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 |
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625296 |
5mtg   |
34084 | cing | 1-original | 4 | AMBER | dihedral angle |
## Restraints file 4: torsion.mr
#torsion restraints
##
#
# 1096 atoms read from pdb file MJ.pdb.
# 1 CYT CHI: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) 170.0 310.0
&rst iat = 8, 9, 11, 21,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
rk2 = 200.0, rk3 = 200.0, &end
# 2 ADE CHI: (2 DA O4')-(2 DA C1')-(2 DA N9)-(2 DA C4) 200.0 280.0
&rst iat = 38, 39, 41, 54,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 3 GUA CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 25.0 95.0
&rst iat = 70, 71, 73, 87,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 4 GUA CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 200.0 280.0
&rst iat = 103, 104, 106, 120,
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 = 136, 137, 139, 153,
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 = 169, 170, 172, 184,
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 = 201, 202, 204, 216,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 8 ADE CHI: (8 DA O4')-(8 DA C1')-(8 DA N9)-(8 DA C4) 200.0 280.0
&rst iat = 233, 234, 236, 249,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 9 ADE CHI: (9 DA O4')-(9 DA C1')-(9 DA N9)-(9 DA C4) 200.0 280.0
&rst iat = 265, 266, 268, 281,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 10 GUA CHI: (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 25.0 95.0
&rst iat = 297, 298, 300, 314,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 11 GUA CHI: (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 200.0 280.0
&rst iat = 330, 331, 333, 347,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 12 GUA CHI: (12 DG O4')-(12 DG C1')-(12 DG N9)-(12 DG C4) 200.0 280.0
&rst iat = 363, 364, 366, 380,
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 = 396, 397, 399, 411,
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 = 428, 429, 431, 444,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&ENd
# 15 THY CHI: (15 DT O4')-(15 DT C1')-(15 DT N1)-(15 DT C2) 170.0 310.0
&rst iat = 460, 461, 463, 475,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 16 ADE CHI: (16 DA O4')-(16 DA C1')-(16 DA N9)-(16 DA C4) 200.0 280.0
&rst iat = 492, 493, 495, 508,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 17 ADE CHI: (17 DA O4')-(17 DA C1')-(17 DA N9)-(17 DA C4) 200.0 280.0
&rst iat = 524, 525, 527, 540,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 18 CYT CHI: (18 DC O4')-(18 DC C1')-(18 DC N1)-(18 DC C2) 170.0 310.0
&rst iat = 556, 557, 559, 569,
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) 170.0 310.0
&rst iat = 586, 587, 589, 601,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 20 THY CHI: (20 DT O4')-(20 DT C1')-(20 DT N1)-(20 DT C2) 170.0 310.0
&rst iat = 618, 619, 621, 633,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 21 THY CHI: (21 DT O4')-(21 DT C1')-(21 DT N1)-(21 DT C2) 170.0 310.0
&rst iat = 650, 651, 653, 665,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 22 ADE CHI: (22 DA O4')-(22 DA C1')-(22 DA N9)-(22 DA C4) 200.0 280.0
&rst iat = 682, 683, 685, 698,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 23 GUA CHI: (23 DG O4')-(23 DG C1')-(23 DG N9)-(23 DG C4) 25.0 95.0
&rst iat = 714, 715, 717, 731,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 24 GUA CHI: (24 DG O4')-(24 DG C1')-(24 DG N9)-(24 DG C4) 25.0 95.0
&rst iat = 747, 748, 750, 764,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 25 GUA CHI: (25 DG O4')-(25 DG C1')-(25 DG N9)-(25 DG C4) 200.0 280.0
&rst iat = 780, 781, 783, 797,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 26 GUA CHI: (26 DG O4')-(26 DG C1')-(26 DG N9)-(26 DG C4) 200.0 280.0
&rst iat = 813, 814, 816, 830,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 27 THY CHI: (27 DT O4')-(27 DT C1')-(27 DT N1)-(27 DT C2) 170.0 310.0
&rst iat = 846, 847, 849, 861,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 28 THY CHI: (28 DT O4')-(28 DT C1')-(28 DT N1)-(28 DT C2) 170.0 310.0
&rst iat = 878, 879, 881, 893,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 29 ADE CHI: (29 DA O4')-(29 DA C1')-(29 DA N9)-(29 DA C4) 200.0 280.0
&rst iat = 910, 911, 913, 926,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 30 GUA CHI: (30 DG O4')-(30 DG C1')-(30 DG N9)-(30 DG C4) 25.0 95.0
&rst iat = 942, 943, 945, 959,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 31 GUA CHI: (31 DG O4')-(31 DG C1')-(31 DG N9)-(31 DG C4) 200.0 280.0
&rst iat = 975, 976, 978, 992,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 32 GUA CHI: (32 DG O4')-(32 DG C1')-(32 DG N9)-(32 DG C4) 200.0 280.0
&rst iat = 1008, 1009, 1011, 1025,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 33 THY CHI: (33 DT O4')-(33 DT C1')-(33 DT N1)-(33 DT C2) 170.0 310.0
