 
 &rst iat= 1037, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    69 ILE H 4.21 
 &rst iat= 1037, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE H  70 ASP H 2.98 
 &rst iat=  1037, 1056, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    69 ILE HA 3.42 
 &rst iat= 1039, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    69 ILE HA 3.81 
 &rst iat= 1039, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1043, 1044, 1045,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE HA  70 ASP HA 5.10 
 &rst iat=  1039, 1058, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE HA  72 LEU H 4.31 
 &rst iat=  1039, 1084, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE HA  72 LEU HB2 4.28 
 &rst iat=  1039, 1088, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE HA  72 LEU HG 4.69 
 &rst iat=  1039, 1091, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    69 ILE HA 4.13 
 &rst iat= 1039, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    69 ILE HA 5.50 
 &rst iat= 1039, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE HA  73 GLU H 5.01 
 &rst iat=  1039, 1103, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    69 ILE HB 3.88 
 &rst iat= 1041, -1, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 0,  igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE HB  70 ASP H 3.26 
 &rst iat=  1041, 1056, r1= 2.76, r2= 3.26,
 r3= 3.26, r4= 3.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE HB  70 ASP HA 5.02 
 &rst iat=  1041, 1058, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE HG13  70 ASP H 5.50 
 &rst iat=  1048, 1056, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    70 ASP H 5.32 
 &rst iat= -1, 1056, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 1050, 1051, 1052,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    72 LEU H 5.40 
 &rst iat= -1, 1084, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 1050, 1051, 1052,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    72 LEU 1HD1 3HD1 2HD1  3.80  
 &rst iat= -1, -1, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1050, 1051, 1052,   igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    72 LEU 1HD2 3HD2 2HD2  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 1050, 1051, 1052,   igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HD1 2HD1 3HD1    78 GLU HG2 5.39 
 &rst iat= -1, 1180, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 1050, 1051, 1052,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    69 ILE HG12 3.67 
 &rst iat= -1, 1047, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    69 ILE HG13 3.72 
 &rst iat= -1, 1048, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    69 ILE 1HD1 2HD1 3HD1  3.49  
 &rst iat= -1, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1043, 1044, 1045,   igr2= 1050, 1051, 1052,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    70 ASP H 4.31 
 &rst iat= -1, 1056, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    70 ASP HA 4.50 
 &rst iat= -1, 1058, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    72 LEU HB2 4.79 
 &rst iat= -1, 1088, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    72 LEU 1HD1 3HD1 2HD1  5.17  
 &rst iat= -1, -1, r1= 6.96, r2= 7.46, r3= 7.46, r4= 7.96,
 igr1= 1043, 1044, 1045,   igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    73 GLU H 4.84 
 &rst iat= -1, 1103, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 ILE 1HG2 2HG2 3HG2    78 GLU HG2 3.81 
 &rst iat= -1, 1180, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 1043, 1044, 1045,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP H  70 ASP HB2 3.28 
 &rst iat=  1056, 1060, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  70 ASP HB3 3.22 
 &rst iat=  1056, 1061, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  71 VAL H 5.41 
 &rst iat=  1056, 1068, r1= 4.91, r2= 5.41,
 r3= 5.41, r4= 5.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP H  72 LEU H 5.07 
 &rst iat=  1056, 1084, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP HA  71 VAL HA 5.50 
 &rst iat=  1058, 1070, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP HA  72 LEU H 5.21 
 &rst iat=  1058, 1084, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP HA  73 GLU H 4.32 
 &rst iat=  1058, 1103, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 GLU 3HB 2HB    70 ASP HA 4.22 
 &rst iat= 1058, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1108, 1107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP HA  74 ALA H 4.84 
 &rst iat=  1058, 1118, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    70 ASP HA 5.01 
 &rst iat= 1058, -1, r1= 5.52, r2= 6.02, r3= 6.02, r4= 6.52,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 ASP HB2  71 VAL H 4.19 
 &rst iat=  1060, 1068, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP HB2  71 VAL HA 5.45 
 &rst iat=  1060, 1070, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 ASP HB3  71 VAL HA 5.21 
 &rst iat=  1061, 1070, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    70 ASP HB3 5.50 
 &rst iat= 1061, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 VAL H  71 VAL HB 3.25 
 &rst iat=  1068, 1072, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 VAL HA  73 GLU H 5.50 
 &rst iat=  1070, 1103, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 VAL HA  74 ALA H 4.42 
 &rst iat=  1070, 1118, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    71 VAL HA 3.56 
 &rst iat= 1070, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 2HD1 3HD1 1HD1    71 VAL HA 3.36 
 &rst iat= 1070, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 1HD2 2HD2 3HD2    71 VAL HA 4.75 
 &rst iat= 1070, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 0,  igr2= 1914, 1915, 1916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 VAL HB  72 LEU H 3.87 
 &rst iat=  1072, 1084, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 VAL HB  72 LEU HG 5.50 
 &rst iat=  1072, 1091, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    71 VAL HB 5.50 
 &rst iat= 1072, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    71 VAL HB 5.50 
 &rst iat= 1072, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU H  72 LEU HB2 4.19 
 &rst iat=  1084, 1088, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU H  72 LEU HB3 3.65 
 &rst iat=  1084, 1089, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU H  72 LEU HG 3.41 
 &rst iat=  1084, 1091, r1= 2.91, r2= 3.41,
 r3= 3.41, r4= 3.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    72 LEU H 4.24 
 &rst iat= 1084, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 0,  igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    72 LEU H 3.84 
 &rst iat= 1084, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU H  73 GLU H 5.11 
 &rst iat=  1084, 1103, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU H  74 ALA H 4.79 
 &rst iat=  1084, 1118, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU HA  72 LEU HG 3.78 
 &rst iat=  1086, 1091, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    72 LEU HA 4.09 
 &rst iat= 1086, -1, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 0,  igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    72 LEU HA 3.17 
 &rst iat= 1086, -1, r1= 3.31, r2= 3.81, r3= 3.81, r4= 4.31,
 igr1= 0,  igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU HA  73 GLU HA 4.97 
 &rst iat=  1086, 1105, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU HA  74 ALA H 5.30 
 &rst iat=  1086, 1118, r1= 4.80, r2= 5.30,
 r3= 5.30, r4= 5.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    72 LEU HA 5.50 
 &rst iat= 1086, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    72 LEU HB2 3.73 
 &rst iat= 1088, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 1093, 1095, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    72 LEU HB2 3.88 
 &rst iat= 1088, -1, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 0,  igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU HB2  73 GLU H 3.42 
 &rst iat=  1088, 1103, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU HB2  73 GLU HA 5.17 
 &rst iat=  1088, 1105, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU HB2  78 GLU HG2 4.70 
 &rst iat=  1088, 1180, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    72 LEU HB3 2.80 
 &rst iat= 1089, -1, r1= 2.86, r2= 3.36, r3= 3.36, r4= 3.86,
 igr1= 0,  igr2= 1097, 1099, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU HB3  73 GLU HA 4.84 
 &rst iat=  1089, 1105, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 GLU 3HB 2HB    72 LEU HB3 5.50 
 &rst iat= 1089, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1108, 1107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU HB3  78 GLU HG2 5.13 
 &rst iat=  1089, 1180, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU HG  73 GLU H 5.42 
 &rst iat=  1091, 1103, r1= 4.92, r2= 5.42,
 r3= 5.42, r4= 5.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU HG  78 GLU HG2 5.50 
 &rst iat=  1091, 1180, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    73 GLU H 4.93 
 &rst iat= -1, 1103, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 1093, 1095, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    78 GLU HG2 4.79 
 &rst iat= -1, 1180, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 1093, 1095, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    79 TYR HA 5.21 
 &rst iat= -1, 1190, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 1093, 1095, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    79 TYR 2HB 3HB  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 1093, 1095, 1094,   igr2= 1192, 1193,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    106 LEU 1HD1 2HD1 3HD1  5.23  
 &rst iat= -1, -1, r1= 7.04, r2= 7.54, r3= 7.54, r4= 8.04,
 igr1= 1093, 1095, 1094,   igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD1 3HD1 2HD1    106 LEU 1HD2 2HD2 3HD2  4.06  
 &rst iat= -1, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 1093, 1095, 1094,   igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    73 GLU H 4.77 
 &rst iat= -1, 1103, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 1097, 1099, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    74 ALA H 5.50 
 &rst iat= -1, 1118, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1097, 1099, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    78 GLU HG2 4.65 
 &rst iat= -1, 1180, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 1097, 1099, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    106 LEU 1HD1 2HD1 3HD1  3.14  
 &rst iat= -1, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 1097, 1099, 1098,   igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 LEU 1HD2 3HD2 2HD2    106 LEU 1HD2 2HD2 3HD2  3.86  
 &rst iat= -1, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 1097, 1099, 1098,   igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 GLU 3HB 2HB    73 GLU H 4.01 
 &rst iat= 1103, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 1108, 1107,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 GLU H  74 ALA H 3.08 
 &rst iat=  1103, 1118, r1= 2.58, r2= 3.08,
 r3= 3.08, r4= 3.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    73 GLU H 4.55 
 &rst iat= 1103, -1, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    73 GLU HA 5.00 
 &rst iat= 1105, -1, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 GLU HA  75 LEU H 4.19 
 &rst iat=  1105, 1128, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 GLU HA  76 GLY H 3.99 
 &rst iat=  1105, 1147, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 GLU 3HB 2HB    74 ALA HA 4.55 
 &rst iat= -1, 1120, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 1108, 1107,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 GLU 3HB 2HB    75 LEU H 5.16 
 &rst iat= -1, 1128, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 1108, 1107,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    74 ALA H 2.88 
 &rst iat= 1118, -1, r1= 2.96, r2= 3.46, r3= 3.46, r4= 3.96,
 igr1= 0,  igr2= 1122, 1123, 1124,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA H  75 LEU H 3.24 
 &rst iat=  1118, 1128, r1= 2.74, r2= 3.24,
 r3= 3.24, r4= 3.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA H  76 GLY H 5.50 
 &rst iat=  1118, 1147, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 ALA HA  76 GLY H 4.25 
 &rst iat=  1120, 1147, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU 2HD1 3HD1 1HD1    74 ALA HA 5.25 
