Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
|
|
591742 | 2mxf RC | 25407 | cing | 1-original | 3 | AMBER | coordinate | ensemble |
# 48 CYT NU0: (48 DC5 C4')-(48 DC5 O4')-(48 DC5 C1')-(48 DC5 C2') -44.7 -14.7
&rst iat = 770, 772, 773, 789,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
rk2 = 30.0, rk3 = 30.0, &end
# 48 CYT NU1: (48 DC5 O4')-(48 DC5 C1')-(48 DC5 C2')-(48 DC5 C3') 15.6 45.6
&rst iat = 772, 773, 789, 787,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 48 CYT NU2: (48 DC5 C1')-(48 DC5 C2')-(48 DC5 C3')-(48 DC5 C4') -37.2 0.0
&rst iat = 773, 789, 787, 770,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 48 CYT NU3: (48 DC5 C2')-(48 DC5 C3')-(48 DC5 C4')-(48 DC5 O4') -22.6 24.2
&rst iat = 789, 787, 770, 772,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 48 CYT NU4: (48 DC5 C3')-(48 DC5 C4')-(48 DC5 O4')-(48 DC5 C1') -1.9 36.6
&rst iat = 787, 770, 772, 773,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 49 GUA NU0: (49 DG C4')-(49 DG O4')-(49 DG C1')-(49 DG C2') -44.7 -14.7
&rst iat = 800, 802, 803, 822,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 49 GUA NU1: (49 DG O4')-(49 DG C1')-(49 DG C2')-(49 DG C3') 15.6 45.6
&rst iat = 802, 803, 822, 820,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 49 GUA NU2: (49 DG C1')-(49 DG C2')-(49 DG C3')-(49 DG C4') -37.2 0.0
&rst iat = 803, 822, 820, 800,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 49 GUA NU3: (49 DG C2')-(49 DG C3')-(49 DG C4')-(49 DG O4') -22.6 24.2
&rst iat = 822, 820, 800, 802,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 49 GUA NU4: (49 DG C3')-(49 DG C4')-(49 DG O4')-(49 DG C1') -1.9 36.6
&rst iat = 820, 800, 802, 803,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 50 CYT NU0: (50 DC C4')-(50 DC O4')-(50 DC C1')-(50 DC C2') -44.7 -14.7
&rst iat = 833, 835, 836, 852,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 50 CYT NU1: (50 DC O4')-(50 DC C1')-(50 DC C2')-(50 DC C3') 15.6 45.6
&rst iat = 835, 836, 852, 850,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 50 CYT NU2: (50 DC C1')-(50 DC C2')-(50 DC C3')-(50 DC C4') -37.2 0.0
&rst iat = 836, 852, 850, 833,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 50 CYT NU3: (50 DC C2')-(50 DC C3')-(50 DC C4')-(50 DC O4') -22.6 24.2
&rst iat = 852, 850, 833, 835,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 50 CYT NU4: (50 DC C3')-(50 DC C4')-(50 DC O4')-(50 DC C1') -1.9 36.6
&rst iat = 850, 833, 835, 836,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 51 ADE NU0: (51 DA C4')-(51 DA O4')-(51 DA C1')-(51 DA C2') -44.7 -14.7
&rst iat = 863, 865, 866, 884,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 51 ADE NU1: (51 DA O4')-(51 DA C1')-(51 DA C2')-(51 DA C3') 15.6 45.6
&rst iat = 865, 866, 884, 882,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 51 ADE NU2: (51 DA C1')-(51 DA C2')-(51 DA C3')-(51 DA C4') -37.2 0.0
&rst iat = 866, 884, 882, 863,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 51 ADE NU3: (51 DA C2')-(51 DA C3')-(51 DA C4')-(51 DA O4') -22.6 24.2
&rst iat = 884, 882, 863, 865,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 51 ADE NU4: (51 DA C3')-(51 DA C4')-(51 DA O4')-(51 DA C1') -1.9 36.6
