NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608148 |
5hqf   |
30015 | cing | 1-original | 2 | AMBER | dihedral angle |
# WC - angles
#
#
#(1 DC C4)-(1 DC N4)-(22 DG O6)-(22 DG C6) -10.0 10.0
&rst iat = 16, 17, 667, 666,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 50.0, rk3 = 50.0, /
#(1 DC C2)-(1 DC N3)-(22 DG N1)-(22 DG C2) -10.0 10.0
&rst iat = 21, 20, 668, 670,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(1 DC C2)-(1 DC O2)-(22 DG N2)-(22 DG C2) -10.0 10.0
&rst iat = 21, 22, 671, 670,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(11 DC C4)-(11 DC N4)-(12 DG O6)-(12 DG C6) -10.0 10.0
&rst iat = 314, 315, 344, 343,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(11 DC C2)-(11 DC N3)-(12 DG N1)-(12 DG C2) -10.0 10.0
&rst iat = 319, 318, 345, 347,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(11 DC C2)-(11 DC O2)-(12 DG N2)-(12 DG C2) -10.0 10.0
&rst iat = 319, 320, 348, 347,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(2 DG C6)-(2 DG 06)-(21 DC N4)-(21 DC C4) -10.0 10.0
&rst iat = 46, 47, 637, 636,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 32.0, rk3 = 32.0, /
#(2 DG C2)-(2 DG N1)-(21 DC N3)-(21 DC C2) -10.0 10.0
&rst iat = 50, 48, 640, 641,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(2 DG C2)-(2 DG N2)-(21 DC O2)-(21 DC C2) -10.0 10.0
&rst iat = 50, 51, 642, 641,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(4 DT C4)-(4 DT O4)-(19 DA N6)-(19 DA C6) -10.0 10.0
&rst iat = 112, 113, 571, 570,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(4 DT C2)-(4 DT N3)-(19 DA N1)-(19 DA C2) -10.0 10.0
&rst iat = 116, 114, 574, 575,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(15 DT C4)-(15 DT O4)-(8 DA N6)-(8 DA C6) -10.0 10.0
&rst iat = 442, 443, 220, 219,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(15 DT C2)-(15 DT N3)-(8 DA N1)-(8 DA C2) -10.0 10.0
&rst iat = 446, 444, 223, 224,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(9 DC C4)-(9 DC N4)-(14 DG O6)-(14 DG C6) -10.0 10.0
&rst iat = 251, 252, 407, 406,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(9 DC C2)-(9 DC N3)-(14 DG N1)-(14 DG C2) -10.0 10.0
&rst iat = 256, 255, 408, 410,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(9 DC C2)-(9 DC O2)-(14 DG N2)-(14 DG C2) -10.0 10.0
&rst iat = 256, 257, 411, 410,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(10 DG C6)-(10 DG 06)-(13 DC N4)-(13 DC C4) -10.0 10.0
&rst iat = 281, 282, 377, 376,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(10 DG C2)-(10 DG N1)-(13 DC N3)-(13 DC C2) -10.0 10.0
&rst iat = 285, 289, 380, 381,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(10 DG C2)-(10 DG N2)-(13 DC O2)-(13 DC C2) -10.0 10.0
&rst iat = 285, 286, 382, 381,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#
#
# P values
#
# 682 atoms read from pdb file ./RIBONO-LIBRARY/ribonoG20RMN2.pdb.
# 1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -50.2 -20.2
&rst iat = 6, 8, 9, 25,
r1 = -51.2, r2 = -50.2, r3 = -20.2, r4 = -19.2,
rk2 = 32.0, rk3 = 32.0, &end
# 1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') 5.7 35.7
&rst iat = 8, 9, 25, 23,
r1 = 4.7, r2 = 5.7, r3 = 35.7, r4 = 36.7,
&end
# 1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -13.4 16.6
&rst iat = 9, 25, 23, 6,
r1 = -14.4, r2 = -13.4, r3 = 16.6, r4 = 17.6,
&end
# 1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -38.4 -8.4
&rst iat = 25, 23, 6, 8,
r1 = -39.4, r2 = -38.4, r3 = -8.4, r4 = -7.4,
&end
# 1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') 21.2 51.2
&rst iat = 23, 6, 8, 9,
r1 = 20.2, r2 = 21.2, r3 = 51.2, r4 = 52.2,
&end
# 2 GUA NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -44.7 -14.7
&rst iat = 36, 38, 39, 58,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 2 GUA NU1: (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3') 15.6 45.6
&rst iat = 38, 39, 58, 56,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 2 GUA NU2: (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -37.2 0.0
&rst iat = 39, 58, 56, 36,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 2 GUA NU3: (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4') -22.6 24.2
&rst iat = 58, 56, 36, 38,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 2 GUA NU4: (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -1.9 36.6
