NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
15630 |
1yne   |
cing | 1-original | 2 | AMBER | dihedral angle |
# 985 atoms read from pdb file ../RNAU6666new.pdb.
# 1 GUA DELTA: (1 RG5 C5')-(1 RG5 C4')-(1 RG5 C3')-(1 RG5 O3') 65.0 180.0
&rst iat = 3, 6, 26, 32,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
rk2 = 1000.0, rk3 = 1000.0, &end
# 2 GUA DELTA: (2 RG C5')-(2 RG C4')-(2 RG C3')-(2 RG O3') 65.0 105.0
&rst iat = 37, 40, 60, 66,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 3 ADE DELTA: (3 RA C5')-(3 RA C4')-(3 RA C3')-(3 RA O3') 65.0 105.0
&rst iat = 71, 74, 93, 99,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 4 URA DELTA: (4 RU C5')-(4 RU C4')-(4 RU C3')-(4 RU O3') 65.0 105.0
&rst iat = 104, 107, 123, 129,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 5 ADE DELTA: (5 RA C5')-(5 RA C4')-(5 RA C3')-(5 RA O3') 65.0 105.0
&rst iat = 134, 137, 156, 162,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 6 URA DELTA: (6 RU C5')-(6 RU C4')-(6 RU C3')-(6 RU O3') 65.0 105.0
&rst iat = 167, 170, 186, 192,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 7 ADE DELTA: (7 RA C5')-(7 RA C4')-(7 RA C3')-(7 RA O3') 65.0 105.0
&rst iat = 197, 200, 219, 225,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 8 URA DELTA: (8 RU C5')-(8 RU C4')-(8 RU C3')-(8 RU O3') 65.0 105.0
&rst iat = 230, 233, 249, 255,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 9 GUA DELTA: (9 RG C5')-(9 RG C4')-(9 RG C3')-(9 RG O3') 65.0 105.0
&rst iat = 260, 263, 283, 289,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 10 ADE DELTA: (10 RA C5')-(10 RA C4')-(10 RA C3')-(10 RA O3') 65.0 105.0
&rst iat = 294, 297, 316, 322,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 11 URA DELTA: (11 RU C5')-(11 RU C4')-(11 RU C3')-(11 RU O3') 65.0 180.0
&rst iat = 327, 330, 346, 352,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 12 ADE DELTA: (12 RA C5')-(12 RA C4')-(12 RA C3')-(12 RA O3') 65.0 180.0
&rst iat = 357, 360, 379, 385,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 13 URA DELTA: (13 RU C5')-(13 RU C4')-(13 RU C3')-(13 RU O3') 65.0 180.0
&rst iat = 390, 393, 409, 415,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 14 ADE DELTA: (14 RA C5')-(14 RA C4')-(14 RA C3')-(14 RA O3') 65.0 180.0
&rst iat = 420, 423, 442, 448,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 15 ADE DELTA: (15 RA C5')-(15 RA C4')-(15 RA C3')-(15 RA O3') 65.0 180.0
&rst iat = 453, 456, 475, 481,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 16 URA DELTA: (16 RU C5')-(16 RU C4')-(16 RU C3')-(16 RU O3') 65.0 180.0
&rst iat = 486, 489, 505, 511,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 17 URA DELTA: (17 RU C5')-(17 RU C4')-(17 RU C3')-(17 RU O3') 65.0 180.0
&rst iat = 516, 519, 535, 541,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 18 URA DELTA: (18 RU C5')-(18 RU C4')-(18 RU C3')-(18 RU O3') 65.0 180.0
&rst iat = 546, 549, 565, 571,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 19 GUA DELTA: (19 RG C5')-(19 RG C4')-(19 RG C3')-(19 RG O3') 65.0 180.0
&rst iat = 576, 579, 599, 605,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 20 ADE DELTA: (20 RA C5')-(20 RA C4')-(20 RA C3')-(20 RA O3') 65.0 105.0
