NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627885 |
5lqg   |
34034 | cing | 1-original | 2 | AMBER | dihedral angle |
#Torsion restraints
#
# 1 THY CHI: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 N1)-(1 DT5 C2) 200.0 280.0
&rst iat = 8, 9, 11, 23,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
rk2 = 200.0, rk3 = 200.0,
&end
# 8 ADE CHI: (8 DA O4')-(8 DA C1')-(8 DA N9)-(8 DA C4) 170.0 310.0
&rst iat = 235, 236, 238, 251,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
rk2 = 2.0, rk3 = 2.0, &end
# 2 ADE CHI: (2 DA O4')-(2 DA C1')-(2 DA N9)-(2 DA C4) 170.0 310.0
&rst iat = 40, 41, 43, 56,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
#
# 3 GUA CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 30.0 90.0
&rst iat = 72, 73, 75, 89,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
rk2 = 200.0, rk3 = 200.0, &end
#
# 4 GUA CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 200.0 280.0
&rst iat = 105, 106, 108, 122,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 5 GUA CHI: (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 200.0 280.0
&rst iat = 138, 139, 141, 155,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 6 THY CHI: (6 DT O4')-(6 DT C1')-(6 DT N1)-(6 DT C2) 170.0 310.0
&rst iat = 171, 172, 174, 186,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
#
# 7 THY CHI: (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2) 170.0 310.0
&rst iat = 203, 204, 206, 218,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
#
# 9 GUA CHI: (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 30.0 90.0
&rst iat = 267, 268, 270, 284,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
#
# 10 GUA CHI: (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 200.0 280.0
&rst iat = 300, 301, 303, 317,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 11 GUA CHI: (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 30.0 90.0
&rst iat = 333, 334, 336, 350,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
#
# 12 THY CHI: (12 DT O4')-(12 DT C1')-(12 DT N1)-(12 DT C2) 200.0 280.0
&rst iat = 366, 367, 369, 381,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 13 THY CHI: (13 DT O4')-(13 DT C1')-(13 DT N1)-(13 DT C2) 170.0 310.0
&rst iat = 398, 399, 401, 413,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
#
# 14 ADE CHI: (14 DA O4')-(14 DA C1')-(14 DA N9)-(14 DA C4) 200.0 280.0
&rst iat = 430, 431, 433, 446,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 15 GUA CHI: (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4) 200.0 280.0
&rst iat = 462, 463, 465, 479,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 16 GUA CHI: (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 30.0 90.0
&rst iat = 495, 496, 498, 512,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
#
# 17 GUA CHI: (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 200.0 280.0
&rst iat = 528, 529, 531, 545,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 18 THY CHI: (18 DT O4')-(18 DT C1')-(18 DT N1)-(18 DT C2) 170.0 310.0
&rst iat = 561, 562, 564, 576,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
#
# 19 THY CHI: (19 DT O4')-(19 DT C1')-(19 DT N1)-(19 DT C2) 200.0 280.0
&rst iat = 593, 594, 596, 608,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 20 ADE : (20 DA O4')-(20 DA C1')-(20 DA N9)-(20 DA C4) 200.0 280.0
&rst iat = 625, 626, 628, 641
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 21 GUA CHI: (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) 30.0 90.0
&rst iat = 657, 658, 660, 674,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
#
# 22 GUA CHI: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 200.0 280.0
&rst iat = 690, 691, 693, 707,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
#
# 1 THY EPSILON: (1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3')-(2 DA P) 170.0 290.0
&rst iat = 6, 25, 30, 31,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 2 ADE EPSILON: (2 DA C4')-(2 DA C3')-(2 DA O3')-(3 DG P) 170.0 290.0
