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 |
|
|
591740 |
2mxf   |
25407 | cing | 1-original | 1 | AMBER | dihedral angle |
# 760 atoms read from pdb file DNA.pdb.
# 48 CYT GAMMA: (48 DC5 O5')-(48 DC5 C5')-(48 DC5 C4')-(48 DC5 C3') 25.0 95.0
&rst iat = 766, 767, 770, 787,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
rk2 = 75.0, rk3 = 75.0, &end
# 48 CYT DELTA: (48 DC5 C5')-(48 DC5 C4')-(48 DC5 C3')-(48 DC5 O3') 115.0 175.0
&rst iat = 767, 770, 787, 792,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 48 CYT EPSILN: (48 DC5 C4')-(48 DC5 C3')-(48 DC5 O3')-(49 DG P) 150.0 300.0
&rst iat = 770, 787, 792, 793,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 48 CYT ZETA: (48 DC5 C3')-(48 DC5 O3')-(49 DG P)-(49 DG O5') -130.0 -60.0
&rst iat = 787, 792, 793, 796,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 48 CYT CHI: (48 DC5 O4')-(48 DC5 C1')-(48 DC5 N1)-(48 DC5 C2) -160.0 -85.0
&rst iat = 772, 773, 775, 785,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 49 GUA ALPHA: (48 DC5 O3')-(49 DG P)-(49 DG O5')-(49 DG C5') -90.0 -30.0
&rst iat = 792, 793, 796, 797,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 49 GUA BETA: (49 DG P)-(49 DG O5')-(49 DG C5')-(49 DG C4') 150.0 210.0
&rst iat = 793, 796, 797, 800,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 49 GUA GAMMA: (49 DG O5')-(49 DG C5')-(49 DG C4')-(49 DG C3') 25.0 95.0
&rst iat = 796, 797, 800, 820,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 49 GUA DELTA: (49 DG C5')-(49 DG C4')-(49 DG C3')-(49 DG O3') 115.0 175.0
&rst iat = 797, 800, 820, 825,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 49 GUA EPSILN: (49 DG C4')-(49 DG C3')-(49 DG O3')-(50 DC P) 150.0 300.0
&rst iat = 800, 820, 825, 826,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 49 GUA ZETA: (49 DG C3')-(49 DG O3')-(50 DC P)-(50 DC O5') -130.0 -60.0
&rst iat = 820, 825, 826, 829,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 49 GUA CHI: (49 DG O4')-(49 DG C1')-(49 DG N9)-(49 DG C4) -160.0 -85.0
&rst iat = 802, 803, 805, 819,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 50 CYT ALPHA: (49 DG O3')-(50 DC P)-(50 DC O5')-(50 DC C5') -90.0 -30.0
&rst iat = 825, 826, 829, 830,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 50 CYT BETA: (50 DC P)-(50 DC O5')-(50 DC C5')-(50 DC C4') 150.0 210.0
&rst iat = 826, 829, 830, 833,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 50 CYT GAMMA: (50 DC O5')-(50 DC C5')-(50 DC C4')-(50 DC C3') 25.0 95.0
&rst iat = 829, 830, 833, 850,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 50 CYT DELTA: (50 DC C5')-(50 DC C4')-(50 DC C3')-(50 DC O3') 115.0 175.0
&rst iat = 830, 833, 850, 855,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 50 CYT EPSILN: (50 DC C4')-(50 DC C3')-(50 DC O3')-(51 DA P) 150.0 300.0
&rst iat = 833, 850, 855, 856,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 50 CYT ZETA: (50 DC C3')-(50 DC O3')-(51 DA P)-(51 DA O5') -130.0 -60.0
&rst iat = 850, 855, 856, 859,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 50 CYT CHI: (50 DC O4')-(50 DC C1')-(50 DC N1)-(50 DC C2) -160.0 -85.0
&rst iat = 835, 836, 838, 848,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 51 ADE ALPHA: (50 DC O3')-(51 DA P)-(51 DA O5')-(51 DA C5') -90.0 -30.0
