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
569380 2m39 18950 cing 1-original 2 AMBER dihedral angle


# Torsion angle restraints
#
# 2 G48 ALPHA:  (1 C5L O3')-(2 G48 P)-(2 G48 O5')-(2 G48 C5') -120.0 120.0
 &rst     iat =    42,    43,    46,    47,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
   rk2 =  500.0, rk3 =  500.0,    &end
#
# 3 C5L ALPHA:  (2 G48 O3')-(3 C5L P)-(3 C5L O5')-(3 C5L C5') -120.0 120.0
 &rst     iat =    86,    87,    90,    91,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 4 G48 ALPHA:  (3 C5L O3')-(4 G48 P)-(4 G48 O5')-(4 G48 C5') -120.0 120.0
 &rst     iat =   130,   131,   134,   135,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 5 A44 ALPHA:  (4 G48 O3')-(5 A44 P)-(5 A44 O5')-(5 A44 C5') -120.0 120.0
 &rst     iat =   174,   175,   178,   179,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 6 A44 ALPHA:  (5 A44 O3')-(6 A44 P)-(6 A44 O5')-(6 A44 C5') -120.0 120.0
 &rst     iat =   217,   218,   221,   222,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 7 T39 ALPHA:  (6 A44 O3')-(7 T39 P)-(7 T39 O5')-(7 T39 C5') -120.0 120.0
 &rst     iat =   260,   261,   264,   265,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 8 T39 ALPHA:  (7 T39 O3')-(8 T39 P)-(8 T39 O5')-(8 T39 C5') -120.0 120.0
 &rst     iat =   303,   304,   307,   308,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 9 C5L ALPHA:  (8 T39 O3')-(9 C5L P)-(9 C5L O5')-(9 C5L C5') -120.0 120.0
 &rst     iat =   346,   347,   350,   351,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 10 G48 ALPHA:  (9 C5L O3')-(10 G48 P)-(10 G48 O5')-(10 G48 C5') -120.0 120.0
 &rst     iat =   390,   391,   394,   395,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 11 C5L ALPHA:  (10 G48 O3')-(11 C5L P)-(11 C5L O5')-(11 C5L C5') -120.0 120.0
 &rst     iat =   434,   435,   438,   439,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 12 DG ALPHA:  (11 C5L O3')-(12 DG P)-(12 DG O5')-(12 DG C5') -120.0 120.0
 &rst     iat =   478,   479,   482,   483,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 14 G48 ALPHA:  (13 C5L O3')-(14 G48 P)-(14 G48 O5')-(14 G48 C5') -120.0 120.0
 &rst     iat =   554,   555,   558,   559,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 15 C5L ALPHA:  (14 G48 O3')-(15 C5L P)-(15 C5L O5')-(15 C5L C5') -120.0 120.0
 &rst     iat =   598,   599,   602,   603,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 16 G48 ALPHA:  (15 C5L O3')-(16 G48 P)-(16 G48 O5')-(16 G48 C5') -120.0 120.0
 &rst     iat =   642,   643,   646,   647,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 17 A44 ALPHA:  (16 G48 O3')-(17 A44 P)-(17 A44 O5')-(17 A44 C5') -120.0 120.0
 &rst     iat =   686,   687,   690,   691,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 18 A44 ALPHA:  (17 A44 O3')-(18 A44 P)-(18 A44 O5')-(18 A44 C5') -120.0 120.0
 &rst     iat =   729,   730,   733,   734,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 19 T39 ALPHA:  (18 A44 O3')-(19 T39 P)-(19 T39 O5')-(19 T39 C5') -120.0 120.0
 &rst     iat =   772,   773,   776,   777,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 20 T39 ALPHA:  (19 T39 O3')-(20 T39 P)-(20 T39 O5')-(20 T39 C5') -120.0 120.0
 &rst     iat =   815,   816,   819,   820,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 21 C5L ALPHA:  (20 T39 O3')-(21 C5L P)-(21 C5L O5')-(21 C5L C5') -120.0 120.0