&rst iat = 56, 36, 38, 39,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 3 CYT NU0: (3 DC C4')-(3 DC O4')-(3 DC C1')-(3 DC C2') -50.2 -20.2
&rst iat = 69, 71, 72, 88,
r1 = -51.2, r2 = -50.2, r3 = -20.2, r4 = -19.2,
&end
# 3 CYT NU1: (3 DC O4')-(3 DC C1')-(3 DC C2')-(3 DC C3') 5.7 35.7
&rst iat = 71, 72, 88, 86,
r1 = 4.7, r2 = 5.7, r3 = 35.7, r4 = 36.7,
&end
# 3 CYT NU2: (3 DC C1')-(3 DC C2')-(3 DC C3')-(3 DC C4') -13.4 16.6
&rst iat = 72, 88, 86, 69,
r1 = -14.4, r2 = -13.4, r3 = 16.6, r4 = 17.6,
&end
# 3 CYT NU3: (3 DC C2')-(3 DC C3')-(3 DC C4')-(3 DC O4') -38.4 -8.4
&rst iat = 88, 86, 69, 71,
r1 = -39.4, r2 = -38.4, r3 = -8.4, r4 = -7.4,
&end
# 3 CYT NU4: (3 DC C3')-(3 DC C4')-(3 DC O4')-(3 DC C1') 21.2 51.2
&rst iat = 86, 69, 71, 72,
r1 = 20.2, r2 = 21.2, r3 = 51.2, r4 = 52.2,
&end
# 4 THY NU0: (4 DT C4')-(4 DT O4')-(4 DT C1')-(4 DT C2') -50.4 -20.4
&rst iat = 99, 101, 102, 120,
r1 = -51.4, r2 = -50.4, r3 = -20.4, r4 = -19.4,
&end
# 4 THY NU1: (4 DT O4')-(4 DT C1')-(4 DT C2')-(4 DT C3') 8.7 38.7
&rst iat = 101, 102, 120, 118,
r1 = 7.7, r2 = 8.7, r3 = 38.7, r4 = 39.7,
&end
# 4 THY NU2: (4 DT C1')-(4 DT C2')-(4 DT C3')-(4 DT C4') -18.2 11.8
&rst iat = 102, 120, 118, 99,
r1 = -19.2, r2 = -18.2, r3 = 11.8, r4 = 12.8,
&end
# 4 THY NU3: (4 DT C2')-(4 DT C3')-(4 DT C4')-(4 DT O4') -33.6 -3.6
&rst iat = 120, 118, 99, 101,
r1 = -34.6, r2 = -33.6, r3 = -3.6, r4 = -2.6,
&end
# 4 THY NU4: (4 DT C3')-(4 DT C4')-(4 DT O4')-(4 DT C1') 18.3 48.3
&rst iat = 118, 99, 101, 102,
r1 = 17.3, r2 = 18.3, r3 = 48.3, r4 = 49.3,
&end
# 5 CYT NU0: (5 DC C4')-(5 DC O4')-(5 DC C1')-(5 DC C2') -50.2 -20.2
&rst iat = 131, 133, 134, 150,
r1 = -51.2, r2 = -50.2, r3 = -20.2, r4 = -19.2,
&end
# 5 CYT NU1: (5 DC O4')-(5 DC C1')-(5 DC C2')-(5 DC C3') 5.7 35.7
&rst iat = 133, 134, 150, 148,
r1 = 4.7, r2 = 5.7, r3 = 35.7, r4 = 36.7,
&end
# 5 CYT NU2: (5 DC C1')-(5 DC C2')-(5 DC C3')-(5 DC C4') -13.4 16.6
&rst iat = 134, 150, 148, 131,
r1 = -14.4, r2 = -13.4, r3 = 16.6, r4 = 17.6,
&end
# 5 CYT NU3: (5 DC C2')-(5 DC C3')-(5 DC C4')-(5 DC O4') -38.4 -8.4
&rst iat = 150, 148, 131, 133,
r1 = -39.4, r2 = -38.4, r3 = -8.4, r4 = -7.4,
&end
# 5 CYT NU4: (5 DC C3')-(5 DC C4')-(5 DC O4')-(5 DC C1') 21.2 51.2
&rst iat = 148, 131, 133, 134,
r1 = 20.2, r2 = 21.2, r3 = 51.2, r4 = 52.2,
&end
# 7 CYT NU0: (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -50.4 -20.4
&rst iat = 179, 181, 182, 198,
r1 = -51.4, r2 = -50.4, r3 = -20.4, r4 = -19.4,
&end
# 7 CYT NU1: (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') 10.1 40.1
&rst iat = 181, 182, 198, 196,
r1 = 9.1, r2 = 10.1, r3 = 40.1, r4 = 41.1,
&end
# 7 CYT NU2: (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') -22.1 10.0
&rst iat = 182, 198, 196, 179,
r1 = -23.1, r2 = -22.1, r3 = 10.0, r4 = 11.0,
&end
# 7 CYT NU3: (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -30.3 -0.3
&rst iat = 198, 196, 179, 181,
r1 = -31.3, r2 = -30.3, r3 = -0.3, r4 = 0.7,
&end
# 7 CYT NU4: (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') 15.8 45.8
&rst iat = 196, 179, 181, 182,
r1 = 14.8, r2 = 15.8, r3 = 45.8, r4 = 46.8,
&end
# 8 ADE NU0: (8 DA C4')-(8 DA O4')-(8 DA C1')-(8 DA C2') -44.7 -14.7
&rst iat = 209, 211, 212, 230,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 8 ADE NU1: (8 DA O4')-(8 DA C1')-(8 DA C2')-(8 DA C3') 18.1 48.1
&rst iat = 211, 212, 230, 228,
r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1,
&end
# 8 ADE NU2: (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -37.2 -6.7
&rst iat = 212, 230, 228, 209,
r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7,
&end
# 8 ADE NU3: (8 DA C2')-(8 DA C3')-(8 DA C4')-(8 DA O4') -16.9 24.2
&rst iat = 230, 228, 209, 211,
r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2,
&end
# 8 ADE NU4: (8 DA C3')-(8 DA C4')-(8 DA O4')-(8 DA C1') -1.9 34.0
&rst iat = 228, 209, 211, 212,
r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0,
&end
# 9 CYT NU0: (9 DC C4')-(9 DC O4')-(9 DC C1')-(9 DC C2') -50.2 -20.2
&rst iat = 241, 243, 244, 260,
r1 = -51.2, r2 = -50.2, r3 = -20.2, r4 = -19.2,
&end
# 9 CYT NU1: (9 DC O4')-(9 DC C1')-(9 DC C2')-(9 DC C3') 5.7 35.7
&rst iat = 243, 244, 260, 258,
r1 = 4.7, r2 = 5.7, r3 = 35.7, r4 = 36.7,
&end