&rst iat = 855, 856, 859, 860,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 51 ADE BETA: (51 DA P)-(51 DA O5')-(51 DA C5')-(51 DA C4') 150.0 210.0
&rst iat = 856, 859, 860, 863,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 51 ADE GAMMA: (51 DA O5')-(51 DA C5')-(51 DA C4')-(51 DA C3') 25.0 95.0
&rst iat = 859, 860, 863, 882,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 51 ADE DELTA: (51 DA C5')-(51 DA C4')-(51 DA C3')-(51 DA O3') 115.0 175.0
&rst iat = 860, 863, 882, 887,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 51 ADE EPSILN: (51 DA C4')-(51 DA C3')-(51 DA O3')-(52 DT P) 150.0 300.0
&rst iat = 863, 882, 887, 888,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 51 ADE ZETA: (51 DA C3')-(51 DA O3')-(52 DT P)-(52 DT O5') -130.0 -60.0
&rst iat = 882, 887, 888, 891,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 51 ADE CHI: (51 DA O4')-(51 DA C1')-(51 DA N9)-(51 DA C4) -160.0 -85.0
&rst iat = 865, 866, 868, 881,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 52 THY ALPHA: (51 DA O3')-(52 DT P)-(52 DT O5')-(52 DT C5') -90.0 -30.0
&rst iat = 887, 888, 891, 892,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 52 THY BETA: (52 DT P)-(52 DT O5')-(52 DT C5')-(52 DT C4') 150.0 210.0
&rst iat = 888, 891, 892, 895,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 52 THY GAMMA: (52 DT O5')-(52 DT C5')-(52 DT C4')-(52 DT C3') 25.0 95.0
&rst iat = 891, 892, 895, 914,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 52 THY DELTA: (52 DT C5')-(52 DT C4')-(52 DT C3')-(52 DT O3') 115.0 175.0
&rst iat = 892, 895, 914, 919,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 52 THY EPSILN: (52 DT C4')-(52 DT C3')-(52 DT O3')-(53 DA P) 150.0 300.0
&rst iat = 895, 914, 919, 920,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 52 THY ZETA: (52 DT C3')-(52 DT O3')-(53 DA P)-(53 DA O5') -130.0 -60.0
&rst iat = 914, 919, 920, 923,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 52 THY CHI: (52 DT O4')-(52 DT C1')-(52 DT N1)-(52 DT C2) -160.0 -85.0
&rst iat = 897, 898, 900, 912,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 53 ADE ALPHA: (52 DT O3')-(53 DA P)-(53 DA O5')-(53 DA C5') -90.0 -30.0
&rst iat = 919, 920, 923, 924,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 53 ADE BETA: (53 DA P)-(53 DA O5')-(53 DA C5')-(53 DA C4') 150.0 210.0
&rst iat = 920, 923, 924, 927,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 53 ADE GAMMA: (53 DA O5')-(53 DA C5')-(53 DA C4')-(53 DA C3') 25.0 95.0
&rst iat = 923, 924, 927, 946,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 53 ADE DELTA: (53 DA C5')-(53 DA C4')-(53 DA C3')-(53 DA O3') 115.0 175.0
&rst iat = 924, 927, 946, 951,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 53 ADE EPSILN: (53 DA C4')-(53 DA C3')-(53 DA O3')-(54 DT P) 150.0 300.0
&rst iat = 927, 946, 951, 952,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 53 ADE ZETA: (53 DA C3')-(53 DA O3')-(54 DT P)-(54 DT O5') -130.0 -60.0
&rst iat = 946, 951, 952, 955,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 53 ADE CHI: (53 DA O4')-(53 DA C1')-(53 DA N9)-(53 DA C4) -160.0 -85.0