 &rst     iat =   858,   859,   862,   863,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 22 G48 ALPHA:  (21 C5L O3')-(22 G48 P)-(22 G48 O5')-(22 G48 C5') -120.0 120.0
 &rst     iat =   902,   903,   906,   907,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 23 C5L ALPHA:  (22 G48 O3')-(23 C5L P)-(23 C5L O5')-(23 C5L C5') -120.0 120.0
 &rst     iat =   946,   947,   950,   951,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 24 G48 ALPHA:  (23 C5L O3')-(24 DG P)-(24 DG O5')-(24 DG C5') -120.0 120.0
 &rst     iat =   990,   991,   994,   995,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 1 C5L ZETA:  (1 C5L C3')-(1 C5L O3')-(2 G48 P)-(2 G48 O5') -120.0 120.0
 &rst     iat =    26,    42,    43,    46,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 2 G48 ZETA:  (2 G48 C3')-(2 G48 O3')-(3 C5L P)-(3 C5L O5') -120.0 120.0
 &rst     iat =    70,    86,    87,    90,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 3 C5L ZETA:  (3 C5L C3')-(3 C5L O3')-(4 G48 P)-(4 G48 O5') -120.0 120.0
 &rst     iat =   114,   130,   131,   134,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 4 G48 ZETA:  (4 G48 C3')-(4 G48 O3')-(5 A44 P)-(5 A44 O5') -120.0 120.0
 &rst     iat =   158,   174,   175,   178,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 5 A44 ZETA:  (5 A44 C3')-(5 A44 O3')-(6 A44 P)-(6 A44 O5') -120.0 120.0
 &rst     iat =   201,   217,   218,   221,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 6 A44 ZETA:  (6 A44 C3')-(6 A44 O3')-(7 T39 P)-(7 T39 O5') -120.0 120.0
 &rst     iat =   244,   260,   261,   264,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 7 T39 ZETA:  (7 T39 C3')-(7 T39 O3')-(8 T39 P)-(8 T39 O5') -120.0 120.0
 &rst     iat =   287,   303,   304,   307,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 8 T39 ZETA:  (8 T39 C3')-(8 T39 O3')-(9 C5L P)-(9 C5L O5') -120.0 120.0
 &rst     iat =   330,   346,   347,   350,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 9 C5L ZETA:  (9 C5L C3')-(9 C5L O3')-(10 G48 P)-(10 G48 O5') -120.0 120.0
 &rst     iat =   374,   390,   391,   394,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 10 G48 ZETA:  (10 G48 C3')-(10 G48 O3')-(11 C5L P)-(11 C5L O5') -120.0 120.0
 &rst     iat =   418,   434,   435,   438,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 11 C5L ZETA:  (11 C5L C3')-(11 C5L O3')-(12 DG P)-(12 DG O5') -120.0 120.0
 &rst     iat =   462,   478,   479,   482,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 13 C5L ZETA:  (13 C5L C3')-(13 C5L O3')-(14 G48 P)-(14 G48 O5') -120.0 120.0
 &rst     iat =   538,   554,   555,   558,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 14 G48 ZETA:  (14 G48 C3')-(14 G48 O3')-(15 C5L P)-(15 C5L O5') -120.0 120.0
 &rst     iat =   582,   598,   599,   602,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 15 C5L ZETA:  (15 C5L C3')-(15 C5L O3')-(16 G48 P)-(16 G48 O5') -120.0 120.0
 &rst     iat =   626,   642,   643,   646,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 16 G48 ZETA:  (16 G48 C3')-(16 G48 O3')-(17 A44 P)-(17 A44 O5') -120.0 120.0
 &rst     iat =   670,   686,   687,   690,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 17 A44 ZETA:  (17 A44 C3')-(17 A44 O3')-(18 A44 P)-(18 A44 O5') -120.0 120.0
