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

653356 6hpj 34317 cing 1-original 2 AMBER distance NOE simple
# Restraints file 2: RST
#
# 72	TYR	HA	74	TYR	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
      rk2=50, rk3=50, ir6=1, ialtd=0,
 &end
#
# 74	TYR	H	78	ARG	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74	TYR	H	77	TYR	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1162, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 74	TYR	H	74	TYR	QD	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1130,1139,
 &end
#
# 17	ASN	HD21	74	TYR	H	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1122, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 74	TYR	H	78	ARG	HA	3.48	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1185, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 73	ASP	HA	74	TYR	H	2.62	
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
# 74	TYR	H	74	TYR	HB2	3.19	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1126, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 74	TYR	H	77	TYR	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74	TYR	H	77	TYR	HB2	5.41	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1166, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 74	TYR	H	78	ARG	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
# 74	TYR	H	74	TYR	HB3	3.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1127, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 74	TYR	H	78	ARG	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74	TYR	H	79	LEU	QQD	3.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
# 17	ASN	HB2	79	LEU	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 243,1207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77	TYR	HB3	79	LEU	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74	TYR	H	79	LEU	H	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1207, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 72	TYR	QD	79	LEU	H	5.22	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1097,1106,
 &end
#
# 74	TYR	QD	79	LEU	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1130,1139,
 &end
#
# 17	ASN	HD21	79	LEU	H	5.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1207, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 78	ARG	HA	79	LEU	H	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1207, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 72	TYR	HA	79	LEU	H	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1207, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 74	TYR	HB2	79	LEU	H	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1207, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 72	TYR	HB2	79	LEU	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1207, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 78	ARG	HB3	79	LEU	H	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1207, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 79	LEU	H	79	LEU	HG	4.01	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 79	LEU	H	79	LEU	QB	3.61	
 &rst
  ixpk= 0, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1211,1212,
 &end
#
# 71	GLY	H	79	LEU	H	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1207, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 72	TYR	HB3	79	LEU	H	5.34	
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1207, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 43	LYS	H	51	PHE	QD	4.97	
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 795, 803,
 &end
#
# 43	LYS	H	53	PHE	H	5.04	
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 817, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 43	LYS	H	51	PHE	QE	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 797, 801,
 &end
#
# 42	LEU	HA	43	LYS	H	2.99	
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 661, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 42	LEU	QB	43	LYS	H	4.31	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 646, 647,
 &end
#
# 43	LYS	H	43	LYS	HB3	3.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 666, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 43	LYS	H	52	ALA	QB	3.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 811, 812, 813,
 &end
#
# 41	ASP	H	53	PHE	H	4.11	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 817, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 40	ILE	H	41	ASP	H	4.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 630, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 40	ILE	HA	41	ASP	H	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 630, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 41	ASP	H	41	ASP	HB3	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 41	ASP	H	53	PHE	QB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 821, 822,
 &end
#
# 41	ASP	H	41	ASP	HB2	3.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 40	ILE	HB	41	ASP	H	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 630, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 41	ASP	H	52	ALA	QB	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 811, 812, 813,
 &end
#
# 40	ILE	QG2	41	ASP	H	3.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 617, 618, 619,
 &end
#
# 41	ASP	H	54	VAL	QG2	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 847, 848, 849,
 &end
#
# 41	ASP	H	54	VAL	QG1	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 843, 844, 845,
 &end
#
# 38	ARG	H	55	GLU	H	5.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 853, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 38	ARG	H	57	GLU	H	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 888, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 38	ARG	H	56	PHE	HA	3.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 870, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 37	ILE	HA	38	ARG	H	2.90	
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 575, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 37	ILE	QG2	38	ARG	H	3.29	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 562, 563, 564,