&rst iat = 1041, 1042, 1044, 1056,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 34 THY CHI: (34 DT3 O4')-(34 DT3 C1')-(34 DT3 N1)-(34 DT3 C2) 170.0 310.0
&rst iat = 1073, 1074, 1076, 1088,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
#
# 1 DC NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -40.0 -20.0
&rst iat = 9, 25, 23, 6,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
rk2 = 200.0, rk3 = 200.0, &end
# 2 DA NU2: (2 DA C1')-(2 DA C2')-(2 DA C3')-(2 DA C4') -40.0 -20.0
&rst iat = 39, 57, 55, 36,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 3 DG NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -40.0 -20.0
&rst iat = 71, 90, 88, 68,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 4 DG NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -40.0 -20.0
&rst iat = 104, 123, 121, 101,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 5 DG NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -40.0 -20.0
&rst iat = 137, 156, 154, 134,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 6 DT NU2: (6 DT C1')-(6 DT C2')-(6 DT C3')-(6 DT C4') -40.0 -20.0
&rst iat = 170, 188, 186, 167,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 7 DT NU2: (7 DT C1')-(7 DT C2')-(7 DT C3')-(7 DT C4') -40.0 -20.0
&rst iat = 202, 220, 218, 199,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 8 DA NU2: (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -40.0 -20.0
&rst iat = 234, 252, 250, 231,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 9 DA NU2: (9 DA C1')-(9 DA C2')-(9 DA C3')-(9 DA C4') -40.0 -20.0
&rst iat = 266, 284, 282, 263,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 10 DG NU2: (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -40.0 -20.0
&rst iat = 298, 317, 315, 295,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 11 DG NU2: (11 DG C1')-(11 DG C2')-(11 DG C3')-(11 DG C4') -40.0 -20.0
&rst iat = 331, 350, 348, 328,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 12 DG NU2: (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -40.0 -20.0
&rst iat = 364, 383, 381, 361,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 13 DT NU2: (13 DT C1')-(13 DT C2')-(13 DT C3')-(13 DT C4') -40.0 -20.0
&rst iat = 397, 415, 413, 394,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 15 DT NU2: (15 DT C1')-(15 DT C2')-(15 DT C3')-(15 DT C4') -40.0 -20.0
&rst iat = 461, 479, 477, 458,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 19 DT NU2: (19 DT C1')-(19 DT C2')-(19 DT C3')-(19 DT C4') -40.0 -20.0
&rst iat = 587, 605, 603, 584,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 20 DT NU2: (20 DT C1')-(20 DT C2')-(20 DT C3')-(20 DT C4') -40.0 -20.0
&rst iat = 619, 637, 635, 616,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 21 DT NU2: (21 DT C1')-(21 DT C2')-(21 DT C3')-(21 DT C4') -40.0 -20.0
&rst iat = 651, 669, 667, 648,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 22 DA NU2: (22 DA C1')-(22 DA C2')-(22 DA C3')-(22 DA C4') -40.0 -20.0
&rst iat = 683, 701, 699, 680,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 23 DG NU2: (23 DG C1')-(23 DG C2')-(23 DG C3')-(23 DG C4') -40.0 -20.0
&rst iat = 715, 734, 732, 712,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 24 DG NU2: (24 DG C1')-(24 DG C2')-(24 DG C3')-(24 DG C4') -40.0 -20.0
&rst iat = 748, 767, 765, 745,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 25 DG NU2: (25 DG C1')-(25 DG C2')-(25 DG C3')-(25 DG C4') -40.0 -20.0
&rst iat = 781, 800, 798, 778,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 26 DG NU2: (26 DG C1')-(26 DG C2')-(26 DG C3')-(26 DG C4') -40.0 -20.0
&rst iat = 814, 833, 831, 811,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 27 DG NU2: (27 DT C1')-(27 DT C2')-(27 DT C3')-(27 DT C4') 20.0 40.0
&rst iat = 847, 865, 863, 844,
r1 = 19.0, r2 = 20.0, r3 = 40.0, r4 = 41.0,
&end
# 28 DT NU2: (28 DT C1')-(28 DT C2')-(28 DT C3')-(28 DT C4') -40.0 -20.0
&rst iat = 879, 897, 895, 876,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 29 DA NU2: (29 DA C1')-(29 DA C2')-(29 DA C3')-(29 DA C4') -40.0 -20.0
&rst iat = 911, 929, 927, 908,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 30 DG NU2: (30 DG C1')-(30 DG C2')-(30 DG C3')-(30 DG C4') -40.0 -20.0
&rst iat = 943, 962, 960, 940,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 31 DG NU2: (31 DG C1')-(31 DG C2')-(31 DG C3')-(31 DG C4') -40.0 -20.0
&rst iat = 976, 995, 993, 973,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 32 DG NU2: (32 DG C1')-(32 DG C2')-(32 DG C3')-(32 DG C4') -40.0 -20.0
&rst iat = 1009, 1028, 1026, 1006,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 33 DT NU2: (33 DT C1')-(33 DT C2')-(33 DT C3')-(33 DT C4') -40.0 -20.0
&rst iat = 1042, 1060, 1058, 1039,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
# 34 DT NU2: (34 DT3 C1')-(34 DT3 C2')-(34 DT3 C3')-(34 DT3 C4') -40.0 -20.0
&rst iat = 1074, 1092, 1090, 1071,
r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
&end
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