&rst iat = 929, 930, 932, 945,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 54 THY ALPHA: (53 DA O3')-(54 DT P)-(54 DT O5')-(54 DT C5') -90.0 -30.0
&rst iat = 951, 952, 955, 956,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 54 THY BETA: (54 DT P)-(54 DT O5')-(54 DT C5')-(54 DT C4') 150.0 210.0
&rst iat = 952, 955, 956, 959,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 54 THY GAMMA: (54 DT O5')-(54 DT C5')-(54 DT C4')-(54 DT C3') 25.0 95.0
&rst iat = 955, 956, 959, 978,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 54 THY DELTA: (54 DT C5')-(54 DT C4')-(54 DT C3')-(54 DT O3') 115.0 175.0
&rst iat = 956, 959, 978, 983,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 54 THY EPSILN: (54 DT C4')-(54 DT C3')-(54 DT O3')-(55 DA P) 150.0 300.0
&rst iat = 959, 978, 983, 984,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 54 THY ZETA: (54 DT C3')-(54 DT O3')-(55 DA P)-(55 DA O5') -130.0 -60.0
&rst iat = 978, 983, 984, 987,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 54 THY CHI: (54 DT O4')-(54 DT C1')-(54 DT N1)-(54 DT C2) -160.0 -85.0
&rst iat = 961, 962, 964, 976,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 55 ADE ALPHA: (54 DT O3')-(55 DA P)-(55 DA O5')-(55 DA C5') -90.0 -30.0
&rst iat = 983, 984, 987, 988,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 55 ADE BETA: (55 DA P)-(55 DA O5')-(55 DA C5')-(55 DA C4') 150.0 210.0
&rst iat = 984, 987, 988, 991,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 55 ADE GAMMA: (55 DA O5')-(55 DA C5')-(55 DA C4')-(55 DA C3') 25.0 95.0
&rst iat = 987, 988, 991, 1010,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 55 ADE DELTA: (55 DA C5')-(55 DA C4')-(55 DA C3')-(55 DA O3') 115.0 175.0
&rst iat = 988, 991, 1010, 1015,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 55 ADE EPSILN: (55 DA C4')-(55 DA C3')-(55 DA O3')-(56 DT P) 150.0 300.0
&rst iat = 991, 1010, 1015, 1016,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 55 ADE ZETA: (55 DA C3')-(55 DA O3')-(56 DT P)-(56 DT O5') -130.0 -60.0
&rst iat = 1010, 1015, 1016, 1019,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 55 ADE CHI: (55 DA O4')-(55 DA C1')-(55 DA N9)-(55 DA C4) -160.0 -85.0
&rst iat = 993, 994, 996, 1009,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 56 THY ALPHA: (55 DA O3')-(56 DT P)-(56 DT O5')-(56 DT C5') -90.0 -30.0
&rst iat = 1015, 1016, 1019, 1020,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 56 THY BETA: (56 DT P)-(56 DT O5')-(56 DT C5')-(56 DT C4') 150.0 210.0
&rst iat = 1016, 1019, 1020, 1023,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 56 THY GAMMA: (56 DT O5')-(56 DT C5')-(56 DT C4')-(56 DT C3') 25.0 95.0
&rst iat = 1019, 1020, 1023, 1042,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 56 THY DELTA: (56 DT C5')-(56 DT C4')-(56 DT C3')-(56 DT O3') 115.0 175.0
&rst iat = 1020, 1023, 1042, 1047,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 56 THY EPSILN: (56 DT C4')-(56 DT C3')-(56 DT O3')-(57 DG P) 150.0 300.0
&rst iat = 1023, 1042, 1047, 1048,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 56 THY ZETA: (56 DT C3')-(56 DT O3')-(57 DG P)-(57 DG O5') -130.0 -60.0
