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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647047 |
6r14   |
34378 | cing | 1-original | 3 | AMBER | dihedral angle |
# 41894 atoms read from pdb file kiteplatin_start.pdb. # 1 CYT GAMMA: (1 DC5 O5')-(1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3') -4.0 76.0 &rst iat = 2, 3, 6, 23, r1 = -5.0, r2 = -4.0, r3 = 76.0, r4 = 77.0, rk2 = 20.0, rk3 = 20.0, &end # 1 CYT DELTA: (1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3') 55.0 135.0 &rst iat = 3, 6, 23, 28, r1 = 54.0, r2 = 55.0, r3 = 135.0, r4 = 136.0, &end # 1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DC P)-(2 DC O5') -132.0 -52.0 &rst iat = 23, 28, 29, 32, r1 = -133.0, r2 = -132.0, r3 = -52.0, r4 = -51.0, &end # 1 CYT CHI: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) -174.0 -94.0 &rst iat = 8, 9, 11, 21, r1 = -175.0, r2 = -174.0, r3 = -94.0, r4 = -93.0, &end # 2 CYT ALPHA: (1 DC5 O3')-(2 DC P)-(2 DC O5')-(2 DC C5') -88.0 -8.0 &rst iat = 28, 29, 32, 33, r1 = -89.0, r2 = -88.0, r3 = -8.0, r4 = -7.0, &end # 2 CYT GAMMA: (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3') 9.0 89.0 &rst iat = 32, 33, 36, 53, r1 = 8.0, r2 = 9.0, r3 = 89.0, r4 = 90.0, &end # 2 CYT DELTA: (2 DC C5')-(2 DC C4')-(2 DC C3')-(2 DC O3') 71.0 151.0 &rst iat = 33, 36, 53, 58, r1 = 70.0, r2 = 71.0, r3 = 151.0, r4 = 152.0, &end # 2 CYT ZETA: (2 DC C3')-(2 DC O3')-(3 DT P)-(3 DT O5') -132.0 -52.0 &rst iat = 53, 58, 59, 62, r1 = -133.0, r2 = -132.0, r3 = -52.0, r4 = -51.0, &end # 2 CYT CHI: (2 DC O4')-(2 DC C1')-(2 DC N1)-(2 DC C2) -176.0 -96.0 &rst iat = 38, 39, 41, 51, r1 = -177.0, r2 = -176.0, r3 = -96.0, r4 = -95.0, &end # 3 THY ALPHA: (2 DC O3')-(3 DT P)-(3 DT O5')-(3 DT C5') -82.0 -2.0 &rst iat = 58, 59, 62, 63, r1 = -83.0, r2 = -82.0, r3 = -2.0, r4 = -1.0, &end # 3 THY GAMMA: (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3') -4.0 76.0 &rst iat = 62, 63, 66, 85, r1 = -5.0, r2 = -4.0, r3 = 76.0, r4 = 77.0, &end # 3 THY DELTA: (3 DT C5')-(3 DT C4')-(3 DT C3')-(3 DT O3') 71.0 151.0 &rst iat = 63, 66, 85, 90, r1 = 70.0, r2 = 71.0, r3 = 151.0, r4 = 152.0, &end # 3 THY ZETA: (3 DT C3')-(3 DT O3')-(4 DC P)-(4 DC O5') -124.0 -44.0 &rst iat = 85, 90, 91, 94, r1 = -125.0, r2 = -124.0, r3 = -44.0, r4 = -43.0, &end # 3 THY CHI: (3 DT O4')-(3 DT C1')-(3 DT N1)-(3 DT C2) -171.0 -91.0 &rst iat = 68, 69, 71, 83, r1 = -172.0, r2 = -171.0, r3 = -91.0, r4 = -90.0, &end # 4 CYT ALPHA: (3 DT O3')-(4 DC P)-(4 DC O5')-(4 DC C5') -102.0 -22.0 &rst iat = 90, 91, 94, 95, r1 = -103.0, r2 = -102.0, r3 = -22.0, r4 = -21.0, &end # 4 CYT GAMMA: (4 DC O5')-(4 DC C5')-(4 DC C4')-(4 DC C3') 9.0 89.0 &rst iat = 94, 95, 98, 115, r1 = 8.0, r2 = 9.0, r3 = 89.0, r4 = 90.0, &end # 4 CYT DELTA: (4 DC C5')-(4 DC C4')-(4 DC C3')-(4 DC O3') 84.0 164.0 &rst iat = 95, 98, 115, 120, r1 = 83.0, r2 = 84.0, r3 = 164.0, r4 = 165.0, &end # 6 GUA ALPHA: (5 DA O3')-(6 DG P)-(6 DG O5')-(6 DG C5') -69.0 11.0 &rst iat = 152, 153, 156, 157, r1 = -70.0, r2 = -69.0, r3 = 11.0, r4 = 12.0, &end # 6 GUA DELTA: (6 DG C5')-(6 DG C4')-(6 DG C3')-(6 DG O3') 60.0 140.0 &rst iat = 157, 160, 165, 170, r1 = 59.0, r2 = 60.0, r3 = 140.0, r4 = 141.0, &end # 6 GUA ZETA: (6 DG C3')-(6 DG O3')-(7 DG P)-(7 DG O5') -96.0 -16.0 &rst iat = 165, 170, 171, 174, r1 = -97.0, r2 = -96.0, r3 = -16.0, r4 = -15.0, &end # 7 GUA DELTA: (7 DG C5')-(7 DG C4')-(7 DG C3')-(7 DG O3') 74.0 154.0 &rst iat = 175, 178, 183, 188, r1 = 73.0, r2 = 74.0, r3 = 154.0, r4 = 155.0, &end # 7 GUA EPSLN: (7 DG C4')-(7 DG C3')-(7 DG O3')-(8 DC P) -198.0 -118.0 &rst iat = 178, 183, 188, 189, r1 = -199.0, r2 = -198.0, r3 = -118.0, r4 = -117.0, &end # 7 GUA ZETA: (7 DG C3')-(7 DG O3')-(8 DC P)-(8 DC O5') -143.0 -63.0 &rst iat = 183, 188, 189, 192, r1 = -144.0, r2 = -143.0, r3 = -63.0, r4 = -62.0, &end # 9 CYT ALPHA: (8 DC O3')-(9 DC P)-(9 DC O5')-(9 DC C5') -104.0 -24.0 &rst iat = 218, 219, 222, 223, r1 = -105.0, r2 = -104.0, r3 = -24.0, r4 = -23.0, &end # 9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 9.0 89.0 &rst iat = 222, 223, 226, 243, r1 = 8.0, r2 = 9.0, r3 = 89.0, r4 = 90.0, &end # 9 CYT DELTA: (9 DC C5')-(9 DC C4')-(9 DC C3')-(9 DC O3') 71.0 151.0 &rst iat = 223, 226, 243, 248, r1 = 70.0, r2 = 71.0, r3 = 151.0, r4 = 152.0, &end # 9 CYT EPSLN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DT P) -208.0 -128.0 &rst iat = 226, 243, 248, 249, r1 = -209.0, r2 = -208.0, r3 = -128.0, r4 = -127.0, &end # 9 CYT ZETA: (9 DC C3')-(9 DC O3')-(10 DT P)-(10 DT O5') -130.0 -50.0 &rst iat = 243, 248, 249, 252, r1 = -131.0, r2 = -130.0, r3 = -50.0, r4 = -49.0, &end # 9 CYT CHI: (9 DC O4')-(9 DC C1')-(9 DC N1)-(9 DC C2) -170.0 -90.0 &rst iat = 228, 229, 231, 241, r1 = -171.0, r2 = -170.0, r3 = -90.0, r4 = -89.0, &end # 10 THY ALPHA: (9 DC O3')-(10 DT P)-(10 DT O5')-(10 DT C5') -88.0 -8.0 &rst iat = 248, 249, 252, 253, r1 = -89.0, r2 = -88.0, r3 = -8.0, r4 = -7.0, &end # 10 THY GAMMA: (10 DT O5')-(10 DT C5')-(10 DT C4')-(10 DT C3') 4.0 84.0 &rst iat = 252, 253, 256, 275, r1 = 3.0, r2 = 4.0, r3 = 84.0, r4 = 85.0, &end # 10 THY DELTA: (10 DT C5')-(10 DT C4')-(10 DT C3')-(10 DT O3') 82.0 162.0 &rst iat = 253, 256, 275, 280, r1 = 81.0, r2 = 82.0, r3 = 162.0, r4 = 163.0, &end # 10 THY ZETA: (10 DT C3')-(10 DT O3')-(11 DC P)-(11 DC O5') -132.0 -52.0 &rst iat = 275, 280, 281, 284, r1 = -133.0, r2 = -132.0, r3 = -52.0, r4 = -51.0, &end # 10 THY CHI: (10 DT O4')-(10 DT C1')-(10 DT N1)-(10 DT C2) -158.0 -78.0 &rst iat = 258, 259, 261, 273, r1 = -159.0, r2 = -158.0, r3 = -78.0, r4 = -77.0, &end # 11 CYT ALPHA: (10 DT O3')-(11 DC P)-(11 DC O5')-(11 DC C5') -104.0 -24.0 &rst iat = 280, 281, 284, 285, r1 = -105.0, r2 = -104.0, r3 = -24.0, r4 = -23.0, &end # 11 CYT GAMMA: (11 DC O5')-(11 DC C5')-(11 DC C4')-(11 DC C3') 12.0 92.0 &rst iat = 284, 285, 288, 305, r1 = 11.0, r2 = 12.0, r3 = 92.0, r4 = 93.0, &end # 11 CYT DELTA: (11 DC C5')-(11 DC C4')-(11 DC C3')-(11 DC O3') 84.0 164.0 &rst iat = 285, 288, 305, 310, r1 = 83.0, r2 = 84.0, r3 = 164.0, r4 = 165.0, &end # 11 CYT EPSLN: (11 DC C4')-(11 DC C3')-(11 DC O3')-(12 DC3 P) -189.0 -109.0 &rst iat = 288, 305, 310, 311, r1 = -190.0, r2 = -189.0, r3 = -109.0, r4 = -108.0, &end # 11 CYT ZETA: (11 DC C3')-(11 DC O3')-(12 DC3 P)-(12 DC3 O5') -143.0 -63.0 &rst iat = 305, 310, 311, 314, r1 = -144.0, r2 = -143.0, r3 = -63.0, r4 = -62.0, &end # 11 CYT CHI: (11 DC O4')-(11 DC C1')-(11 DC N1)-(11 DC C2) -151.0 -71.0 &rst iat = 290, 291, 293, 303, r1 = -152.0, r2 = -151.0, r3 = -71.0, r4 = -70.0, &end # 12 CYT ALPHA: (11 DC O3')-(12 DC3 P)-(12 DC3 O5')-(12 DC3 C5') -106.0 -26.0 &rst iat = 310, 311, 314, 315, r1 = -107.0, r2 = -106.0, r3 = -26.0, r4 = -25.0, &end # 12 CYT GAMMA: (12 DC3 O5')-(12 DC3 C5')-(12 DC3 C4')-(12 DC3 C3') -3.0 77.0 &rst iat = 314, 315, 318, 335, r1 = -4.0, r2 = -3.0, r3 = 77.0, r4 = 78.0, &end # 12 CYT DELTA: (12 DC3 C5')-(12 DC3 C4')-(12 DC3 C3')-(12 DC3 O3') 56.0 136.0 &rst iat = 315, 318, 335, 340, r1 = 55.0, r2 = 56.0, r3 = 136.0, r4 = 137.0, &end # 12 CYT CHI: (12 DC3 O4')-(12 DC3 C1')-(12 DC3 N1)-(12 DC3 C2) -158.0 -78.0 &rst iat = 320, 321, 323, 333, r1 = -159.0, r2 = -158.0, r3 = -78.0, r4 = -77.0, &end # 13 GUA DELTA: (13 DG5 C5')-(13 DG5 C4')-(13 DG5 C3')-(13 DG5 O3') 82.0 162.0 &rst iat = 344, 347, 367, 372, r1 = 81.0, r2 = 82.0, r3 = 162.0, r4 = 163.0, &end # 13 GUA CHI: (13 DG5 O4')-(13 DG5 C1')-(13 DG5 N9)-(13 DG5 C4) -174.0 -94.0 &rst iat = 349, 350, 352, 366, r1 = -175.0, r2 = -174.0, r3 = -94.0, r4 = -93.0, &end # 14 GUA ALPHA: (13 DG5 O3')-(14 DG P)-(14 DG