# 9 CYT NU2: (9 DC C1')-(9 DC C2')-(9 DC C3')-(9 DC C4') -13.4 16.6
&rst iat = 244, 260, 258, 241,
r1 = -14.4, r2 = -13.4, r3 = 16.6, r4 = 17.6,
&end
# 9 CYT NU3: (9 DC C2')-(9 DC C3')-(9 DC C4')-(9 DC O4') -38.4 -8.4
&rst iat = 260, 258, 241, 243,
r1 = -39.4, r2 = -38.4, r3 = -8.4, r4 = -7.4,
&end
# 9 CYT NU4: (9 DC C3')-(9 DC C4')-(9 DC O4')-(9 DC C1') 21.2 51.2
&rst iat = 258, 241, 243, 244,
r1 = 20.2, r2 = 21.2, r3 = 51.2, r4 = 52.2,
&end
# 10 GUA NU0: (10 DG C4')-(10 DG O4')-(10 DG C1')-(10 DG C2') -44.7 -14.7
&rst iat = 271, 273, 274, 293,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 10 GUA NU1: (10 DG O4')-(10 DG C1')-(10 DG C2')-(10 DG C3') 18.1 48.1
&rst iat = 273, 274, 293, 291,
r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1,
&end
# 10 GUA NU2: (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -37.2 -6.7
&rst iat = 274, 293, 291, 271,
r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7,
&end
# 10 GUA NU3: (10 DG C2')-(10 DG C3')-(10 DG C4')-(10 DG O4') -16.9 24.2
&rst iat = 293, 291, 271, 273,
r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2,
&end
# 10 GUA NU4: (10 DG C3')-(10 DG C4')-(10 DG O4')-(10 DG C1') -1.9 34.0
&rst iat = 291, 271, 273, 274,
r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0,
&end
# 11 CYT NU0: (11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2') -44.7 -14.7
&rst iat = 304, 306, 307, 323,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 11 CYT NU1: (11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3') 11.1 41.1
&rst iat = 306, 307, 323, 321,
r1 = 10.1, r2 = 11.1, r3 = 41.1, r4 = 42.1,
&end
# 11 CYT NU2: (11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4') -37.2 10.0
&rst iat = 307, 323, 321, 304,
r1 = -38.2, r2 = -37.2, r3 = 10.0, r4 = 11.0,
&end
# 11 CYT NU3: (11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4') -29.9 24.2
&rst iat = 323, 321, 304, 306,
r1 = -30.9, r2 = -29.9, r3 = 24.2, r4 = 25.2,
&end
# 11 CYT NU4: (11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1') -1.9 38.4
&rst iat = 321, 304, 306, 307,
r1 = -2.9, r2 = -1.9, r3 = 38.4, r4 = 39.4,
&end
# 12 GUA NU0: (12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2') -52.7 -22.7
&rst iat = 333, 335, 336, 355,
r1 = -53.7, r2 = -52.7, r3 = -22.7, r4 = -21.7,
&end
# 12 GUA NU1: (12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3') 17.0 47.0
&rst iat = 335, 336, 355, 353,
r1 = 16.0, r2 = 17.0, r3 = 47.0, r4 = 48.0,
&end
# 12 GUA NU2: (12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4') -29.4 0.6
&rst iat = 336, 355, 353, 333,
r1 = -30.4, r2 = -29.4, r3 = 0.6, r4 = 1.6,
&end
# 12 GUA NU3: (12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4') -23.8 6.2
&rst iat = 355, 353, 333, 335,
r1 = -24.8, r2 = -23.8, r3 = 6.2, r4 = 7.2,
&end
# 12 GUA NU4: (12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1') 13.6 43.6
&rst iat = 353, 333, 335, 336,
r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6,
&end
# 13 CYT NU0: (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -43.9 -13.9
&rst iat = 366, 368, 369, 385,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 13 CYT NU1: (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3') 22.2 52.2
&rst iat = 368, 369, 385, 383,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 13 CYT NU2: (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -44.6 -14.6
&rst iat = 369, 385, 383, 366,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 13 CYT NU3: (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4') -3.2 26.8
&rst iat = 385, 383, 366, 368,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 13 CYT NU4: (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -4.4 25.6
&rst iat = 383, 366, 368, 369,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 14 GUA NU0: (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -43.9 -13.9
&rst iat = 396, 398, 399, 418,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 14 GUA NU1: (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3') 22.2 52.2
&rst iat = 398, 399, 418, 416,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 14 GUA NU2: (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -44.6 -14.6
&rst iat = 399, 418, 416, 396,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 14 GUA NU3: (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4') -3.2 26.8