 &rst iat= 1120, -1, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 0,  igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    75 LEU H 3.26 
 &rst iat= -1, 1128, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 1122, 1123, 1124,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    76 GLY H 4.97 
 &rst iat= -1, 1147, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 1122, 1123, 1124,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    123 LEU 2HD1 3HD1 1HD1  3.42  
 &rst iat= -1, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 1122, 1123, 1124,   igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 ALA 1HB 2HB 3HB    123 LEU 1HD2 2HD2 3HD2  3.25  
 &rst iat= -1, -1, r1= 4.19, r2= 4.69, r3= 4.69, r4= 5.19,
 igr1= 1122, 1123, 1124,   igr2= 1914, 1915, 1916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU H  76 GLY H 2.79 
 &rst iat=  1128, 1147, r1= 2.29, r2= 2.79,
 r3= 2.79, r4= 3.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HA  75 LEU HG 4.09 
 &rst iat=  1130, 1135, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HA  139 CYS HB2 4.77 
 &rst iat=  1130, 2166, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HA  140 ARG H 4.98 
 &rst iat=  1130, 2173, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HA  140 ARG HB2 3.44 
 &rst iat=  1130, 2177, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG 3HD 2HD    75 LEU HA 5.50 
 &rst iat= 1130, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 2184, 2183,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU HG  139 CYS HB2 5.50 
 &rst iat=  1135, 2166, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 3HB 2HB    123 LEU 1HD2 2HD2 3HD2  3.76  
 &rst iat= -1, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 1133, 1132,   igr2= 1914, 1915, 1916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 3HB 2HB    139 CYS HB2 4.15 
 &rst iat= -1, 2166, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 1133, 1132,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 3HB 2HB    139 CYS HB3 4.81 
 &rst iat= -1, 2167, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 1133, 1132,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 3HB 2HB    140 ARG H 5.50 
 &rst iat= -1, 2173, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1133, 1132,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 GLY H  76 GLY HA2 2.80 
 &rst iat=  1147, 1149, r1= 2.30, r2= 2.80,
 r3= 2.80, r4= 3.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 GLY H  77 LEU H 5.25 
 &rst iat=  1147, 1154, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 GLY H  140 ARG H 5.31 
 &rst iat=  1147, 2173, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 GLY HA2  140 ARG HB2 5.50 
 &rst iat=  1149, 2177, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 GLY HA3  140 ARG H 5.21 
 &rst iat=  1150, 2173, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 GLY HA3  140 ARG HB2 4.95 
 &rst iat=  1150, 2177, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG 3HD 2HD    76 GLY HA3 5.10 
 &rst iat= 1150, -1, r1= 5.22, r2= 5.72, r3= 5.72, r4= 6.22,
 igr1= 0,  igr2= 2184, 2183,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LEU H  77 LEU HB2 2.93 
 &rst iat=  1154, 1158, r1= 2.43, r2= 2.93,
 r3= 2.93, r4= 3.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LEU HA  78 GLU H 2.73 
 &rst iat=  1156, 1173, r1= 2.23, r2= 2.73,
 r3= 2.73, r4= 3.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLU 2HB 3HB    77 LEU HA 4.22 
 &rst iat= 1156, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1177, 1178,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 LEU HB2  78 GLU H 4.79 
 &rst iat=  1158, 1173, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LEU HB2  139 CYS HA 4.83 
 &rst iat=  1158, 2164, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LEU HB2  139 CYS HB2 4.38 
 &rst iat=  1158, 2166, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LEU HG  139 CYS HA 4.78 
 &rst iat=  1161, 2164, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 LEU HG  139 CYS HB3 5.50 
 &rst iat=  1161, 2167, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLU 2HB 3HB    78 GLU H 3.00 
 &rst iat= 1173, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 1177, 1178,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 GLU HA  79 TYR H 2.50 
 &rst iat=  1175, 1188, r1= 2.00, r2= 2.50,
 r3= 2.50, r4= 3.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLU HA  79 TYR HA 4.72 
 &rst iat=  1175, 1190, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLU HG2  79 TYR H 5.50 
 &rst iat=  1180, 1188, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 GLU 2HB 3HB    79 TYR H 4.12 
 &rst iat= -1, 1188, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 1177, 1178,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 GLU 2HB 3HB    79 TYR HA 5.14 
 &rst iat= -1, 1190, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 1177, 1178,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 TYR H  80 THR H 5.25 
 &rst iat=  1188, 1209, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 TYR HA  80 THR H 2.97 
 &rst iat=  1190, 1209, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 TYR HA  80 THR HA 4.79 
 &rst iat=  1190, 1211, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 TYR 2HB 3HB    80 THR H 3.37 
 &rst iat= -1, 1209, r1= 3.28, r2= 3.78, r3= 3.78, r4= 4.28,
 igr1= 1192, 1193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 TYR 2HB 3HB    80 THR HA 4.85 
 &rst iat= -1, 1211, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 1192, 1193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  79 TYR 2HB 3HB    80 THR HB 4.81 
 &rst iat= -1, 1213, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 1192, 1193,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  80 THR H  80 THR HB 3.03 
 &rst iat=  1209, 1213, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 THR HA  81 SER H 2.70 
 &rst iat=  1211, 1223, r1= 2.20, r2= 2.70,
 r3= 2.70, r4= 3.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 THR HA  81 SER HA 5.00 
 &rst iat=  1211, 1225, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 THR HA  81 SER HB3 5.28 
 &rst iat=  1211, 1228, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER H  81 SER HB2 4.21 
 &rst iat=  1223, 1227, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER H  81 SER HB3 4.10 
 &rst iat=  1223, 1228, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER HA  82 PHE H 2.93 
 &rst iat=  1225, 1234, r1= 2.43, r2= 2.93,
 r3= 2.93, r4= 3.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 SER HA  82 PHE HA 5.50 
 &rst iat=  1225, 1236, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    81 SER HA 5.50 
 &rst iat= 1225, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1250, 1242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE H  83 ASP H 5.50 
 &rst iat=  1234, 1254, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HD2 HD1    82 PHE HA 4.41 
 &rst iat= 1236, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 1250, 1242,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE HA  83 ASP H 3.02 
 &rst iat=  1236, 1254, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HA  83 ASP HA 4.52 
 &rst iat=  1236, 1256, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE HA  83 ASP HB3 4.65 
 &rst iat=  1236, 1259, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 PHE 2HB 3HB    83 ASP H 4.58 
 &rst iat= -1, 1254, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 1238, 1239,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 PHE 2HB 3HB    90 VAL 3HG1 2HG1 1HG1  4.15  
 &rst iat= -1, -1, r1= 5.09, r2= 5.59, r3= 5.59, r4= 6.09,
 igr1= 1238, 1239,   igr2= 1366, 1365, 1364,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 ASP H  83 ASP HB2 4.21 
 &rst iat=  1254, 1258, r1= 3.71, r2= 4.21,
 r3= 4.21, r4= 4.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 ASP H  83 ASP HB3 4.18 
 &rst iat=  1254, 1259, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 ASP H  86 ALA H 5.46 
 &rst iat=  1254, 1301, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    83 ASP H 4.93 
 &rst iat= 1254, -1, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 0,  igr2= 1307, 1306, 1305,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 ASP HA  84 VAL H 3.30 
 &rst iat=  1256, 1266, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 ASP HA  84 VAL HA 5.26 
 &rst iat=  1256, 1268, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 ASP HA  85 LEU H 4.09 
 &rst iat=  1256, 1282, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 ASP HA  86 ALA H 5.39 
 &rst iat=  1256, 1301, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    83 ASP HA 5.14 
 &rst iat= 1256, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1307, 1306, 1305,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 ASP HB2  84 VAL H 5.33 
 &rst iat=  1258, 1266, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 ASP HB2  86 ALA H 5.50 
 &rst iat=  1258, 1301, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    83 ASP HB2 4.42 
 &rst iat= 1258, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1307, 1306, 1305,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 ASP HB3  84 VAL H 4.37 
 &rst iat=  1259, 1266, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    83 ASP HB3 3.90 
 &rst iat= 1259, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 1307, 1306, 1305,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 VAL H  85 LEU H 3.50 
 &rst iat=  1266, 1282, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 VAL H  86 ALA H 5.50 
 &rst iat=  1266, 1301, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL 3HG2 2HG2 1HG2    84 VAL HA 3.89 
 &rst iat= 1268, -1, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 0,  igr2= 1370, 1369, 1368,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 VAL HA  91 ARG H 5.10 
 &rst iat=  1268, 1374, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 VAL HB  90 VAL HB 5.17 
 &rst iat=  1270, 1362, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 VAL HB  91 ARG H 5.50 
 &rst iat=  1270, 1374, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  85 LEU HB2 3.05 
 &rst iat=  1282, 1286, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  85 LEU HB3 3.99 
 &rst iat=  1282, 1287, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  85 LEU HG 4.37 
 &rst iat=  1282, 1289, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU H  86 ALA H 3.19 
 &rst iat=  1282, 1301, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    85 LEU H 4.65 
 &rst iat= 1282, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 1307, 1306, 1305,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  85 LEU HA  85 LEU HG 4.24 
 &rst iat=  1284, 1289, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  85 LEU HA  87 HID H 5.03 
 &rst iat=  1284, 1311, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    86 ALA H 3.03 
 &rst iat= 1301, -1, r1= 3.14, r2= 3.64, r3= 3.64, r4= 4.14,
 igr1= 0,  igr2= 1307, 1306, 1305,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 ALA H  87 HID H 2.97 
 &rst iat=  1301, 1311, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    87 HID H 3.38 
 &rst iat= -1, 1311, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 1307, 1306, 1305,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    87 HID HA 5.50 
 &rst iat= -1, 1313, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1307, 1306, 1305,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    87 HID HB2 5.35 
 &rst iat= -1, 1315, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 1307, 1306, 1305,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  86 ALA 3HB 2HB 1HB    87 HID HB3 4.98 
 &rst iat= -1, 1316, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 1307, 1306, 1305,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 HID H  87 HID HB3 4.18 
 &rst iat=  1311, 1316, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 HID H  88 PRO HD2 4.97 
 &rst iat=  1311, 1329, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  87 HID HA  88 PRO HD2 3.48 
 &rst iat=  1313, 1329, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 PRO 3HG 2HG    87 HID HA 4.22 
 &rst iat= 1313, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1333, 1332,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 HID HB2  89 VAL HB 5.18 
 &rst iat=  1315, 1346, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    87 HID HB2 4.03 