&rst iat = 882, 863, 865, 866,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 52 THY NU0: (52 DT C4')-(52 DT O4')-(52 DT C1')-(52 DT C2') -44.7 -14.7
&rst iat = 895, 897, 898, 916,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 52 THY NU1: (52 DT O4')-(52 DT C1')-(52 DT C2')-(52 DT C3') 15.6 45.6
&rst iat = 897, 898, 916, 914,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 52 THY NU2: (52 DT C1')-(52 DT C2')-(52 DT C3')-(52 DT C4') -37.2 0.0
&rst iat = 898, 916, 914, 895,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 52 THY NU3: (52 DT C2')-(52 DT C3')-(52 DT C4')-(52 DT O4') -22.6 24.2
&rst iat = 916, 914, 895, 897,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 52 THY NU4: (52 DT C3')-(52 DT C4')-(52 DT O4')-(52 DT C1') -1.9 36.6
&rst iat = 914, 895, 897, 898,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 53 ADE NU0: (53 DA C4')-(53 DA O4')-(53 DA C1')-(53 DA C2') -44.7 -14.7
&rst iat = 927, 929, 930, 948,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 53 ADE NU1: (53 DA O4')-(53 DA C1')-(53 DA C2')-(53 DA C3') 15.6 45.6
&rst iat = 929, 930, 948, 946,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 53 ADE NU2: (53 DA C1')-(53 DA C2')-(53 DA C3')-(53 DA C4') -37.2 0.0
&rst iat = 930, 948, 946, 927,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 53 ADE NU3: (53 DA C2')-(53 DA C3')-(53 DA C4')-(53 DA O4') -22.6 24.2
&rst iat = 948, 946, 927, 929,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 53 ADE NU4: (53 DA C3')-(53 DA C4')-(53 DA O4')-(53 DA C1') -1.9 36.6
&rst iat = 946, 927, 929, 930,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 54 THY NU0: (54 DT C4')-(54 DT O4')-(54 DT C1')-(54 DT C2') -44.7 -14.7
&rst iat = 959, 961, 962, 980,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 54 THY NU1: (54 DT O4')-(54 DT C1')-(54 DT C2')-(54 DT C3') 15.6 45.6
&rst iat = 961, 962, 980, 978,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 54 THY NU2: (54 DT C1')-(54 DT C2')-(54 DT C3')-(54 DT C4') -37.2 0.0
&rst iat = 962, 980, 978, 959,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 54 THY NU3: (54 DT C2')-(54 DT C3')-(54 DT C4')-(54 DT O4') -22.6 24.2
&rst iat = 980, 978, 959, 961,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 54 THY NU4: (54 DT C3')-(54 DT C4')-(54 DT O4')-(54 DT C1') -1.9 36.6
&rst iat = 978, 959, 961, 962,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 55 ADE NU0: (55 DA C4')-(55 DA O4')-(55 DA C1')-(55 DA C2') -44.7 -14.7
&rst iat = 991, 993, 994, 1012,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 55 ADE NU1: (55 DA O4')-(55 DA C1')-(55 DA C2')-(55 DA C3') 15.6 45.6
&rst iat = 993, 994, 1012, 1010,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 55 ADE NU2: (55 DA C1')-(55 DA C2')-(55 DA C3')-(55 DA C4') -37.2 0.0
&rst iat = 994, 1012, 1010, 991,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 55 ADE NU3: (55 DA C2')-(55 DA C3')-(55 DA C4')-(55 DA O4') -22.6 24.2
&rst iat = 1012, 1010, 991, 993,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 55 ADE NU4: (55 DA C3')-(55 DA C4')-(55 DA O4')-(55 DA C1') -1.9 36.6
&rst iat = 1010, 991, 993, 994,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 56 THY NU0: (56 DT C4')-(56 DT O4')-(56 DT C1')-(56 DT C2') -44.7 -14.7