 &rst     iat =   713,   729,   730,   733,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 18 A44 ZETA:  (18 A44 C3')-(18 A44 O3')-(19 T39 P)-(19 T39 O5') -120.0 120.0
 &rst     iat =   756,   772,   773,   776,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 19 T39 ZETA:  (19 T39 C3')-(19 T39 O3')-(20 T39 P)-(20 T39 O5') -120.0 120.0
 &rst     iat =   799,   815,   816,   819,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 20 T39 ZETA:  (20 T39 C3')-(20 T39 O3')-(21 C5L P)-(21 C5L O5') -120.0 120.0
 &rst     iat =   842,   858,   859,   862,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 21 C5L ZETA:  (21 C5L C3')-(21 C5L O3')-(22 G48 P)-(22 G48 O5') -120.0 120.0
 &rst     iat =   886,   902,   903,   906,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 22 G48 ZETA:  (22 G48 C3')-(22 G48 O3')-(23 C5L P)-(23 C5L O5') -120.0 120.0
 &rst     iat =   930,   946,   947,   950,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 23 C5L ZETA:  (23 C5L C3')-(23 C5L O3')-(24 DG P)-(24 DG O5') -120.0 120.0
 &rst     iat =   974,   990,   991,   994,
   r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0,
 &end
#
# 1 C5L EPSLN:  (1 C5L C4')-(1 C5L C3')-(1 C5L O3')-(2 G48 P) 190.0 290.0
 &rst     iat =     6,    26,    42,    43,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 2 G48 EPSLN:  (2 G48 C4')-(2 G48 C3')-(2 G48 O3')-(3 C5L P) 190.0 290.0
 &rst     iat =    50,    70,    86,    87,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 3 C5L EPSLN:  (3 C5L C4')-(3 C5L C3')-(3 C5L O3')-(4 G48 P) 190.0 290.0
 &rst     iat =    94,   114,   130,   131,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 4 G48 EPSLN:  (4 G48 C4')-(4 G48 C3')-(4 G48 O3')-(5 A44 P) 190.0 290.0
 &rst     iat =   138,   158,   174,   175,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 5 A44 EPSLN:  (5 A44 C4')-(5 A44 C3')-(5 A44 O3')-(6 A44 P) 190.0 290.0
 &rst     iat =   182,   201,   217,   218,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 6 A44 EPSLN:  (6 A44 C4')-(6 A44 C3')-(6 A44 O3')-(7 T39 P) 190.0 290.0
 &rst     iat =   225,   244,   260,   261,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 7 T39 EPSLN:  (7 T39 C4')-(7 T39 C3')-(7 T39 O3')-(8 T39 P) 190.0 290.0
 &rst     iat =   268,   287,   303,   304,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 8 T39 EPSLN:  (8 T39 C4')-(8 T39 C3')-(8 T39 O3')-(9 C5L P) 190.0 290.0
 &rst     iat =   311,   330,   346,   347,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 9 C5L EPSLN:  (9 C5L C4')-(9 C5L C3')-(9 C5L O3')-(10 G48 P) 190.0 290.0
 &rst     iat =   354,   374,   390,   391,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 10 G48 EPSLN:  (10 G48 C4')-(10 G48 C3')-(10 G48 O3')-(11 C5L P) 190.0 290.0
 &rst     iat =   398,   418,   434,   435,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 11 C5L EPSLN:  (11 C5L C4')-(11 C5L C3')-(11 C5L O3')-(12 DG P) 190.0 290.0
 &rst     iat =   442,   462,   478,   479,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 13 C5L EPSLN:  (13 C5L C4')-(13 C5L C3')-(13 C5L O3')-(14 G48 P) 190.0 290.0
 &rst     iat =   518,   538,   554,   555,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 14 G48 EPSLN:  (14 G48 C4')-(14 G48 C3')-(14 G48 O3')-(15 C5L P) 190.0 290.0
 &rst     iat =   562,   582,   598,   599,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 15 C5L EPSLN:  (15 C5L C4')-(15 C5L C3')-(15 C5L O3')-(16 G48 P) 190.0 290.0
