NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
646692 |
6kn4   |
cing | 1-original | 3 | AMBER | dihedral angle |
# Restraints file 2: Angle.rst # 1040 atoms read from pdb file complexminim.pdb. # 2 DT ALPHA: (1 DT5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') -150.0 -30.0 &rst iat = 30, 31, 34, 35, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, rk2 = 200.0, rk3 = 200.0, / # 3 DA ALPHA: (2 DT O3')-(3 DA P)-(3 DA O5')-(3 DA C5') -150.0 -30.0 &rst iat = 62, 63, 66, 67, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 4 DG ALPHA: (3 DA O3')-(4 DG P)-(4 DG O5')-(4 DG C5') -150.0 -30.0 &rst iat = 94, 95, 98, 99, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 5 DG ALPHA: (4 DG O3')-(5 DG P)-(5 DG O5')-(5 DG C5') -150.0 -30.0 &rst iat = 127, 128, 131, 132, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 6 DG ALPHA: (5 DG O3')-(6 DG P)-(6 DG O5')-(6 DG C5') -150.0 -30.0 &rst iat = 160, 161, 164, 165, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 7 DT ALPHA: (6 DG O3')-(7 DT3 P)-(7 DT3 O5')-(7 DT3 C5') -150.0 -30.0 &rst iat = 193, 194, 197, 198, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 1 DT BETA: (2 DT P)-(1 DT5 O5')-(1 DT5 C5')-(1 DT5 C4') -230.0 -110.0 &rst iat = 31, 2, 3, 6, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 2 DT BETA: (2 DT P)-(2 DT O5')-(2 DT C5')-(2 DT C4') -230.0 -110.0 &rst iat = 31, 34, 35, 38, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 3 DA BETA: (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') -230.0 -110.0 &rst iat = 63, 66, 67, 70, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 4 DG BETA: (4 DG P)-(4 DG O5')-(4 DG C5')-(4 DG C4') -230.0 -110.0 &rst iat = 95, 98, 99, 102, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 5 DG BETA: (5 DG P)-(5 DG O5')-(5 DG C5')-(5 DG C4') -230.0 -110.0 &rst iat = 128, 131, 132, 135, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 6 DG BETA: (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') -230.0 -110.0 &rst iat = 161, 164, 165, 168, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 7 DT BETA: (7 DT3 P)-(7 DT3 O5')-(7 DT3 C5')-(7 DT3 C4') -230.0 -110.0 &rst iat = 194, 197, 198, 201, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 1 DT GAMMA: (1 DT5 O5')-(1 DT5 C5')-(1 DT5 C4')-(1 DT5 C3') 20.0 100.0 &rst iat = 2, 3, 6, 25, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 2 DT GAMMA: (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3') 20.0 100.0 &rst iat = 34, 35, 38, 57, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 3 DA GAMMA: (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3') 20.0 100.0 &rst iat = 66, 67, 70, 89, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 4 DG GAMMA: (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 20.0 100.0 &rst iat = 98, 99, 102, 122, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 5 DG GAMMA: (5 DG O5')-(5 DG C5')-(5 DG C4')-(5 DG C3') 20.0 100.0 &rst iat = 131, 132, 135, 155, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 6 DG GAMMA: (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3') 20.0 100.0 &rst iat = 164, 165, 168, 188, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 7 DT GAMMA: (7 DT3 O5')-(7 DT3 C5')-(7 DT3 C4')-(7 DT3 C3') 20.0 100.0 &rst iat = 197, 198, 201, 220, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 1 DT EPSLN: (1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3')-(2 DT P) -230.0 -110.0 &rst iat = 6, 25, 30, 31, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 2 DT EPSLN: (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DA P) -230.0 -110.0 &rst iat = 38, 57, 62, 63, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 3 DA EPSLN: (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 DG P) -230.0 -110.0 &rst iat = 70, 