NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
21428 | 2hli | cing | 1-original | 1 | AMBER | dihedral angle |
# 769 atoms read from pdb file /home/youngjin/OPEN_S/EM/xleap/o4.min.pdb. # 2 CYT NU0: (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') -44.7 -14.7 &rst iat = 39, 41, 42, 58, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, rk2 = 32.0, rk3 = 32.0, &end # 2 CYT NU1: (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3') 18.1 48.1 &rst iat = 41, 42, 58, 56, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 2 CYT NU2: (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') -37.2 -6.7 &rst iat = 42, 58, 56, 39, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 2 CYT NU3: (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4') -16.9 24.2 &rst iat = 58, 56, 39, 41, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 2 CYT NU4: (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1') -1.9 34.0 &rst iat = 56, 39, 41, 42, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 3 THY NU0: (3 DT C4')-(3 DT O4')-(3 DT C1')-(3 DT C2') -44.7 -14.7 &rst iat = 69, 71, 72, 90, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 3 THY NU1: (3 DT O4')-(3 DT C1')-(3 DT C2')-(3 DT C3') 18.1 48.1 &rst iat = 71, 72, 90, 88, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 3 THY NU2: (3 DT C1')-(3 DT C2')-(3 DT C3')-(3 DT C4') -37.2 -6.7 &rst iat = 72, 90, 88, 69, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 3 THY NU3: (3 DT C2')-(3 DT C3')-(3 DT C4')-(3 DT O4') -16.9 24.2 &rst iat = 90, 88, 69, 71, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 3 THY NU4: (3 DT C3')-(3 DT C4')-(3 DT O4')-(3 DT C1') -1.9 34.0 &rst iat = 88, 69, 71, 72, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 4 ADE NU0: (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') -39.4 -9.4 &rst iat = 101, 103, 104, 122, r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, &end # 4 ADE NU1: (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3') 19.8 49.8 &rst iat = 103, 104, 122, 120, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 4 ADE NU2: (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') -45.3 -15.3 &rst iat = 104, 122, 120, 101, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 4 ADE NU3: (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4') -0.7 31.1 &rst iat = 122, 120, 101, 103, r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, &end # 4 ADE NU4: (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1') -11.8 23.2 &rst iat = 120, 101, 103, 104, r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, &end # 5 GUA NU0: (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -39.4 -9.4 &rst iat = 133, 135, 136, 155, r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, &end # 5 GUA NU1: (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3') 19.8 49.8 &rst iat = 135, 136, 155, 153, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 5 GUA NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -45.3 -15.3 &rst iat = 136, 155, 153, 133, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 5 GUA NU3: (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4') -0.7 31.1 &rst iat = 155, 153, 133, 135, r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, &end # 5 GUA NU4: (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -11.8 23.2 &rst iat = 153, 133, 135, 136, r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, &end # 6 CYT NU0: (6 DC C4')-(6 DC O4')-(6 DC C1')-(6 DC C2') -48.6 -18.6 &rst iat = 166, 168, 169, 185, r1 = -49.6, r2 = -48.6, r3 = -18.6, r4 = -17.6, &end # 6 CYT NU1: (6 DC O4')-(6 DC C1')-(6 DC C2')-(6 DC C3') 15.6 45.6 &rst iat = 168, 169, 185, 183, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 6 CYT NU2: (6 DC C1')-(6 DC C2')-(6 DC C3')-(6 DC C4') -33.3 0.0 &rst iat = 169, 185, 183, 166, r1 = -34.3, r2 = -33.3, r3 = 0.0, r4 = 1.0, &end # 6 CYT NU3: (6 DC C2')-(6 DC C3')-(6 DC C4')-(6 DC O4') -22.6 15.7 &rst iat = 185, 183, 166, 168, r1 = -23.6, r2 = -22.6, r3 = 15.7, r4 = 16.7, &end # 6 CYT NU4: (6 DC C3')-(6 DC C4')-(6 DC O4')-(6 DC C1') 7.3 37.3 &rst iat = 183, 166, 168, 169, r1 = 6.3, r2 = 7.3, r3 = 37.3, r4 = 38.3, &end # 7 S NU0: (7 DS C4')-(7 DS O4')-(7 DS C1')-(7 DS C2') -37.7 -7.7 # &rst iat = 196, 197, 205, 202, # r1 = -38.7, r2 = -37.7, r3 = -7.7, r4 = -6.7, # &end # # 7 S NU1: (7 DS O4')-(7 DS C1')-(7 DS C2')-(7 DS C3') 18.8 48.8 # &rst iat = 197, 205, 202, 199, ## r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, # &end # # 7 S NU2: (7 DS C1')-(7 DS C2')-(7 DS C3')-(7 DS C4') -45.3 -15.3 # &rst iat = 205, 202, 199, 196, # r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, # &end # # 7 S NU3: (7 DS C2')-(7 DS C3')-(7 DS C4')-(7 DS O4') -0.7 33.0 # &rst iat = 202, 199, 196, 197, # r1 = -1.7, r2 = -0.7, r3 = 33.0, r4 = 34.0, # &end # # 7 S NU4: (7 DS C3')-(7 DS C4')-(7 DS O4')-(7 DS C1') -15.0 23.2 # &rst iat = 199, 196, 197, 205, # r1 = -16.0, r2 = -15.0, r3 = 23.2, r4 = 24.2, # &end # # 8 ADE NU0: (8 DA C4')-(8 DA O4')-(8 DA C1')-(8 DA C2') -39.4 -9.4 # &rst iat = 240, 242, 243, 261, # r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, # &end # # 8 ADE NU1: (8 DA O4')-(8 DA C1')-(8 DA C2')-(8 DA C3') 19.8 49.8 # &rst iat = 242, 243, 261, 259, # r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, # &end # # 8 ADE NU2: (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -45.3 -15.3 # &rst iat = 243, 261, 259, 240, # r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, # &end # # 8 ADE NU3: (8 DA C2')-(8 DA C3')-(8 DA C4')-(8 DA O4') -0.7 31.1 # &rst iat = 261, 259, 240, 242, # r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, # &end # ## 8 ADE NU4: (8 DA C3')-(8 DA C4')-(8 DA O4')-(8 DA C1') -11.8 23.2 # &rst iat = 259, 240, 242, 243, # r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, # &end # # 9 GUA NU0: (9 DG C4')-(9 DG O4')-(9 DG C1')-(9 DG C2') -39.4 -9.4 &rst iat = 272, 274, 275, 294, r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, &end # 9 GUA NU1: (9 DG O4')-(9 DG C1')-(9 DG C2')-(9 DG C3') 19.8 49.8 &rst iat = 274, 275, 294, 292, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 9 GUA NU2: (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -45.3 -15.3 &rst iat = 275, 294, 292, 272, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 9 GUA NU3: (9 DG C2')-(9 DG C3')-(9 DG C4')-(9 DG O4') -0.7 31.1 &rst iat = 294, 292, 272, 274, r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, &end # 9 GUA NU4: (9 DG C3')-(9 DG C4')-(9 DG O4')-(9 DG C1') -11.8 23.2 &rst iat = 292, 272, 274, 275, r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, &end # 10 THY NU0: (10 DT C4')-(10 DT O4')-(10 DT C1')-(10 DT C2') -44.7 -14.7 &rst iat = 305, 307, 308, 326, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 10 THY NU1: (10 DT O4')-(10 DT C1')-(10 DT C2')-(10 DT C3') 18.1 48.1 &rst iat = 307, 308, 326, 324, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 10 THY NU2: (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -37.2 -6.7 &rst iat = 308, 326, 324, 305, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 10 THY NU3: (10 DT C2')-(10 DT C3')-(10 DT C4')-(10 DT O4') -16.9 24.2 &rst iat = 326, 324, 305, 307, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 10 THY NU4: (10 DT C3')-(10 DT C4')-(10 DT O4')-(10 DT C1') -1.9 34.0 &rst iat = 324, 305, 307, 308, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 11 CYT NU0: (11 DC C4')-(11 DC O4')-(11 DC C1')-(11 DC C2') -44.7 -14.7 &rst iat = 337, 339, 340, 356, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 11 CYT NU1: (11 DC O4')-(11 DC C1')-(11 DC C2')-(11 DC C3') 18.1 48.1 &rst iat = 339, 340, 356, 354, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 11 CYT NU2: (11 DC C1')-(11 DC C2')-(11 DC C3')-(11 DC C4') -37.2 -6.7 &rst iat = 340, 356, 354, 337, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 11 CYT NU3: (11 DC C2')-(11 DC C3')-(11 DC C4')-(11 DC O4') -16.9 24.2 &rst iat = 356, 354, 337, 339, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 