&rst iat = 38, 57, 62, 63,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 3 GUA EPSILON: (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DG P) 170.0 290.0
&rst iat = 70, 90, 95, 96,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 4 GUA EPSILON: (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DG P) 170.0 290.0
&rst iat = 103, 123, 128, 129,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 5 GUA EPSILON: (5 DG C4')-(5 DG C3')-(5 DG O3')-(6 DT P) 170.0 290.0
&rst iat = 136, 156, 161, 162,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 6 THY EPSILON: (6 DT C4')-(6 DT C3')-(6 DT O3')-(7 DT P) 170.0 290.0
&rst iat = 169, 188, 193, 194,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 7 THY EPSILON: (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DA P) 170.0 290.0
&rst iat = 201, 220, 225, 226,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 8 ADE EPSILON: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DG P) 170.0 290.0
&rst iat = 233, 252, 257, 258,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 9 GUA EPSILON: (9 DG C4')-(9 DG C3')-(9 DG O3')-(10 DG P) 170.0 290.0
&rst iat = 265, 285, 290, 291,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 10 GUA EPSILON: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DG P) 170.0 290.0
&rst iat = 298, 318, 323, 324,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 11 GUA EPSILON: (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DT P) 170.0 290.0
&rst iat = 331, 351, 356, 357,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 12 THY EPSILON: (12 DT C4')-(12 DT C3')-(12 DT O3')-(13 DT P) 170.0 290.0
&rst iat = 364, 383, 388, 389,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 13 THY EPSILON: (13 DT C4')-(13 DT C3')-(13 DT O3')-(14 DA P) 170.0 290.0
&rst iat = 396, 415, 420, 421,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 14 ADE EPSILON: (14 DA C4')-(14 DA C3')-(14 DA O3')-(15 DG P) 170.0 290.0
&rst iat = 428, 447, 452, 453,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 15 GUA EPSILON: (15 DG C4')-(15 DG C3')-(15 DG O3')-(16 DG P) 170.0 290.0
&rst iat = 460, 480, 485, 486,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 16 GUA EPSILON: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DG P) 170.0 290.0
&rst iat = 493, 513, 518, 519,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 17 GUA EPSILON: (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DT P) 170.0 290.0
&rst iat = 526, 546, 551, 552,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 18 THY EPSILON: (18 DT C4')-(18 DT C3')-(18 DT O3')-(19 DT P) 170.0 290.0
&rst iat = 559, 578, 583, 584,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 19 THY EPSILON: (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 170.0 290.0
&rst iat = 591, 610, 615, 616,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 20 ADE EPSILON: (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DG P) 170.0 290.0
&rst iat = 623, 642, 647, 648,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 21 GUA EPSILON: (21 DG C4')-(21 DG C3')-(21 DG O3')-(22 DG3 P) 170.0 290.0
&rst iat = 655, 675, 680, 681,
r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
&end
#
# 1 THY NU0: (1 DT5 C4')-(1 DT5 O4')-(1 DT5 C1')-(1 DT5 C2') -36.5 -6.5
&rst iat = 6, 8, 9, 27,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 1 THY NU1: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3') 19.8 49.8
&rst iat = 8, 9, 27, 25,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 1 THY NU2: (1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4') -49.8 -19.8
&rst iat = 9, 27, 25, 6,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 1 THY NU3: (1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4')-(1 DT5 O4') 6.5 36.5
&rst iat = 27, 25, 6, 8,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 1 THY NU4: (1 DT5 C3')-(1 DT5 C4')-(1 DT5 O4')-(1 DT5 C1') -15.0 15.0
&rst iat = 25, 6, 8, 9,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 2 ADE NU0: (2 DA C4')-(2 DA O4')-(2 DA C1')-(2 DA C2') -36.5 -6.5