 &rst iat= 1315, -1, r1= 4.34, r2= 4.84, r3= 4.84, r4= 5.34,
 igr1= 0,  igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    87 HID HB2 5.50 
 &rst iat= 1315, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1354, 1353, 1352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 HID HB3  88 PRO HD2 4.93 
 &rst iat=  1316, 1329, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 PRO 3HG 2HG    87 HID HB3 5.50 
 &rst iat= 1316, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1333, 1332,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  87 HID HB3  89 VAL H 5.50 
 &rst iat=  1316, 1342, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    87 HID HB3 4.07 
 &rst iat= 1316, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    87 HID HB3 5.50 
 &rst iat= 1316, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1354, 1353, 1352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    88 PRO HA 5.29 
 &rst iat= 1338, -1, r1= 5.85, r2= 6.35, r3= 6.35, r4= 6.85,
 igr1= 0,  igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 PRO HA  91 ARG H 4.57 
 &rst iat=  1338, 1374, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  91 ARG 3HD 2HD    88 PRO HA 5.50 
 &rst iat= 1338, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1385, 1384,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 PRO HA  92 SER H 4.84 
 &rst iat=  1338, 1398, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  88 PRO HD2  89 VAL H 5.50 
 &rst iat=  1329, 1342, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    88 PRO HD2 5.50 
 &rst iat= 1329, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 PRO 3HB 2HB    89 VAL 3HG1 2HG1 1HG1  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 1336, 1335,   igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 PRO 3HG 2HG    89 VAL H 4.79 
 &rst iat= -1, 1342, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1333, 1332,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  88 PRO 3HG 2HG    89 VAL 3HG1 2HG1 1HG1  5.50  
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 11.01, r4= 11.51,
 igr1= 1333, 1332,   igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL H  89 VAL HB 3.72 
 &rst iat=  1342, 1346, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    89 VAL H 3.71 
 &rst iat= 1342, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    89 VAL H 4.53 
 &rst iat= 1342, -1, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 0,  igr2= 1354, 1353, 1352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL H  90 VAL H 3.34 
 &rst iat=  1342, 1358, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL 3HG2 2HG2 1HG2    89 VAL H 4.79 
 &rst iat= 1342, -1, r1= 5.25, r2= 5.75, r3= 5.75, r4= 6.25,
 igr1= 0,  igr2= 1370, 1369, 1368,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    89 VAL HA 3.52 
 &rst iat= 1344, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 1350, 1349, 1348,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    89 VAL HA 3.59 
 &rst iat= 1344, -1, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 0,  igr2= 1354, 1353, 1352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL HA  90 VAL HA 4.84 
 &rst iat=  1344, 1360, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL HA  92 SER H 4.27 
 &rst iat=  1344, 1398, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL HA  92 SER HB2 3.65 
 &rst iat=  1344, 1402, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL HA  93 TYR H 5.04 
 &rst iat=  1344, 1409, r1= 4.54, r2= 5.04,
 r3= 5.04, r4= 5.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL HB  90 VAL H 4.08 
 &rst iat=  1346, 1358, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  89 VAL 3HG1 2HG1 1HG1    90 VAL HB 4.95 
 &rst iat= -1, 1362, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 1350, 1349, 1348,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    90 VAL HA 3.89 
 &rst iat= -1, 1360, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 1354, 1353, 1352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    92 SER HB2 4.71 
 &rst iat= -1, 1402, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 1354, 1353, 1352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    92 SER HB3 5.45 
 &rst iat= -1, 1403, r1= 6.05, r2= 6.55, r3= 6.55, r4= 7.05,
 igr1= 1354, 1353, 1352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  89 VAL 3HG2 2HG2 1HG2    93 TYR HB2 5.12 
 &rst iat= -1, 1413, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 1354, 1353, 1352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL H  90 VAL HB 3.34 
 &rst iat=  1358, 1362, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL 3HG1 2HG1 1HG1    90 VAL H 4.15 
 &rst iat= 1358, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1366, 1365, 1364,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL 3HG2 2HG2 1HG2    90 VAL H 3.18 
 &rst iat= 1358, -1, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 0,  igr2= 1370, 1369, 1368,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL H  91 ARG H 3.47 
 &rst iat=  1358, 1374, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL H  92 SER H 5.50 
 &rst iat=  1358, 1398, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL 3HG1 2HG1 1HG1    90 VAL HA 3.39 
 &rst iat= 1360, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 1366, 1365, 1364,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL 3HG2 2HG2 1HG2    90 VAL HA 3.74 
 &rst iat= 1360, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 1370, 1369, 1368,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL HA  92 SER H 5.50 
 &rst iat=  1360, 1398, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HA  93 TYR H 5.34 
 &rst iat=  1360, 1409, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HA  93 TYR HB2 4.71 
 &rst iat=  1360, 1413, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HA  93 TYR HB3 5.47 
 &rst iat=  1360, 1414, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HA  94 VAL H 4.95 
 &rst iat=  1360, 1430, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HA  94 VAL HB 4.78 
 &rst iat=  1360, 1434, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HB  91 ARG H 3.74 
 &rst iat=  1362, 1374, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL HB  91 ARG HA 5.50 
 &rst iat=  1362, 1376, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  90 VAL 3HG1 2HG1 1HG1    91 ARG H 4.57 
 &rst iat= -1, 1374, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 1366, 1365, 1364,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL 3HG1 2HG1 1HG1    91 ARG HA 5.46 
 &rst iat= -1, 1376, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 1366, 1365, 1364,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL 3HG1 2HG1 1HG1    94 VAL HB 3.72 
 &rst iat= -1, 1434, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 1366, 1365, 1364,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL 3HG1 2HG1 1HG1    94 VAL 1HG1 2HG1 3HG1  5.50  
 &rst iat= -1, -1, r1= 7.43, r2= 7.93, r3= 7.93, r4= 8.43,
 igr1= 1366, 1365, 1364,   igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  90 VAL 3HG2 2HG2 1HG2    91 ARG H 4.56 
 &rst iat= -1, 1374, r1= 4.98, r2= 5.48, r3= 5.48, r4= 5.98,
 igr1= 1370, 1369, 1368,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 ARG 3HB 2HB    91 ARG H 3.62 
 &rst iat= 1374, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 1379, 1378,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 ARG 3HD 2HD    91 ARG HA 4.54 
 &rst iat= 1376, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1385, 1384,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL 1HG1 2HG1 3HG1    91 ARG HA 5.24 
 &rst iat= 1376, -1, r1= 5.79, r2= 6.29, r3= 6.29, r4= 6.79,
 igr1= 0,  igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL 1HG2 2HG2 3HG2    91 ARG HA 4.32 
 &rst iat= 1376, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 1440, 1441, 1442,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 ARG 3HB 2HB    91 ARG 3HD 2HD  4.20  
 &rst iat= -1, -1, r1= 4.21, r2= 4.71, r3= 9.11, r4= 9.61,
 igr1= 1379, 1378,   igr2= 1385, 1384,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 ARG 3HD 2HD    92 SER H 4.93 
 &rst iat= -1, 1398, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 1385, 1384,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 ARG 3HG 2HG    92 SER HA 4.19 
 &rst iat= -1, 1400, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 1382, 1381,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  91 ARG 3HG 2HG    92 SER HB3 4.96 
 &rst iat= -1, 1403, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 1382, 1381,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 SER H  92 SER HB2 3.78 
 &rst iat=  1398, 1402, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 SER H  92 SER HB3 3.68 
 &rst iat=  1398, 1403, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 SER H  93 TYR H 5.50 
 &rst iat=  1398, 1409, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 SER H  94 VAL H 5.19 
 &rst iat=  1398, 1430, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 GLU 2HG 3HG    92 SER HA 5.50 
 &rst iat= 1400, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  92 SER HB2  93 TYR HB2 4.64 
 &rst iat=  1402, 1413, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  92 SER HB3  93 TYR H 4.43 
 &rst iat=  1403, 1409, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 TYR H  94 VAL H 5.27 
 &rst iat=  1409, 1430, r1= 4.77, r2= 5.27,
 r3= 5.27, r4= 5.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 TYR HA  95 LYS H 4.66 
 &rst iat=  1411, 1446, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 TYR HA  96 GLU H 4.52 
 &rst iat=  1411, 1468, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  93 TYR HA  96 GLU HB3 4.15 
 &rst iat=  1411, 1473, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 GLU 2HG 3HG    93 TYR HA 4.55 
 &rst iat= 1411, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 0,  igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    93 TYR HA 5.50 
 &rst iat= 1411, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1495, 1494, 1493,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 TYR HB2  94 VAL H 4.73 
 &rst iat=  1413, 1430, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL 1HG1 2HG1 3HG1    93 TYR HB2 5.50 
 &rst iat= 1413, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  93 TYR HB3  94 VAL H 4.77 
 &rst iat=  1414, 1430, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL H  94 VAL HB 3.28 
 &rst iat=  1430, 1434, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL 1HG1 2HG1 3HG1    94 VAL H 4.89 
 &rst iat= 1430, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL 1HG2 2HG2 3HG2    94 VAL H 3.83 
 &rst iat= 1430, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 1440, 1441, 1442,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL H  95 LYS H 5.50 
 &rst iat=  1430, 1446, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL H  96 GLU H 5.50 
 &rst iat=  1430, 1468, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL 1HG1 2HG1 3HG1    94 VAL HA 4.22 
 &rst iat= 1432, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 1436, 1437, 1438,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL HA  97 VAL H 4.85 
 &rst iat=  1432, 1483, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL HA  97 VAL HB 4.15 
 &rst iat=  1432, 1487, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    94 VAL HA 4.06 
 &rst iat= 1432, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 1495, 1494, 1493,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL HB  95 LYS H 4.58 
 &rst iat=  1434, 1446, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  94 VAL 1HG1 2HG1 3HG1    95 LYS 3HB 2HB  5.38  
 &rst iat= -1, -1, r1= 6.75, r2= 7.25, r3= 7.25, r4= 7.75,
 igr1= 1436, 1437, 1438,   igr2= 1451, 1450,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL 1HG2 2HG2 3HG2    95 LYS H 4.20 
 &rst iat= -1, 1446, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 1440, 1441, 1442,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  94 VAL 1HG2 2HG2 3HG2    95 LYS HA 5.20 
 &rst iat= -1, 1448, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 1440, 1441, 1442,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 LYS 3HB 2HB    95 LYS H 3.99 
 &rst iat= 1446, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 1451, 1450,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  95 LYS H  96 GLU H 3.49 
 &rst iat=  1446, 1468, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LYS H  97 VAL H 5.17 