11 CYT NU4: (11 DC C3')-(11 DC C4')-(11 DC O4')-(11 DC C1') -1.9 34.0 &rst iat = 354, 337, 339, 340, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 14 GUA NU0: (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -39.4 -9.4 &rst iat = 429, 431, 432, 451, r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, &end # 14 GUA NU1: (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3') 19.8 49.8 &rst iat = 431, 432, 451, 449, 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') -45.3 -15.3 &rst iat = 432, 451, 449, 429, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 14 GUA NU3: (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4') -0.7 31.1 &rst iat = 451, 449, 429, 431, r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, &end # 14 GUA NU4: (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -11.8 23.2 &rst iat = 449, 429, 431, 432, r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, &end # 15 ADE NU0: (15 DA C4')-(15 DA O4')-(15 DA C1')-(15 DA C2') -39.4 -9.4 &rst iat = 462, 464, 465, 483, r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, &end # 15 ADE NU1: (15 DA O4')-(15 DA C1')-(15 DA C2')-(15 DA C3') 19.8 49.8 &rst iat = 464, 465, 483, 481, 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') -45.3 -15.3 &rst iat = 465, 483, 481, 462, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 15 ADE NU3: (15 DA C2')-(15 DA C3')-(15 DA C4')-(15 DA O4') -0.7 31.1 &rst iat = 483, 481, 462, 464, r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, &end # 15 ADE NU4: (15 DA C3')-(15 DA C4')-(15 DA O4')-(15 DA C1') -11.8 23.2 &rst iat = 481, 462, 464, 465, r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, &end # 16 CYT NU0: (16 DC C4')-(16 DC O4')-(16 DC C1')-(16 DC C2') -44.7 -14.7 &rst iat = 494, 496, 497, 513, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 16 CYT NU1: (16 DC O4')-(16 DC C1')-(16 DC C2')-(16 DC C3') 18.1 48.1 &rst iat = 496, 497, 513, 511, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 16 CYT NU2: (16 DC C1')-(16 DC C2')-(16 DC C3')-(16 DC C4') -37.2 -6.7 &rst iat = 497, 513, 511, 494, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 16 CYT NU3: (16 DC C2')-(16 DC C3')-(16 DC C4')-(16 DC O4') -16.9 24.2 &rst iat = 513, 511, 494, 496, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 16 CYT NU4: (16 DC C3')-(16 DC C4')-(16 DC O4')-(16 DC C1') -1.9 34.0 &rst iat = 511, 494, 496, 497, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 17 THY NU0: (17 DT C4')-(17 DT O4')-(17 DT C1')-(17 DT C2') -44.7 -14.7 &rst iat = 524, 526, 527, 545, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 17 THY NU1: (17 DT O4')-(17 DT C1')-(17 DT C2')-(17 DT C3') 18.1 48.1 &rst iat = 526, 527, 545, 543, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 17 THY NU2: (17 DT C1')-(17 DT C2')-(17 DT C3')-(17 DT C4') -37.2 -6.7 &rst iat = 527, 545, 543, 524, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 17 THY NU3: (17 DT C2')-(17 DT C3')-(17 DT C4')-(17 DT O4') -16.9 24.2 &rst iat = 545, 543, 524, 526, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 17 THY NU4: (17 DT C3')-(17 DT C4')-(17 DT O4')-(17 DT C1') -1.9 34.0 &rst iat = 543, 524, 526, 527, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 18 CYT NU0: (18 DC C4')-(18 DC O4')-(18 DC C1')-(18 DC C2') -44.7 -14.7 &rst iat = 556, 558, 559, 575, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 18 CYT NU1: (18 DC O4')-(18 DC C1')-(18 DC C2')-(18 DC C3') 18.1 48.1 &rst iat = 558, 559, 575, 573, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 18 CYT NU2: (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -37.2 -6.7 &rst iat = 559, 575, 573, 556, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 18 CYT NU3: (18 DC C2')-(18 DC C3')-(18 DC C4')-(18 DC O4') -16.9 24.2 &rst iat = 575, 573, 556, 558, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 18 CYT NU4: (18 DC C3')-(18 DC C4')-(18 DC O4')-(18 DC C1') -1.9 34.0 &rst iat = 573, 556, 558, 559, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 19 GUA NU0: (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -39.4 -9.4 &rst iat = 586, 588, 589, 608, r1 = -40.4, r2 = -39.4, r3 = -9.4, r4 = -8.4, &end # 19 GUA NU1: (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3') 19.8 49.8 &rst iat = 588, 589, 608, 606, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 19 GUA NU2: (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -45.3 -15.3 &rst iat = 589, 608, 606, 586, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 19 GUA NU3: (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4') -0.7 31.1 &rst iat = 608, 606, 586, 588, r1 = -1.7, r2 = -0.7, r3 = 31.1, r4 = 32.1, &end # 19 GUA NU4: (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -11.8 23.2 &rst iat = 606, 586, 588, 589, r1 = -12.8, r2 = -11.8, r3 = 23.2, r4 = 24.2, &end # 20 CYT NU0: (20 DC C4')-(20 DC O4')-(20 DC C1')-(20 DC C2') -44.7 -14.7 &rst iat = 619, 621, 622, 638, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 20 CYT NU1: (20 DC O4')-(20 DC C1')-(20 DC C2')-(20 DC C3') 18.1 48.1 &rst iat = 621, 622, 638, 636, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 20 CYT NU2: (20 DC C1')-(20 DC C2')-(20 DC C3')-(20 DC C4') -37.2 -6.7 &rst iat = 622, 638, 636, 619, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 20 CYT NU3: (20 DC C2')-(20 DC C3')-(20 DC C4')-(20 DC O4') -16.9 24.2 &rst iat = 638, 636, 619, 621, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 20 CYT NU4: (20 DC C3')-(20 DC C4')-(20 DC O4')-(20 DC C1') -1.9 34.0 &rst iat = 636, 619, 621, 622, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 21 THY NU0: (21 DT C4')-(21 DT O4')-(21 DT C1')-(21 DT C2') -44.7 -14.7 &rst iat = 649, 651, 652, 670, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 21 THY NU1: (21 DT O4')-(21 DT C1')-(21 DT C2')-(21 DT C3') 18.1 48.1 &rst iat = 651, 652, 670, 668, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 21 THY NU2: (21 DT C1')-(21 DT C2')-(21 DT C3')-(21 DT C4') -37.2 -6.7 &rst iat = 652, 670, 668, 649, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 21 THY NU3: (21 DT C2')-(21 DT C3')-(21 DT C4')-(21 DT O4') -16.9 24.2 &rst iat = 670, 668, 649, 651, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 21 THY NU4: (21 DT C3')-(21 DT C4')-(21 DT O4')-(21 DT C1') -1.9 34.0 &rst iat = 668, 649, 651, 652, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 22 ADE NU0: (22 DA C4')-(22 DA O4')-(22 DA C1')-(22 DA C2') -37.7 -7.7 &rst iat = 681, 683, 684, 702, r1 = -38.7, r2 = -37.7, r3 = -7.7, r4 = -6.7, &end # 22 ADE NU1: (22 DA O4')-(22 DA C1')-(22 DA C2')-(22 DA C3') 18.8 48.8 &rst iat = 683, 684, 702, 700, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 22 ADE NU2: (22 DA C1')-(22 DA C2')-(22 DA C3')-(22 DA C4') -45.3 -15.3 &rst iat = 684, 702, 700, 681, r1 = -46.3, r2 = -45.3, r3 = -15.3, r4 = -14.3, &end # 22 ADE NU3: (22 DA C2')-(22 DA C3')-(22 DA C4')-(22 DA O4') -0.7 33.0 &rst iat = 702, 700, 681, 683, r1 = -1.7, r2 = -0.7, r3 = 33.0, r4 = 34.0, &end # 22 ADE NU4: (22 DA C3')-(22 DA C4')-(22 DA O4')-(22 DA C1') -15.0 23.2 &rst iat = 700, 681, 683, 684, r1 = -16.0, r2 = -15.0, r3 = 23.2, r4 = 24.2, &end # 23 GUA NU0: (23 DG C4')-(23 DG O4')-(23 DG C1')-(23 DG C2') -38.6 -8.6 &rst iat = 713, 715, 716, 735, r1 = -39.6, r2 = -38.6, r3 = -8.6, r4 = -7.6, &end # 23 GUA NU1: (23 DG O4')-(23 DG C1')-(23 DG C2')-(23 DG C3') 18.1 48.1 &rst iat = 715, 716, 735, 733, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 23 GUA NU2: (23 DG C1')-(23 DG C2')-(23 DG C3')-(23 DG C4') -38.5 -6.7 &rst iat = 716, 735, 733, 713, r1 = -39.5, r2 = -38.5, r3 = -6.7, r4 = -5.7, &end # 23 GUA NU3: (23 DG C2')-(23 DG C3')-(23 DG C4')-(23 DG O4') -16.9 33.0 &rst iat = 735, 733, 713, 715, r1 = -17.9, r2 = -16.9, r3 = 33.0, r4 = 34.0, &end # 23 GUA NU4: (23 DG C3')-(23 DG C4')-(23 DG O4')-(23 DG C1') -15.0 34.0 &rst iat = 733, 713, 715, 716, r1 = -16.0, r2 = -15.0, r3 = 34.0, r4 = 35.0, &end
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