&rst iat = 1023, 1025, 1026, 1044,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 56 THY NU1: (56 DT O4')-(56 DT C1')-(56 DT C2')-(56 DT C3') 15.6 45.6
&rst iat = 1025, 1026, 1044, 1042,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 56 THY NU2: (56 DT C1')-(56 DT C2')-(56 DT C3')-(56 DT C4') -37.2 0.0
&rst iat = 1026, 1044, 1042, 1023,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 56 THY NU3: (56 DT C2')-(56 DT C3')-(56 DT C4')-(56 DT O4') -22.6 24.2
&rst iat = 1044, 1042, 1023, 1025,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 56 THY NU4: (56 DT C3')-(56 DT C4')-(56 DT O4')-(56 DT C1') -1.9 36.6
&rst iat = 1042, 1023, 1025, 1026,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 57 GUA NU0: (57 DG C4')-(57 DG O4')-(57 DG C1')-(57 DG C2') -44.7 -14.7
&rst iat = 1055, 1057, 1058, 1077,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 57 GUA NU1: (57 DG O4')-(57 DG C1')-(57 DG C2')-(57 DG C3') 15.6 45.6
&rst iat = 1057, 1058, 1077, 1075,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 57 GUA NU2: (57 DG C1')-(57 DG C2')-(57 DG C3')-(57 DG C4') -37.2 0.0
&rst iat = 1058, 1077, 1075, 1055,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 57 GUA NU3: (57 DG C2')-(57 DG C3')-(57 DG C4')-(57 DG O4') -22.6 24.2
&rst iat = 1077, 1075, 1055, 1057,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 57 GUA NU4: (57 DG C3')-(57 DG C4')-(57 DG O4')-(57 DG C1') -1.9 36.6
&rst iat = 1075, 1055, 1057, 1058,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 58 CYT NU0: (58 DC C4')-(58 DC O4')-(58 DC C1')-(58 DC C2') -44.7 -14.7
&rst iat = 1088, 1090, 1091, 1107,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 58 CYT NU1: (58 DC O4')-(58 DC C1')-(58 DC C2')-(58 DC C3') 15.6 45.6
&rst iat = 1090, 1091, 1107, 1105,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 58 CYT NU2: (58 DC C1')-(58 DC C2')-(58 DC C3')-(58 DC C4') -37.2 0.0
&rst iat = 1091, 1107, 1105, 1088,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 58 CYT NU3: (58 DC C2')-(58 DC C3')-(58 DC C4')-(58 DC O4') -22.6 24.2
&rst iat = 1107, 1105, 1088, 1090,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 58 CYT NU4: (58 DC C3')-(58 DC C4')-(58 DC O4')-(58 DC C1') -1.9 36.6
&rst iat = 1105, 1088, 1090, 1091,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 59 GUA NU0: (59 DG3 C4')-(59 DG3 O4')-(59 DG3 C1')-(59 DG3 C2') -44.7 -14.7
&rst iat = 1118, 1120, 1121, 1140,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 59 GUA NU1: (59 DG3 O4')-(59 DG3 C1')-(59 DG3 C2')-(59 DG3 C3') 15.6 45.6
&rst iat = 1120, 1121, 1140, 1138,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 59 GUA NU2: (59 DG3 C1')-(59 DG3 C2')-(59 DG3 C3')-(59 DG3 C4') -37.2 0.0
&rst iat = 1121, 1140, 1138, 1118,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 59 GUA NU3: (59 DG3 C2')-(59 DG3 C3')-(59 DG3 C4')-(59 DG3 O4') -22.6 24.2
&rst iat = 1140, 1138, 1118, 1120,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 59 GUA NU4: (59 DG3 C3')-(59 DG3 C4')-(59 DG3 O4')-(59 DG3 C1') -1.9 36.6
&rst iat = 1138, 1118, 1120, 1121,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 60 CYT NU0: (60 DC5 C4')-(60 DC5 O4')-(60 DC5 C1')-(60 DC5 C2') -44.7 -14.7