&rst iat = 1042, 1047, 1048, 1051,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 56 THY CHI: (56 DT O4')-(56 DT C1')-(56 DT N1)-(56 DT C2) -160.0 -85.0
&rst iat = 1025, 1026, 1028, 1040,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 57 GUA ALPHA: (56 DT O3')-(57 DG P)-(57 DG O5')-(57 DG C5') -90.0 -30.0
&rst iat = 1047, 1048, 1051, 1052,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 57 GUA BETA: (57 DG P)-(57 DG O5')-(57 DG C5')-(57 DG C4') 150.0 210.0
&rst iat = 1048, 1051, 1052, 1055,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 57 GUA GAMMA: (57 DG O5')-(57 DG C5')-(57 DG C4')-(57 DG C3') 25.0 95.0
&rst iat = 1051, 1052, 1055, 1075,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 57 GUA DELTA: (57 DG C5')-(57 DG C4')-(57 DG C3')-(57 DG O3') 115.0 175.0
&rst iat = 1052, 1055, 1075, 1080,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 57 GUA EPSILN: (57 DG C4')-(57 DG C3')-(57 DG O3')-(58 DC P) 150.0 300.0
&rst iat = 1055, 1075, 1080, 1081,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 57 GUA ZETA: (57 DG C3')-(57 DG O3')-(58 DC P)-(58 DC O5') -130.0 -60.0
&rst iat = 1075, 1080, 1081, 1084,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 57 GUA CHI: (57 DG O4')-(57 DG C1')-(57 DG N9)-(57 DG C4) -160.0 -85.0
&rst iat = 1057, 1058, 1060, 1074,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 58 CYT ALPHA: (57 DG O3')-(58 DC P)-(58 DC O5')-(58 DC C5') -90.0 -30.0
&rst iat = 1080, 1081, 1084, 1085,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 58 CYT BETA: (58 DC P)-(58 DC O5')-(58 DC C5')-(58 DC C4') 150.0 210.0
&rst iat = 1081, 1084, 1085, 1088,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 58 CYT GAMMA: (58 DC O5')-(58 DC C5')-(58 DC C4')-(58 DC C3') 25.0 95.0
&rst iat = 1084, 1085, 1088, 1105,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 58 CYT DELTA: (58 DC C5')-(58 DC C4')-(58 DC C3')-(58 DC O3') 115.0 175.0
&rst iat = 1085, 1088, 1105, 1110,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 58 CYT EPSILN: (58 DC C4')-(58 DC C3')-(58 DC O3')-(59 DG3 P) 150.0 300.0
&rst iat = 1088, 1105, 1110, 1111,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 58 CYT ZETA: (58 DC C3')-(58 DC O3')-(59 DG3 P)-(59 DG3 O5') -130.0 -60.0
&rst iat = 1105, 1110, 1111, 1114,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 58 CYT CHI: (58 DC O4')-(58 DC C1')-(58 DC N1)-(58 DC C2) -160.0 -85.0
&rst iat = 1090, 1091, 1093, 1103,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 59 GUA ALPHA: (58 DC O3')-(59 DG3 P)-(59 DG3 O5')-(59 DG3 C5') -90.0 -30.0
&rst iat = 1110, 1111, 1114, 1115,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 59 GUA BETA: (59 DG3 P)-(59 DG3 O5')-(59 DG3 C5')-(59 DG3 C4') 150.0 210.0
&rst iat = 1111, 1114, 1115, 1118,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 59 GUA GAMMA: (59 DG3 O5')-(59 DG3 C5')-(59 DG3 C4')-(59 DG3 C3') 25.0 95.0
&rst iat = 1114, 1115, 1118, 1138,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 59 GUA DELTA: (59 DG3 C5')-(59 DG3 C4')-(59 DG3 C3')-(59 DG3 O3') 80.0 175.0
&rst iat = 1115, 1118, 1138, 1143,
r1 = 79.0, r2 = 80.0, r3 = 175.0, r4 = 176.0,
&end