 &end
#
# 38	ARG	H	56	PHE	QD	5.28	
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 876, 884,
 &end
#
# 38	ARG	H	38	ARG	QB	2.92	
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 579, 580,
 &end
#
# 36	ALA	QB	38	ARG	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 550, 551, 552,
 &end
#
# 39	ASP	H	55	GLU	H	4.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 853, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 39	ASP	HA	55	GLU	H	5.38	
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 853, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 54	VAL	HA	55	GLU	H	2.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 853, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 39	ASP	HB3	55	GLU	H	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 853, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 39	ASP	HB2	55	GLU	H	4.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 853, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 55	GLU	H	55	GLU	HB3	3.20	
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 858, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 55	GLU	H	55	GLU	HB2	3.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 857, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 54	VAL	HB	55	GLU	H	4.16	
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 853, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 37	ILE	QG2	55	GLU	H	3.63	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 562, 563, 564,
 &end
#
# 54	VAL	QG2	55	GLU	H	4.07	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 847, 848, 849,
 &end
#
# 54	VAL	QG1	55	GLU	H	3.12	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 843, 844, 845,
 &end
#
# 11	CYS	HA	56	PHE	H	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 868, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 80	ARG	H	81	VAL	H	4.46	
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1250, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 80	ARG	HA	81	VAL	H	2.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1250, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 81	VAL	H	82	GLU	HA	5.43	
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1268, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 70	ASP	HA	81	VAL	H	3.35	
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1250, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 81	VAL	H	81	VAL	HB	3.47	
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1254, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 81	VAL	H	81	VAL	QQG	3.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 71	GLY	HA2	81	VAL	H	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1250, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 13	ILE	H	56	PHE	H	4.68	
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 868, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 56	PHE	H	56	PHE	QE	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 878, 882,
 &end
#
# 12	ARG	HA	56	PHE	H	3.54	
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 868, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 55	GLU	HA	56	PHE	H	2.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 868, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 11	CYS	HB3	56	PHE	H	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 868, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 56	PHE	H	56	PHE	HB2	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 12	ARG	QG	56	PHE	H	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 159, 160,
 &end
#
# 56	PHE	H	56	PHE	QD	3.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 876, 884,
 &end
#
# 56	PHE	H	56	PHE	HB3	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 873, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 11	CYS	HB2	56	PHE	H	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 868, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 73	ASP	H	74	TYR	H	4.33	
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 72	TYR	QD	73	ASP	H	3.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1097,1106,
 &end
#
# 72	TYR	QE	73	ASP	H	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1099,1104,
 &end
#
# 73	ASP	H	78	ARG	HA	4.92	
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1185, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 72	TYR	HA	73	ASP	H	2.52	
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1110, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02,  &end
#
# 72	TYR	HB3	73	ASP	H	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1110, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 73	ASP	H	78	ARG	QD	5.30	
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=1193,1194,
 &end
#
# 72	TYR	HB2	73	ASP	H	4.83	
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1110, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 73	ASP	H	73	ASP	HB3	2.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 73	ASP	H	73	ASP	HB2	2.87	
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 73	ASP	H	79	LEU	QQD	4.86	
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
# 14	TYR	QE	15	VAL	H	5.27	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 205, 210,
 &end
#
# 14	TYR	QD	15	VAL	H	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 203, 212,
 &end
#
# 14	TYR	HB3	15	VAL	H	5.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 216, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 15	VAL	H	15	VAL	HB	3.89	
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 220, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 15	VAL	H	81	VAL	QQG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 14	TYR	H	15	VAL	H	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 216, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 40	ILE	HB	42	LEU	H	5.31	