&rst iat = 1150, 1152, 1153, 1169,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 60 CYT NU1: (60 DC5 O4')-(60 DC5 C1')-(60 DC5 C2')-(60 DC5 C3') 15.6 45.6
&rst iat = 1152, 1153, 1169, 1167,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 60 CYT NU2: (60 DC5 C1')-(60 DC5 C2')-(60 DC5 C3')-(60 DC5 C4') -37.2 0.0
&rst iat = 1153, 1169, 1167, 1150,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 60 CYT NU3: (60 DC5 C2')-(60 DC5 C3')-(60 DC5 C4')-(60 DC5 O4') -22.6 24.2
&rst iat = 1169, 1167, 1150, 1152,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 60 CYT NU4: (60 DC5 C3')-(60 DC5 C4')-(60 DC5 O4')-(60 DC5 C1') -1.9 36.6
&rst iat = 1167, 1150, 1152, 1153,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 61 GUA NU0: (61 DG C4')-(61 DG O4')-(61 DG C1')-(61 DG C2') -44.7 -14.7
&rst iat = 1180, 1182, 1183, 1202,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 61 GUA NU1: (61 DG O4')-(61 DG C1')-(61 DG C2')-(61 DG C3') 15.6 45.6
&rst iat = 1182, 1183, 1202, 1200,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 61 GUA NU2: (61 DG C1')-(61 DG C2')-(61 DG C3')-(61 DG C4') -37.2 0.0
&rst iat = 1183, 1202, 1200, 1180,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 61 GUA NU3: (61 DG C2')-(61 DG C3')-(61 DG C4')-(61 DG O4') -22.6 24.2
&rst iat = 1202, 1200, 1180, 1182,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 61 GUA NU4: (61 DG C3')-(61 DG C4')-(61 DG O4')-(61 DG C1') -1.9 36.6
&rst iat = 1200, 1180, 1182, 1183,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 62 CYT NU0: (62 DC C4')-(62 DC O4')-(62 DC C1')-(62 DC C2') -44.7 -14.7
&rst iat = 1213, 1215, 1216, 1232,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 62 CYT NU1: (62 DC O4')-(62 DC C1')-(62 DC C2')-(62 DC C3') 15.6 45.6
&rst iat = 1215, 1216, 1232, 1230,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 62 CYT NU2: (62 DC C1')-(62 DC C2')-(62 DC C3')-(62 DC C4') -37.2 0.0
&rst iat = 1216, 1232, 1230, 1213,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 62 CYT NU3: (62 DC C2')-(62 DC C3')-(62 DC C4')-(62 DC O4') -22.6 24.2
&rst iat = 1232, 1230, 1213, 1215,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 62 CYT NU4: (62 DC C3')-(62 DC C4')-(62 DC O4')-(62 DC C1') -1.9 36.6
&rst iat = 1230, 1213, 1215, 1216,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 63 ADE NU0: (63 DA C4')-(63 DA O4')-(63 DA C1')-(63 DA C2') -44.7 -14.7
&rst iat = 1243, 1245, 1246, 1264,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 63 ADE NU1: (63 DA O4')-(63 DA C1')-(63 DA C2')-(63 DA C3') 15.6 45.6
&rst iat = 1245, 1246, 1264, 1262,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 63 ADE NU2: (63 DA C1')-(63 DA C2')-(63 DA C3')-(63 DA C4') -37.2 0.0
&rst iat = 1246, 1264, 1262, 1243,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 63 ADE NU3: (63 DA C2')-(63 DA C3')-(63 DA C4')-(63 DA O4') -22.6 24.2
&rst iat = 1264, 1262, 1243, 1245,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 63 ADE NU4: (63 DA C3')-(63 DA C4')-(63 DA O4')-(63 DA C1') -1.9 36.6
&rst iat = 1262, 1243, 1245, 1246,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 64 THY NU0: (64 DT C4')-(64 DT O4')-(64 DT C1')-(64 DT C2') -44.7 -14.7