# 59 GUA CHI: (59 DG3 O4')-(59 DG3 C1')-(59 DG3 N9)-(59 DG3 C4) -160.0 -85.0
&rst iat = 1120, 1121, 1123, 1137,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 60 CYT GAMMA: (60 DC5 O5')-(60 DC5 C5')-(60 DC5 C4')-(60 DC5 C3') 25.0 95.0
&rst iat = 1146, 1147, 1150, 1167,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 60 CYT DELTA: (60 DC5 C5')-(60 DC5 C4')-(60 DC5 C3')-(60 DC5 O3') 115.0 175.0
&rst iat = 1147, 1150, 1167, 1172,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 60 CYT EPSILN: (60 DC5 C4')-(60 DC5 C3')-(60 DC5 O3')-(61 DG P) 150.0 300.0
&rst iat = 1150, 1167, 1172, 1173,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 60 CYT ZETA: (60 DC5 C3')-(60 DC5 O3')-(61 DG P)-(61 DG O5') -130.0 -60.0
&rst iat = 1167, 1172, 1173, 1176,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 60 CYT CHI: (60 DC5 O4')-(60 DC5 C1')-(60 DC5 N1)-(60 DC5 C2) -160.0 -85.0
&rst iat = 1152, 1153, 1155, 1165,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 61 GUA ALPHA: (60 DC5 O3')-(61 DG P)-(61 DG O5')-(61 DG C5') -90.0 -30.0
&rst iat = 1172, 1173, 1176, 1177,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 61 GUA BETA: (61 DG P)-(61 DG O5')-(61 DG C5')-(61 DG C4') 150.0 210.0
&rst iat = 1173, 1176, 1177, 1180,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 61 GUA GAMMA: (61 DG O5')-(61 DG C5')-(61 DG C4')-(61 DG C3') 25.0 95.0
&rst iat = 1176, 1177, 1180, 1200,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 61 GUA DELTA: (61 DG C5')-(61 DG C4')-(61 DG C3')-(61 DG O3') 115.0 175.0
&rst iat = 1177, 1180, 1200, 1205,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 61 GUA EPSILN: (61 DG C4')-(61 DG C3')-(61 DG O3')-(62 DC P) 150.0 300.0
&rst iat = 1180, 1200, 1205, 1206,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 61 GUA ZETA: (61 DG C3')-(61 DG O3')-(62 DC P)-(62 DC O5') -130.0 -60.0
&rst iat = 1200, 1205, 1206, 1209,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 61 GUA CHI: (61 DG O4')-(61 DG C1')-(61 DG N9)-(61 DG C4) -160.0 -85.0
&rst iat = 1182, 1183, 1185, 1199,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 62 CYT ALPHA: (61 DG O3')-(62 DC P)-(62 DC O5')-(62 DC C5') -90.0 -30.0
&rst iat = 1205, 1206, 1209, 1210,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 62 CYT BETA: (62 DC P)-(62 DC O5')-(62 DC C5')-(62 DC C4') 150.0 210.0
&rst iat = 1206, 1209, 1210, 1213,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 62 CYT GAMMA: (62 DC O5')-(62 DC C5')-(62 DC C4')-(62 DC C3') 25.0 95.0
&rst iat = 1209, 1210, 1213, 1230,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 62 CYT DELTA: (62 DC C5')-(62 DC C4')-(62 DC C3')-(62 DC O3') 80.0 175.0
&rst iat = 1210, 1213, 1230, 1235,
r1 = 79.0, r2 = 80.0, r3 = 175.0, r4 = 176.0,
&end
# 62 CYT EPSILN: (62 DC C4')-(62 DC C3')-(62 DC O3')-(63 DA P) 150.0 300.0
&rst iat = 1213, 1230, 1235, 1236,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 62 CYT ZETA: (62 DC C3')-(62 DC O3')-(63 DA P)-(63 DA O5') -130.0 -60.0
&rst iat = 1230, 1235, 1236, 1239,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 62 CYT CHI: (62 DC O4')-(62 DC C1')-(62 DC N1)-(62 DC C2) -160.0 -85.0
&rst iat = 1215, 1216, 1218, 1228,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 63 ADE ALPHA: (62 DC O3')-(63 DA P)-(63 DA O5')-(63 DA C5') -90.0 -30.0