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 642, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 3	ARG	H	3	ARG	HB2	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  43, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 2	ILE	QG2	3	ARG	H	4.30	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  26,  27,  28,
 &end
#
# 41	ASP	HA	42	LEU	H	2.75	
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 642, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 41	ASP	HB3	42	LEU	H	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 642, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 41	ASP	HB2	42	LEU	H	4.79	
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 42	LEU	H	42	LEU	QB	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 646, 647,
 &end
#
# 40	ILE	QG1	42	LEU	H	4.76	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 621, 622,
 &end
#
# 42	LEU	H	42	LEU	HG	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 649, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 3	ARG	H	3	ARG	HB3	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  44, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 3	ARG	H	3	ARG	QG	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=  46,  47,
 &end
#
# 2	ILE	H	2	ILE	QD1	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=  33,  34,  35,
 &end
#
# 2	ILE	H	2	ILE	HB	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  24, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 2	ILE	H	2	ILE	HG13	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  31, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 2	ILE	H	2	ILE	HG12	4.08	
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  30, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 14	TYR	HA	54	VAL	H	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 837, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 54	VAL	H	55	GLU	H	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 853, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 53	PHE	QD	54	VAL	H	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 825, 833,
 &end
#
# 53	PHE	HA	54	VAL	H	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 837, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 12	ARG	HA	54	VAL	H	5.46	
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 837, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 13	ILE	HB	54	VAL	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 54	VAL	H	54	VAL	HB	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 13	ILE	QG1	54	VAL	H	3.62	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 186, 187,
 &end
#
# 15	VAL	QG2	54	VAL	H	4.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 226, 227, 228,
 &end
#
# 54	VAL	H	54	VAL	QG2	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 847, 848, 849,
 &end
#
# 54	VAL	H	54	VAL	QG1	3.81	
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 843, 844, 845,
 &end
#
# 74	TYR	H	75	ASP	H	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75	ASP	H	77	TYR	H	4.85	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1162, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 74	TYR	QD	75	ASP	H	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=1130,1139,
 &end
#
# 74	TYR	QE	75	ASP	H	4.35	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1132,1137,
 &end
#
# 75	ASP	H	75	ASP	HA	2.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1145, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 74	TYR	HB2	75	ASP	H	3.66	
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1143, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 75	ASP	H	75	ASP	HB3	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1148, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 74	TYR	HB3	75	ASP	H	3.79	
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1143, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 75	ASP	H	75	ASP	HB2	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 75	ASP	H	79	LEU	QQD	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
# 65	ALA	H	68	GLY	H	4.81	
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1039, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 64	ASP	H	65	ALA	H	2.84	
 &rst
  ixpk= 0, nxpk= 0, iat= 990,1002, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 65	ALA	H	66	VAL	H	2.91	
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1012, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 34	TYR	QD	65	ALA	H	3.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 526, 535,
 &end
#
# 56	PHE	QE	65	ALA	H	4.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 878, 882,
 &end
#
# 34	TYR	QE	65	ALA	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 528, 533,
 &end
#
# 63	GLU	HA	65	ALA	H	4.93	
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1002, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 65	ALA	H	66	VAL	HA	5.10	
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1014, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 34	TYR	HB3	65	ALA	H	3.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1002, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 62	ALA	HA	65	ALA	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 967,1002, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 64	ASP	HB2	65	ALA	H	3.09	
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1002, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 64	ASP	HB3	65	ALA	H	3.66	
 &rst
  ixpk= 0, nxpk= 0, iat= 995,1002, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 63	GLU	QB	65	ALA	H	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 979, 980,
 &end