89, 94, 95, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 4 DG EPSLN: (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DG P) -230.0 -110.0 &rst iat = 102, 122, 127, 128, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 5 DG EPSLN: (5 DG C4')-(5 DG C3')-(5 DG O3')-(6 DG P) -230.0 -110.0 &rst iat = 135, 155, 160, 161, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 6 DG EPSLN: (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DT3 P) -230.0 -110.0 &rst iat = 168, 188, 193, 194, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 7 DT EPSLN: (7 DT3 C4')-(7 DT3 C3')-(7 DT3 O3')-(9 DT P) -230.0 -110.0 &rst iat = 201, 220, 225, 257, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 1 DT DELTA: (1 DT5 C5')-(1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3') 95.0 175.0 &rst iat = 3, 6, 25, 30, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 2 DT DELTA: (2 DT C5')-(2 DT C4')-(2 DT C3')-(2 DT O3') 95.0 175.0 &rst iat = 35, 38, 57, 62, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 3 DA DELTA: (3 DA C5')-(3 DA C4')-(3 DA C3')-(3 DA O3') 95.0 175.0 &rst iat = 67, 70, 89, 94, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 4 DG DELTA: (4 DG C5')-(4 DG C4')-(4 DG C3')-(4 DG O3') 95.0 175.0 &rst iat = 99, 102, 122, 127, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 5 DG DELTA: (5 DG C5')-(5 DG C4')-(5 DG C3')-(5 DG O3') 95.0 175.0 &rst iat = 132, 135, 155, 160, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 6 DG DELTA: (6 DG C5')-(6 DG C4')-(6 DG C3')-(6 DG O3') 95.0 175.0 &rst iat = 165, 168, 188, 193, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 7 DT DELTA: (7 DT3 C5')-(7 DT3 C4')-(7 DT3 C3')-(7 DT3 O3') 95.0 175.0 &rst iat = 198, 201, 220, 225, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 1 DT CHI: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 N1)-(1 DT5 C2) -155.0 -75.0 &rst iat = 8, 9, 11, 23, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 2 DT CHI: (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) -155.0 -75.0 &rst iat = 40, 41, 43, 55, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 3 DA CHI: (3 DA O4')-(3 DA C1')-(3 DA N9)-(3 DA C4) -155.0 -75.0 &rst iat = 72, 73, 75, 88, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 4 DG CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) -155.0 -75.0 &rst iat = 104, 105, 107, 121, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 5 DG CHI: (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) -155.0 -75.0 &rst iat = 137, 138, 140, 154, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 6 DG CHI: (6 DG O4')-(6 DG C1')-(6 DG N9)-(6 DG C4) -155.0 -75.0 &rst iat = 170, 171, 173, 187, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 7 DT CHI: (7 DT3 O4')-(7 DT3 C1')-(7 DT3 N1)-(7 DT3 C2) -155.0 -75.0 &rst iat = 203, 204, 206, 218, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 8 DT ALPHA: (7 DT3 O3')-(9 DT P)-(8 DT5 O5')-(8 DT5 C5') -150.0 -30.0 &rst iat = 225, 257, 228, 229, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 8 DT ALPHA: (7 DT3 O3')-(9 DT P)-(8 DT5 O5')-(8 DT5 C5') -150.0 -30.0 &rst iat = 225, 257, 228, 229, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 10 DA ALPHA: (9 DT O3')-(10 DA P)-(10 DA O5')-(10 DA C5') -150.0 -30.0 &rst iat = 288, 289, 292, 293, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 11 DG ALPHA: (10 DA O3')-(11 DG P)-(11 DG O5')-(11 DG C5') -150.0 -30.0 &rst iat = 320, 321, 324, 325, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 12 DG ALPHA: (11 DG O3')-(12 DG P)-(12 DG O5')-(12 DG C5') -150.0 -30.0 &rst iat = 353, 354, 357, 358, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 13 DG ALPHA: (12 DG O3')-(13 DG P)-(13 DG O5')-(13 DG C5') -150.0 -30.0 &rst iat = 386, 387, 390, 391, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 14 DT ALPHA: (13 DG O3')-(14 DT3 P)-(14 DT3 O5')-(14 DT3 C5') -150.0 -30.0 &rst iat = 419, 420, 423, 424, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 8 DT BETA: (9 DT P)-(8 DT5 O5')-(8 DT5 C5')-(8 DT5 C4') -230.0 -110.0 &rst iat = 257, 228, 229, 232, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 9 DT BETA: (9 DT P)-(9 DT O5')-(9 DT C5')-(9 DT C4') -230.0 -110.0 &rst iat = 257, 260, 261, 264, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 10 DA BETA: (10 DA P)-(10 DA O5')-(10 DA C5')-(10 DA C4') -230.0 -110.0 &rst iat = 289, 292, 293, 296, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 11 DG BETA: (11 DG P)-(11 DG O5')-(11 DG C5')-(11 DG C4') -230.0 -110.0 &rst iat = 321, 324, 325, 328, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 12 DG BETA: (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') -230.0 -110.0 &rst iat = 354, 357, 358, 361, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 13 DG BETA: (13 DG P)-(13 DG O5')-(13 DG C5')-(13 DG C4') -230.0 -110.0 &rst iat = 387, 390, 391, 394, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 14 DT BETA: (14 DT3 P)-(14 DT3 O5')-(14 DT3 C5')-(14 DT3 C4') -230.0 -110.0 &rst iat = 420, 423, 424, 427, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 8 DT GAMMA: (8 DT5 O5')-(8 DT5 C5')-(8 DT5 C4')-(8 DT5 C3') 20.0 100.0 &rst iat = 228, 229, 232, 251, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 9 DT GAMMA: (9 DT O5')-(9 DT C5')-(9 DT C4')-(9 DT C3') 20.0 100.0 &rst iat = 260, 261, 264, 283, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 10 DA GAMMA: (10 DA O5')-(10 DA C5')-(10 DA C4')-(10 DA C3') 20.0 100.0 &rst iat = 292, 293, 296, 315, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 11 DG GAMMA: (11 DG O5')-(11 DG C5')-(11 DG C4')-(11 DG C3') 20.0 100.0 &rst iat = 324, 325, 328, 348, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 12 DG GAMMA: (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3') 20.0 100.0 &rst iat = 357, 358, 361, 381, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 13 DG GAMMA: (13 DG O5')-(13 DG C5')-(13 DG C4')-(13 DG C3') 20.0 100.0 &rst iat = 390, 391, 394, 414, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 14 DT GAMMA: (14 DT3 O5')-(14 DT3 C5')-(14 DT3 C4')-(14 DT3 C3') 20.0 100.0 &rst iat = 423, 424, 427, 446, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 8 DT EPSLN: (8 DT5 C4')-(8 DT5 C3')-(8 DT5 O3')-(9 DT P) -230.0 -110.0 &rst iat = 232, 251, 256, 257, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 9 DT EPSLN: (9 DT C4')-(9 DT C3')-(9 DT O3')-(10 DA P) -230.0 -110.0 &rst iat = 264, 283, 288, 289, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 10 DA EPSLN: (10 DA C4')-(10 DA C3')-(10 DA O3')-(11 DG P) -230.0 -110.0 &rst iat = 296, 315, 320, 321, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 11 DG EPSLN: (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DG P) -230.0 -110.0 &rst iat = 328, 348, 353, 354, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 12 DG EPSLN: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG P) -230.0 -110.0 &rst iat = 361, 381, 386, 387, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 13 DG EPSLN: (13 DG C4')-(13 DG C3')-(13 DG O3')-(14 DT3 P) -230.0 -110.0 &rst iat = 394, 414, 419, 420, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 14 DT EPSLN: (14 DT3 C4')-(14 DT3 C3')-(14 DT3 O3')-(16 DT P) -230.0 -110.0 &rst iat = 427, 446, 451, 483, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 8 DT DELTA: (8 DT5 C5')-(8 DT5 C4')-(8 DT5 C3')-(8 DT5 O3') 95.0 175.0 &rst iat = 229, 232, 251, 256, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 9 DT DELTA: (9 DT C5')-(9 DT C4')-(9 DT C3')-(9 DT O3') 95.0 175.0 &rst iat = 261, 264, 283, 288, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 10 DA DELTA: (10 DA C5')-(10 DA C4')-(10 DA C3')-(10 DA O3') 95.0 175.0 &rst iat = 293, 296, 315, 320, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 11 DG DELTA: (11 DG C5')-(11 DG C4')-(11 DG C3')-(11 DG O3') 95.0 175.0 &rst iat = 325, 328, 348, 353, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 12 DG DELTA: (12 DG C5')-(12 DG C4')-(12 DG C3')-(12 DG O3') 95.0 175.0 &rst iat = 358, 361, 381, 386, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 13 DG DELTA: (13 DG C5')-(13 DG C4')-(13 DG C3')-(13 DG O3') 95.0 175.0 &rst iat = 391, 394, 414, 419, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 14 DT DELTA: (14 DT3 C5')-(14 DT3 C4')-(14 DT3 C3')-(14 DT3 O3') 95.0 175.0 &rst iat = 424, 427, 446, 451, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 8 DT CHI: (8 DT5 O4')-(8 DT5 C1')-(8 DT5 N1)-(8 DT5 C2) -155.0 -75.0 &rst iat = 234, 235, 237, 249, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 9 DT CHI: (9 DT O4')-(9 DT C1')-(9 DT N1)-(9 DT C2) -155.0 -75.0 &rst iat = 266, 267, 269, 281, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 10 DA CHI: (10 DA O4')-(10 DA C1')-(10 DA N9)-(10 DA C4) -155.0 -75.0 &rst iat = 298, 299, 301, 314, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 11 DG CHI: (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) -155.0 -75.0 &rst iat = 330, 331, 333, 347, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 12 DG CHI: (12 DG O4')-(12 DG C1')-(12 DG N9)-(12 DG C4) -155.0 -75.0 &rst iat = 363, 364, 366, 380, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 13 DG CHI: (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) -155.0 -75.0 &rst iat = 396, 397, 399, 413, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 14 DT CHI: (14 DT3 O4')-(14 DT3 C1')-(14 DT3 N1)-(14 DT3 C2) -155.0 -75.0 &rst iat = 429, 430, 432, 444, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 15 DT ALPHA: (14 DT3 O3')-(16 DT P)-(15 DT5 O5')-(15 DT5 C5') -150.0 -30.0 &rst iat = 451, 483, 454, 455, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 16 DT ALPHA: (15 DT5 O3')-(16 DT P)-(16 DT O5')-(16 DT C5') -150.0 -30.0 &rst iat = 482, 483, 486, 487, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 17 DA ALPHA: (16 DT O3')-(17 DA P)-(17 DA O5')-(17 DA C5') -150.0 -30.0 &rst iat = 514, 515, 518, 519, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 18 DG ALPHA: (17 DA O3')-(18 DG P)-(18 DG O5')-(18 DG C5') -150.0 -30.0 &rst iat = 546, 547, 550, 551, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 19 DG ALPHA: (18 DG O3')-(19 DG P)-(19 DG O5')-(19 DG C5') -150.0 -30.0 &rst iat = 579, 580, 583, 584, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 20 DG ALPHA: (19 DG O3')-(20 DG P)-(20 DG O5')-(20 DG C5') -150.0 -30.0 &rst iat = 612, 613, 616, 617, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 21 DT ALPHA: (20 DG O3')-(21 DT3 P)-(21 DT3 O5')-(21 DT3 C5') -150.0 -30.0 &rst iat = 645, 646, 649, 650, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 15 DT BETA: (16 DT P)-(15 DT5 O5')-(15 DT5 C5')-(15 DT5 C4') -230.0 -110.0 &rst iat = 483, 454, 455, 458, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 16 DT BETA: (16 DT P)-(16 DT O5')-(16 DT C5')-(16 DT C4') -230.0 -110.0 &rst iat = 483, 486, 487, 490, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 17 DA BETA: (17 DA P)-(17 DA O5')-(17 DA C5')-(17 DA C4') -230.0 -110.0 &rst iat = 515, 518, 519, 522, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 18 DG BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') -230.0 -110.0 &rst iat = 547, 550, 551, 554, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 19 DG BETA: (19 DG P)-(19 DG O5')-(19 DG C5')-(19 DG C4') -230.0 -110.0 &rst iat = 580, 583, 584, 587, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 20 DG BETA: (20 DG P)-(20 DG O5')-(20 DG C5')-(20 DG C4') -230.0 -110.0 &rst iat = 613, 616, 617, 620, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 21 DT BETA: (21 DT3 P)-(21 DT3 O5')-(21 DT3 C5')-(21 DT3 C4') -230.0 -110.0 &rst iat = 646, 649, 650, 653, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 15 DT GAMMA: (15 DT5 O5')-(15 DT5 C5')-(15 DT5 C4')-(15 DT5 C3') 20.0 100.0 &rst iat = 454, 455, 458, 477, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 16 DT GAMMA: (16 DT O5')-(16 DT C5')-(16 DT C4')-(16 DT C3') 20.0 100.0 &rst iat = 486, 487, 490, 509, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 17 DA GAMMA: (17 DA O5')-(17 DA C5')-(17 DA C4')-(17 DA C3') 20.0 100.0 &rst iat = 518, 519, 522, 541, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 18 DG GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 20.0 100.0 &rst iat = 550, 551, 554, 574, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 19 DG GAMMA: (19 DG O5')-(19 DG C5')-(19 DG C4')-(19 DG C3') 20.0 100.0 &rst iat = 583, 584, 587, 607, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 20 DG GAMMA: (20 DG O5')-(20 DG C5')-(20 DG C4')-(20 DG C3') 20.0 100.0 &rst iat = 616, 617, 620, 640, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 21 DT GAMMA: (21 DT3 O5')-(21 DT3 C5')-(21 DT3 C4')-(21 DT3 C3') 20.0 100.0 &rst iat = 649, 650, 653, 672, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 15 DT EPSLN: (15 DT5 C4')-(15 DT5 C3')-(15 DT5 O3')-(16 DT P) -230.0 -110.0 &rst iat = 458, 477, 482, 483, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 16 DT EPSLN: (16 DT C4')-(16 DT C3')-(16 DT O3')-(17 DA P) -230.0 -110.0 &rst iat = 490, 509, 514, 515, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 17 DA EPSLN: (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DG P) -230.0 -110.0 &rst iat = 522, 541, 546, 547, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 18 DG EPSLN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DG P) -230.0 -110.0 &rst iat = 554, 574, 579, 580, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 19 DG EPSLN: (19 DG C4')-(19 DG C3')-(19 DG O3')-(20 DG P) -230.0 -110.0 &rst iat = 587, 607, 612, 613, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 20 DG EPSLN: (20 DG C4')-(20 DG C3')-(20 DG O3')-(21 DT3 P) -230.0 -110.0 &rst iat = 620, 640, 645, 646, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 21 DT EPSLN: (21 DT3 C4')-(21 DT3 C3')-(21 DT3 O3')-(23 DT P) -230.0 -110.0 &rst iat = 653, 672, 677, 709, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 15 DT DELTA: (15 DT5 C5')-(15 DT5 C4')-(15 DT5 C3')-(15 DT5 O3') 95.0 175.0 &rst iat = 455, 458, 477, 482, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 16 DT DELTA: (16 DT C5')-(16 DT C4')-(16 DT C3')-(16 DT O3') 95.0 175.0 &rst iat = 487, 490, 509, 514, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 17 DA DELTA: (17 DA C5')-(17 DA C4')-(17 DA C3')-(17 DA O3') 95.0 175.0 &rst iat = 519, 522, 541, 546, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 18 DG DELTA: (18 DG C5')-(18 DG C4')-(18 DG C3')-(18 DG O3') 95.0 175.0 &rst iat = 551, 554, 574, 579, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 19 DG DELTA: (19 DG C5')-(19 DG C4')-(19 DG C3')-(19 DG O3') 95.0 175.0 &rst iat = 584, 587, 607, 612, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 20 DG DELTA: (20 DG C5')-(20 DG C4')-(20 DG C3')-(20 DG O3') 95.0 175.0 &rst iat = 617, 620, 640, 645, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 21 DT DELTA: (21 DT3 C5')-(21 DT3 C4')-(21 DT3 C3')-(21 DT3 O3') 95.0 175.0 &rst iat = 650, 653, 672, 677, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 15 DT CHI: (15 DT5 O4')-(15 DT5 C1')-(15 DT5 N1)-(15 DT5 C2) -155.0 -75.0 &rst iat = 460, 461, 463, 475, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 16 DT CHI: (16 DT O4')-(16 DT C1')-(16 DT N1)-(16 DT C2) -155.0 -75.0 &rst iat = 492, 493, 495, 507, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 17 DA CHI: (17 DA O4')-(17 DA C1')-(17 DA N9)-(17 DA C4) -155.0 -75.0 &rst iat = 524, 525, 527, 540, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 18 DG CHI: (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) -155.0 -75.0 &rst iat = 556, 557, 559, 573, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 19 DG CHI: (19 DG O4')-(19 DG C1')-(19 DG N9)-(19 DG C4) -155.0 -75.0 &rst iat = 589, 590, 592, 606, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 20 DG CHI: (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) -155.0 -75.0 &rst iat = 622, 623, 625, 639, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 21 DT CHI: (21 DT3 O4')-(21 DT3 C1')-(21 DT3 N1)-(21 DT3 C2) -155.0 -75.0 &rst iat = 655, 656, 658, 670, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 22 DT ALPHA: (21 DT3 O3')-(23 DT P)-(22 DT5 O5')-(22 DT5 C5') -150.0 -30.0 &rst iat = 677, 709, 680, 681, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 23 DT ALPHA: (22 DT5 O3')-(23 DT P)-(23 DT O5')-(23 DT C5') -150.0 -30.0 &rst iat = 708, 709, 712, 713, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 24 DA ALPHA: (23 DT O3')-(24 DA P)-(24 DA O5')-(24 DA C5') -150.0 -30.0 &rst iat = 740, 741, 744, 745, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 25 DG ALPHA: (24 DA O3')-(25 DG P)-(25 DG O5')-(25 DG C5') -150.0 -30.0 &rst iat = 772, 773, 776, 777, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 26 DG ALPHA: (25 DG O3')-(26 DG P)-(26 DG O5')-(26 DG C5') -150.0 -30.0 &rst iat = 805, 806, 809, 810, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 27 DG ALPHA: (26 DG O3')-(27 DG P)-(27 DG O5')-(27 DG C5') -150.0 -30.0 &rst iat = 838, 839, 842, 843, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 28 DT ALPHA: (27 DG O3')-(28 DT3 P)-(28 DT3 O5')-(28 DT3 C5') -150.0 -30.0 &rst iat = 871, 872, 875, 876, r1 = -151.0, r2 = -150.0, r3 = -30.0, r4 = -29.0, / # 22 DT BETA: (23 DT P)-(22 DT5 O5')-(22 DT5 C5')-(22 DT5 C4') -230.0 -110.0 &rst iat = 709, 680, 681, 684, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 23 DT BETA: (23 DT P)-(23 DT O5')-(23 DT C5')-(23 DT C4') -230.0 -110.0 &rst iat = 709, 712, 713, 716, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 24 DA BETA: (24 DA P)-(24 DA O5')-(24 DA C5')-(24 DA C4') -230.0 -110.0 &rst iat = 741, 744, 745, 748, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 25 DG BETA: (25 DG P)-(25 DG O5')-(25 DG C5')-(25 DG C4') -230.0 -110.0 &rst iat = 773, 776, 777, 780, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 26 DG BETA: (26 DG P)-(26 DG O5')-(26 DG C5')-(26 DG C4') -230.0 -110.0 &rst iat = 806, 809, 810, 813, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 27 DG BETA: (27 DG P)-(27 DG O5')-(27 DG C5')-(27 DG C4') -230.0 -110.0 &rst iat = 839, 842, 843, 846, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 28 DT BETA: (28 DT3 P)-(28 DT3 O5')-(28 DT3 C5')-(28 DT3 C4') -230.0 -110.0 &rst iat = 872, 875, 876, 879, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 22 DT GAMMA: (22 DT5 O5')-(22 DT5 C5')-(22 DT5 C4')-(22 DT5 C3') 20.0 100.0 &rst iat = 680, 681, 684, 703, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 23 DT GAMMA: (23 DT O5')-(23 DT C5')-(23 DT C4')-(23 DT C3') 20.0 100.0 &rst iat = 712, 713, 716, 735, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 24 DA GAMMA: (24 DA O5')-(24 DA C5')-(24 DA C4')-(24 DA C3') 20.0 100.0 &rst iat = 744, 745, 748, 767, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 25 DG GAMMA: (25 DG O5')-(25 DG C5')-(25 DG C4')-(25 DG C3') 