&rst iat = 1235, 1236, 1239, 1240,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 63 ADE BETA: (63 DA P)-(63 DA O5')-(63 DA C5')-(63 DA C4') 150.0 210.0
&rst iat = 1236, 1239, 1240, 1243,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 63 ADE GAMMA: (63 DA O5')-(63 DA C5')-(63 DA C4')-(63 DA C3') 25.0 95.0
&rst iat = 1239, 1240, 1243, 1262,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 63 ADE DELTA: (63 DA C5')-(63 DA C4')-(63 DA C3')-(63 DA O3') 115.0 175.0
&rst iat = 1240, 1243, 1262, 1267,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 63 ADE EPSILN: (63 DA C4')-(63 DA C3')-(63 DA O3')-(64 DT P) 150.0 300.0
&rst iat = 1243, 1262, 1267, 1268,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 63 ADE ZETA: (63 DA C3')-(63 DA O3')-(64 DT P)-(64 DT O5') -130.0 -60.0
&rst iat = 1262, 1267, 1268, 1271,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 63 ADE CHI: (63 DA O4')-(63 DA C1')-(63 DA N9)-(63 DA C4) -160.0 -85.0
&rst iat = 1245, 1246, 1248, 1261,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 64 THY ALPHA: (63 DA O3')-(64 DT P)-(64 DT O5')-(64 DT C5') -90.0 -30.0
&rst iat = 1267, 1268, 1271, 1272,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 64 THY BETA: (64 DT P)-(64 DT O5')-(64 DT C5')-(64 DT C4') 150.0 210.0
&rst iat = 1268, 1271, 1272, 1275,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 64 THY GAMMA: (64 DT O5')-(64 DT C5')-(64 DT C4')-(64 DT C3') 25.0 95.0
&rst iat = 1271, 1272, 1275, 1294,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 64 THY DELTA: (64 DT C5')-(64 DT C4')-(64 DT C3')-(64 DT O3') 115.0 175.0
&rst iat = 1272, 1275, 1294, 1299,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 64 THY EPSILN: (64 DT C4')-(64 DT C3')-(64 DT O3')-(65 DA P) 150.0 300.0
&rst iat = 1275, 1294, 1299, 1300,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 64 THY ZETA: (64 DT C3')-(64 DT O3')-(65 DA P)-(65 DA O5') -130.0 -60.0
&rst iat = 1294, 1299, 1300, 1303,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 64 THY CHI: (64 DT O4')-(64 DT C1')-(64 DT N1)-(64 DT C2) -160.0 -85.0
&rst iat = 1277, 1278, 1280, 1292,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 65 ADE ALPHA: (64 DT O3')-(65 DA P)-(65 DA O5')-(65 DA C5') -90.0 -30.0
&rst iat = 1299, 1300, 1303, 1304,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 65 ADE BETA: (65 DA P)-(65 DA O5')-(65 DA C5')-(65 DA C4') 150.0 210.0
&rst iat = 1300, 1303, 1304, 1307,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 65 ADE GAMMA: (65 DA O5')-(65 DA C5')-(65 DA C4')-(65 DA C3') 25.0 95.0
&rst iat = 1303, 1304, 1307, 1326,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 65 ADE DELTA: (65 DA C5')-(65 DA C4')-(65 DA C3')-(65 DA O3') 115.0 175.0
&rst iat = 1304, 1307, 1326, 1331,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 65 ADE EPSILN: (65 DA C4')-(65 DA C3')-(65 DA O3')-(66 DT P) 150.0 300.0
&rst iat = 1307, 1326, 1331, 1332,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 65 ADE ZETA: (65 DA C3')-(65 DA O3')-(66 DT P)-(66 DT O5') -130.0 -60.0
&rst iat = 1326, 1331, 1332, 1335,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 65 ADE CHI: (65 DA O4')-(65 DA C1')-(65 DA N9)-(65 DA C4) -160.0 -85.0