 &rst     iat =   606,   626,   642,   643,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 16 G48 EPSLN:  (16 G48 C4')-(16 G48 C3')-(16 G48 O3')-(17 A44 P) 190.0 290.0
 &rst     iat =   650,   670,   686,   687,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 17 A44 EPSLN:  (17 A44 C4')-(17 A44 C3')-(17 A44 O3')-(18 A44 P) 190.0 290.0
 &rst     iat =   694,   713,   729,   730,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 18 A44 EPSLN:  (18 A44 C4')-(18 A44 C3')-(18 A44 O3')-(19 T39 P) 190.0 290.0
 &rst     iat =   737,   756,   772,   773,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 19 T39 EPSLN:  (19 T39 C4')-(19 T39 C3')-(19 T39 O3')-(20 T39 P) 190.0 290.0
 &rst     iat =   780,   799,   815,   816,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 20 T39 EPSLN:  (20 T39 C4')-(20 T39 C3')-(20 T39 O3')-(21 C5L P) 190.0 290.0
 &rst     iat =   823,   842,   858,   859,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 21 C5L EPSLN:  (21 C5L C4')-(21 C5L C3')-(21 C5L O3')-(22 G48 P) 190.0 290.0
 &rst     iat =   866,   886,   902,   903,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 22 G48 EPSLN:  (22 G48 C4')-(22 G48 C3')-(22 G48 O3')-(23 C5L P) 190.0 290.0
 &rst     iat =   910,   930,   946,   947,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 23 C5L EPSLN:  (23 C5L C4')-(23 C5L C3')-(23 C5L O3')-(24 DG P) 190.0 290.0
 &rst     iat =   954,   974,   990,   991,
   r1 = 189.0, r2 = 190.0, r3 = 290.0, r4 = 291.0,
 &end
#
# 1 C5L DELTA:  (1 C5L C5')-(1 C5L C4')-(1 C5L C3')-(1 C5L O3')  65.0 105.0
 &rst     iat =     3,     6,    26,    42,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 2 G48 DELTA:  (2 G48 C5')-(2 G48 C4')-(2 G48 C3')-(2 G48 O3')  65.0 105.0
 &rst     iat =    47,    50,    70,    86,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 3 C5L DELTA:  (3 C5L C5')-(3 C5L C4')-(3 C5L C3')-(3 C5L O3')  65.0 105.0
 &rst     iat =    91,    94,   114,   130,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 4 G48 DELTA:  (4 G48 C5')-(4 G48 C4')-(4 G48 C3')-(4 G48 O3')  65.0 105.0
 &rst     iat =   135,   138,   158,   174,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 5 A44 DELTA:  (5 A44 C5')-(5 A44 C4')-(5 A44 C3')-(5 A44 O3')  65.0 105.0
 &rst     iat =   179,   182,   201,   217,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 6 A44 DELTA:  (6 A44 C5')-(6 A44 C4')-(6 A44 C3')-(6 A44 O3')  65.0 105.0
 &rst     iat =   222,   225,   244,   260,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 7 T39 DELTA:  (7 T39 C5')-(7 T39 C4')-(7 T39 C3')-(7 T39 O3')  65.0 105.0
 &rst     iat =   265,   268,   287,   303,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 8 T39 DELTA:  (8 T39 C5')-(8 T39 C4')-(8 T39 C3')-(8 T39 O3')  65.0 105.0
 &rst     iat =   308,   311,   330,   346,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 9 C5L DELTA:  (9 C5L C5')-(9 C5L C4')-(9 C5L C3')-(9 C5L O3')  65.0 105.0
 &rst     iat =   351,   354,   374,   390,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 10 G48 DELTA:  (10 G48 C5')-(10 G48 C4')-(10 G48 C3')-(10 G48 O3')  65.0 105.0
 &rst     iat =   395,   398,   418,   434,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 11 C5L DELTA:  (11 C5L C5')-(11 C5L C4')-(11 C5L C3')-(11 C5L O3')  65.0 105.0