&rst iat = 38, 40, 41, 59,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 2 ADE NU1: (2 DA O4')-(2 DA C1')-(2 DA C2')-(2 DA C3') 19.8 49.8
&rst iat = 40, 41, 59, 57,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 2 ADE NU2: (2 DA C1')-(2 DA C2')-(2 DA C3')-(2 DA C4') -49.8 -19.8
&rst iat = 41, 59, 57, 38,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 2 ADE NU3: (2 DA C2')-(2 DA C3')-(2 DA C4')-(2 DA O4') 6.5 36.5
&rst iat = 59, 57, 38, 40,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 2 ADE NU4: (2 DA C3')-(2 DA C4')-(2 DA O4')-(2 DA C1') -15.0 15.0
&rst iat = 57, 38, 40, 41,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 3 GUA NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -36.5 -6.5
&rst iat = 70, 72, 73, 92,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 3 GUA NU1: (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3') 19.8 49.8
&rst iat = 72, 73, 92, 90,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 3 GUA NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -49.8 -19.8
&rst iat = 73, 92, 90, 70,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 3 GUA NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') 6.5 36.5
&rst iat = 92, 90, 70, 72,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 3 GUA NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -15.0 15.0
&rst iat = 90, 70, 72, 73,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 4 GUA NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -36.5 -6.5
&rst iat = 103, 105, 106, 125,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 4 GUA NU1: (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3') 19.8 49.8
&rst iat = 105, 106, 125, 123,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 4 GUA NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -49.8 -19.8
&rst iat = 106, 125, 123, 103,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 4 GUA NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') 6.5 36.5
&rst iat = 125, 123, 103, 105,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 4 GUA NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -15.0 15.0
&rst iat = 123, 103, 105, 106,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 5 GUA NU0: (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -36.5 -6.5
&rst iat = 136, 138, 139, 158,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 5 GUA NU1: (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3') 19.8 49.8
&rst iat = 138, 139, 158, 156,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 5 GUA NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -49.8 -19.8
&rst iat = 139, 158, 156, 136,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 5 GUA NU3: (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4') 6.5 36.5
&rst iat = 158, 156, 136, 138,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 5 GUA NU4: (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -15.0 15.0
&rst iat = 156, 136, 138, 139,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 6 THY NU0: (6 DT C4')-(6 DT O4')-(6 DT C1')-(6 DT C2') -36.5 -6.5
&rst iat = 169, 171, 172, 190,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 6 THY NU1: (6 DT O4')-(6 DT C1')-(6 DT C2')-(6 DT C3') 19.8 49.8
&rst iat = 171, 172, 190, 188,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 6 THY NU2: (6 DT C1')-(6 DT C2')-(6 DT C3')-(6 DT C4') -49.8 -19.8
&rst iat = 172, 190, 188, 169,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 6 THY NU3: (6 DT C2')-(6 DT C3')-(6 DT C4')-(6 DT O4') 6.5 36.5
&rst iat = 190, 188, 169, 171,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 6 THY NU4: (6 DT C3')-(6 DT C4')-(6 DT O4')-(6 DT C1') -15.0 15.0
&rst iat = 188, 169, 171, 172,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 7 THY NU0: (7 DT C4')-(7 DT O4')-(7 DT C1')-(7 DT C2') -36.5 -6.5
&rst iat = 201, 203, 204, 222,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 7 THY NU1: (7 DT O4')-(7 DT C1')-(7 DT C2')-(7 DT C3') 19.8 49.8
&rst iat = 203, 204, 222, 220,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 7 THY NU2: (7 DT C1')-(7 DT C2')-(7 DT C3')-(7 DT C4') -49.8 -19.8