#
# 65	ALA	H	66	VAL	HB	4.65	
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1016, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 62	ALA	QB	65	ALA	H	4.66	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 969, 970, 971,
 &end
#
# 65	ALA	H	65	ALA	QB	2.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2=1006,1007,1008,
 &end
#
# 13	ILE	QG2	14	TYR	H	3.65	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 182, 183, 184,
 &end
#
# 14	TYR	H	82	GLU	H	3.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1266, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 14	TYR	H	83	PHE	H	5.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1281, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 13	ILE	HA	14	TYR	H	3.12	
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 195, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 14	TYR	H	82	GLU	HA	4.34	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1268, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 14	TYR	H	84	PRO	QG	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1305,1306,
 &end
#
# 13	ILE	QG1	14	TYR	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 186, 187,
 &end
#
# 14	TYR	H	83	PHE	QD	5.07	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1289,1297,
 &end
#
# 14	TYR	H	14	TYR	QD	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 203, 212,
 &end
#
# 14	TYR	H	81	VAL	HA	4.98	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1252, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 14	TYR	H	83	PHE	HB3	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14	TYR	H	83	PHE	HB2	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14	TYR	H	14	TYR	HB3	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 13	ILE	HB	14	TYR	H	3.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 195, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 13	ILE	QD1	14	TYR	H	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 189, 190, 191,
 &end
#
# 37	ILE	H	38	ARG	H	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 575, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 37	ILE	H	57	GLU	H	5.19	
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 888, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 37	ILE	H	56	PHE	QE	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 878, 882,
 &end
#
# 32	SER	HA	37	ILE	H	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 36	ALA	HA	37	ILE	H	2.95	
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 556, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 32	SER	QB	37	ILE	H	5.16	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 489, 490,
 &end
#
# 37	ILE	H	37	ILE	HB	2.80	
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 37	ILE	H	38	ARG	QG	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 582, 583,
 &end
#
# 37	ILE	H	37	ILE	QD1	3.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 569, 570, 571,
 &end
#
# 14	TYR	QE	80	ARG	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 205, 210,
 &end
#
# 14	TYR	H	54	VAL	HB	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16	GLY	H	80	ARG	H	3.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 232,1226, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 79	LEU	HA	80	ARG	H	2.73	
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 17	ASN	HB2	80	ARG	H	3.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 243,1226, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 17	ASN	HB3	80	ARG	H	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1226, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 79	LEU	QB	80	ARG	H	3.37	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1211,1212,
 &end
#
# 22	ILE	HA	23	ARG	H	2.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 331, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 23	ARG	H	26	ASP	HB3	4.27	
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 396, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 23	ARG	H	26	ASP	HB2	3.41	
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 395, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 5	PRO	QG	6	ALA	H	4.69	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  74,  75,
 &end
#
# 22	ILE	QD1	23	ARG	H	3.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 325, 326, 327,
 &end
#
# 77	TYR	H	78	ARG	H	4.58	
 &rst
  ixpk= 0, nxpk= 0, iat=1162,1183, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 77	TYR	H	77	TYR	HB2	2.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1162,1166, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 17	ASN	HD21	80	ARG	H	4.62	
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1226, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 23	ARG	H	26	ASP	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76	GLY	H	77	TYR	H	2.97	
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1162, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 77	TYR	H	77	TYR	QD	3.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1170,1179,
 &end
#
# 74	TYR	HB3	77	TYR	H	4.20	
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 74	TYR	HB2	78	ARG	H	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1183, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 78	ARG	H	79	LEU	H	4.38	
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1207, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 77	TYR	QD	78	ARG	H	3.83	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1170,1179,
 &end
#
# 17	ASN	HD21	78	ARG	H	3.94	
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1183, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 77	TYR	HA	78	ARG	H	2.71	
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 17	ASN	HB2	78	ARG	H	5.05	
 &rst
  ixpk= 0, nxpk= 0, iat= 243,1183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 77	TYR	HB3	78	ARG	H	3.60	
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1183, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 77	TYR	HB2	78	ARG	H	3.82	