 &rst iat=  1446, 1483, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LYS HA  100 TRP HA 5.36 
 &rst iat=  1448, 1527, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  95 LYS 3HB 2HB    96 GLU 2HG 3HG  4.62  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 9.59, r4= 10.09,
 igr1= 1451, 1450,   igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 GLU H  96 GLU HB3 3.54 
 &rst iat=  1468, 1473, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 GLU 2HG 3HG    96 GLU H 4.04 
 &rst iat= 1468, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 GLU H  97 VAL H 3.19 
 &rst iat=  1468, 1483, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    96 GLU H 4.93 
 &rst iat= 1468, -1, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 0,  igr2= 1495, 1494, 1493,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 GLU H  98 SER H 5.50 
 &rst iat=  1468, 1499, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 GLU 2HG 3HG    96 GLU HA 3.94 
 &rst iat= 1470, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 GLU 2HG 3HG    96 GLU HB3 2.81 
 &rst iat= 1473, -1, r1= 2.65, r2= 3.15, r3= 3.15, r4= 3.65,
 igr1= 0,  igr2= 1475, 1476,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  96 GLU HB3  97 VAL H 3.62 
 &rst iat=  1473, 1483, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  96 GLU HB3  97 VAL HA 4.28 
 &rst iat=  1473, 1485, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    96 GLU HB3 5.03 
 &rst iat= 1473, -1, r1= 5.54, r2= 6.04, r3= 6.04, r4= 6.54,
 igr1= 0,  igr2= 1495, 1494, 1493,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL H  97 VAL HB 3.22 
 &rst iat=  1483, 1487, r1= 2.72, r2= 3.22,
 r3= 3.22, r4= 3.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL 3HG1 2HG1 1HG1    97 VAL H 4.30 
 &rst iat= 1483, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 1491, 1490, 1489,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    97 VAL H 3.29 
 &rst iat= 1483, -1, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 0,  igr2= 1495, 1494, 1493,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL H  98 SER H 4.24 
 &rst iat=  1483, 1499, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL HA  98 SER HA 4.55 
 &rst iat=  1485, 1501, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL HB  98 SER H 4.10 
 &rst iat=  1487, 1499, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  97 VAL 3HG1 2HG1 1HG1    98 SER H 4.64 
 &rst iat= -1, 1499, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 1491, 1490, 1489,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL 3HG1 2HG1 1HG1    107 PHE HE1 HE2  5.03  
 &rst iat= -1, -1, r1= 6.28, r2= 6.78, r3= 6.78, r4= 7.28,
 igr1= 1491, 1490, 1489,   igr2= 1656, 1660,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    98 SER H 4.91 
 &rst iat= -1, 1499, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 1495, 1494, 1493,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  97 VAL 3HG2 2HG2 1HG2    107 PHE HE1 HE2  5.50  
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 1495, 1494, 1493,   igr2= 1656, 1660,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  98 SER HA  99 GLU HA 5.17 
 &rst iat=  1501, 1512, r1= 4.67, r2= 5.17,
 r3= 5.17, r4= 5.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  98 SER 3HB 2HB    99 GLU H 5.04 
 &rst iat= -1, 1510, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 1504, 1503,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  99 GLU HA  100 TRP HA 5.20 
 &rst iat=  1512, 1527, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  100 TRP H  100 TRP HD1 5.19 
 &rst iat=  1525, 1533, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  103 ILE HB  104 PRO HA 5.19 
 &rst iat=  1581, 1606, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 PRO HA  105 GLN H 3.43 
 &rst iat=  1606, 1610, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 PRO HA  105 GLN HA 5.26 
 &rst iat=  1606, 1612, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  104 PRO 2HG 3HG    105 GLN 3HG 2HG  5.46  
 &rst iat= -1, -1, r1= 5.63, r2= 6.13, r3= 10.53, r4= 11.03,
 igr1= 1600, 1601,   igr2= 1618, 1617,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLN H  106 LEU H 4.90 
 &rst iat=  1610, 1627, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLN 3HG 2HG    105 GLN HA 3.95 
 &rst iat= 1612, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 1618, 1617,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLN HA  106 LEU H 3.46 
 &rst iat=  1612, 1627, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLN HA  106 LEU HB2 4.86 
 &rst iat=  1612, 1631, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLN HA  106 LEU HB3 5.50 
 &rst iat=  1612, 1632, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  105 GLN HA  115 GLY HA2 4.13 
 &rst iat=  1612, 1777, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    105 GLN HA 5.50 
 &rst iat= 1612, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLN 3HB 2HB    106 LEU H 5.50 
 &rst iat= -1, 1627, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1615, 1614,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLN 3HG 2HG    106 LEU H 5.50 
 &rst iat= -1, 1627, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1618, 1617,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  105 GLN 3HG 2HG    106 LEU HB2 5.20 
 &rst iat= -1, 1631, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 1618, 1617,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU H  106 LEU HB2 3.56 
 &rst iat=  1627, 1631, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU H  106 LEU HG 5.33 
 &rst iat=  1627, 1634, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    106 LEU H 4.71 
 &rst iat= 1627, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU H  107 PHE H 5.50 
 &rst iat=  1627, 1646, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU H  115 GLY HA2 3.68 
 &rst iat=  1627, 1777, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU H  115 GLY HA3 5.50 
 &rst iat=  1627, 1778, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU H  116 LEU H 5.25 
 &rst iat=  1627, 1782, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    106 LEU H 4.65 
 &rst iat= 1627, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    106 LEU HA 4.73 
 &rst iat= 1629, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    106 LEU HA 3.60 
 &rst iat= 1629, -1, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 0,  igr2= 1640, 1641, 1642,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU HA  107 PHE H 3.28 
 &rst iat=  1629, 1646, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU HA  107 PHE HB2 5.34 
 &rst iat=  1629, 1650, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU HA  107 PHE HB3 5.50 
 &rst iat=  1629, 1651, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    106 LEU HA 5.47 
 &rst iat= 1629, -1, r1= 6.07, r2= 6.57, r3= 6.57, r4= 7.07,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    106 LEU HB2 3.72 
 &rst iat= 1631, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU HB2  119 VAL HA 5.48 
 &rst iat=  1631, 1834, r1= 4.98, r2= 5.48,
 r3= 5.48, r4= 5.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    106 LEU HB2 4.21 
 &rst iat= 1631, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 1840, 1839, 1838,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    106 LEU HB2 3.37 
 &rst iat= 1631, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    106 LEU HB3 4.04 
 &rst iat= 1632, -1, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 0,  igr2= 1636, 1637, 1638,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU HB3  107 PHE H 5.41 
 &rst iat=  1632, 1646, r1= 4.91, r2= 5.41,
 r3= 5.41, r4= 5.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    106 LEU HB3 3.81 
 &rst iat= 1632, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU HG  107 PHE H 3.68 
 &rst iat=  1634, 1646, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    107 PHE H 5.16 
 &rst iat= -1, 1646, r1= 5.70, r2= 6.20, r3= 6.20, r4= 6.70,
 igr1= 1636, 1637, 1638,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    108 ILE HG13 4.50 
 &rst iat= -1, 1677, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 1636, 1637, 1638,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    113 VAL 3HG1 2HG1 1HG1  4.19  
 &rst iat= -1, -1, r1= 5.54, r2= 6.04, r3= 6.04, r4= 6.54,
 igr1= 1636, 1637, 1638,   igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    119 VAL H 5.50 
 &rst iat= -1, 1832, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1636, 1637, 1638,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD1 2HD1 3HD1    119 VAL HA 5.37 
 &rst iat= -1, 1834, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 1636, 1637, 1638,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    107 PHE H 3.60 
 &rst iat= -1, 1646, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 1640, 1641, 1642,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  106 LEU 1HD2 2HD2 3HD2    107 PHE HA 5.50 
 &rst iat= -1, 1648, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1640, 1641, 1642,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 PHE H  108 ILE H 5.18 
 &rst iat=  1646, 1666, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HA  108 ILE H 2.97 
 &rst iat=  1648, 1666, r1= 2.47, r2= 2.97,
 r3= 2.97, r4= 3.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HA  108 ILE HB 4.99 
 &rst iat=  1648, 1670, r1= 4.49, r2= 4.99,
 r3= 4.99, r4= 5.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HA  108 ILE HG13 4.96 
 &rst iat=  1648, 1677, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HA  112 PHE HA 3.94 
 &rst iat=  1648, 1734, r1= 3.44, r2= 3.94,
 r3= 3.94, r4= 4.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HA  113 VAL H 3.62 
 &rst iat=  1648, 1752, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HA  113 VAL HB 5.50 
 &rst iat=  1648, 1756, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    107 PHE HA 5.50 
 &rst iat= 1648, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    107 PHE HA 3.81 
 &rst iat= 1648, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  107 PHE HA  114 GLY H 5.49 
 &rst iat=  1648, 1768, r1= 4.99, r2= 5.49,
 r3= 5.49, r4= 5.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HB2  108 ILE H 5.05 
 &rst iat=  1650, 1666, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HB2  112 PHE HA 5.50 
 &rst iat=  1650, 1734, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HB3  108 ILE H 4.56 
 &rst iat=  1651, 1666, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HB3  110 ALA H 5.19 
 &rst iat=  1651, 1707, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HB3  110 ALA HA 5.18 
 &rst iat=  1651, 1709, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  107 PHE HE1 HE2    113 VAL H 5.50 
 &rst iat= -1, 1752, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1656, 1660,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE H  108 ILE HB 3.58 
 &rst iat=  1666, 1670, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE H  108 ILE HG12 4.85 
 &rst iat=  1666, 1676, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE H  108 ILE HG13 5.24 
 &rst iat=  1666, 1677, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    108 ILE H 4.69 
 &rst iat= 1666, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 1681, 1680, 1679,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE H 4.81 
 &rst iat= 1666, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE H  110 ALA H 5.44 
 &rst iat=  1666, 1707, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE H  110 ALA HA 5.47 
 &rst iat=  1666, 1709, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE H  112 PHE HA 4.84 
 &rst iat=  1666, 1734, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    108 ILE H 5.46 
 &rst iat= 1666, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 0,  igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    108 ILE H 3.26 
 &rst iat= 1666, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HA  108 ILE HG13 4.17 
 &rst iat=  1668, 1677, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    108 ILE HA 4.30 
 &rst iat= 1668, -1, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 0,  igr2= 1681, 1680, 1679,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE HA 3.62 
 &rst iat= 1668, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 1674, 1673, 1672,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HA  109 LYS H 3.16 
 &rst iat=  1668, 1685, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  109 LYS HA 4.49 