&rst iat = 204, 222, 220, 201,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 7 THY NU3: (7 DT C2')-(7 DT C3')-(7 DT C4')-(7 DT O4') 6.5 36.5
&rst iat = 222, 220, 201, 203,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 7 THY NU4: (7 DT C3')-(7 DT C4')-(7 DT O4')-(7 DT C1') -15.0 15.0
&rst iat = 220, 201, 203, 204,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 8 ADE NU0: (8 DA C4')-(8 DA O4')-(8 DA C1')-(8 DA C2') -36.5 -6.5
&rst iat = 233, 235, 236, 254,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 8 ADE NU1: (8 DA O4')-(8 DA C1')-(8 DA C2')-(8 DA C3') 19.8 49.8
&rst iat = 235, 236, 254, 252,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 8 ADE NU2: (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -49.8 -19.8
&rst iat = 236, 254, 252, 233,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 8 ADE NU3: (8 DA C2')-(8 DA C3')-(8 DA C4')-(8 DA O4') 6.5 36.5
&rst iat = 254, 252, 233, 235,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 8 ADE NU4: (8 DA C3')-(8 DA C4')-(8 DA O4')-(8 DA C1') -15.0 15.0
&rst iat = 252, 233, 235, 236,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 9 GUA NU0: (9 DG C4')-(9 DG O4')-(9 DG C1')-(9 DG C2') -36.5 -6.5
&rst iat = 265, 267, 268, 287,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 9 GUA NU1: (9 DG O4')-(9 DG C1')-(9 DG C2')-(9 DG C3') 19.8 49.8
&rst iat = 267, 268, 287, 285,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 9 GUA NU2: (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -49.8 -19.8
&rst iat = 268, 287, 285, 265,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 9 GUA NU3: (9 DG C2')-(9 DG C3')-(9 DG C4')-(9 DG O4') 6.5 36.5
&rst iat = 287, 285, 265, 267,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 9 GUA NU4: (9 DG C3')-(9 DG C4')-(9 DG O4')-(9 DG C1') -15.0 15.0
&rst iat = 285, 265, 267, 268,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 10 GUA NU0: (10 DG C4')-(10 DG O4')-(10 DG C1')-(10 DG C2') -36.5 -6.5
&rst iat = 298, 300, 301, 320,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 10 GUA NU1: (10 DG O4')-(10 DG C1')-(10 DG C2')-(10 DG C3') 19.8 49.8
&rst iat = 300, 301, 320, 318,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 10 GUA NU2: (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -49.8 -19.8
&rst iat = 301, 320, 318, 298,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 10 GUA NU3: (10 DG C2')-(10 DG C3')-(10 DG C4')-(10 DG O4') 6.5 36.5
&rst iat = 320, 318, 298, 300,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 10 GUA NU4: (10 DG C3')-(10 DG C4')-(10 DG O4')-(10 DG C1') -15.0 15.0
&rst iat = 318, 298, 300, 301,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 11 GUA NU0: (11 DG C4')-(11 DG O4')-(11 DG C1')-(11 DG C2') -36.5 -6.5
&rst iat = 331, 333, 334, 353,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 11 GUA NU1: (11 DG O4')-(11 DG C1')-(11 DG C2')-(11 DG C3') 19.8 49.8
&rst iat = 333, 334, 353, 351,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 11 GUA NU2: (11 DG C1')-(11 DG C2')-(11 DG C3')-(11 DG C4') -49.8 -19.8
&rst iat = 334, 353, 351, 331,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 11 GUA NU3: (11 DG C2')-(11 DG C3')-(11 DG C4')-(11 DG O4') 6.5 36.5
&rst iat = 353, 351, 331, 333,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 11 GUA NU4: (11 DG C3')-(11 DG C4')-(11 DG O4')-(11 DG C1') -15.0 15.0
&rst iat = 351, 331, 333, 334,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 12 THY NU0: (12 DT C4')-(12 DT O4')-(12 DT C1')-(12 DT C2') -36.5 -6.5
&rst iat = 364, 366, 367, 385,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 12 THY NU1: (12 DT O4')-(12 DT C1')-(12 DT C2')-(12 DT C3') 19.8 49.8
&rst iat = 366, 367, 385, 383,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 12 THY NU2: (12 DT C1')-(12 DT C2')-(12 DT C3')-(12 DT C4') -49.8 -19.8
&rst iat = 367, 385, 383, 364,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 12 THY NU3: (12 DT C2')-(12 DT C3')-(12 DT C4')-(12 DT O4') 6.5 36.5