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1183, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 17	ASN	HB3	78	ARG	H	5.24	
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1183, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 78	ARG	H	78	ARG	HB3	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1188, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 78	ARG	H	78	ARG	HB2	3.39	
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1187, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 78	ARG	H	78	ARG	HG2	5.21	
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1190, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 72	TYR	H	79	LEU	H	3.84	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1207, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 71	GLY	H	72	TYR	H	3.11	
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 72	TYR	H	73	ASP	H	4.42	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1110, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 17	ASN	HD21	72	TYR	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72	TYR	H	80	ARG	HA	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72	TYR	H	78	ARG	HA	4.04	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1185, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 72	TYR	H	72	TYR	HB3	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 72	TYR	H	72	TYR	HB2	3.23	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 72	TYR	H	79	LEU	QQD	3.49	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
# 71	GLY	HA2	72	TYR	H	3.45	
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 72	TYR	H	79	LEU	QB	3.90	
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1211,1212,
 &end
#
# 39	ASP	HB3	40	ILE	H	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 611, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 40	ILE	H	40	ILE	HB	3.22	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 40	ILE	H	41	ASP	HA	4.91	
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 632, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 39	ASP	HA	40	ILE	H	2.71	
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 611, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 39	ASP	HB2	40	ILE	H	4.21	
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 611, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 40	ILE	H	40	ILE	QD1	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 624, 625, 626,
 &end
#
# 40	ILE	H	40	ILE	QG2	3.87	
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 617, 618, 619,
 &end
#
# 12	ARG	H	13	ILE	H	4.67	
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 176, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 12	ARG	H	56	PHE	H	4.74	
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 868, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 11	CYS	H	12	ARG	H	2.96	
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 152, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 12	ARG	H	55	GLU	HA	4.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 855, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 10	ASP	HA	12	ARG	H	4.55	
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 11	CYS	HB2	12	ARG	H	4.02	
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 11	CYS	HB3	12	ARG	H	4.48	
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 12	ARG	H	12	ARG	QD	4.77	
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 162, 163,
 &end
#
# 12	ARG	H	12	ARG	HB3	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 12	ARG	H	12	ARG	HB2	3.69	
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 12	ARG	H	12	ARG	QG	3.86	
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 159, 160,
 &end
#
# 12	ARG	H	13	ILE	QG2	4.97	
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 182, 183, 184,
 &end
#
# 81	VAL	H	82	GLU	H	4.22	
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1266, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 14	TYR	QD	82	GLU	H	3.92	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 203, 212,
 &end
#
# 14	TYR	QE	82	GLU	H	4.88	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 205, 210,
 &end
#
# 81	VAL	HA	82	GLU	H	2.93	
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1266, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 80	ARG	HA	82	GLU	H	4.80	
 &rst
  ixpk= 0, nxpk= 0, iat=1228,1266, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 14	TYR	HA	82	GLU	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14	TYR	HB3	82	GLU	H	4.40	
 &rst
  ixpk= 0, nxpk= 0, iat= 200,1266, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 82	GLU	H	82	GLU	HB3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1266,1271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 82	GLU	H	82	GLU	HG3	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 82	GLU	H	82	GLU	HG2	4.25	
 &rst
  ixpk= 0, nxpk= 0, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 82	GLU	H	82	GLU	HB2	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1266,1270, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 15	VAL	QG1	82	GLU	H	5.25	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 222, 223, 224,
 &end
#
# 66	VAL	QG1	82	GLU	H	4.73	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1018,1019,1020,
 &end
#
# 15	VAL	QG2	82	GLU	H	4.47	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 226, 227, 228,
 &end
#
# 13	ILE	QD1	82	GLU	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 189, 190, 191,
 &end
#
# 28	GLU	H	40	ILE	QG1	5.15	
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 621, 622,
 &end
#
# 28	GLU	H	29	ASP	HB2	4.64	
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 441, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 25	LYS	QG	28	GLU	H	5.14	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 376, 377,
 &end