&rst iat = 418, 416, 396, 398,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 14 GUA NU4: (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -4.4 25.6
&rst iat = 416, 396, 398, 399,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 15 THY NU0: (15 DT C4')-(15 DT O4')-(15 DT C1')-(15 DT C2') -50.2 -20.2
&rst iat = 429, 431, 432, 450,
r1 = -51.2, r2 = -50.2, r3 = -20.2, r4 = -19.2,
&end
# 15 THY NU1: (15 DT O4')-(15 DT C1')-(15 DT C2')-(15 DT C3') 5.7 35.7
&rst iat = 431, 432, 450, 448,
r1 = 4.7, r2 = 5.7, r3 = 35.7, r4 = 36.7,
&end
# 15 THY NU2: (15 DT C1')-(15 DT C2')-(15 DT C3')-(15 DT C4') -13.4 16.6
&rst iat = 432, 450, 448, 429,
r1 = -14.4, r2 = -13.4, r3 = 16.6, r4 = 17.6,
&end
# 15 THY NU3: (15 DT C2')-(15 DT C3')-(15 DT C4')-(15 DT O4') -38.4 -8.4
&rst iat = 450, 448, 429, 431,
r1 = -39.4, r2 = -38.4, r3 = -8.4, r4 = -7.4,
&end
# 15 THY NU4: (15 DT C3')-(15 DT C4')-(15 DT O4')-(15 DT C1') 21.2 51.2
&rst iat = 448, 429, 431, 432,
r1 = 20.2, r2 = 21.2, r3 = 51.2, r4 = 52.2,
&end
# 16 GUA NU0: (16 DG C4')-(16 DG O4')-(16 DG C1')-(16 DG C2') -43.9 -13.9
&rst iat = 461, 463, 464, 483,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 16 GUA NU1: (16 DG O4')-(16 DG C1')-(16 DG C2')-(16 DG C3') 22.2 52.2
&rst iat = 463, 464, 483, 481,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 16 GUA NU2: (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -44.6 -14.6
&rst iat = 464, 483, 481, 461,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 16 GUA NU3: (16 DG C2')-(16 DG C3')-(16 DG C4')-(16 DG O4') -3.2 26.8
&rst iat = 483, 481, 461, 463,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 16 GUA NU4: (16 DG C3')-(16 DG C4')-(16 DG O4')-(16 DG C1') -4.4 25.6
&rst iat = 481, 461, 463, 464,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 17 GUA NU0: (17 DG C4')-(17 DG O4')-(17 DG C1')-(17 DG C2') -43.9 -13.9
&rst iat = 494, 496, 497, 516,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 17 GUA NU1: (17 DG O4')-(17 DG C1')-(17 DG C2')-(17 DG C3') 22.2 52.2
&rst iat = 496, 497, 516, 514,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 17 GUA NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -44.6 -14.6
&rst iat = 497, 516, 514, 494,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 17 GUA NU3: (17 DG C2')-(17 DG C3')-(17 DG C4')-(17 DG O4') -3.2 26.8
&rst iat = 516, 514, 494, 496,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 17 GUA NU4: (17 DG C3')-(17 DG C4')-(17 DG O4')-(17 DG C1') -4.4 25.6
&rst iat = 514, 494, 496, 497,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 18 GUA NU0: (18 DG C4')-(18 DG O4')-(18 DG C1')-(18 DG C2') -43.9 -13.9
&rst iat = 527, 529, 530, 549,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 18 GUA NU1: (18 DG O4')-(18 DG C1')-(18 DG C2')-(18 DG C3') 22.2 52.2
&rst iat = 529, 530, 549, 547,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 18 GUA NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -44.6 -14.6
&rst iat = 530, 549, 547, 527,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 18 GUA NU3: (18 DG C2')-(18 DG C3')-(18 DG C4')-(18 DG O4') -3.2 26.8
&rst iat = 549, 547, 527, 529,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 18 GUA NU4: (18 DG C3')-(18 DG C4')-(18 DG O4')-(18 DG C1') -4.4 25.6
&rst iat = 547, 527, 529, 530,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 19 ADE NU0: (19 DA C4')-(19 DA O4')-(19 DA C1')-(19 DA C2') -43.9 -13.9
&rst iat = 560, 562, 563, 581,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 19 ADE NU1: (19 DA O4')-(19 DA C1')-(19 DA C2')-(19 DA C3') 22.2 52.2
&rst iat = 562, 563, 581, 579,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 19 ADE NU2: (19 DA C1')-(19 DA C2')-(19 DA C3')-(19 DA C4') -44.6 -14.6
&rst iat = 563, 581, 579, 560,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 19 ADE NU3: (19 DA C2')-(19 DA C3')-(19 DA C4')-(19 DA O4') -3.2 26.8
&rst iat = 581, 579, 560, 562,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 19 ADE NU4: (19 DA C3')-(19 DA C4')-(19 DA O4')-(19 DA C1') -4.4 25.6
&rst iat = 579, 560, 562, 563,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 20 8OG NU0: (20 DG C4')-(20 DG O4')-(20 DG C1')-(20 DG C2') -43.9 -13.9