&rst iat = 385, 383, 364, 366,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 12 THY NU4: (12 DT C3')-(12 DT C4')-(12 DT O4')-(12 DT C1') -15.0 15.0
&rst iat = 383, 364, 366, 367,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 13 THY NU0: (13 DT C4')-(13 DT O4')-(13 DT C1')-(13 DT C2') -36.5 -6.5
&rst iat = 396, 398, 399, 417,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 13 THY NU1: (13 DT O4')-(13 DT C1')-(13 DT C2')-(13 DT C3') 19.8 49.8
&rst iat = 398, 399, 417, 415,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 13 THY NU2: (13 DT C1')-(13 DT C2')-(13 DT C3')-(13 DT C4') -49.8 -19.8
&rst iat = 399, 417, 415, 396,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 13 THY NU3: (13 DT C2')-(13 DT C3')-(13 DT C4')-(13 DT O4') 6.5 36.5
&rst iat = 417, 415, 396, 398,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 13 THY NU4: (13 DT C3')-(13 DT C4')-(13 DT O4')-(13 DT C1') -15.0 15.0
&rst iat = 415, 396, 398, 399,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 14 ADE NU0: (14 DA C4')-(14 DA O4')-(14 DA C1')-(14 DA C2') -36.5 -6.5
&rst iat = 428, 430, 431, 449,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 14 ADE NU1: (14 DA O4')-(14 DA C1')-(14 DA C2')-(14 DA C3') 19.8 49.8
&rst iat = 430, 431, 449, 447,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 14 ADE NU2: (14 DA C1')-(14 DA C2')-(14 DA C3')-(14 DA C4') -49.8 -19.8
&rst iat = 431, 449, 447, 428,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 14 ADE NU3: (14 DA C2')-(14 DA C3')-(14 DA C4')-(14 DA O4') 6.5 36.5
&rst iat = 449, 447, 428, 430,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 14 ADE NU4: (14 DA C3')-(14 DA C4')-(14 DA O4')-(14 DA C1') -15.0 15.0
&rst iat = 447, 428, 430, 431,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 15 GUA NU0: (15 DG C4')-(15 DG O4')-(15 DG C1')-(15 DG C2') -36.5 -6.5
&rst iat = 460, 462, 463, 482,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 15 GUA NU1: (15 DG O4')-(15 DG C1')-(15 DG C2')-(15 DG C3') 19.8 49.8
&rst iat = 462, 463, 482, 480,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 15 GUA NU2: (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -49.8 -19.8
&rst iat = 463, 482, 480, 460,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 15 GUA NU3: (15 DG C2')-(15 DG C3')-(15 DG C4')-(15 DG O4') 6.5 36.5
&rst iat = 482, 480, 460, 462,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 15 GUA NU4: (15 DG C3')-(15 DG C4')-(15 DG O4')-(15 DG C1') -15.0 15.0
&rst iat = 480, 460, 462, 463,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 16 GUA NU0: (16 DG C4')-(16 DG O4')-(16 DG C1')-(16 DG C2') -36.5 -6.5
&rst iat = 493, 495, 496, 515,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 16 GUA NU1: (16 DG O4')-(16 DG C1')-(16 DG C2')-(16 DG C3') 19.8 49.8
&rst iat = 495, 496, 515, 513,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 16 GUA NU2: (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -49.8 -19.8
&rst iat = 496, 515, 513, 493,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 16 GUA NU3: (16 DG C2')-(16 DG C3')-(16 DG C4')-(16 DG O4') 6.5 36.5
&rst iat = 515, 513, 493, 495,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 16 GUA NU4: (16 DG C3')-(16 DG C4')-(16 DG O4')-(16 DG C1') -15.0 15.0
&rst iat = 513, 493, 495, 496,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 17 GUA NU0: (17 DG C4')-(17 DG O4')-(17 DG C1')-(17 DG C2') -36.5 -6.5
&rst iat = 526, 528, 529, 548,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 17 GUA NU1: (17 DG O4')-(17 DG C1')-(17 DG C2')-(17 DG C3') 19.8 49.8
&rst iat = 528, 529, 548, 546,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 17 GUA NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -49.8 -19.8
&rst iat = 529, 548, 546, 526,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 17 GUA NU3: (17 DG C2')-(17 DG C3')-(17 DG C4')-(17 DG O4') 6.5 36.5
&rst iat = 548, 546, 526, 528,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 17 GUA NU4: (17 DG C3')-(17 DG C4')-(17 DG O4')-(17 DG C1') -15.0 15.0
&rst iat = 546, 526, 528, 529,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 18 THY NU0: (18 DT C4')-(18 DT O4')-(18 DT C1')-(18 DT C2') -36.5 -6.5