&rst iat = 1309, 1310, 1312, 1325,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 66 THY ALPHA: (65 DA O3')-(66 DT P)-(66 DT O5')-(66 DT C5') -90.0 -30.0
&rst iat = 1331, 1332, 1335, 1336,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 66 THY BETA: (66 DT P)-(66 DT O5')-(66 DT C5')-(66 DT C4') 150.0 210.0
&rst iat = 1332, 1335, 1336, 1339,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 66 THY GAMMA: (66 DT O5')-(66 DT C5')-(66 DT C4')-(66 DT C3') 25.0 95.0
&rst iat = 1335, 1336, 1339, 1358,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 66 THY DELTA: (66 DT C5')-(66 DT C4')-(66 DT C3')-(66 DT O3') 115.0 175.0
&rst iat = 1336, 1339, 1358, 1363,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 66 THY EPSILN: (66 DT C4')-(66 DT C3')-(66 DT O3')-(67 DA P) 150.0 300.0
&rst iat = 1339, 1358, 1363, 1364,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 66 THY ZETA: (66 DT C3')-(66 DT O3')-(67 DA P)-(67 DA O5') 150.0 210.0
&rst iat = 1358, 1363, 1364, 1367,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 66 THY CHI: (66 DT O4')-(66 DT C1')-(66 DT N1)-(66 DT C2) -160.0 -85.0
&rst iat = 1341, 1342, 1344, 1356,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 67 ADE BETA: (67 DA P)-(67 DA O5')-(67 DA C5')-(67 DA C4') 150.0 210.0
&rst iat = 1364, 1367, 1368, 1371,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 67 ADE DELTA: (67 DA C5')-(67 DA C4')-(67 DA C3')-(67 DA O3') 115.0 175.0
&rst iat = 1368, 1371, 1390, 1395,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 67 ADE EPSILN: (67 DA C4')-(67 DA C3')-(67 DA O3')-(68 DT P) 150.0 300.0
&rst iat = 1371, 1390, 1395, 1396,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 67 ADE ZETA: (67 DA C3')-(67 DA O3')-(68 DT P)-(68 DT O5') -130.0 -60.0
&rst iat = 1390, 1395, 1396, 1399,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 67 ADE CHI: (67 DA O4')-(67 DA C1')-(67 DA N9)-(67 DA C4) -160.0 -85.0
&rst iat = 1373, 1374, 1376, 1389,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 68 THY ALPHA: (67 DA O3')-(68 DT P)-(68 DT O5')-(68 DT C5') -90.0 -30.0
&rst iat = 1395, 1396, 1399, 1400,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 68 THY BETA: (68 DT P)-(68 DT O5')-(68 DT C5')-(68 DT C4') 150.0 210.0
&rst iat = 1396, 1399, 1400, 1403,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 68 THY GAMMA: (68 DT O5')-(68 DT C5')-(68 DT C4')-(68 DT C3') 25.0 95.0
&rst iat = 1399, 1400, 1403, 1422,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 68 THY DELTA: (68 DT C5')-(68 DT C4')-(68 DT C3')-(68 DT O3') 115.0 175.0
&rst iat = 1400, 1403, 1422, 1427,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 68 THY EPSILN: (68 DT C4')-(68 DT C3')-(68 DT O3')-(69 DG P) 150.0 300.0
&rst iat = 1403, 1422, 1427, 1428,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 68 THY ZETA: (68 DT C3')-(68 DT O3')-(69 DG P)-(69 DG O5') -130.0 -60.0
&rst iat = 1422, 1427, 1428, 1431,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 68 THY CHI: (68 DT O4')-(68 DT C1')-(68 DT N1)-(68 DT C2) -160.0 -85.0
&rst iat = 1405, 1406, 1408, 1420,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 69 GUA ALPHA: (68 DT O3')-(69 DG P)-(69 DG O5')-(69 DG C5') -90.0 -30.0