 &rst iat=  1668, 1687, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE HA  110 ALA H 5.50 
 &rst iat=  1668, 1707, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    108 ILE HB 3.64 
 &rst iat= 1670, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 1681, 1680, 1679,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HB  109 LYS H 5.13 
 &rst iat=  1670, 1685, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU 2HB 3HB    108 ILE HB 4.67 
 &rst iat= 1670, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 1721, 1722,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    108 ILE HB 4.15 
 &rst iat= 1670, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    108 ILE HB 3.53 
 &rst iat= 1670, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE HG13  113 VAL H 5.28 
 &rst iat=  1677, 1752, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    108 ILE HG13 3.35 
 &rst iat= 1677, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    109 LYS H 5.05 
 &rst iat= -1, 1685, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 1681, 1680, 1679,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    113 VAL 3HG1 2HG1 1HG1  4.61  
 &rst iat= -1, -1, r1= 6.15, r2= 6.65, r3= 6.65, r4= 7.15,
 igr1= 1681, 1680, 1679,   igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    131 MET H 5.50 
 &rst iat= -1, 2028, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1681, 1680, 1679,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HD1 2HD1 1HD1    131 MET 2HB 3HB  5.09  
 &rst iat= -1, -1, r1= 6.36, r2= 6.86, r3= 6.86, r4= 7.36,
 igr1= 1681, 1680, 1679,   igr2= 2032, 2033,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE HG12 3.67 
 &rst iat= -1, 1676, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 1674, 1673, 1672,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    108 ILE HG13 3.78 
 &rst iat= -1, 1677, r1= 4.04, r2= 4.54, r3= 4.54, r4= 5.04,
 igr1= 1674, 1673, 1672,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    109 LYS H 3.67 
 &rst iat= -1, 1685, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 1674, 1673, 1672,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    109 LYS HA 4.61 
 &rst iat= -1, 1687, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 1674, 1673, 1672,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    109 LYS HB2 3.93 
 &rst iat= -1, 1689, r1= 4.22, r2= 4.72, r3= 4.72, r4= 5.22,
 igr1= 1674, 1673, 1672,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  108 ILE 3HG2 2HG2 1HG2    109 LYS HB3 4.48 
 &rst iat= -1, 1690, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 1674, 1673, 1672,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  109 LYS H  110 ALA HA 5.38 
 &rst iat=  1685, 1709, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 LYS HA  110 ALA H 3.54 
 &rst iat=  1687, 1707, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  109 LYS HA  110 ALA HA 4.71 
 &rst iat=  1687, 1709, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    109 LYS HB3 4.62 
 &rst iat= 1690, -1, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 0,  igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    110 ALA H 3.55 
 &rst iat= 1707, -1, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 0,  igr2= 1712, 1713, 1711,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ALA HA  111 GLU HA 4.74 
 &rst iat=  1709, 1719, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    111 GLU H 4.53 
 &rst iat= -1, 1717, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 1712, 1713, 1711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  110 ALA 2HB 3HB 1HB    111 GLU HA 4.71 
 &rst iat= -1, 1719, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 1712, 1713, 1711,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 GLU H  111 GLU HG2 4.67 
 &rst iat=  1717, 1724, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU 2HB 3HB    111 GLU H 3.80 
 &rst iat= 1717, -1, r1= 3.77, r2= 4.27, r3= 4.27, r4= 4.77,
 igr1= 0,  igr2= 1721, 1722,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 GLU HA  111 GLU HG2 4.13 
 &rst iat=  1719, 1724, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU HA  111 GLU HG3 4.06 
 &rst iat=  1719, 1725, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU HA  112 PHE H 2.63 
 &rst iat=  1719, 1732, r1= 2.13, r2= 2.63,
 r3= 2.63, r4= 3.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU HA  112 PHE HA 5.19 
 &rst iat=  1719, 1734, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 PHE 3HB 2HB    111 GLU HA 4.44 
 &rst iat= 1719, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 1737, 1736,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  111 GLU HG2  112 PHE H 5.06 
 &rst iat=  1724, 1732, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU HG3  112 PHE H 4.56 
 &rst iat=  1725, 1732, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  111 GLU 2HB 3HB    112 PHE H 4.57 
 &rst iat= -1, 1732, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 1721, 1722,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 PHE 3HB 2HB    112 PHE H 2.91 
 &rst iat= 1732, -1, r1= 2.77, r2= 3.27, r3= 3.27, r4= 3.77,
 igr1= 0,  igr2= 1737, 1736,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 PHE HA  113 VAL H 3.37 
 &rst iat=  1734, 1752, r1= 2.87, r2= 3.37,
 r3= 3.37, r4= 3.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 PHE HA  113 VAL HA 5.00 
 &rst iat=  1734, 1754, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 PHE HA  113 VAL HB 4.69 
 &rst iat=  1734, 1756, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    112 PHE HA 5.50 
 &rst iat= 1734, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    112 PHE HA 3.92 
 &rst iat= 1734, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 PHE HA  114 GLY H 4.63 
 &rst iat=  1734, 1768, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  112 PHE 3HB 2HB    113 VAL H 4.93 
 &rst iat= -1, 1752, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 1737, 1736,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 PHE 3HB 2HB    113 VAL HB 5.50 
 &rst iat= -1, 1756, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1737, 1736,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  112 PHE HD1 HD2    114 GLY HA2 4.94 
 &rst iat= -1, 1770, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 1740, 1748,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL H  113 VAL HB 3.58 
 &rst iat=  1752, 1756, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    113 VAL H 4.26 
 &rst iat= 1752, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 0,  igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    113 VAL H 3.53 
 &rst iat= 1752, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL H  114 GLY H 3.19 
 &rst iat=  1752, 1768, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL H  114 GLY HA2 5.47 
 &rst iat=  1752, 1770, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    113 VAL HA 3.44 
 &rst iat= 1754, -1, r1= 3.63, r2= 4.13, r3= 4.13, r4= 4.63,
 igr1= 0,  igr2= 1760, 1759, 1758,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    113 VAL HA 3.23 
 &rst iat= 1754, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 1764, 1763, 1762,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL HB  114 GLY H 3.47 
 &rst iat=  1756, 1768, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    114 GLY H 4.28 
 &rst iat= -1, 1768, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 1760, 1759, 1758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    114 GLY HA2 5.50 
 &rst iat= -1, 1770, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1760, 1759, 1758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG1 2HG1 1HG1    114 GLY HA3 5.50 
 &rst iat= -1, 1771, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1760, 1759, 1758,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  113 VAL 3HG2 2HG2 1HG2    114 GLY H 4.35 
 &rst iat= -1, 1768, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 1764, 1763, 1762,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    114 GLY H 4.96 
 &rst iat= 1768, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  114 GLY HA2  115 GLY HA3 5.29 
 &rst iat=  1770, 1778, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 GLY HA2  118 ILE HB 4.34 
 &rst iat=  1770, 1817, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 GLY HA2  118 ILE HG13 5.26 
 &rst iat=  1770, 1824, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    114 GLY HA2 4.67 
 &rst iat= 1770, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 0,  igr2= 1827, 1826, 1828,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    114 GLY HA2 5.50 
 &rst iat= 1770, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  114 GLY HA3  118 ILE H 5.50 
 &rst iat=  1771, 1813, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 GLY HA3  118 ILE HB 4.02 
 &rst iat=  1771, 1817, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  114 GLY HA3  118 ILE HG13 5.31 
 &rst iat=  1771, 1824, r1= 4.81, r2= 5.31,
 r3= 5.31, r4= 5.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    114 GLY HA3 4.69 
 &rst iat= 1771, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 1827, 1826, 1828,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    114 GLY HA3 5.38 
 &rst iat= 1771, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 GLY H  118 ILE H 5.34 
 &rst iat=  1775, 1813, r1= 4.84, r2= 5.34,
 r3= 5.34, r4= 5.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 GLY H  118 ILE HB 4.36 
 &rst iat=  1775, 1817, r1= 3.86, r2= 4.36,
 r3= 4.36, r4= 4.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 GLY H  118 ILE HG12 5.15 
 &rst iat=  1775, 1823, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    115 GLY H 4.25 
 &rst iat= 1775, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1827, 1826, 1828,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    115 GLY H 5.40 
 &rst iat= 1775, -1, r1= 5.99, r2= 6.49, r3= 6.49, r4= 6.99,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 GLY HA2  116 LEU H 2.92 
 &rst iat=  1777, 1782, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 GLY HA2  118 ILE HB 5.46 
 &rst iat=  1777, 1817, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 GLY HA2  118 ILE HG12 4.37 
 &rst iat=  1777, 1823, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    115 GLY HA2 5.26 
 &rst iat= 1777, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  115 GLY HA3  118 ILE HB 5.50 
 &rst iat=  1778, 1817, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  115 GLY HA3  118 ILE HG12 5.50 
 &rst iat=  1778, 1823, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 LEU H  118 ILE H 5.09 
 &rst iat=  1782, 1813, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  116 LEU H  119 VAL H 5.42 
 &rst iat=  1782, 1832, r1= 4.92, r2= 5.42,
 r3= 5.42, r4= 5.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    116 LEU HA 4.89 
 &rst iat= 1784, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 1840, 1839, 1838,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    116 LEU HA 5.50 
 &rst iat= 1784, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE H  118 ILE HB 3.01 
 &rst iat=  1813, 1817, r1= 2.51, r2= 3.01,
 r3= 3.01, r4= 3.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE H  118 ILE HG12 4.11 
 &rst iat=  1813, 1823, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE H  118 ILE HG13 4.01 
 &rst iat=  1813, 1824, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    118 ILE H 4.97 
 &rst iat= 1813, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 0,  igr2= 1827, 1826, 1828,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE HA  118 ILE HG12 3.87 
 &rst iat=  1815, 1823, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    118 ILE HA 3.63 
 &rst iat= 1815, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 1827, 1826, 1828,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HB 2HB    118 ILE HA 3.73 
 &rst iat= 1815, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 1867, 1866,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HD 2HD    118 ILE HA 4.96 
 &rst iat= 1815, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 1873, 1872,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HE 2HE    118 ILE HA 5.42 
 &rst iat= 1815, -1, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 0,  igr2= 1876, 1875,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    118 ILE HA 3.69 