 &rst     iat =   439,   442,   462,   478,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 12 DG DELTA:  (12 DG C5')-(12 DG C4')-(12 DG C3')-(12 DG O3')  65.0 180.0
 &rst     iat =   483,   486,   506,   511,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end
#
# 13 C5L DELTA:  (13 C5L C5')-(13 C5L C4')-(13 C5L C3')-(13 C5L O3')  65.0 105.0
 &rst     iat =   515,   518,   538,   554,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 14 G48 DELTA:  (14 G48 C5')-(14 G48 C4')-(14 G48 C3')-(14 G48 O3')  65.0 105.0
 &rst     iat =   559,   562,   582,   598,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 15 C5L DELTA:  (15 C5L C5')-(15 C5L C4')-(15 C5L C3')-(15 C5L O3')  65.0 105.0
 &rst     iat =   603,   606,   626,   642,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 16 G48 DELTA:  (16 G48 C5')-(16 G48 C4')-(16 G48 C3')-(16 G48 O3')  65.0 105.0
 &rst     iat =   647,   650,   670,   686,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 17 A44 DELTA:  (17 A44 C5')-(17 A44 C4')-(17 A44 C3')-(17 A44 O3')  65.0 105.0
 &rst     iat =   691,   694,   713,   729,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 18 A44 DELTA:  (18 A44 C5')-(18 A44 C4')-(18 A44 C3')-(18 A44 O3')  65.0 105.0
 &rst     iat =   734,   737,   756,   772,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 19 T39 DELTA:  (19 T39 C5')-(19 T39 C4')-(19 T39 C3')-(19 T39 O3')  65.0 105.0
 &rst     iat =   777,   780,   799,   815,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 20 T39 DELTA:  (20 T39 C5')-(20 T39 C4')-(20 T39 C3')-(20 T39 O3')  65.0 105.0
 &rst     iat =   820,   823,   842,   858,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 21 C5L DELTA:  (21 C5L C5')-(21 C5L C4')-(21 C5L C3')-(21 C5L O3')  65.0 105.0
 &rst     iat =   863,   866,   886,   902,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 22 G48 DELTA:  (22 G48 C5')-(22 G48 C4')-(22 G48 C3')-(22 G48 O3')  65.0 105.0
 &rst     iat =   907,   910,   930,   946,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 23 C5L DELTA:  (23 C5L C5')-(23 C5L C4')-(23 C5L C3')-(23 C5L O3')  65.0 105.0
 &rst     iat =   951,   954,   974,   990,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end
#
# 24 DG DELTA:  (24 DG C5')-(24 DG C4')-(24 DG C3')-(24 DG O3')  65.0 180.0
 &rst     iat =   995,   998,  1018,  1023,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end
#
# 1 C5L CHI:  (1 C5L O4')-(1 C5L C1')-(1 C5L N1)-(1 C5L C2) -210.0 -30.0
 &rst     iat =     8,     9,    11,    24,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 2 G48 CHI:  (2 G48 O4')-(2 G48 C1')-(2 G48 N9)-(2 G48 C4) -210.0 -30.0
 &rst     iat =    52,    53,    55,    69,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 3 C5L CHI:  (3 C5L O4')-(3 C5L C1')-(3 C5L N1)-(3 C5L C2) -210.0 -30.0
 &rst     iat =    96,    97,    99,   112,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 4 G48 CHI:  (4 G48 O4')-(4 G48 C1')-(4 G48 N9)-(4 G48 C4) -210.0 -30.0
 &rst     iat =   140,   141,   143,   157,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 5 A44 CHI:  (5 A44 O4')-(5 A44 C1')-(5 A44 N9)-(5 A44 C4) -210.0 -30.0
 &rst     iat =   184,   185,   187,   200,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 6 A44 CHI:  (6 A44 O4')-(6 A44 C1')-(6 A44 N9)-(6 A44 C4) -210.0 -30.0
 &rst     iat =   227,   228,   230,   243,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 7 T39 CHI:  (7 T39 O4')-(7 T39 C1')-(7 T39 N1)-(7 T39 C2) -210.0 -30.0