&rst iat = 610, 613, 632, 638,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 21 URA DELTA: (21 RU C5')-(21 RU C4')-(21 RU C3')-(21 RU O3') 65.0 105.0
&rst iat = 643, 646, 662, 668,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 22 CYT DELTA: (22 RC C5')-(22 RC C4')-(22 RC C3')-(22 RC O3') 65.0 105.0
&rst iat = 673, 676, 693, 699,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 23 ADE DELTA: (23 RA C5')-(23 RA C4')-(23 RA C3')-(23 RA O3') 65.0 105.0
&rst iat = 704, 707, 726, 732,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 24 GUA DELTA: (24 RG C5')-(24 RG C4')-(24 RG C3')-(24 RG O3') 65.0 105.0
&rst iat = 737, 740, 760, 766,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 25 URA DELTA: (25 RU C5')-(25 RU C4')-(25 RU C3')-(25 RU O3') 65.0 180.0
&rst iat = 771, 774, 790, 796,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 26 ADE DELTA: (26 RA C5')-(26 RA C4')-(26 RA C3')-(26 RA O3') 65.0 105.0
&rst iat = 801, 804, 823, 829,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 27 URA DELTA: (27 RU C5')-(27 RU C4')-(27 RU C3')-(27 RU O3') 65.0 105.0
&rst iat = 834, 837, 853, 859,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 28 ADE DELTA: (28 RA C5')-(28 RA C4')-(28 RA C3')-(28 RA O3') 65.0 105.0
&rst iat = 864, 867, 886, 892,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 29 URA DELTA: (29 RU C5')-(29 RU C4')-(29 RU C3')-(29 RU O3') 65.0 105.0
&rst iat = 897, 900, 916, 922,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 30 CYT DELTA: (30 RC C5')-(30 RC C4')-(30 RC C3')-(30 RC O3') 65.0 105.0
&rst iat = 927, 930, 947, 953,
r1 = 64.0, r2 = 65.0, r3 = 105.0, r4 = 106.0,
&end
# 31 CYT DELTA: (31 RC3 C5')-(31 RC3 C4')-(31 RC3 C3')-(31 RC3 O3') 65.0 180.0
&rst iat = 958, 961, 978, 984,
r1 = 64.0, r2 = 65.0, r3 = 180.0, r4 = 181.0,
&end
# 2 GUA ALPHA: (1 RG5 O3')-(2 RG P)-(2 RG O5')-(2 RG C5') 290.0 310.0
&rst iat = 32, 33, 36, 37,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
rk2 = 250.0, rk3 = 250.0, &end
# 3 ADE ALPHA: (2 RG O3')-(3 RA P)-(3 RA O5')-(3 RA C5') 290.0 310.0
&rst iat = 66, 67, 70, 71,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 4 URA ALPHA: (3 RA O3')-(4 RU P)-(4 RU O5')-(4 RU C5') 290.0 310.0
&rst iat = 99, 100, 103, 104,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 5 ADE ALPHA: (4 RU O3')-(5 RA P)-(5 RA O5')-(5 RA C5') 290.0 310.0
&rst iat = 129, 130, 133, 134,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 27 URA ALPHA: (26 RA O3')-(27 RU P)-(27 RU O5')-(27 RU C5') 290.0 310.0
&rst iat = 829, 830, 833, 834,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 28 ADE ALPHA: (27 RU O3')-(28 RA P)-(28 RA O5')-(28 RA C5') 290.0 310.0
&rst iat = 859, 860, 863, 864,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 29 URA ALPHA: (28 RA O3')-(29 RU P)-(29 RU O5')-(29 RU C5') 290.0 310.0
&rst iat = 892, 893, 896, 897,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 30 CYT ALPHA: (29 RU O3')-(30 RC P)-(30 RC O5')-(30 RC C5') 290.0 310.0
&rst iat = 922, 923, 926, 927,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 31 CYT ALPHA: (30 RC O3')-(31 RC3 P)-(31 RC3 O5')-(31 RC3 C5') 290.0 310.0
&rst iat = 953, 954, 957, 958,
r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
&end