 &rst iat= 1815, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 1870, 1869,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    118 ILE HB 3.50 
 &rst iat= 1817, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 1827, 1826, 1828,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE HB  119 VAL HA 5.50 
 &rst iat=  1817, 1834, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  118 ILE HB  119 VAL HB 5.15 
 &rst iat=  1817, 1836, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    118 ILE HB 4.27 
 &rst iat= 1817, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    121 LYS 3HB 2HB  5.06  
 &rst iat= -1, -1, r1= 6.32, r2= 6.82, r3= 6.82, r4= 7.32,
 igr1= 1827, 1826, 1828,   igr2= 1867, 1866,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    121 LYS 3HD 2HD  4.32  
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 9.59, r4= 10.09,
 igr1= 1827, 1826, 1828,   igr2= 1873, 1872,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  118 ILE 2HD1 1HD1 3HD1    121 LYS 3HE 2HE  4.71  
 &rst iat= -1, -1, r1= 5.85, r2= 6.35, r3= 6.35, r4= 6.85,
 igr1= 1827, 1826, 1828,   igr2= 1876, 1875,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL H  119 VAL HB 3.05 
 &rst iat=  1832, 1836, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    119 VAL H 4.13 
 &rst iat= 1832, -1, r1= 4.46, r2= 4.96, r3= 4.96, r4= 5.46,
 igr1= 0,  igr2= 1840, 1839, 1838,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    119 VAL H 3.32 
 &rst iat= 1832, -1, r1= 3.49, r2= 3.99, r3= 3.99, r4= 4.49,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL H  120 THR H 3.35 
 &rst iat=  1832, 1848, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL H  121 LYS H 5.50 
 &rst iat=  1832, 1862, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    119 VAL HA 3.42 
 &rst iat= 1834, -1, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 0,  igr2= 1840, 1839, 1838,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    119 VAL HA 3.35 
 &rst iat= 1834, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 1844, 1843, 1842,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL HA  120 THR HA 4.87 
 &rst iat=  1834, 1850, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL HA  121 LYS H 5.08 
 &rst iat=  1834, 1862, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL HA  122 MET H 4.26 
 &rst iat=  1834, 1884, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL HA  122 MET HB2 4.02 
 &rst iat=  1834, 1888, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL HA  122 MET HB3 4.76 
 &rst iat=  1834, 1889, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL HB  120 THR H 4.17 
 &rst iat=  1836, 1848, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    120 THR H 4.55 
 &rst iat= -1, 1848, r1= 4.96, r2= 5.46, r3= 5.46, r4= 5.96,
 igr1= 1840, 1839, 1838,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    120 THR HA 4.33 
 &rst iat= -1, 1850, r1= 4.70, r2= 5.20, r3= 5.20, r4= 5.70,
 igr1= 1840, 1839, 1838,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG1 2HG1 1HG1    122 MET H 5.50 
 &rst iat= -1, 1884, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1840, 1839, 1838,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  119 VAL 3HG2 2HG2 1HG2    120 THR H 4.51 
 &rst iat= -1, 1848, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 1844, 1843, 1842,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR H  120 THR HB 3.92 
 &rst iat=  1848, 1852, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  120 THR H  121 LYS H 3.25 
 &rst iat=  1848, 1862, r1= 2.75, r2= 3.25,
 r3= 3.25, r4= 3.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  120 THR 2HG2 1HG2 3HG2    120 THR HA 3.34 
 &rst iat= 1850, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 1855, 1854, 1856,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR HA  122 MET H 4.97 
 &rst iat=  1850, 1884, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU 3HB 2HB    120 THR HA 3.59 
 &rst iat= 1850, -1, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 0,  igr2= 1906, 1905,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 2HD1 3HD1 1HD1    120 THR HA 3.98 
 &rst iat= 1850, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR HB  121 LYS H 4.13 
 &rst iat=  1852, 1862, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LYS 3HB 2HB    120 THR HB 4.97 
 &rst iat= 1852, -1, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 0,  igr2= 1867, 1866,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR 2HG2 1HG2 3HG2    121 LYS H 4.04 
 &rst iat= -1, 1862, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 1855, 1854, 1856,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR 2HG2 1HG2 3HG2    121 LYS HA 5.48 
 &rst iat= -1, 1864, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 1855, 1854, 1856,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR 2HG2 1HG2 3HG2    123 LEU 2HD1 3HD1 1HD1  4.34  
 &rst iat= -1, -1, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 1855, 1854, 1856,   igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  120 THR 2HG2 1HG2 3HG2    124 GLU HG2 4.99 
 &rst iat= -1, 1927, r1= 5.49, r2= 5.99, r3= 5.99, r4= 6.49,
 igr1= 1855, 1854, 1856,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HB 2HB    121 LYS H 2.75 
 &rst iat= 1862, -1, r1= 2.59, r2= 3.09, r3= 3.09, r4= 3.59,
 igr1= 0,  igr2= 1867, 1866,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    121 LYS H 4.32 
 &rst iat= 1862, -1, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 0,  igr2= 1870, 1869,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS H  122 MET H 3.24 
 &rst iat=  1862, 1884, r1= 2.74, r2= 3.24,
 r3= 3.24, r4= 3.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  121 LYS 3HG 2HG    121 LYS HA 3.81 
 &rst iat= 1864, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 1870, 1869,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HB 2HB    121 LYS 3HE 2HE  4.65  
 &rst iat= -1, -1, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 1867, 1866,   igr2= 1876, 1875,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HB 2HB    122 MET H 3.40 
 &rst iat= -1, 1884, r1= 3.32, r2= 3.82, r3= 3.82, r4= 4.32,
 igr1= 1867, 1866,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HD 2HD    122 MET H 4.85 
 &rst iat= -1, 1884, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 1873, 1872,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HE 2HE    122 MET H 5.50 
 &rst iat= -1, 1884, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1876, 1875,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    121 LYS 3HD 2HD  2.77  
 &rst iat= -1, -1, r1= 2.61, r2= 3.11, r3= 7.51, r4= 8.01,
 igr1= 1870, 1869,   igr2= 1873, 1872,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    121 LYS 3HE 2HE  3.66  
 &rst iat= -1, -1, r1= 3.61, r2= 4.11, r3= 8.51, r4= 9.01,
 igr1= 1870, 1869,   igr2= 1876, 1875,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    122 MET H 5.16 
 &rst iat= -1, 1884, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 1870, 1869,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    122 MET HA 5.50 
 &rst iat= -1, 1886, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1870, 1869,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  121 LYS 3HG 2HG    122 MET HB2 5.50 
 &rst iat= -1, 1888, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1870, 1869,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 MET H  123 LEU H 3.04 
 &rst iat=  1884, 1901, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET H  123 LEU HA 5.50 
 &rst iat=  1884, 1903, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET H  128 LEU H 5.50 
 &rst iat=  1884, 1965, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU 3HB 2HB    122 MET HA 5.50 
 &rst iat= 1886, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1906, 1905,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 MET HA  127 ASP H 4.63 
 &rst iat=  1886, 1953, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HA  127 ASP HB2 4.49 
 &rst iat=  1886, 1957, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HA  128 LEU H 4.20 
 &rst iat=  1886, 1965, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HB2  123 LEU H 4.87 
 &rst iat=  1888, 1901, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HB2  128 LEU H 5.03 
 &rst iat=  1888, 1965, r1= 4.53, r2= 5.03,
 r3= 5.03, r4= 5.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HB2  128 LEU HB2 4.60 
 &rst iat=  1888, 1969, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HB2  128 LEU HB3 5.11 
 &rst iat=  1888, 1970, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    122 MET HB2 5.42 
 &rst iat= 1888, -1, r1= 6.01, r2= 6.51, r3= 6.51, r4= 7.01,
 igr1= 0,  igr2= 1978, 1979, 1980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  122 MET HB3  123 LEU H 5.50 
 &rst iat=  1889, 1901, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HB3  128 LEU H 4.53 
 &rst iat=  1889, 1965, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  122 MET HB3  128 LEU HB2 4.43 
 &rst iat=  1889, 1969, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    122 MET HB3 4.52 
 &rst iat= 1889, -1, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 0,  igr2= 1978, 1979, 1980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 3HB 2HB    123 LEU H 3.32 
 &rst iat= 1901, -1, r1= 3.23, r2= 3.73, r3= 3.73, r4= 4.23,
 igr1= 0,  igr2= 1906, 1905,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 2HD1 3HD1 1HD1    123 LEU H 4.63 
 &rst iat= 1901, -1, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 0,  igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU H  124 GLU H 3.15 
 &rst iat=  1901, 1920, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU H  124 GLU HG2 5.09 
 &rst iat=  1901, 1927, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU 2HB 3HB    123 LEU H 5.13 
 &rst iat= 1901, -1, r1= 5.26, r2= 5.76, r3= 5.76, r4= 6.26,
 igr1= 0,  igr2= 1924, 1925,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU H  127 ASP H 5.50 
 &rst iat=  1901, 1953, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU 1HD2 2HD2 3HD2    123 LEU HA 3.21 
 &rst iat= 1903, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 1914, 1915, 1916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU HA  124 GLU HA 4.84 
 &rst iat=  1903, 1922, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU HA  128 LEU H 3.92 
 &rst iat=  1903, 1965, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU HA  128 LEU HB2 4.08 
 &rst iat=  1903, 1969, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU HA  128 LEU HB3 3.65 
 &rst iat=  1903, 1970, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU HA  129 LYS H 5.07 
 &rst iat=  1903, 1984, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  123 LEU 3HB 2HB    123 LEU 2HD1 3HD1 1HD1  3.70  
 &rst iat= -1, -1, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 1906, 1905,   igr2= 1911, 1912, 1910,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 3HB 2HB    124 GLU H 3.98 
 &rst iat= -1, 1920, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 1906, 1905,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 2HD1 3HD1 1HD1    124 GLU HA 4.65 
 &rst iat= -1, 1922, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 1911, 1912, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 2HD1 3HD1 1HD1    124 GLU HG2 5.21 
 &rst iat= -1, 1927, r1= 5.76, r2= 6.26, r3= 6.26, r4= 6.76,
 igr1= 1911, 1912, 1910,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 1HD2 2HD2 3HD2    128 LEU HB2 5.26 
 &rst iat= -1, 1969, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 1914, 1915, 1916,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  123 LEU 1HD2 2HD2 3HD2    128 LEU HB3 5.37 
 &rst iat= -1, 1970, r1= 5.95, r2= 6.45, r3= 6.45, r4= 6.95,
 igr1= 1914, 1915, 1916,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 GLU H  124 GLU HG2 3.81 
 &rst iat=  1920, 1927, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU H  124 GLU HG3 4.16 
 &rst iat=  1920, 1928, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU 2HB 3HB    124 GLU H 2.91 
 &rst iat= 1920, -1, r1= 2.77, r2= 3.27, r3= 3.27, r4= 3.77,
 igr1= 0,  igr2= 1924, 1925,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 GLU H  125 SER HA 5.36 
 &rst iat=  1920, 1937, r1= 4.86, r2= 5.36,
 r3= 5.36, r4= 5.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU H  125 SER HB2 5.45 
 &rst iat=  1920, 1939, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU HA  124 GLU HG2 4.00 