&rst iat = 559, 561, 562, 580,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 18 THY NU1: (18 DT O4')-(18 DT C1')-(18 DT C2')-(18 DT C3') 19.8 49.8
&rst iat = 561, 562, 580, 578,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 18 THY NU2: (18 DT C1')-(18 DT C2')-(18 DT C3')-(18 DT C4') -49.8 -19.8
&rst iat = 562, 580, 578, 559,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 18 THY NU3: (18 DT C2')-(18 DT C3')-(18 DT C4')-(18 DT O4') 6.5 36.5
&rst iat = 580, 578, 559, 561,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 18 THY NU4: (18 DT C3')-(18 DT C4')-(18 DT O4')-(18 DT C1') -15.0 15.0
&rst iat = 578, 559, 561, 562,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 19 THY NU0: (19 DT C4')-(19 DT O4')-(19 DT C1')-(19 DT C2') -36.5 -6.5
&rst iat = 591, 593, 594, 612,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 19 THY NU1: (19 DT O4')-(19 DT C1')-(19 DT C2')-(19 DT C3') 19.8 49.8
&rst iat = 593, 594, 612, 610,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 19 THY NU2: (19 DT C1')-(19 DT C2')-(19 DT C3')-(19 DT C4') -49.8 -19.8
&rst iat = 594, 612, 610, 591,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 19 THY NU3: (19 DT C2')-(19 DT C3')-(19 DT C4')-(19 DT O4') 6.5 36.5
&rst iat = 612, 610, 591, 593,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 19 THY NU4: (19 DT C3')-(19 DT C4')-(19 DT O4')-(19 DT C1') -15.0 15.0
&rst iat = 610, 591, 593, 594,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 20 ADE NU0: (20 DA C4')-(20 DA O4')-(20 DA C1')-(20 DA C2') -36.5 -6.5
&rst iat = 623, 625, 626, 644,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 20 ADE NU1: (20 DA O4')-(20 DA C1')-(20 DA C2')-(20 DA C3') 19.8 49.8
&rst iat = 625, 626, 644, 642,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 20 ADE NU2: (20 DA C1')-(20 DA C2')-(20 DA C3')-(20 DA C4') -49.8 -19.8
&rst iat = 626, 644, 642, 623,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 20 ADE NU3: (20 DA C2')-(20 DA C3')-(20 DA C4')-(20 DA O4') 6.5 36.5
&rst iat = 644, 642, 623, 625,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 20 ADE NU4: (20 DA C3')-(20 DA C4')-(20 DA O4')-(20 DA C1') -15.0 15.0
&rst iat = 642, 623, 625, 626,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 21 GUA NU0: (21 DG C4')-(21 DG O4')-(21 DG C1')-(21 DG C2') -36.5 -6.5
&rst iat = 655, 657, 658, 677,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 21 GUA NU1: (21 DG O4')-(21 DG C1')-(21 DG C2')-(21 DG C3') 19.8 49.8
&rst iat = 657, 658, 677, 675,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 21 GUA NU2: (21 DG C1')-(21 DG C2')-(21 DG C3')-(21 DG C4') -49.8 -19.8
&rst iat = 658, 677, 675, 655,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 21 GUA NU3: (21 DG C2')-(21 DG C3')-(21 DG C4')-(21 DG O4') 6.5 36.5
&rst iat = 677, 675, 655, 657,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 21 GUA NU4: (21 DG C3')-(21 DG C4')-(21 DG O4')-(21 DG C1') -15.0 15.0
&rst iat = 675, 655, 657, 658,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end
# 22 GUA NU0: (22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2') -36.5 -6.5
&rst iat = 688, 690, 691, 710,
r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5,
&end
# 22 GUA NU1: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3') 19.8 49.8
&rst iat = 690, 691, 710, 708,
r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8,
&end
# 22 GUA NU2: (22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4') -49.8 -19.8
&rst iat = 691, 710, 708, 688,
r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
&end
# 22 GUA NU3: (22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4') 6.5 36.5
&rst iat = 710, 708, 688, 690,
r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5,
&end
# 22 GUA NU4: (22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1') -15.0 15.0
&rst iat = 708, 688, 690, 691,
r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0,
&end# Restraints file 4: amber.crd
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