# 2 GUA BETA: (2 RG P)-(2 RG O5')-(2 RG C5')-(2 RG C4') 170.0 190.0
&rst iat = 33, 36, 37, 40,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 3 ADE BETA: (3 RA P)-(3 RA O5')-(3 RA C5')-(3 RA C4') 170.0 190.0
&rst iat = 67, 70, 71, 74,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 4 URA BETA: (4 RU P)-(4 RU O5')-(4 RU C5')-(4 RU C4') 170.0 190.0
&rst iat = 100, 103, 104, 107,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 5 ADE BETA: (5 RA P)-(5 RA O5')-(5 RA C5')-(5 RA C4') 170.0 190.0
&rst iat = 130, 133, 134, 137,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 27 URA BETA: (27 RU P)-(27 RU O5')-(27 RU C5')-(27 RU C4') 170.0 190.0
&rst iat = 830, 833, 834, 837,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 28 ADE BETA: (28 RA P)-(28 RA O5')-(28 RA C5')-(28 RA C4') 170.0 190.0
&rst iat = 860, 863, 864, 867,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 29 URA BETA: (29 RU P)-(29 RU O5')-(29 RU C5')-(29 RU C4') 170.0 190.0
&rst iat = 893, 896, 897, 900,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 30 CYT BETA: (30 RC P)-(30 RC O5')-(30 RC C5')-(30 RC C4') 170.0 190.0
&rst iat = 923, 926, 927, 930,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 31 CYT BETA: (31 RC3 P)-(31 RC3 O5')-(31 RC3 C5')-(31 RC3 C4') 170.0 190.0
&rst iat = 954, 957, 958, 961,
r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
&end
# 2 GUA GAMMA: (2 RG O5')-(2 RG C5')-(2 RG C4')-(2 RG C3') 40.0 60.0
&rst iat = 36, 37, 40, 60,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 3 ADE GAMMA: (3 RA O5')-(3 RA C5')-(3 RA C4')-(3 RA C3') 40.0 60.0
&rst iat = 70, 71, 74, 93,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 4 URA GAMMA: (4 RU O5')-(4 RU C5')-(4 RU C4')-(4 RU C3') 40.0 60.0
&rst iat = 103, 104, 107, 123,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 5 ADE GAMMA: (5 RA O5')-(5 RA C5')-(5 RA C4')-(5 RA C3') 40.0 60.0
&rst iat = 133, 134, 137, 156,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 27 URA GAMMA: (27 RU O5')-(27 RU C5')-(27 RU C4')-(27 RU C3') 40.0 60.0
&rst iat = 833, 834, 837, 853,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 28 ADE GAMMA: (28 RA O5')-(28 RA C5')-(28 RA C4')-(28 RA C3') 40.0 60.0
&rst iat = 863, 864, 867, 886,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 29 URA GAMMA: (29 RU O5')-(29 RU C5')-(29 RU C4')-(29 RU C3') 40.0 60.0
&rst iat = 896, 897, 900, 916,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 30 CYT GAMMA: (30 RC O5')-(30 RC C5')-(30 RC C4')-(30 RC C3') 40.0 60.0
&rst iat = 926, 927, 930, 947,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 31 CYT GAMMA: (31 RC3 O5')-(31 RC3 C5')-(31 RC3 C4')-(31 RC3 C3') 40.0 60.0
&rst iat = 957, 958, 961, 978,
r1 = 39.0, r2 = 40.0, r3 = 60.0, r4 = 61.0,
&end
# 1 GUA EPSLN: (1 RG5 C4')-(1 RG5 C3')-(1 RG5 O3')-(2 RG P) 200.0 220.0
&rst iat = 6, 26, 32, 33,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 2 GUA EPSLN: (2 RG C4')-(2 RG C3')-(2 RG O3')-(3 RA P) 200.0 220.0
&rst iat = 40, 60, 66, 67,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 3 ADE EPSLN: (3 RA C4')-(3 RA C3')-(3 RA O3')-(4 RU P) 200.0 220.0
&rst iat = 74, 93, 99, 100,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 4 URA EPSLN: (4 RU C4')-(4 RU C3')-(4 RU O3')-(5 RA P) 200.0 220.0
&rst iat = 107, 123, 129, 130,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 5 ADE EPSLN: (5 RA C4')-(5 RA C3')-(5 RA O3')-(6 RU P) 200.0 220.0