 &rst iat=  1922, 1927, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU 2HB 3HB    124 GLU HA 2.98 
 &rst iat= 1922, -1, r1= 2.84, r2= 3.34, r3= 3.34, r4= 3.84,
 igr1= 0,  igr2= 1924, 1925,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 GLU HA  126 GLY H 5.29 
 &rst iat=  1922, 1946, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU HG2  125 SER H 5.50 
 &rst iat=  1927, 1935, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  124 GLU 2HB 3HB    125 SER H 3.17 
 &rst iat= -1, 1935, r1= 3.06, r2= 3.56, r3= 3.56, r4= 4.06,
 igr1= 1924, 1925,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  124 GLU 2HB 3HB    125 SER HB2 5.50 
 &rst iat= -1, 1939, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1924, 1925,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  125 SER H  125 SER HB2 3.73 
 &rst iat=  1935, 1939, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER H  125 SER HB3 3.95 
 &rst iat=  1935, 1940, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER H  126 GLY H 3.16 
 &rst iat=  1935, 1946, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER HB2  126 GLY H 4.70 
 &rst iat=  1939, 1946, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  125 SER HB3  126 GLY H 5.50 
 &rst iat=  1940, 1946, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 GLY H  126 GLY HA2 2.90 
 &rst iat=  1946, 1948, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 GLY H  127 ASP H 2.66 
 &rst iat=  1946, 1953, r1= 2.16, r2= 2.66,
 r3= 2.66, r4= 3.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 GLY H  127 ASP HB2 5.50 
 &rst iat=  1946, 1957, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 GLY HA2  128 LEU H 4.70 
 &rst iat=  1948, 1965, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS 2HB 3HB    126 GLY HA2 4.67 
 &rst iat= 1948, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 1988, 1989,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 3HE 2HE    126 GLY HA2 5.50 
 &rst iat= 1948, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1998, 1997,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  126 GLY HA3  127 ASP HA 4.92 
 &rst iat=  1949, 1955, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  126 GLY HA3  128 LEU H 4.88 
 &rst iat=  1949, 1965, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 ASP H  127 ASP HB2 3.33 
 &rst iat=  1953, 1957, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 ASP H  128 LEU H 3.16 
 &rst iat=  1953, 1965, r1= 2.66, r2= 3.16,
 r3= 3.16, r4= 3.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  127 ASP HB2  128 LEU H 4.82 
 &rst iat=  1957, 1965, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU H  128 LEU HB2 4.07 
 &rst iat=  1965, 1969, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU H  128 LEU HB3 3.09 
 &rst iat=  1965, 1970, r1= 2.59, r2= 3.09,
 r3= 3.09, r4= 3.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    128 LEU H 4.24 
 &rst iat= 1965, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 0,  igr2= 1978, 1979, 1980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 LEU H  129 LYS H 3.30 
 &rst iat=  1965, 1984, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    128 LEU HA 3.19 
 &rst iat= 1967, -1, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 0,  igr2= 1978, 1979, 1980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 LEU HA  130 LYS H 5.07 
 &rst iat=  1967, 2006, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 MET 2HE 3HE 1HE    128 LEU HA 3.63 
 &rst iat= 1967, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 0,  igr2= 2040, 2041, 2039,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    128 LEU HB2 3.45 
 &rst iat= 1969, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 1978, 1979, 1980,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 LEU HB2  129 LYS H 4.59 
 &rst iat=  1969, 1984, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU HB3  129 LYS H 4.48 
 &rst iat=  1970, 1984, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    129 LYS H 4.86 
 &rst iat= -1, 1984, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 1978, 1979, 1980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    131 MET 2HE 3HE 1HE  3.67  
 &rst iat= -1, -1, r1= 4.79, r2= 5.29, r3= 5.29, r4= 5.79,
 igr1= 1978, 1979, 1980,   igr2= 2040, 2041, 2039,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  128 LEU 1HD2 2HD2 3HD2    132 LEU H 5.25 
 &rst iat= -1, 2045, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 1978, 1979, 1980,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS H  129 LYS HG2 4.47 
 &rst iat=  1984, 1991, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS H  129 LYS HG3 4.66 
 &rst iat=  1984, 1992, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS 2HB 3HB    129 LYS H 2.71 
 &rst iat= 1984, -1, r1= 2.54, r2= 3.04, r3= 3.04, r4= 3.54,
 igr1= 0,  igr2= 1988, 1989,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS H  130 LYS H 3.15 
 &rst iat=  1984, 2006, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS H  131 MET H 5.45 
 &rst iat=  1984, 2028, r1= 4.95, r2= 5.45,
 r3= 5.45, r4= 5.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS H  132 LEU H 5.15 
 &rst iat=  1984, 2045, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU 3HB 2HB    129 LYS H 5.50 
 &rst iat= 1984, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 2050, 2049,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS HA  131 MET H 4.33 
 &rst iat=  1986, 2028, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS HA  132 LEU H 4.83 
 &rst iat=  1986, 2045, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS HA  132 LEU HG 3.77 
 &rst iat=  1986, 2052, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU 3HB 2HB    129 LYS HA 4.55 
 &rst iat= 1986, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 0,  igr2= 2050, 2049,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS HA  132 LEU CG 3.65 
 &rst iat=  1986, 2051, r1= 3.15, r2= 3.65,
 r3= 8.05, r4= 8.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS HA  133 ARG H 4.47 
 &rst iat=  1986, 2064, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS HD3  130 LYS H 4.93 
 &rst iat=  1995, 2006, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 ARG 2HB 3HB    129 LYS HD3 3.48 
 &rst iat= 1995, -1, r1= 3.41, r2= 3.91, r3= 3.91, r4= 4.41,
 igr1= 0,  igr2= 2068, 2069,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 3HE 2HE    129 LYS HG2 3.07 
 &rst iat= 1991, -1, r1= 2.95, r2= 3.45, r3= 3.45, r4= 3.95,
 igr1= 0,  igr2= 1998, 1997,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS HG3  132 LEU CG 5.50 
 &rst iat=  1992, 2051, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  129 LYS 2HB 3HB    130 LYS H 3.90 
 &rst iat= -1, 2006, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 1988, 1989,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 2HB 3HB    132 LEU CG 4.70 
 &rst iat= -1, 2051, r1= 4.78, r2= 5.28, r3= 9.68, r4= 10.18,
 igr1= 1988, 1989,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 3HE 2HE    130 LYS H 5.50 
 &rst iat= -1, 2006, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 1998, 1997,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 3HE 2HE    132 LEU CG 4.61 
 &rst iat= -1, 2051, r1= 4.67, r2= 5.17, r3= 9.57, r4= 10.07,
 igr1= 1998, 1997,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 3HE 2HE    133 ARG 2HD 3HD  5.03  
 &rst iat= -1, -1, r1= 5.15, r2= 5.65, r3= 10.05, r4= 10.55,
 igr1= 1998, 1997,   igr2= 2074, 2075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  129 LYS 3HE 2HE    133 ARG 2HG 3HG  5.50  
 &rst iat= -1, -1, r1= 5.67, r2= 6.17, r3= 10.57, r4= 11.07,
 igr1= 1998, 1997,   igr2= 2071, 2072,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS H  131 MET H 2.99 
 &rst iat=  2006, 2028, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS H  132 LEU H 5.33 
 &rst iat=  2006, 2045, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 3HG 2HG    130 LYS HA 3.87 
 &rst iat= 2008, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 2014, 2013,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  130 LYS HA  132 LEU CG 5.50 
 &rst iat=  2008, 2051, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  130 LYS 3HB 2HB    131 MET 2HB 3HB  5.26  
 &rst iat= -1, -1, r1= 6.13, r2= 6.63, r3= 6.63, r4= 7.13,
 igr1= 2011, 2010,   igr2= 2032, 2033,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET 2HB 3HB    131 MET H 2.86 
 &rst iat= 2028, -1, r1= 2.71, r2= 3.21, r3= 3.21, r4= 3.71,
 igr1= 0,  igr2= 2032, 2033,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET 2HE 3HE 1HE    131 MET H 3.22 
 &rst iat= 2028, -1, r1= 3.37, r2= 3.87, r3= 3.87, r4= 4.37,
 igr1= 0,  igr2= 2040, 2041, 2039,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET 2HG 3HG    131 MET H 3.12 
 &rst iat= 2028, -1, r1= 3.00, r2= 3.50, r3= 3.50, r4= 4.00,
 igr1= 0,  igr2= 2035, 2036,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET H  132 LEU H 5.50 
 &rst iat=  2028, 2045, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 MET 2HB 3HB    131 MET HA 2.87 
 &rst iat= 2030, -1, r1= 2.72, r2= 3.22, r3= 3.22, r4= 3.72,
 igr1= 0,  igr2= 2032, 2033,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET HA  134 ASP HB2 3.78 
 &rst iat=  2030, 2092, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 MET HA  134 ASP HB3 3.50 
 &rst iat=  2030, 2093, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  131 MET 2HB 3HB    132 LEU H 4.78 
 &rst iat= -1, 2045, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 2032, 2033,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET 2HB 3HB    132 LEU HG 5.33 
 &rst iat= -1, 2052, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 2032, 2033,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  131 MET 2HB 3HB    134 ASP HB3 4.94 
 &rst iat= -1, 2093, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 2032, 2033,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 LEU 3HB 2HB    132 LEU H 4.17 
 &rst iat= 2045, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 2050, 2049,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 LEU H  132 LEU CG 3.37 
 &rst iat=  2045, 2051, r1= 2.87, r2= 3.37,
 r3= 7.77, r4= 8.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU H  134 ASP H 5.50 
 &rst iat=  2045, 2088, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU HA  132 LEU HG 3.83 
 &rst iat=  2047, 2052, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU HA  133 ARG HA 4.92 
 &rst iat=  2047, 2066, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU HA  137 ILE HB 4.61 
 &rst iat=  2047, 2133, r1= 4.11, r2= 4.61,
 r3= 4.61, r4= 5.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    132 LEU HA 3.30 
 &rst iat= 2047, -1, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 LEU HG  133 ARG HA 4.26 
 &rst iat=  2052, 2066, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 ARG 2HB 3HB    132 LEU HG 5.09 
 &rst iat= 2052, -1, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 0,  igr2= 2068, 2069,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 LEU HG  139 CYS HB3 4.57 
 &rst iat=  2052, 2167, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU 3HB 2HB    132 LEU CG 3.95 
 &rst iat= -1, 2051, r1= 3.93, r2= 4.43, r3= 8.83, r4= 9.33,
 igr1= 2050, 2049,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 LEU 3HB 2HB    137 ILE HB 5.24 
 &rst iat= -1, 2133, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 2050, 2049,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    132 LEU CG 5.12 
 &rst iat= 2051, -1, r1= 5.25, r2= 5.75, r3= 10.15, r4= 10.65,
 igr1= 0,  igr2= 2074, 2075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    132 LEU CG 4.61 
 &rst iat= 2051, -1, r1= 4.67, r2= 5.17, r3= 9.57, r4= 10.07,
 igr1= 0,  igr2= 2071, 2072,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  138 THR 1HG2 2HG2 3HG2    132 LEU CG 5.27 
 &rst iat= 2051, -1, r1= 5.83, r2= 6.33, r3= 10.73, r4= 11.23,
 igr1= 0,  igr2= 2154, 2155, 2156,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  132 LEU CG  139 CYS HB2 3.91 
 &rst iat=  2051, 2166, r1= 3.41, r2= 3.91,
 r3= 8.31, r4= 8.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  132 LEU CG  139 CYS HB3 3.98 
 &rst iat=  2051, 2167, r1= 3.48, r2= 3.98,
 r3= 8.38, r4= 8.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 ARG 2HB 3HB    133 ARG H 2.68 
 &rst iat= 2064, -1, r1= 2.51, r2= 3.01, r3= 3.01, r4= 3.51,
 igr1= 0,  igr2= 2068, 2069,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    133 ARG H 4.38 