O5')-(14 DG C5') -113.0 -33.0 &rst iat = 372, 373, 376, 377, r1 = -114.0, r2 = -113.0, r3 = -33.0, r4 = -32.0, &end # 14 GUA GAMMA: (14 DG O5')-(14 DG C5')-(14 DG C4')-(14 DG C3') 4.0 84.0 &rst iat = 376, 377, 380, 400, r1 = 3.0, r2 = 4.0, r3 = 84.0, r4 = 85.0, &end # 14 GUA DELTA: (14 DG C5')-(14 DG C4')-(14 DG C3')-(14 DG O3') 64.0 144.0 &rst iat = 377, 380, 400, 405, r1 = 63.0, r2 = 64.0, r3 = 144.0, r4 = 145.0, &end # 14 GUA ZETA: (14 DG C3')-(14 DG O3')-(15 DA P)-(15 DA O5') -146.0 -66.0 &rst iat = 400, 405, 406, 409, r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0, &end # 14 GUA CHI: (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) -165.0 -85.0 &rst iat = 382, 383, 385, 399, r1 = -166.0, r2 = -165.0, r3 = -85.0, r4 = -84.0, &end # 15 ADE ALPHA: (14 DG O3')-(15 DA P)-(15 DA O5')-(15 DA C5') -92.0 -12.0 &rst iat = 405, 406, 409, 410, r1 = -93.0, r2 = -92.0, r3 = -12.0, r4 = -11.0, &end # 15 ADE GAMMA: (15 DA O5')-(15 DA C5')-(15 DA C4')-(15 DA C3') 1.0 81.0 &rst iat = 409, 410, 413, 432, r1 = 0.0, r2 = 1.0, r3 = 81.0, r4 = 82.0, &end # 15 ADE DELTA: (15 DA C5')-(15 DA C4')-(15 DA C3')-(15 DA O3') 72.0 152.0 &rst iat = 410, 413, 432, 437, r1 = 71.0, r2 = 72.0, r3 = 152.0, r4 = 153.0, &end # 15 ADE ZETA: (15 DA C3')-(15 DA O3')-(16 DG P)-(16 DG O5') -120.0 -40.0 &rst iat = 432, 437, 438, 441, r1 = -121.0, r2 = -120.0, r3 = -40.0, r4 = -39.0, &end # 15 ADE CHI: (15 DA O4')-(15 DA C1')-(15 DA N9)-(15 DA C4) -170.0 -90.0 &rst iat = 415, 416, 418, 431, r1 = -171.0, r2 = -170.0, r3 = -90.0, r4 = -89.0, &end # 16 GUA ALPHA: (15 DA O3')-(16 DG P)-(16 DG O5')-(16 DG C5') -105.0 -25.0 &rst iat = 437, 438, 441, 442, r1 = -106.0, r2 = -105.0, r3 = -25.0, r4 = -24.0, &end # 16 GUA GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 16.0 96.0 &rst iat = 441, 442, 445, 465, r1 = 15.0, r2 = 16.0, r3 = 96.0, r4 = 97.0, &end # 16 GUA DELTA: (16 DG C5')-(16 DG C4')-(16 DG C3')-(16 DG O3') 68.0 148.0 &rst iat = 442, 445, 465, 470, r1 = 67.0, r2 = 68.0, r3 = 148.0, r4 = 149.0, &end # 16 GUA ZETA: (16 DG C3')-(16 DG O3')-(17 DG P)-(17 DG O5') -129.0 -49.0 &rst iat = 465, 470, 471, 474, r1 = -130.0, r2 = -129.0, r3 = -49.0, r4 = -48.0, &end # 16 GUA CHI: (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) -171.0 -91.0 &rst iat = 447, 448, 450, 464, r1 = -172.0, r2 = -171.0, r3 = -91.0, r4 = -90.0, &end # 18 CYT GAMMA: (18 DC O5')-(18 DC C5')-(18 DC C4')-(18 DC C3') 28.0 108.0 &rst iat = 507, 508, 511, 528, r1 = 27.0, r2 = 28.0, r3 = 108.0, r4 = 109.0, &end # 18 CYT DELTA: (18 DC C5')-(18 DC C4')-(18 DC C3')-(18 DC O3') 67.0 147.0 &rst iat = 508, 511, 528, 533, r1 = 66.0, r2 = 67.0, r3 = 147.0, r4 = 148.0, &end # 18 CYT ZETA: (18 DC C3')-(18 DC O3')-(19 DC P)-(19 DC O5') -116.0 -36.0 &rst iat = 528, 533, 534, 537, r1 = -117.0, r2 = -116.0, r3 = -36.0, r4 = -35.0, &end # 18 CYT CHI: (18 DC O4')-(18 DC C1')-(18 DC N1)-(18 DC C2) -171.0 -91.0 &rst iat = 513, 514, 516, 526, r1 = -172.0, r2 = -171.0, r3 = -91.0, r4 = -90.0, &end # 19 CYT ALPHA: (18 DC O3')-(19 DC P)-(19 DC O5')-(19 DC C5') -116.0 -36.0 &rst iat = 533, 534, 537, 538, r1 = -117.0, r2 = -116.0, r3 = -36.0, r4 = -35.0, &end # 19 CYT BETA: (19 DC P)-(19 DC O5')-(19 DC C5')-(19 DC C4') 122.0 202.0 &rst iat = 534, 537, 538, 541, r1 = 121.0, r2 = 122.0, r3 = 202.0, r4 = 203.0, &end # 19 CYT GAMMA: (19 DC O5')-(19 DC C5')-(19 DC C4')-(19 DC C3') 33.0 113.0 &rst iat = 537, 538, 541, 558, r1 = 32.0, r2 = 33.0, r3 = 113.0, r4 = 114.0, &end # 19 CYT DELTA: (19 DC C5')-(19 DC C4')-(19 DC C3')-(19 DC O3') 58.0 138.0 &rst iat = 538, 541, 558, 563, r1 = 57.0, r2 = 58.0, r3 = 138.0, r4 = 139.0, &end # 19 CYT ZETA: (19 DC C3')-(19 DC O3')-(20 DT P)-(20 DT O5') -106.0 -26.0 &rst iat = 558, 563, 564, 567, r1 = -107.0, r2 = -106.0, r3 = -26.0, r4 = -25.0, &end # 19 CYT CHI: (19 DC O4')-(19 DC C1')-(19 DC N1)-(19 DC C2) -184.0 -104.0 &rst iat = 543, 544, 546, 556, r1 = -185.0, r2 = -184.0, r3 = -104.0, r4 = -103.0, &end # 21 GUA ALPHA: (20 DT O3')-(21 DG P)-(21 DG O5')-(21 DG C5') -80.0 0.0 &rst iat = 595, 596, 599, 600, r1 = -81.0, r2 = -80.0, r3 = 0.0, r4 = 1.0, &end # 21 GUA GAMMA: (21 DG O5')-(21 DG C5')-(21 DG C4')-(21 DG C3') 31.0 111.0 &rst iat = 599, 600, 603, 623, r1 = 30.0, r2 = 31.0, r3 = 111.0, r4 = 112.0, &end # 21 GUA DELTA: (21 DG C5')-(21 DG C4')-(21 DG C3')-(21 DG O3') 87.0 167.0 &rst iat = 600, 603, 623, 628, r1 = 86.0, r2 = 87.0, r3 = 167.0, r4 = 168.0, &end # 21 GUA ZETA: (21 DG C3')-(21 DG O3')-(22 DA P)-(22 DA O5') -149.0 -69.0 &rst iat = 623, 628, 629, 632, r1 = -150.0, r2 = -149.0, r3 = -69.0, r4 = -68.0, &end # 21 GUA CHI: (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) -150.0 -70.0 &rst iat = 605, 606, 608, 622, r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0, &end # 22 ADE ALPHA: (21 DG O3')-(22 DA P)-(22 DA O5')-(22 DA C5') -99.0 -19.0 &rst iat = 628, 629, 632, 633, r1 = -100.0, r2 = -99.0, r3 = -19.0, r4 = -18.0, &end # 22 ADE GAMMA: (22 DA O5')-(22 DA C5')-(22 DA C4')-(22 DA C3') -8.0 72.0 &rst iat = 632, 633, 636, 655, r1 = -9.0, r2 = -8.0, r3 = 72.0, r4 = 73.0, &end # 22 ADE DELTA: (22 DA C5')-(22 DA C4')-(22 DA C3')-(22 DA O3') 95.0 175.0 &rst iat = 633, 636, 655, 660, r1 = 94.0, r2 = 95.0, r3 = 175.0, r4 = 176.0, &end # 22 ADE CHI: (22 DA O4')-(22 DA C1')-(22 DA N9)-(22 DA C4) -144.0 -64.0 &rst iat = 638, 639, 641, 654, r1 = -145.0, r2 = -144.0, r3 = -64.0, r4 = -63.0, &end # 23 GUA ALPHA: (22 DA O3')-(23 DG P)-(23 DG O5')-(23 DG C5') -98.0 -18.0 &rst iat = 660, 661, 664, 665, r1 = -99.0, r2 = -98.0, r3 = -18.0, r4 = -17.0, &end # 23 GUA GAMMA: (23 DG O5')-(23 DG C5')-(23 DG C4')-(23 DG C3') 14.0 94.0 &rst iat = 664, 665, 668, 688, r1 = 13.0, r2 = 14.0, r3 = 94.0, r4 = 95.0, &end # 23 GUA DELTA: (23 DG C5')-(23 DG C4')-(23 DG C3')-(23 DG O3') 101.0 181.0 &rst iat = 665, 668, 688, 693, r1 = 100.0, r2 = 101.0, r3 = 181.0, r4 = 182.0, &end # 23 GUA CHI: (23 DG O4')-(23 DG C1')-(23 DG N9)-(23 DG C4) -142.0 -62.0 &rst iat = 670, 671, 673, 687, r1 = -143.0, r2 = -142.0, r3 = -62.0, r4 = -61.0, &end # 24 GUA DELTA: (24 DG3 C5')-(24 DG3 C4')-(24 DG3 C3')-(24 DG3 O3') 79.0 159.0 &rst iat = 698, 701, 721, 726, r1 = 78.0, r2 = 79.0, r3 = 159.0, r4 = 160.0, &end # 24 GUA CHI: (24 DG3 O4')-(24 DG3 C1')-(24 DG3 N9)-(24 DG3 C4) -146.0 -66.0 &rst iat = 703, 704, 706, 720, r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0, &end # 41894 atoms read from pdb file kiteplatin_start.pdb. # 1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -36.5 -6.5 &rst iat = 6, 8, 9, 25, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, rk2 = 20.0, rk3 = 20.0, &end # 1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') 19.8 49.8 &rst iat = 8, 9, 25, 23, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -49.8 -19.8 &rst iat = 9, 25, 23, 6, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') 6.5 36.5 &rst iat = 25, 23, 6, 8, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') -15.0 15.0 &rst iat = 23, 6, 8, 9, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 2 CYT NU0: (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') -36.5 -6.5 &rst iat = 36, 38, 39, 55, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 2 CYT NU1: (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3') 19.8 49.8 &rst iat = 38, 39, 55, 53, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 2 CYT NU2: (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') -49.8 -19.8 &rst iat = 39, 55, 53, 36, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 2 CYT NU3: (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4') 6.5 36.5 &rst iat = 55, 53, 36, 38, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 2 CYT NU4: (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1') -15.0 15.0 &rst iat = 53, 36, 38, 39, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 3 THY NU0: (3 DT C4')-(3 DT O4')-(3 DT C1')-(3 DT C2') -36.5 -6.5 &rst iat = 66, 68, 69, 87, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 3 THY NU1: (3 DT O4')-(3 DT C1')-(3 DT C2')-(3 DT C3') 19.8 49.8 &rst iat = 68, 69, 87, 85, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 3 THY NU2: (3 DT C1')-(3 DT C2')-(3 DT C3')-(3 DT C4') -49.8 -19.8 &rst iat = 69, 87, 85, 66, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 3 THY NU3: (3 DT C2')-(3 DT C3')-(3 DT C4')-(3 DT O4') 6.5 36.5 &rst iat = 87, 85, 66, 68, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 3 THY NU4: (3 DT C3')-(3 DT C4')-(3 DT O4')-(3 DT C1') -15.0 15.0 &rst iat = 85, 66, 68, 69, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 4 CYT NU0: (4 DC C4')-(4 DC O4')-(4 DC C1')-(4 DC C2') -36.5 -6.5 &rst iat = 98, 100, 101, 117, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 4 CYT NU1: (4 DC O4')-(4 DC C1')-(4 DC C2')-(4 DC C3') 19.8 49.8 &rst iat = 100, 101, 117, 115, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 4 CYT NU2: (4 DC C1')-(4 DC C2')-(4 DC C3')-(4 DC C4') -49.8 -19.8 &rst iat = 101, 117, 115, 98, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 4 CYT NU3: (4 DC C2')-(4 DC C3')-(4 DC C4')-(4 DC O4') 6.5 36.5 &rst iat = 117, 115, 98, 100, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 4 CYT NU4: (4 DC C3')-(4 DC C4')-(4 DC O4')-(4 DC C1') -15.0 15.0 &rst iat = 115, 98, 100, 101, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 5 ADE NU0: (5 DA C4')-(5 DA O4')-(5 DA C1')-(5 DA C2') -28.4 1.6 &rst iat = 128, 130, 131, 149, r1 = -29.4, r2 = -28.4, r3 = 1.6, r4 = 2.6, &end # 5 ADE NU1: (5 DA O4')-(5 DA C1')-(5 DA C2')-(5 DA C3') -23.6 6.4 &rst iat = 130, 131, 149, 147, r1 = -24.6, r2 = -23.6, r3 = 6.4, r4 = 7.4, &end # 5 ADE NU2: (5 DA C1')-(5 DA C2')-(5 DA C3')-(5 DA C4') 12.3 42.3 &rst iat = 131, 149, 147, 128, r1 = 11.3, r2 = 12.3, r3 = 42.3, r4 = 43.3, &end # 5 ADE NU3: (5 DA C2')-(5 DA C3')-(5 DA C4')-(5 DA O4') -51.6 -21.6 &rst iat = 149, 147, 128, 130, r1 = -52.6, r2 = -51.6, r3 = -21.6, r4 = -20.6, &end # 5 ADE NU4: (5 DA C3')-(5 DA C4')-(5 DA O4')-(5 DA C1') 15.3 45.3 &rst iat = 147, 128, 130, 131, r1 = 14.3, r2 = 15.3, r3 = 45.3, r4 = 46.3, &end # 6 GUA NU0: (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -38.5 -0.0 &rst iat = 160, 162, 163, 167, r1 = -39.5, r2 = -38.5, r3 = -0.0, r4 = 1.0, &end # 6 GUA NU1: (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3') -22.6 38.5 &rst iat = 162, 163, 167, 165, r1 = -23.6, r2 = -22.6, r3 = 38.5, r4 = 39.5, &end # 6 GUA NU2: (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -36.6 36.6 &rst iat = 163, 167, 165, 160, r1 = -37.6, r2 = -36.6, r3 = 36.6, r4 = 37.6, &end # 6 GUA NU3: (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4') -38.5 22.6 &rst iat = 167, 165, 160, 162, r1 = -39.5, r2 = -38.5, r3 = 22.6, r4 = 23.6, &end # 6 GUA NU4: (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') 0.1 38.5 &rst iat = 165, 160, 162, 163, r1 = -0.9, r2 = 0.1, r3 = 38.5, r4 = 39.5, &end # 7 GUA NU0: (7 DG C4')-(7 DG O4')-(7 DG C1')-(7 DG C2') -36.5 -6.5 &rst iat = 178, 180, 181, 185, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 7 GUA NU1: (7 DG O4')-(7 DG C1')-(7 DG C2')-(7 DG C3') 19.8 49.8 &rst iat = 180, 181, 185, 183, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 7 GUA NU2: (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -49.8 -19.8 &rst iat = 181, 185, 183, 178, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 