&rst iat = 592, 594, 595, 615,
r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
&end
# 20 8OG NU1: (20 DG O4')-(20 DG C1')-(20 DG C2')-(20 DG C3') 22.2 52.2
&rst iat = 594, 595, 615, 613,
r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2,
&end
# 20 8OG NU2: (20 DG C1')-(20 DG C2')-(20 DG C3')-(20 DG C4') -44.6 -14.6
&rst iat = 595, 615, 613, 592,
r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6,
&end
# 20 8OG NU3: (20 DG C2')-(20 DG C3')-(20 DG C4')-(20 DG O4') -3.2 26.8
&rst iat = 615, 613, 592, 594,
r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8,
&end
# 20 8OG NU4: (20 DG C3')-(20 DG C4')-(20 DG O4')-(20 DG C1') -4.4 25.6
&rst iat = 613, 592, 594, 595,
r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6,
&end
# 21 CYT NU0: (21 DC C4')-(21 DC O4')-(21 DC C1')-(21 DC C2') -52.7 -22.7
&rst iat = 626, 628, 629, 645,
r1 = -53.7, r2 = -52.7, r3 = -22.7, r4 = -21.7,
&end
# 21 CYT NU1: (21 DC O4')-(21 DC C1')-(21 DC C2')-(21 DC C3') 17.0 47.0
&rst iat = 628, 629, 645, 643,
r1 = 16.0, r2 = 17.0, r3 = 47.0, r4 = 48.0,
&end
# 21 CYT NU2: (21 DC C1')-(21 DC C2')-(21 DC C3')-(21 DC C4') -29.4 0.6
&rst iat = 629, 645, 643, 626,
r1 = -30.4, r2 = -29.4, r3 = 0.6, r4 = 1.6,
&end
# 21 CYT NU3: (21 DC C2')-(21 DC C3')-(21 DC C4')-(21 DC O4') -23.8 6.2
&rst iat = 645, 643, 626, 628,
r1 = -24.8, r2 = -23.8, r3 = 6.2, r4 = 7.2,
&end
# 21 CYT NU4: (21 DC C3')-(21 DC C4')-(21 DC O4')-(21 DC C1') 13.6 43.6
&rst iat = 643, 626, 628, 629,
r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6,
&end
# 22 GUA NU0: (22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2') -52.4 -22.4
&rst iat = 656, 658, 659, 678,
r1 = -53.4, r2 = -52.4, r3 = -22.4, r4 = -21.4,
&end
# 22 GUA NU1: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3') 10.2 40.2
&rst iat = 658, 659, 678, 676,
r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2,
&end
# 22 GUA NU2: (22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4') -18.3 11.7
&rst iat = 659, 678, 676, 656,
r1 = -19.3, r2 = -18.3, r3 = 11.7, r4 = 12.7,
&end
# 22 GUA NU3: (22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4') -34.8 -4.8
&rst iat = 678, 676, 656, 658,
r1 = -35.8, r2 = -34.8, r3 = -4.8, r4 = -3.8,
&end
# 22 GUA NU4: (22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1') 20.3 50.3
&rst iat = 676, 656, 658, 659,
r1 = 19.3, r2 = 20.3, r3 = 50.3, r4 = 51.3,
&end
#
# Backbone
#
#
# 682 atoms read from pdb file ./RIBONO-LIBRARY/ribonoG20RMN2.pdb.
# 2 GUA ALPHA: (1 DC5 O3')-(2 DG P)-(2 DG O5')-(2 DG C5') -90.0 -30.0
&rst iat = 28, 29, 32, 33,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 15.0, rk3 = 15.0, &end
# 3 CYT ALPHA: (2 DG O3')-(3 DC P)-(3 DC O5')-(3 DC C5') -90.0 -30.0
&rst iat = 61, 62, 65, 66,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 4 THY ALPHA: (3 DC O3')-(4 DT P)-(4 DT O5')-(4 DT C5') -90.0 -30.0
&rst iat = 91, 92, 95, 96,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 5 CYT ALPHA: (4 DT O3')-(5 DC P)-(5 DC O5')-(5 DC C5') -90.0 -30.0
&rst iat = 123, 124, 127, 128,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 7 CYT ALPHA: (6 DC O3')-(7 DC P)-(7 DC O5')-(7 DC C5') -90.0 -30.0
&rst iat = 154, 172, 175, 176,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 8 ADE ALPHA: (7 DC O3')-(8 DA P)-(8 DA O5')-(8 DA C5') -90.0 -30.0
&rst iat = 201, 202, 205, 206,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 9 CYT ALPHA: (8 DA O3')-(9 DC P)-(9 DC O5')-(9 DC C5') -90.0 -30.0
&rst iat = 233, 234, 237, 238,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 10 GUA ALPHA: (9 DC O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -90.0 -30.0
&rst iat = 263, 264, 267, 268,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 11 CYT ALPHA: (10 DG O3')-(11 DC3 P)-(11 DC3 O5')-(11 DC3 C5') -90.0 -30.0
&rst iat = 296, 297, 300, 301,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 2 GUA BETA: (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4') 90.0 240.0