 &rst iat= 2064, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 0,  igr2= 2074, 2075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    133 ARG H 3.98 
 &rst iat= 2064, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 2071, 2072,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG H  134 ASP HB3 5.35 
 &rst iat=  2064, 2093, r1= 4.85, r2= 5.35,
 r3= 5.35, r4= 5.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 ARG 2HB 3HB    133 ARG HA 2.94 
 &rst iat= 2066, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 2068, 2069,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    133 ARG HA 3.78 
 &rst iat= 2066, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 2074, 2075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    133 ARG HA 3.56 
 &rst iat= 2066, -1, r1= 3.50, r2= 4.00, r3= 4.00, r4= 4.50,
 igr1= 0,  igr2= 2071, 2072,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG HA  137 ILE H 4.13 
 &rst iat=  2066, 2129, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  133 ARG 2HB 3HB    133 ARG 2HD 3HD  3.10  
 &rst iat= -1, -1, r1= 2.98, r2= 3.48, r3= 7.88, r4= 8.38,
 igr1= 2068, 2069,   igr2= 2074, 2075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HB 3HB    133 ARG 2HG 3HG  2.71  
 &rst iat= -1, -1, r1= 2.54, r2= 3.04, r3= 7.44, r4= 7.94,
 igr1= 2068, 2069,   igr2= 2071, 2072,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HB 3HB    134 ASP H 2.83 
 &rst iat= -1, 2088, r1= 2.68, r2= 3.18, r3= 3.18, r4= 3.68,
 igr1= 2068, 2069,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HB 3HB    134 ASP HA 4.48 
 &rst iat= -1, 2090, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 2068, 2069,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HB 3HB    134 ASP HB3 5.18 
 &rst iat= -1, 2093, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 2068, 2069,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    134 ASP H 5.09 
 &rst iat= -1, 2088, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 2074, 2075,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    134 ASP HA 5.37 
 &rst iat= -1, 2090, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 2074, 2075,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    137 ILE HA 5.50 
 &rst iat= -1, 2131, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 2074, 2075,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HD 3HD    138 THR 1HG2 2HG2 3HG2  4.12  
 &rst iat= -1, -1, r1= 4.45, r2= 4.95, r3= 9.35, r4= 9.85,
 igr1= 2074, 2075,   igr2= 2154, 2155, 2156,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    133 ARG 2HD 3HD  2.96  
 &rst iat= -1, -1, r1= 2.82, r2= 3.32, r3= 7.72, r4= 8.22,
 igr1= 2071, 2072,   igr2= 2074, 2075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    134 ASP H 5.40 
 &rst iat= -1, 2088, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 2071, 2072,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    134 ASP HA 4.68 
 &rst iat= -1, 2090, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 2071, 2072,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  133 ARG 2HG 3HG    137 ILE H 5.50 
 &rst iat= -1, 2129, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 2071, 2072,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  134 ASP H  134 ASP HB2 3.61 
 &rst iat=  2088, 2092, r1= 3.11, r2= 3.61,
 r3= 3.61, r4= 4.11,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP H  134 ASP HB3 2.98 
 &rst iat=  2088, 2093, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP H  135 LYS H 3.12 
 &rst iat=  2088, 2100, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP H  136 GLY H 5.50 
 &rst iat=  2088, 2122, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP HB2  135 LYS H 4.46 
 &rst iat=  2092, 2100, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP HB3  135 LYS H 3.82 
 &rst iat=  2093, 2100, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP HB3  135 LYS HA 4.42 
 &rst iat=  2093, 2102, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  134 ASP HB3  135 LYS HB2 5.32 
 &rst iat=  2093, 2104, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  135 LYS H  135 LYS HB2 3.47 
 &rst iat=  2100, 2104, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  135 LYS H  135 LYS HG2 4.95 
 &rst iat=  2100, 2107, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  135 LYS H  136 GLY H 5.50 
 &rst iat=  2100, 2122, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    135 LYS HB2 3.87 
 &rst iat= 2104, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  135 LYS HB3  137 ILE HB 3.82 
 &rst iat=  2105, 2133, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    135 LYS HB3 4.19 
 &rst iat= 2105, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    135 LYS HG2 4.32 
 &rst iat= 2107, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  136 GLY H  136 GLY HA2 2.79 
 &rst iat=  2122, 2124, r1= 2.29, r2= 2.79,
 r3= 2.79, r4= 3.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  136 GLY H  137 ILE H 3.04 
 &rst iat=  2122, 2129, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  136 GLY H  137 ILE HA 5.13 
 &rst iat=  2122, 2131, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HG1 3HG1    136 GLY H 4.94 
 &rst iat= 2122, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 2139, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  136 GLY HA3  137 ILE HA 4.44 
 &rst iat=  2125, 2131, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE H  137 ILE HB 3.04 
 &rst iat=  2129, 2133, r1= 2.54, r2= 3.04,
 r3= 3.04, r4= 3.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    137 ILE H 4.42 
 &rst iat= 2129, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 2HG1 3HG1    137 ILE H 4.59 
 &rst iat= 2129, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 2139, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    137 ILE H 4.64 
 &rst iat= 2129, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 2135, 2136, 2137,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE H  138 THR H 5.28 
 &rst iat=  2129, 2148, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    137 ILE HA 4.18 
 &rst iat= 2131, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 2HG1 3HG1    137 ILE HA 3.75 
 &rst iat= 2131, -1, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 0,  igr2= 2139, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    137 ILE HA 3.55 
 &rst iat= 2131, -1, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 0,  igr2= 2135, 2136, 2137,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE HA  138 THR H 2.40 
 &rst iat=  2131, 2148, r1= 1.90, r2= 2.40,
 r3= 2.40, r4= 2.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  138 THR 1HG2 2HG2 3HG2    137 ILE HA 5.50 
 &rst iat= 2131, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 2154, 2155, 2156,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 2HD1 3HD1 1HD1    137 ILE HB 3.49 
 &rst iat= 2133, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE HB  138 THR H 5.24 
 &rst iat=  2133, 2148, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  137 ILE 2HG1 3HG1    138 THR H 5.20 
 &rst iat= -1, 2148, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 2139, 2140,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    137 ILE 2HD1 3HD1 1HD1  3.47  
 &rst iat= -1, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 2135, 2136, 2137,   igr2= 2143, 2144, 2142,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    137 ILE 2HG1 3HG1  3.00  
 &rst iat= -1, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 2135, 2136, 2137,   igr2= 2139, 2140,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    138 THR H 3.29 
 &rst iat= -1, 2148, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 2135, 2136, 2137,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    138 THR HA 5.12 
 &rst iat= -1, 2150, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 2135, 2136, 2137,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  137 ILE 1HG2 2HG2 3HG2    138 THR HB 5.02 
 &rst iat= -1, 2152, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 2135, 2136, 2137,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  138 THR H  138 THR HB 3.45 
 &rst iat=  2148, 2152, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  138 THR 1HG2 2HG2 3HG2    138 THR HA 3.64 
 &rst iat= 2150, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 2154, 2155, 2156,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  138 THR HA  139 CYS H 2.55 
 &rst iat=  2150, 2162, r1= 2.05, r2= 2.55,
 r3= 2.55, r4= 3.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  138 THR HA  139 CYS HA 5.08 
 &rst iat=  2150, 2164, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  138 THR HA  139 CYS HB3 5.25 
 &rst iat=  2150, 2167, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  138 THR HB  139 CYS H 4.24 
 &rst iat=  2152, 2162, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  138 THR 1HG2 2HG2 3HG2    139 CYS H 3.39 
 &rst iat= -1, 2162, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 2154, 2155, 2156,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  138 THR 1HG2 2HG2 3HG2    139 CYS HA 5.04 
 &rst iat= -1, 2164, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 2154, 2155, 2156,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  139 CYS HA  140 ARG H 3.43 
 &rst iat=  2164, 2173, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  139 CYS HA  140 ARG HA 4.96 
 &rst iat=  2164, 2175, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  139 CYS HA  140 ARG HB2 4.80 
 &rst iat=  2164, 2177, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  139 CYS HB2  140 ARG H 3.70 
 &rst iat=  2166, 2173, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  139 CYS HB2  140 ARG HA 5.50 
 &rst iat=  2166, 2175, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  139 CYS HB2  140 ARG HB2 5.50 
 &rst iat=  2166, 2177, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  139 CYS HB3  140 ARG H 3.98 
 &rst iat=  2167, 2173, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG H  140 ARG HB2 3.92 
 &rst iat=  2173, 2177, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG 3HD 2HD    140 ARG H 5.35 
 &rst iat= 2173, -1, r1= 5.51, r2= 6.01, r3= 6.01, r4= 6.51,
 igr1= 0,  igr2= 2184, 2183,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  140 ARG 3HG 2HG    140 ARG H 4.70 
 &rst iat= 2173, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 0,  igr2= 2181, 2180,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  140 ARG H  141 ASP H 4.80 
 &rst iat=  2173, 2197, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG 3HD 2HD    140 ARG HA 4.62 
 &rst iat= 2175, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 2184, 2183,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  140 ARG 3HG 2HG    140 ARG HA 3.97 
 &rst iat= 2175, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 2181, 2180,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  140 ARG HA  141 ASP H 2.62 
 &rst iat=  2175, 2197, r1= 2.12, r2= 2.62,
 r3= 2.62, r4= 3.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG HA  141 ASP HA 4.55 
 &rst iat=  2175, 2199, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG HA  141 ASP HB2 4.48 
 &rst iat=  2175, 2201, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG 3HG 2HG    140 ARG HB3 2.77 
 &rst iat= 2178, -1, r1= 2.61, r2= 3.11, r3= 3.11, r4= 3.61,
 igr1= 0,  igr2= 2181, 2180,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  140 ARG HB3  141 ASP H 4.66 
 &rst iat=  2178, 2197, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  140 ARG 3HG 2HG    141 ASP H 4.99 
 &rst iat= -1, 2197, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 2181, 2180,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  141 ASP H  141 ASP HB2 3.78 
 &rst iat=  2197, 2201, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  141 ASP H  141 ASP HB3 4.13 
 &rst iat=  2197, 2202, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  141 ASP H  142 LEU H 5.46 
 &rst iat=  2197, 2209, r1= 4.96, r2= 5.46,
 r3= 5.46, r4= 5.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  141 ASP HA  142 LEU H 2.40 
 &rst iat=  2199, 2209, r1= 1.90, r2= 2.40,
 r3= 2.40, r4= 2.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  141 ASP HB2  142 LEU H 4.71 
 &rst iat=  2201, 2209, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  141 ASP HB3  142 LEU H 4.07 
 &rst iat=  2202, 2209, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#

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