&rst iat = 137, 156, 162, 163,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 27 URA EPSLN: (27 RU C4')-(27 RU C3')-(27 RU O3')-(28 RA P) 200.0 220.0
&rst iat = 837, 853, 859, 860,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 28 ADE EPSLN: (28 RA C4')-(28 RA C3')-(28 RA O3')-(29 RU P) 200.0 220.0
&rst iat = 867, 886, 892, 893,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 29 URA EPSLN: (29 RU C4')-(29 RU C3')-(29 RU O3')-(30 RC P) 200.0 220.0
&rst iat = 900, 916, 922, 923,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 30 CYT EPSLN: (30 RC C4')-(30 RC C3')-(30 RC O3')-(31 RC3 P) 200.0 220.0
&rst iat = 930, 947, 953, 954,
r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
&end
# 2 GUA ZETA: (2 RG C3')-(2 RG O3')-(3 RA P)-(3 RA O5') 280.0 300.0
&rst iat = 60, 66, 67, 70,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 3 ADE ZETA: (3 RA C3')-(3 RA O3')-(4 RU P)-(4 RU O5') 280.0 300.0
&rst iat = 93, 99, 100, 103,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 4 URA ZETA: (4 RU C3')-(4 RU O3')-(5 RA P)-(5 RA O5') 280.0 300.0
&rst iat = 123, 129, 130, 133,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 5 ADE ZETA: (5 RA C3')-(5 RA O3')-(6 RU P)-(6 RU O5') 280.0 300.0
&rst iat = 156, 162, 163, 166,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 27 URA ZETA: (27 RU C3')-(27 RU O3')-(28 RA P)-(28 RA O5') 280.0 300.0
&rst iat = 853, 859, 860, 863,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 28 ADE ZETA: (28 RA C3')-(28 RA O3')-(29 RU P)-(29 RU O5') 280.0 300.0
&rst iat = 886, 892, 893, 896,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 29 URA ZETA: (29 RU C3')-(29 RU O3')-(30 RC P)-(30 RC O5') 280.0 300.0
&rst iat = 916, 922, 923, 926,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 30 CYT ZETA: (30 RC C3')-(30 RC O3')-(31 RC3 P)-(31 RC3 O5') 280.0 300.0
&rst iat = 947, 953, 954, 957,
r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
&end
# 1 GUA CHI: (1 RG5 O4')-(1 RG5 C1')-(1 RG5 N9)-(1 RG5 C4) 180.0 220.0
&rst iat = 8, 9, 11, 25,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 2 GUA CHI: (2 RG O4')-(2 RG C1')-(2 RG N9)-(2 RG C4) 180.0 220.0
&rst iat = 42, 43, 45, 59,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 3 ADE CHI: (3 RA O4')-(3 RA C1')-(3 RA N9)-(3 RA C4) 180.0 220.0
&rst iat = 76, 77, 79, 92,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 4 URA CHI: (4 RU O4')-(4 RU C1')-(4 RU N1)-(4 RU C2) 180.0 220.0
&rst iat = 109, 110, 112, 121,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 5 ADE CHI: (5 RA O4')-(5 RA C1')-(5 RA N9)-(5 RA C4) 180.0 220.0
&rst iat = 139, 140, 142, 155,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 29 URA CHI: (29 RU O4')-(29 RU C1')-(29 RU N1)-(29 RU C2) 180.0 220.0
&rst iat = 902, 903, 905, 914,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 30 CYT CHI: (30 RC O4')-(30 RC C1')-(30 RC N1)-(30 RC C2) 180.0 220.0
&rst iat = 932, 933, 935, 945,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
# 31 CYT CHI: (31 RC3 O4')-(31 RC3 C1')-(31 RC3 N1)-(31 RC3 C2) 180.0 220.0
&rst iat = 963, 964, 966, 976,
r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
&end
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