&rst iat = 29, 32, 33, 36,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 3 CYT BETA: (3 DC P)-(3 DC O5')-(3 DC C5')-(3 DC C4') 90.0 240.0
&rst iat = 62, 65, 66, 69,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 4 THY BETA: (4 DT P)-(4 DT O5')-(4 DT C5')-(4 DT C4') 90.0 240.0
&rst iat = 92, 95, 96, 99,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 5 CYT BETA: (5 DC P)-(5 DC O5')-(5 DC C5')-(5 DC C4') 90.0 240.0
&rst iat = 124, 127, 128, 131,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 7 CYT BETA: (7 DC P)-(7 DC O5')-(7 DC C5')-(7 DC C4') 90.0 240.0
&rst iat = 172, 175, 176, 179,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 8 ADE BETA: (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') 90.0 240.0
&rst iat = 202, 205, 206, 209,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 9 CYT BETA: (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') 90.0 240.0
&rst iat = 234, 237, 238, 241,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 10 GUA BETA: (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4') 90.0 240.0
&rst iat = 264, 267, 268, 271,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 11 CYT BETA: (11 DC3 P)-(11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4') 90.0 240.0
&rst iat = 297, 300, 301, 304,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 2 GUA GAMMA: (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3') 0.0 120.0
&rst iat = 32, 33, 36, 56,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 3 CYT GAMMA: (3 DC O5')-(3 DC C5')-(3 DC C4')-(3 DC C3') 0.0 120.0
&rst iat = 65, 66, 69, 86,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 4 THY GAMMA: (4 DT O5')-(4 DT C5')-(4 DT C4')-(4 DT C3') 0.0 120.0
&rst iat = 95, 96, 99, 118,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 5 CYT GAMMA: (5 DC O5')-(5 DC C5')-(5 DC C4')-(5 DC C3') 0.0 120.0
&rst iat = 127, 128, 131, 148,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 7 CYT GAMMA: (7 DC O5')-(7 DC C5')-(7 DC C4')-(7 DC C3') 0.0 120.0
&rst iat = 175, 176, 179, 196,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 8 ADE GAMMA: (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3') 0.0 120.0
&rst iat = 205, 206, 209, 228,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 0.0 120.0
&rst iat = 237, 238, 241, 258,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 10 GUA GAMMA: (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3') 0.0 120.0
&rst iat = 267, 268, 271, 291,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 11 CYT GAMMA: (11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4')-(11 DC3 C3') 0.0 120.0
&rst iat = 300, 301, 304, 321,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DG P) -240.0 10.0
&rst iat = 6, 23, 28, 29,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 2 GUA EPSILN: (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DC P) -240.0 10.0
&rst iat = 36, 56, 61, 62,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 3 CYT EPSILN: (3 DC C4')-(3 DC C3')-(3 DC O3')-(4 DT P) -240.0 10.0
&rst iat = 69, 86, 91, 92,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 4 THY EPSILN: (4 DT C4')-(4 DT C3')-(4 DT O3')-(5 DC P) -240.0 10.0
&rst iat = 99, 118, 123, 124,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 5 CYT EPSILN: (5 DC C4')-(5 DC C3')-(5 DC O3')-(6 DC P) -240.0 10.0
&rst iat = 131, 148, 153, 155,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 7 CYT EPSILN: (7 DC C4')-(7 DC C3')-(7 DC O3')-(8 DA P) -240.0 10.0
&rst iat = 179, 196, 201, 202,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 8 ADE EPSILN: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) -240.0 10.0
&rst iat = 209, 228, 233, 234,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 9 CYT EPSILN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DG P) -240.0 10.0
&rst iat = 241, 258, 263, 264,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 10 GUA EPSILN: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DC3 P) -240.0 10.0
&rst iat = 271, 291, 296, 297,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DG P)-(2 DG O5') 150.0 315.0