&rst iat = 1427, 1428, 1431, 1432,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 69 GUA BETA: (69 DG P)-(69 DG O5')-(69 DG C5')-(69 DG C4') 150.0 210.0
&rst iat = 1428, 1431, 1432, 1435,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 69 GUA GAMMA: (69 DG O5')-(69 DG C5')-(69 DG C4')-(69 DG C3') 25.0 95.0
&rst iat = 1431, 1432, 1435, 1455,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 69 GUA DELTA: (69 DG C5')-(69 DG C4')-(69 DG C3')-(69 DG O3') 115.0 175.0
&rst iat = 1432, 1435, 1455, 1460,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 69 GUA EPSILN: (69 DG C4')-(69 DG C3')-(69 DG O3')-(70 DC P) 150.0 300.0
&rst iat = 1435, 1455, 1460, 1461,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 69 GUA ZETA: (69 DG C3')-(69 DG O3')-(70 DC P)-(70 DC O5') -130.0 -60.0
&rst iat = 1455, 1460, 1461, 1464,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 69 GUA CHI: (69 DG O4')-(69 DG C1')-(69 DG N9)-(69 DG C4) -160.0 -85.0
&rst iat = 1437, 1438, 1440, 1454,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 70 CYT ALPHA: (69 DG O3')-(70 DC P)-(70 DC O5')-(70 DC C5') -90.0 -30.0
&rst iat = 1460, 1461, 1464, 1465,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 70 CYT BETA: (70 DC P)-(70 DC O5')-(70 DC C5')-(70 DC C4') 150.0 210.0
&rst iat = 1461, 1464, 1465, 1468,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 70 CYT GAMMA: (70 DC O5')-(70 DC C5')-(70 DC C4')-(70 DC C3') 25.0 95.0
&rst iat = 1464, 1465, 1468, 1485,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 70 CYT DELTA: (70 DC C5')-(70 DC C4')-(70 DC C3')-(70 DC O3') 115.0 175.0
&rst iat = 1465, 1468, 1485, 1490,
r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
&end
# 70 CYT EPSILN: (70 DC C4')-(70 DC C3')-(70 DC O3')-(71 DG3 P) 150.0 300.0
&rst iat = 1468, 1485, 1490, 1491,
r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
&end
# 70 CYT ZETA: (70 DC C3')-(70 DC O3')-(71 DG3 P)-(71 DG3 O5') -130.0 -60.0
&rst iat = 1485, 1490, 1491, 1494,
r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
&end
# 70 CYT CHI: (70 DC O4')-(70 DC C1')-(70 DC N1)-(70 DC C2) -160.0 -85.0
&rst iat = 1470, 1471, 1473, 1483,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end
# 71 GUA ALPHA: (70 DC O3')-(71 DG3 P)-(71 DG3 O5')-(71 DG3 C5') -90.0 -30.0
&rst iat = 1490, 1491, 1494, 1495,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 71 GUA BETA: (71 DG3 P)-(71 DG3 O5')-(71 DG3 C5')-(71 DG3 C4') 150.0 210.0
&rst iat = 1491, 1494, 1495, 1498,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 71 GUA GAMMA: (71 DG3 O5')-(71 DG3 C5')-(71 DG3 C4')-(71 DG3 C3') 25.0 95.0
&rst iat = 1494, 1495, 1498, 1518,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 71 GUA DELTA: (71 DG3 C5')-(71 DG3 C4')-(71 DG3 C3')-(71 DG3 O3') 80.0 175.0
&rst iat = 1495, 1498, 1518, 1523,
r1 = 79.0, r2 = 80.0, r3 = 175.0, r4 = 176.0,
&end
# 71 GUA CHI: (71 DG3 O4')-(71 DG3 C1')-(71 DG3 N9)-(71 DG3 C4) -160.0 -85.0
&rst iat = 1500, 1501, 1503, 1517,
r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
&end# 62 CYT H1' 63 ADE H8 4.90 (# 1:90 5.07, 5.07 A)
&rst
ixpk= 1, nxpk= 90, iat=1217,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
&end
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