NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608176 | 5lig | 34025 | cing | 1-original | 2 | AMBER | dihedral angle |
#Torsion angle restraint # # 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 # 2 ADE CHI: (2 DA O4')-(2 DA C1')-(2 DA N9)-(2 DA C4) 200.0 280.0 &rst iat = 40, 41, 43, 56, 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) 200.0 280.0 &rst iat = 72, 73, 75, 89, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &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 ADE CHI: (6 DA O4')-(6 DA C1')-(6 DA N9)-(6 DA C4) 200.0 280.0 &rst iat = 171, 172, 174, 187, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 7 GUA CHI: (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 200.0 280.0 &rst iat = 203, 204, 206, 220, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 8 GUA CHI: (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0 &rst iat = 236, 237, 239, 253, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 9 GUA CHI: (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 200.0 280.0 &rst iat = 269, 270, 272, 286, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 10 THY CHI: (10 DT O4')-(10 DT C1')-(10 DT N1)-(10 DT C2) 200.0 280.0 &rst iat = 302, 303, 305, 317, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 11 ADE CHI: (11 DA O4')-(11 DA C1')-(11 DA N9)-(11 DA C4) 200.0 280.0 &rst iat = 334, 335, 337, 350, 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 = 366, 367, 369, 383, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 13 GUA CHI: (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 200.0 280.0 &rst iat = 399, 400, 402, 416, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 14 GUA CHI: (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 200.0 280.0 &rst iat = 432, 433, 435, 449, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 15 ADE CHI: (15 DA O4')-(15 DA C1')-(15 DA N9)-(15 DA C4) 200.0 280.0 &rst iat = 465, 466, 468, 481, 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) 200.0 280.0 &rst iat = 497, 498, 500, 514, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 17 GUA CHI: (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 200.0 280.0 &rst iat = 530, 531, 533, 547, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 18 GUA CHI: (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) 200.0 280.0 &rst iat = 563, 564, 566, 580, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 19 THY CHI: (19 DT3 O4')-(19 DT3 C1')-(19 DT3 N1)-(19 DT3 C2) 200.0 280.0 &rst iat = 596, 597, 599, 611, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 19 THY CHI: (19 DT3 O4')-(19 DT3 C1')-(19 DT3 N1)-(19 DT3 C2) 200.0 280.0 &rst iat = 596, 597, 599, 611, 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 DA 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 ADE EPSILON: (6 DA C4')-(6 DA C3')-(6 DA O3')-(7 DG 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 GUA EPSILON: (7 DG C4')-(7 DG C3')-(7 DG O3')-(8 DG P) 170.0 290.0 &rst iat = 201, 221, 226, 227, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 8 GUA EPSILON: (8 DG C4')-(8 DG C3')-(8 DG O3')-(9 DG P) 170.0 290.0 &rst iat = 234, 254, 259, 260, 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 DT P) 170.0 290.0 &rst iat = 267, 287, 292, 293, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 10 THY EPSILON: (10 DT C4')-(10 DT C3')-(10 DT O3')-(11 DA P) 170.0 290.0 &rst iat = 300, 319, 324, 325, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 11 ADE EPSILON: (11 DA C4')-(11 DA C3')-(11 DA O3')-(12 DG P) 170.0 290.0 &rst iat = 332, 351, 356, 357, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 12 GUA EPSILON: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG P) 170.0 290.0 &rst iat = 364, 384, 389, 390, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 13 GUA EPSILON: (13 DG C4')-(13 DG C3')-(13 DG O3')-(14 DG P) 170.0 290.0 &rst iat = 397, 417, 422, 423, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 14 GUA EPSILON: (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DA P) 170.0 290.0 &rst iat = 430, 450, 455, 456, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 15 ADE EPSILON: (15 DA C4')-(15 DA C3')-(15 DA O3')-(16 DG P) 170.0 290.0 &rst iat = 463, 482, 487, 488, 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 = 495, 515, 520, 521, 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 DG P) 170.0 290.0 &rst iat = 528, 548, 553, 554, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 18 GUA EPSILON: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT3 P) 170.0 290.0 &rst iat = 561, 581, 586, 587, r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0, &end # 1 THY NU2: (1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4') -40.0 -20.0 &rst iat = 9, 27, 25, 6, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 2 ADE NU2: (2 DA C1')-(2 DA C2')-(2 DA C3')-(2 DA C4') -40.0 -20.0 &rst iat = 41, 59, 57, 38, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 3 GUA NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -40.0 -20.0 &rst iat = 73, 92, 90, 70, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 4 GUA NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -40.0 -20.0 &rst iat = 106, 125, 123, 103, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 5 GUA NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -40.0 -20.0 &rst iat = 139, 158, 156, 136, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 6 ADE NU2: (6 DA C1')-(6 DA C2')-(6 DA C3')-(6 DA C4') -40.0 -20.0 &rst iat = 172, 190, 188, 169, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 7 GUA NU2: (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -40.0 -20.0 &rst iat = 204, 223, 221, 201, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 8 GUA NU2: (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -40.0 -20.0 &rst iat = 237, 256, 254, 234, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 9 GUA NU2: (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -40.0 -20.0 &rst iat = 270, 289, 287, 267, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 10 THY NU2: (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -40.0 -20.0 &rst iat = 303, 321, 319, 300, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 11 ADE NU2: (11 DA C1')-(11 DA C2')-(11 DA C3')-(11 DA C4') -40.0 -20.0 &rst iat = 335, 353, 351, 332, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 12 GUA NU2: (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -40.0 -20.0 &rst iat = 367, 386, 384, 364, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 13 GUA NU2: (13 DG C1')-(13 DG C2')-(13 DG C3')-(13 DG C4') -40.0 -20.0 &rst iat = 400, 419, 417, 397, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 14 GUA NU2: (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -40.0 -20.0 &rst iat = 433, 452, 450, 430, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 15 ADE NU2: (15 DA C1')-(15 DA C2')-(15 DA C3')-(15 DA C4') -40.0 -20.0 &rst iat = 466, 484, 482, 463, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 16 GUA NU2: (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -40.0 -20.0 &rst iat = 498, 517, 515, 495, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 17 GUA NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -40.0 -20.0 &rst iat = 531, 550, 548, 528, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 18 GUA NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -40.0 -20.0 &rst iat = 564, 583, 581, 561, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end # 19 THY NU2: (19 DT3 C1')-(19 DT3 C2')-(19 DT3 C3')-(19 DT3 C4') -40.0 -20.0 &rst iat = 597, 615, 613, 594, r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0, &end# Restraints file 3: amber.crd
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