#
# 28	GLU	H	32	SER	H	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28	GLU	H	29	ASP	H	3.08	
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 437, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 27	ILE	H	28	GLU	H	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 26	ASP	HA	28	GLU	H	4.57	
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 422, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 25	LYS	HA	28	GLU	H	3.43	
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 422, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 26	ASP	HB3	28	GLU	H	5.33	
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 422, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 25	LYS	QE	28	GLU	H	4.82	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 382, 383,
 &end
#
# 28	GLU	H	28	GLU	QG	2.72	
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
 igr2= 429, 430,
 &end
#
# 25	LYS	HB3	28	GLU	H	5.44	
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 422, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 87	RCYT	H6	87	RCYT	H2'	2.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1406, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=50, rk3=50, ir6=1, ialtd=0,
 &end
#
# 87	RCYT	H6	87	RCYT	H3'	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1404, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 87	RCYT	H6	87	RCYT	H4'	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87	RCYT	H6	87	RCYT	H1'	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87	RCYT	H5	87	RCYT	H2'	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 88	RADE	H8	88	RADE	H1'	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1424,1421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 87	RCYT	H6	14	TYR	QE	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 205, 210,
 &end
#
# 87	RCYT	H6	14	TYR	QD	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 203, 212,
 &end
#
# 87	RCYT	H5	14	TYR	QE	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 205, 210,
 &end
#
# 87	RCYT	H5	14	TYR	QD	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 203, 212,
 &end
#
# 87	RCYT	H5	82	GLU	HG3	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87	RCYT	H2'	14	TYR	QE	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 205, 210,
 &end
#
# 87	RCYT	H3'	14	TYR	QE	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 205, 210,
 &end
#
# 87	RCYT	H4'	14	TYR	QE	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 205, 210,
 &end
#
# 87	RCYT	Q5'	14	TYR	QE	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1384,1385,
 igr2= 205, 210,
 &end
#
# 87	RCYT	H1'	51	PHE	QE	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 797, 801,
 &end
#
# 87	RCYT	H1'	51	PHE	QD	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 795, 803,
 &end
#
# 88	RADE	H1'	43	LYS	QE	2.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 674, 675,
 &end
#
# 88	RADE	H1'	43	LYS	QD	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 671, 672,
 &end
#
# 88	RADE	H1'	4	GLY	HA2	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 88	RADE	H1'	4	GLY	HA3	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 88	RADE	H8	51	PHE	QE	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 797, 801,
 &end
#
# 88	RADE	H8	51	PHE	HZ	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1424, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 88	RADE	H2	3	ARG	QD	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  49,  50,
 &end
#
# 88	RADE	H2	3	ARG	QG	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  46,  47,
 &end
#
# 88	RADE	H2	4	GLY	HA2	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  65, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 88	RADE	H2	4	GLY	HA3	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 88	RADE	H2	12	ARG	QD	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 163,
 &end
#
# 88	RADE	H2	41	ASP	HB2	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433, 634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 88	RADE	H2	41	ASP	HB3	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 88	RADE	H2	53	PHE	QD	3.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 825, 833,
 &end
#
# 88	RADE	H2	53	PHE	HB2	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433, 821, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 88	RADE	H2	53	PHE	HB3	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1433, 822, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 88	RADE	Q5'	51	PHE	HZ	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1415,1416,
 &end
#
# 88	RADE	Q5'	51	PHE	QE	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1415,1416,
 igr2= 797, 801,
 &end
#
# 88	RADE	H4'	51	PHE	HZ	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1418, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 88	RADE	H4'	51	PHE	QE	4.00	
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 797, 801,
 &end
#
# 88	RADE	H2'	51	PHE	HZ	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1439, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88	RADE	H3'	51	PHE	HZ	5.50	
 &rst
  ixpk= 0, nxpk= 0, iat=1437, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53	PHE	QD	51	PHE	QE	4.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 825, 833,
 igr2= 797, 801,
 &end
#
# 14	TYR	HB2	53	PHE	QD	5.00	
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 825, 833,
 &end
#
# 14	TYR	QD	51	PHE	QD	3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 203, 212,
 igr2= 795, 803,
 &end
#
# 82	GLU	HG3	83	PHE	H	4.2	
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1281, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 82	GLU	HG3	14	TYR	QD	4.2	
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 203, 212,
 &end
#
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	653356	6hpj	34317	cing	1-original	2	AMBER	distance	NOE	simple