 &rst     iat =   270,   271,   273,   285,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 8 T39 CHI:  (8 T39 O4')-(8 T39 C1')-(8 T39 N1)-(8 T39 C2) -210.0 -30.0
 &rst     iat =   313,   314,   316,   328,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 9 C5L CHI:  (9 C5L O4')-(9 C5L C1')-(9 C5L N1)-(9 C5L C2) -210.0 -30.0
 &rst     iat =   356,   357,   359,   372,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 10 G48 CHI:  (10 G48 O4')-(10 G48 C1')-(10 G48 N9)-(10 G48 C4) -210.0 -30.0
 &rst     iat =   400,   401,   403,   417,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 11 C5L CHI:  (11 C5L O4')-(11 C5L C1')-(11 C5L N1)-(11 C5L C2) -210.0 -30.0
 &rst     iat =   444,   445,   447,   460,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 12 DG CHI:  (12 DG O4')-(12 DG C1')-(12 DG N9)-(12 DG C4) -210.0 -30.0
 &rst     iat =   488,   489,   491,   505,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 13 C5L CHI:  (13 C5L O4')-(13 C5L C1')-(13 C5L N1)-(13 C5L C2) -210.0 -30.0
 &rst     iat =   520,   521,   523,   536,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 14 G48 CHI:  (14 G48 O4')-(14 G48 C1')-(14 G48 N9)-(14 G48 C4) -210.0 -30.0
 &rst     iat =   564,   565,   567,   581,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 15 C5L CHI:  (15 C5L O4')-(15 C5L C1')-(15 C5L N1)-(15 C5L C2) -210.0 -30.0
 &rst     iat =   608,   609,   611,   624,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 16 G48 CHI:  (16 G48 O4')-(16 G48 C1')-(16 G48 N9)-(16 G48 C4) -210.0 -30.0
 &rst     iat =   652,   653,   655,   669,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 17 A44 CHI:  (17 A44 O4')-(17 A44 C1')-(17 A44 N9)-(17 A44 C4) -210.0 -30.0
 &rst     iat =   696,   697,   699,   712,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 18 A44 CHI:  (18 A44 O4')-(18 A44 C1')-(18 A44 N9)-(18 A44 C4) -210.0 -30.0
 &rst     iat =   739,   740,   742,   755,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 19 T39 CHI:  (19 T39 O4')-(19 T39 C1')-(19 T39 N1)-(19 T39 C2) -210.0 -30.0
 &rst     iat =   782,   783,   785,   797,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 20 T39 CHI:  (20 T39 O4')-(20 T39 C1')-(20 T39 N1)-(20 T39 C2) -210.0 -30.0
 &rst     iat =   825,   826,   828,   840,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 21 C5L CHI:  (21 C5L O4')-(21 C5L C1')-(21 C5L N1)-(21 C5L C2) -210.0 -30.0
 &rst     iat =   868,   869,   871,   884,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 22 G48 CHI:  (22 G48 O4')-(22 G48 C1')-(22 G48 N9)-(22 G48 C4) -210.0 -30.0
 &rst     iat =   912,   913,   915,   929,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 23 C5L CHI:  (23 C5L O4')-(23 C5L C1')-(23 C5L N1)-(23 C5L C2) -210.0 -30.0
 &rst     iat =   956,   957,   959,   972,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 24 DG CHI:  (24 DG O4')-(24 DG C1')-(24 DG N9)-(24 DG C4) -210.0 -30.0
 &rst     iat =  1000,  1001,  1003,  1017,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
#
# 24 DG CHI:  (24 DG O4')-(24 DG C1')-(24 DG N9)-(24 DG C4) -210.0 -30.0
 &rst     iat =  1000,  1001,  1003,  1017,
   r1 = -211.0, r2 = -210.0, r3 = -30.0, r4 = -29.0,
 &end
##


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, April 30, 2024 6:57:23 PM GMT (wattos1)