7 GUA NU3: (7 DG C2')-(7 DG C3')-(7 DG C4')-(7 DG O4') 6.5 36.5 &rst iat = 185, 183, 178, 180, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 7 GUA NU4: (7 DG C3')-(7 DG C4')-(7 DG O4')-(7 DG C1') -15.0 15.0 &rst iat = 183, 178, 180, 181, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 8 CYT NU0: (8 DC C4')-(8 DC O4')-(8 DC C1')-(8 DC C2') -36.5 -6.5 &rst iat = 196, 198, 199, 215, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 8 CYT NU1: (8 DC O4')-(8 DC C1')-(8 DC C2')-(8 DC C3') 19.8 49.8 &rst iat = 198, 199, 215, 213, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 8 CYT NU2: (8 DC C1')-(8 DC C2')-(8 DC C3')-(8 DC C4') -49.8 -19.8 &rst iat = 199, 215, 213, 196, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 8 CYT NU3: (8 DC C2')-(8 DC C3')-(8 DC C4')-(8 DC O4') 6.5 36.5 &rst iat = 215, 213, 196, 198, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 8 CYT NU4: (8 DC C3')-(8 DC C4')-(8 DC O4')-(8 DC C1') -15.0 15.0 &rst iat = 213, 196, 198, 199, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 9 CYT NU0: (9 DC C4')-(9 DC O4')-(9 DC C1')-(9 DC C2') -36.5 -6.5 &rst iat = 226, 228, 229, 245, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 9 CYT NU1: (9 DC O4')-(9 DC C1')-(9 DC C2')-(9 DC C3') 19.8 49.8 &rst iat = 228, 229, 245, 243, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 9 CYT NU2: (9 DC C1')-(9 DC C2')-(9 DC C3')-(9 DC C4') -49.8 -19.8 &rst iat = 229, 245, 243, 226, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 9 CYT NU3: (9 DC C2')-(9 DC C3')-(9 DC C4')-(9 DC O4') 6.5 36.5 &rst iat = 245, 243, 226, 228, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 9 CYT NU4: (9 DC C3')-(9 DC C4')-(9 DC O4')-(9 DC C1') -15.0 15.0 &rst iat = 243, 226, 228, 229, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 10 THY NU0: (10 DT C4')-(10 DT O4')-(10 DT C1')-(10 DT C2') -36.5 -6.5 &rst iat = 256, 258, 259, 277, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 10 THY NU1: (10 DT O4')-(10 DT C1')-(10 DT C2')-(10 DT C3') 19.8 49.8 &rst iat = 258, 259, 277, 275, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 10 THY NU2: (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -49.8 -19.8 &rst iat = 259, 277, 275, 256, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 10 THY NU3: (10 DT C2')-(10 DT C3')-(10 DT C4')-(10 DT O4') 6.5 36.5 &rst iat = 277, 275, 256, 258, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 10 THY NU4: (10 DT C3')-(10 DT C4')-(10 DT O4')-(10 DT C1') -15.0 15.0 &rst iat = 275, 256, 258, 259, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 11 CYT NU0: (11 DC C4')-(11 DC O4')-(11 DC C1')-(11 DC C2') -36.5 -6.5 &rst iat = 288, 290, 291, 307, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 11 CYT NU1: (11 DC O4')-(11 DC C1')-(11 DC C2')-(11 DC C3') 19.8 49.8 &rst iat = 290, 291, 307, 305, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 11 CYT NU2: (11 DC C1')-(11 DC C2')-(11 DC C3')-(11 DC C4') -49.8 -19.8 &rst iat = 291, 307, 305, 288, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 11 CYT NU3: (11 DC C2')-(11 DC C3')-(11 DC C4')-(11 DC O4') 6.5 36.5 &rst iat = 307, 305, 288, 290, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 11 CYT NU4: (11 DC C3')-(11 DC C4')-(11 DC O4')-(11 DC C1') -15.0 15.0 &rst iat = 305, 288, 290, 291, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 13 GUA NU0: (13 DG5 C4')-(13 DG5 O4')-(13 DG5 C1')-(13 DG5 C2') -38.5 -0.0 &rst iat = 347, 349, 350, 369, r1 = -39.5, r2 = -38.5, r3 = -0.0, r4 = 1.0, &end # 13 GUA NU1: (13 DG5 O4')-(13 DG5 C1')-(13 DG5 C2')-(13 DG5 C3') -22.6 38.5 &rst iat = 349, 350, 369, 367, r1 = -23.6, r2 = -22.6, r3 = 38.5, r4 = 39.5, &end # 13 GUA NU2: (13 DG5 C1')-(13 DG5 C2')-(13 DG5 C3')-(13 