20.0 100.0 &rst iat = 776, 777, 780, 800, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 26 DG GAMMA: (26 DG O5')-(26 DG C5')-(26 DG C4')-(26 DG C3') 20.0 100.0 &rst iat = 809, 810, 813, 833, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 27 DG GAMMA: (27 DG O5')-(27 DG C5')-(27 DG C4')-(27 DG C3') 20.0 100.0 &rst iat = 842, 843, 846, 866, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 28 DT GAMMA: (28 DT3 O5')-(28 DT3 C5')-(28 DT3 C4')-(28 DT3 C3') 20.0 100.0 &rst iat = 875, 876, 879, 898, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, / # 22 DT EPSLN: (22 DT5 C4')-(22 DT5 C3')-(22 DT5 O3')-(23 DT P) -230.0 -110.0 &rst iat = 684, 703, 708, 709, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 23 DT EPSLN: (23 DT C4')-(23 DT C3')-(23 DT O3')-(24 DA P) -230.0 -110.0 &rst iat = 716, 735, 740, 741, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 24 DA EPSLN: (24 DA C4')-(24 DA C3')-(24 DA O3')-(25 DG P) -230.0 -110.0 &rst iat = 748, 767, 772, 773, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 25 DG EPSLN: (25 DG C4')-(25 DG C3')-(25 DG O3')-(26 DG P) -230.0 -110.0 &rst iat = 780, 800, 805, 806, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 26 DG EPSLN: (26 DG C4')-(26 DG C3')-(26 DG O3')-(27 DG P) -230.0 -110.0 &rst iat = 813, 833, 838, 839, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 27 DG EPSLN: (27 DG C4')-(27 DG C3')-(27 DG O3')-(28 DT3 P) -230.0 -110.0 &rst iat = 846, 866, 871, 872, r1 = -231.0, r2 = -230.0, r3 = -110.0, r4 = -109.0, / # 22 DT DELTA: (22 DT5 C5')-(22 DT5 C4')-(22 DT5 C3')-(22 DT5 O3') 95.0 175.0 &rst iat = 681, 684, 703, 708, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 23 DT DELTA: (23 DT C5')-(23 DT C4')-(23 DT C3')-(23 DT O3') 95.0 175.0 &rst iat = 713, 716, 735, 740, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 24 DA DELTA: (24 DA C5')-(24 DA C4')-(24 DA C3')-(24 DA O3') 95.0 175.0 &rst iat = 745, 748, 767, 772, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 25 DG DELTA: (25 DG C5')-(25 DG C4')-(25 DG C3')-(25 DG O3') 95.0 175.0 &rst iat = 777, 780, 800, 805, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 26 DG DELTA: (26 DG C5')-(26 DG C4')-(26 DG C3')-(26 DG O3') 95.0 175.0 &rst iat = 810, 813, 833, 838, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 27 DG DELTA: (27 DG C5')-(27 DG C4')-(27 DG C3')-(27 DG O3') 95.0 175.0 &rst iat = 843, 846, 866, 871, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 28 DT DELTA: (28 DT3 C5')-(28 DT3 C4')-(28 DT3 C3')-(28 DT3 O3') 95.0 175.0 &rst iat = 876, 879, 898, 903, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, / # 22 DT CHI: (22 DT5 O4')-(22 DT5 C1')-(22 DT5 N1)-(22 DT5 C2) -155.0 -75.0 &rst iat = 686, 687, 689, 701, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 23 DT CHI: (23 DT O4')-(23 DT C1')-(23 DT N1)-(23 DT C2) -155.0 -75.0 &rst iat = 718, 719, 721, 733, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 24 DA CHI: (24 DA O4')-(24 DA C1')-(24 DA N9)-(24 DA C4) -155.0 -75.0 &rst iat = 750, 751, 753, 766, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 25 DG CHI: (25 DG O4')-(25 DG C1')-(25 DG N9)-(25 DG C4) -155.0 -75.0 &rst iat = 782, 783, 785, 799, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 26 DG CHI: (26 DG O4')-(26 DG C1')-(26 DG N9)-(26 DG C4) -155.0 -75.0 &rst iat = 815, 816, 818, 832, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 27 DG CHI: (27 DG O4')-(27 DG C1')-(27 DG N9)-(27 DG C4) -155.0 -75.0 &rst iat = 848, 849, 851, 865, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, / # 28 DT CHI: (28 DT3 O4')-(28 DT3 C1')-(28 DT3 N1)-(28 DT3 C2) -155.0 -75.0 &rst iat = 881, 882, 884, 896, r1 = -156.0, r2 = -155.0, r3 = -75.0, r4 = -74.0, /
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