&rst iat = 23, 28, 29, 32,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 2 GUA ZETA: (2 DG C3')-(2 DG O3')-(3 DC P)-(3 DC O5') 150.0 315.0
&rst iat = 56, 61, 62, 65,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 3 CYT ZETA: (3 DC C3')-(3 DC O3')-(4 DT P)-(4 DT O5') 150.0 315.0
&rst iat = 86, 91, 92, 95,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 4 THY ZETA: (4 DT C3')-(4 DT O3')-(5 DC P)-(5 DC O5') 150.0 315.0
&rst iat = 118, 123, 124, 127,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 5 CYT ZETA: (5 DC C3')-(5 DC O3')-(6 DC P)-(6 DC O5') 150.0 315.0
&rst iat = 148, 153, 155, 158,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 7 CYT ZETA: (7 DC C3')-(7 DC O3')-(8 DA P)-(8 DA O5') 150.0 315.0
&rst iat = 196, 201, 202, 205,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 8 ADE ZETA: (8 DA C3')-(8 DA O3')-(9 DC P)-(9 DC O5') 150.0 315.0
&rst iat = 228, 233, 234, 237,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 9 CYT ZETA: (9 DC C3')-(9 DC O3')-(10 DG P)-(10 DG O5') 150.0 315.0
&rst iat = 258, 263, 264, 267,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 10 GUA ZETA: (10 DG C3')-(10 DG O3')-(11 DC3 P)-(11 DC3 O5') 150.0 315.0
&rst iat = 291, 296, 297, 300,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 13 CYT ALPHA: (12 DG5 O3')-(13 DC P)-(13 DC O5')-(13 DC C5') -90.0 -30.0
&rst iat = 358, 359, 362, 363,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 14 GUA ALPHA: (13 DC O3')-(14 DG P)-(14 DG O5')-(14 DG C5') -90.0 -30.0
&rst iat = 388, 389, 392, 393,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 15 THY ALPHA: (14 DG O3')-(15 DT P)-(15 DT O5')-(15 DT C5') -90.0 -30.0
&rst iat = 421, 422, 425, 426,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 16 GUA ALPHA: (15 DT O3')-(16 DG P)-(16 DG O5')-(16 DG C5') -90.0 -30.0
&rst iat = 453, 454, 457, 458,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 18 GUA ALPHA: (17 DG O3')-(18 DG P)-(18 DG O5')-(18 DG C5') -90.0 -30.0
&rst iat = 519, 520, 523, 524,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 19 ADE ALPHA: (18 DG O3')-(19 DA P)-(19 DA O5')-(19 DA C5') -90.0 -30.0
&rst iat = 552, 553, 556, 557,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 21 CYT ALPHA: (20 DG O3')-(21 DC P)-(21 DC O5')-(21 DC C5') -90.0 -30.0
&rst iat = 618, 619, 622, 623,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 22 GUA ALPHA: (21 DC O3')-(22 DG3 P)-(22 DG3 O5')-(22 DG3 C5') -90.0 -30.0
&rst iat = 648, 649, 652, 653,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 13 CYT BETA: (13 DC P)-(13 DC O5')-(13 DC C5')-(13 DC C4') 90.0 240.0
&rst iat = 359, 362, 363, 366,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 14 GUA BETA: (14 DG P)-(14 DG O5')-(14 DG C5')-(14 DG C4') 90.0 240.0
&rst iat = 389, 392, 393, 396,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 15 THY BETA: (15 DT P)-(15 DT O5')-(15 DT C5')-(15 DT C4') 90.0 240.0
&rst iat = 422, 425, 426, 429,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 16 GUA BETA: (16 DG P)-(16 DG O5')-(16 DG C5')-(16 DG C4') 90.0 240.0
&rst iat = 454, 457, 458, 461,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 18 GUA BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') 90.0 240.0
&rst iat = 520, 523, 524, 527,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 19 ADE BETA: (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4') 90.0 240.0
&rst iat = 553, 556, 557, 560,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 21 CYT BETA: (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') 90.0 240.0
&rst iat = 619, 622, 623, 626,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 22 GUA BETA: (22 DG3 P)-(22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4') 90.0 240.0
&rst iat = 649, 652, 653, 656,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
&end
# 12 GUA GAMMA: (12 DG5 O5')-(12 DG5 C5')-(12 DG5 C4')-(12 DG5 C3') 0.0 120.0
&rst iat = 329, 330, 333, 353,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 13 CYT GAMMA: (13 DC O5')-(13 DC C5')-(13 DC C4')-(13 DC C3') 0.0 120.0