DG5 C4') -36.6 36.6 &rst iat = 350, 369, 367, 347, r1 = -37.6, r2 = -36.6, r3 = 36.6, r4 = 37.6, &end # 13 GUA NU3: (13 DG5 C2')-(13 DG5 C3')-(13 DG5 C4')-(13 DG5 O4') -38.5 22.6 &rst iat = 369, 367, 347, 349, r1 = -39.5, r2 = -38.5, r3 = 22.6, r4 = 23.6, &end # 13 GUA NU4: (13 DG5 C3')-(13 DG5 C4')-(13 DG5 O4')-(13 DG5 C1') 0.1 38.5 &rst iat = 367, 347, 349, 350, r1 = -0.9, r2 = 0.1, r3 = 38.5, r4 = 39.5, &end # 14 GUA NU0: (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -36.5 -6.5 &rst iat = 380, 382, 383, 402, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 14 GUA NU1: (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3') 19.8 49.8 &rst iat = 382, 383, 402, 400, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 14 GUA NU2: (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -49.8 -19.8 &rst iat = 383, 402, 400, 380, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 14 GUA NU3: (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4') 6.5 36.5 &rst iat = 402, 400, 380, 382, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 14 GUA NU4: (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -15.0 15.0 &rst iat = 400, 380, 382, 383, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 15 ADE NU0: (15 DA C4')-(15 DA O4')-(15 DA C1')-(15 DA C2') -36.5 -6.5 &rst iat = 413, 415, 416, 434, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 15 ADE NU1: (15 DA O4')-(15 DA C1')-(15 DA C2')-(15 DA C3') 19.8 49.8 &rst iat = 415, 416, 434, 432, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 15 ADE NU2: (15 DA C1')-(15 DA C2')-(15 DA C3')-(15 DA C4') -49.8 -19.8 &rst iat = 416, 434, 432, 413, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 15 ADE NU3: (15 DA C2')-(15 DA C3')-(15 DA C4')-(15 DA O4') 6.5 36.5 &rst iat = 434, 432, 413, 415, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 15 ADE NU4: (15 DA C3')-(15 DA C4')-(15 DA O4')-(15 DA C1') -15.0 15.0 &rst iat = 432, 413, 415, 416, 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 = 445, 447, 448, 467, 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 = 447, 448, 467, 465, 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 = 448, 467, 465, 445, 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 = 467, 465, 445, 447, 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 = 465, 445, 447, 448, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 18 CYT NU0: (18 DC C4')-(18 DC O4')-(18 DC C1')-(18 DC C2') -36.5 -6.5 &rst iat = 511, 513, 514, 530, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 18 CYT NU1: (18 DC O4')-(18 DC C1')-(18 DC C2')-(18 DC C3') 19.8 49.8 &rst iat = 513, 514, 530, 528, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 18 CYT NU2: (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -49.8 -19.8 &rst iat = 514, 530, 528, 511, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 18 CYT NU3: (18 DC C2')-(18 DC C3')-(18 DC C4')-(18 DC O4') 6.5 36.5 &rst iat = 530, 528, 511, 513, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 18 CYT NU4: (18 DC C3')-(18 DC C4')-(18 DC O4')-(18 DC C1') -15.0 15.0 &rst iat = 528, 511, 513, 514, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 19 CYT NU0: (19 DC C4')-(19 DC O4')-(19 DC C1')-(19 DC C2') -36.5 -6.5 &rst iat = 541, 543, 544, 560, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 19 CYT NU1: (19 DC O4')-(19 DC C1')-(19 DC C2')-(19 DC C3') 19.8 49.8 &rst iat = 543, 544, 560, 558, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 19 CYT NU2: (19 DC C1')-(19 DC C2')-(19 DC C3')-(19 DC C4') -49.8 -19.8 &rst iat = 544, 560, 558, 541, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 19 CYT NU3: (19 DC C2')-(19 DC C3')-(19 DC C4')-(19 DC O4') 6.5 36.5 &rst iat = 560, 558, 541, 543, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 19 CYT NU4: (19 DC C3')-(19 DC C4')-(19 DC O4')-(19 DC C1') -15.0 15.0 &rst iat = 558, 541, 543, 544, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 20 THY NU0: (20 DT C4')-(20 DT O4')-(20 DT C1')-(20 DT C2') -36.5 -6.5 &rst iat = 571, 573, 574, 592, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 20 THY NU1: (20 DT O4')-(20 DT C1')-(20 DT C2')-(20 DT C3') 19.8 49.8 &rst iat = 573, 574, 592, 590, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 20 THY NU2: (20 DT C1')-(20 DT C2')-(20 DT C3')-(20 DT C4') -49.8 -19.8 &rst iat = 574, 592, 590, 571, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 20 THY NU3: (20 DT C2')-(20 DT C3')-(20 DT C4')-(20 DT O4') 6.5 36.5 &rst iat = 592, 590, 571, 573, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 20 THY NU4: (20 DT C3')-(20 DT C4')-(20 DT O4')-(20 DT C1') -15.0 15.0 &rst iat = 590, 571, 573, 574, 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 = 603, 605, 606, 625, 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 = 605, 606, 625, 623, 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 = 606, 625, 623, 603, 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 = 625, 623, 603, 605, 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 = 623, 603, 605, 606, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 22 ADE NU0: (22 DA C4')-(22 DA O4')-(22 DA C1')-(22 DA C2') -36.5 -6.5 &rst iat = 636, 638, 639, 657, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 22 ADE NU1: (22 DA O4')-(22 DA C1')-(22 DA C2')-(22 DA C3') 19.8 49.8 &rst iat = 638, 639, 657, 655, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 22 ADE NU2: (22 DA C1')-(22 DA C2')-(22 DA C3')-(22 DA C4') -49.8 -19.8 &rst iat = 639, 657, 655, 636, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 22 ADE NU3: (22 DA C2')-(22 DA C3')-(22 DA C4')-(22 DA O4') 6.5 36.5 &rst iat = 657, 655, 636, 638, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 22 ADE NU4: (22 DA C3')-(22 DA C4')-(22 DA O4')-(22 DA C1') -15.0 15.0 &rst iat = 655, 636, 638, 639, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 23 GUA NU0: (23 DG C4')-(23 DG O4')-(23 DG C1')-(23 DG C2') -36.5 -6.5 &rst iat = 668, 670, 671, 690, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 23 GUA NU1: (23 DG O4')-(23 DG C1')-(23 DG C2')-(23 DG C3') 19.8 49.8 &rst iat = 670, 671, 690, 688, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 23 GUA NU2: (23 DG C1')-(23 DG C2')-(23 DG C3')-(23 DG C4') -49.8 -19.8 &rst iat = 671, 690, 688, 668, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 23 GUA NU3: (23 DG C2')-(23 DG C3')-(23 DG C4')-(23 DG O4') 6.5 36.5 &rst iat = 690, 688, 668, 670, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 23 GUA NU4: (23 DG C3')-(23 DG C4')-(23 DG O4')-(23 DG C1') -15.0 15.0 &rst iat = 688, 668, 670, 671, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 24 GUA NU0: (24 DG3 C4')-(24 DG3 O4')-(24 DG3 C1')-(24 DG3 C2') -36.5 -6.5 &rst iat = 701, 703, 704, 723, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 24 GUA NU1: (24 DG3 O4')-(24 DG3 C1')-(24 DG3 C2')-(24 DG3 C3') 19.8 49.8 &rst iat = 703, 704, 723, 721, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 24 GUA NU2: (24 DG3 C1')-(24 DG3 C2')-(24 DG3 C3')-(24 DG3 C4') -49.8 -19.8 &rst iat = 704, 723, 721, 701, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 24 GUA NU3: (24 DG3 C2')-(24 DG3 C3')-(24 DG3 C4')-(24 DG3 O4') 6.5 36.5 &rst iat = 723, 721, 701, 703, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 24 GUA NU4: (24 DG3 C3')-(24 DG3 C4')-(24 DG3 O4')-(24 DG3 C1') -15.0 15.0 &rst iat = 721, 701, 703, 704, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end #
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