&rst iat = 1275, 1277, 1278, 1296,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 64 THY NU1: (64 DT O4')-(64 DT C1')-(64 DT C2')-(64 DT C3') 15.6 45.6
&rst iat = 1277, 1278, 1296, 1294,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 64 THY NU2: (64 DT C1')-(64 DT C2')-(64 DT C3')-(64 DT C4') -37.2 0.0
&rst iat = 1278, 1296, 1294, 1275,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 64 THY NU3: (64 DT C2')-(64 DT C3')-(64 DT C4')-(64 DT O4') -22.6 24.2
&rst iat = 1296, 1294, 1275, 1277,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 64 THY NU4: (64 DT C3')-(64 DT C4')-(64 DT O4')-(64 DT C1') -1.9 36.6
&rst iat = 1294, 1275, 1277, 1278,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 65 ADE NU0: (65 DA C4')-(65 DA O4')-(65 DA C1')-(65 DA C2') -44.7 -14.7
&rst iat = 1307, 1309, 1310, 1328,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 65 ADE NU1: (65 DA O4')-(65 DA C1')-(65 DA C2')-(65 DA C3') 15.6 45.6
&rst iat = 1309, 1310, 1328, 1326,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 65 ADE NU2: (65 DA C1')-(65 DA C2')-(65 DA C3')-(65 DA C4') -37.2 0.0
&rst iat = 1310, 1328, 1326, 1307,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 65 ADE NU3: (65 DA C2')-(65 DA C3')-(65 DA C4')-(65 DA O4') -22.6 24.2
&rst iat = 1328, 1326, 1307, 1309,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 65 ADE NU4: (65 DA C3')-(65 DA C4')-(65 DA O4')-(65 DA C1') -1.9 36.6
&rst iat = 1326, 1307, 1309, 1310,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 66 THY NU0: (66 DT C4')-(66 DT O4')-(66 DT C1')-(66 DT C2') -44.7 -14.7
&rst iat = 1339, 1341, 1342, 1360,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 66 THY NU1: (66 DT O4')-(66 DT C1')-(66 DT C2')-(66 DT C3') 15.6 45.6
&rst iat = 1341, 1342, 1360, 1358,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 66 THY NU2: (66 DT C1')-(66 DT C2')-(66 DT C3')-(66 DT C4') -37.2 0.0
&rst iat = 1342, 1360, 1358, 1339,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 66 THY NU3: (66 DT C2')-(66 DT C3')-(66 DT C4')-(66 DT O4') -22.6 24.2
&rst iat = 1360, 1358, 1339, 1341,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 66 THY NU4: (66 DT C3')-(66 DT C4')-(66 DT O4')-(66 DT C1') -1.9 36.6
&rst iat = 1358, 1339, 1341, 1342,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 67 ADE NU0: (67 DA C4')-(67 DA O4')-(67 DA C1')-(67 DA C2') -44.7 -14.7
&rst iat = 1371, 1373, 1374, 1392,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 67 ADE NU1: (67 DA O4')-(67 DA C1')-(67 DA C2')-(67 DA C3') 15.6 45.6
&rst iat = 1373, 1374, 1392, 1390,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 67 ADE NU2: (67 DA C1')-(67 DA C2')-(67 DA C3')-(67 DA C4') -37.2 0.0
&rst iat = 1374, 1392, 1390, 1371,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 67 ADE NU3: (67 DA C2')-(67 DA C3')-(67 DA C4')-(67 DA O4') -22.6 24.2
&rst iat = 1392, 1390, 1371, 1373,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 67 ADE NU4: (67 DA C3')-(67 DA C4')-(67 DA O4')-(67 DA C1') -1.9 36.6
&rst iat = 1390, 1371, 1373, 1374,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 68 THY NU0: (68 DT C4')-(68 DT O4')-(68 DT C1')-(68 DT C2') -44.7 -14.7
&rst iat = 1403, 1405, 1406, 1424,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 68 THY NU1: (68 DT O4')-(68 DT C1')-(68 DT C2')-(68 DT C3') 15.6 45.6