&rst iat = 362, 363, 366, 383,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 14 GUA GAMMA: (14 DG O5')-(14 DG C5')-(14 DG C4')-(14 DG C3') 0.0 120.0
&rst iat = 392, 393, 396, 416,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 15 THY GAMMA: (15 DT O5')-(15 DT C5')-(15 DT C4')-(15 DT C3') 0.0 120.0
&rst iat = 425, 426, 429, 448,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 16 GUA GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 0.0 120.0
&rst iat = 457, 458, 461, 481,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 18 GUA GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 0.0 120.0
&rst iat = 523, 524, 527, 547,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 19 ADE GAMMA: (19 DA O5')-(19 DA C5')-(19 DA C4')-(19 DA C3') 0.0 120.0
&rst iat = 556, 557, 560, 579,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 21 CYT GAMMA: (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3') 0.0 120.0
&rst iat = 622, 623, 626, 643,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 22 GUA GAMMA: (22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4')-(22 DG3 C3') 0.0 120.0
&rst iat = 652, 653, 656, 676,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
&end
# 12 GUA EPSILN: (12 DG5 C4')-(12 DG5 C3')-(12 DG5 O3')-(13 DC P) -240.0 10.0
&rst iat = 333, 353, 358, 359,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 13 CYT EPSILN: (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DG P) -240.0 10.0
&rst iat = 366, 383, 388, 389,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 14 GUA EPSILN: (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DT P) -240.0 10.0
&rst iat = 396, 416, 421, 422,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 15 THY EPSILN: (15 DT C4')-(15 DT C3')-(15 DT O3')-(16 DG P) -240.0 10.0
&rst iat = 429, 448, 453, 454,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 16 GUA EPSILN: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DG P) -240.0 10.0
&rst iat = 461, 481, 486, 487,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 18 GUA EPSILN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DA P) -240.0 10.0
&rst iat = 527, 547, 552, 553,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 19 ADE EPSILN: (19 DA C4')-(19 DA C3')-(19 DA O3')-(20 DG P) -240.0 10.0
&rst iat = 560, 579, 584, 585,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 21 CYT EPSILN: (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DG3 P) -240.0 10.0
&rst iat = 626, 643, 648, 649,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
&end
# 12 GUA ZETA: (12 DG5 C3')-(12 DG5 O3')-(13 DC P)-(13 DC O5') 150.0 315.0
&rst iat = 353, 358, 359, 362,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 13 CYT ZETA: (13 DC C3')-(13 DC O3')-(14 DG P)-(14 DG O5') 150.0 315.0
&rst iat = 383, 388, 389, 392,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 14 GUA ZETA: (14 DG C3')-(14 DG O3')-(15 DT P)-(15 DT O5') 150.0 315.0
&rst iat = 416, 421, 422, 425,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 15 THY ZETA: (15 DT C3')-(15 DT O3')-(16 DG P)-(16 DG O5') 150.0 315.0
&rst iat = 448, 453, 454, 457,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 16 GUA ZETA: (16 DG C3')-(16 DG O3')-(17 DG P)-(17 DG O5') 150.0 315.0
&rst iat = 481, 486, 487, 490,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 18 GUA ZETA: (18 DG C3')-(18 DG O3')-(19 DA P)-(19 DA O5') 150.0 315.0
&rst iat = 547, 552, 553, 556,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 19 ADE ZETA: (19 DA C3')-(19 DA O3')-(20 DG P)-(20 DG O5') 150.0 315.0
&rst iat = 579, 584, 585, 588,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0
&rst iat = 643, 648, 649, 652,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
# 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0
&rst iat = 643, 648, 649, 652,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
&end
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