&rst iat = 1405, 1406, 1424, 1422,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 68 THY NU2: (68 DT C1')-(68 DT C2')-(68 DT C3')-(68 DT C4') -37.2 0.0
&rst iat = 1406, 1424, 1422, 1403,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 68 THY NU3: (68 DT C2')-(68 DT C3')-(68 DT C4')-(68 DT O4') -22.6 24.2
&rst iat = 1424, 1422, 1403, 1405,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 68 THY NU4: (68 DT C3')-(68 DT C4')-(68 DT O4')-(68 DT C1') -1.9 36.6
&rst iat = 1422, 1403, 1405, 1406,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 69 GUA NU0: (69 DG C4')-(69 DG O4')-(69 DG C1')-(69 DG C2') -44.7 -14.7
&rst iat = 1435, 1437, 1438, 1457,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 69 GUA NU1: (69 DG O4')-(69 DG C1')-(69 DG C2')-(69 DG C3') 15.6 45.6
&rst iat = 1437, 1438, 1457, 1455,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 69 GUA NU2: (69 DG C1')-(69 DG C2')-(69 DG C3')-(69 DG C4') -37.2 0.0
&rst iat = 1438, 1457, 1455, 1435,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 69 GUA NU3: (69 DG C2')-(69 DG C3')-(69 DG C4')-(69 DG O4') -22.6 24.2
&rst iat = 1457, 1455, 1435, 1437,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 69 GUA NU4: (69 DG C3')-(69 DG C4')-(69 DG O4')-(69 DG C1') -1.9 36.6
&rst iat = 1455, 1435, 1437, 1438,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 70 CYT NU0: (70 DC C4')-(70 DC O4')-(70 DC C1')-(70 DC C2') -44.7 -14.7
&rst iat = 1468, 1470, 1471, 1487,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 70 CYT NU1: (70 DC O4')-(70 DC C1')-(70 DC C2')-(70 DC C3') 15.6 45.6
&rst iat = 1470, 1471, 1487, 1485,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 70 CYT NU2: (70 DC C1')-(70 DC C2')-(70 DC C3')-(70 DC C4') -37.2 0.0
&rst iat = 1471, 1487, 1485, 1468,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 70 CYT NU3: (70 DC C2')-(70 DC C3')-(70 DC C4')-(70 DC O4') -22.6 24.2
&rst iat = 1487, 1485, 1468, 1470,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 70 CYT NU4: (70 DC C3')-(70 DC C4')-(70 DC O4')-(70 DC C1') -1.9 36.6
&rst iat = 1485, 1468, 1470, 1471,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end
# 71 GUA NU0: (71 DG3 C4')-(71 DG3 O4')-(71 DG3 C1')-(71 DG3 C2') -44.7 -14.7
&rst iat = 1498, 1500, 1501, 1520,
r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
&end
# 71 GUA NU1: (71 DG3 O4')-(71 DG3 C1')-(71 DG3 C2')-(71 DG3 C3') 15.6 45.6
&rst iat = 1500, 1501, 1520, 1518,
r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6,
&end
# 71 GUA NU2: (71 DG3 C1')-(71 DG3 C2')-(71 DG3 C3')-(71 DG3 C4') -37.2 0.0
&rst iat = 1501, 1520, 1518, 1498,
r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0,
&end
# 71 GUA NU3: (71 DG3 C2')-(71 DG3 C3')-(71 DG3 C4')-(71 DG3 O4') -22.6 24.2
&rst iat = 1520, 1518, 1498, 1500,
r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2,
&end
# 71 GUA NU4: (71 DG3 C3')-(71 DG3 C4')-(71 DG3 O4')-(71 DG3 C1') -1.9 36.6
&rst iat = 1518, 1498, 1500, 1501,
r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6,
&end# 48 CYT N3 71 GUA N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 784,1510, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&end
#