NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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27849 |
2rqc   |
cing | 1-original | 4 | AMBER | dihedral angle |
# 1899 atoms read from pdb file leap.pdb. # 9 THR PHI: (8 LEU C)-(9 THR N)-(9 THR CA)-(9 THR C) -180.0 0.0 &rst iat = 85, 87, 89, 99, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, rk2 = 60.0, rk3 = 60.0, &end # 12 SER PHI: (11 GLN C)-(12 SER N)-(12 SER CA)-(12 SER C) -180.0 0.0 &rst iat = 133, 135, 137, 144, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 13 ILE PHI: (12 SER C)-(13 ILE N)-(13 ILE CA)-(13 ILE C) -180.0 0.0 &rst iat = 144, 146, 148, 163, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 19 GLN PHI: (18 SER C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -180.0 0.0 &rst iat = 208, 210, 212, 225, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 21 GLU PHI: (20 LYS C)-(21 GLU N)-(21 GLU CA)-(21 GLU C) -100.0 -20.0 &rst iat = 247, 249, 251, 262, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 27 ASN PHI: (26 ALA C)-(27 ASN N)-(27 ASN CA)-(27 ASN C) -140.0 -100.0 &rst iat = 315, 317, 319, 329, r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0, &end # 28 LEU CHI1: (28 LEU N)-(28 LEU CA)-(28 LEU CB)-(28 LEU CG) -80.0 -40.0 &rst iat = 331, 333, 335, 338, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 28 LEU CHI2: (28 LEU CA)-(28 LEU CB)-(28 LEU CG)-(28 LEU CD1) -200.0 -160.0 &rst iat = 333, 335, 338, 340, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 29 PHE CHI1: (29 PHE N)-(29 PHE CA)-(29 PHE CB)-(29 PHE CG) -200.0 -160.0 &rst iat = 350, 352, 354, 357, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 30 ILE CHI1: (30 ILE N)-(30 ILE CA)-(30 ILE CB)-(30 ILE CG1) -80.0 -40.0 &rst iat = 370, 372, 374, 380, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 30 ILE CHI21: (30 ILE CA)-(30 ILE CB)-(30 ILE CG1)-(30 ILE CD1) 20.0 90.0 &rst iat = 372, 374, 380, 383, r1 = 19.0, r2 = 20.0, r3 = 90.0, r4 = 91.0, &end # 31 TYR CHI1: (31 TYR N)-(31 TYR CA)-(31 TYR CB)-(31 TYR CG) -200.0 -160.0 &rst iat = 389, 391, 393, 396, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 32 HIS PHI: (31 TYR C)-(32 HIE N)-(32 HIE CA)-(32 HIE C) 30.0 90.0 &rst iat = 408, 410, 412, 425, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 33 LEU CHI1: (33 LEU N)-(33 LEU CA)-(33 LEU CB)-(33 LEU CG) -80.0 -40.0 &rst iat = 427, 429, 431, 434, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 33 LEU CHI2: (33 LEU CA)-(33 LEU CB)-(33 LEU CG)-(33 LEU CD1) -200.0 -160.0 &rst iat = 429, 431, 434, 436, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 35 GLN PHI: (34 PRO C)-(35 GLN N)-(35 GLN CA)-(35 GLN C) -180.0 0.0 &rst iat = 458, 460, 462, 475, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 41 ASP CHI1: (41 ASP N)-(41 ASP CA)-(41 ASP CB)-(41 ASP CG) -80.0 -40.0 &rst iat = 548, 550, 552, 555, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 42 LEU CHI1: (42 LEU N)-(42 LEU CA)-(42 LEU CB)-(42 LEU CG) -200.0 -160.0 &rst iat = 560, 562, 564, 567, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 42 LEU CHI2: (42 LEU CA)-(42 LEU CB)-(42 LEU CG)-(42 LEU CD1) 40.0 80.0 &rst iat = 562, 564, 567, 569, r1 = 39.0, r2 = 40.0, r3 = 80.0, r4 = 81.0, &end # 43 LEU CHI1: (43 LEU N)-(43 LEU CA)-(43 LEU CB)-(43 LEU CG) -200.0 -160.0 &rst iat = 579, 581, 583, 586, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 43 LEU CHI2: (43 LEU CA)-(43 LEU CB)-(43 LEU CG)-(43 LEU CD1) 40.0 80.0 &rst iat = 581, 583, 586, 588, r1 = 39.0, r2 = 40.0, r3 = 80.0, r4 = 81.0, &end # 45 MET CHI1: (45 MET N)-(45 MET CA)-(45 MET CB)-(45 MET CG) -200.0 -160.0 &rst iat = 615, 617, 619, 622, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 45 MET PHI: (44 GLN C)-(45 MET N)-(45 MET CA)-(45 MET C) -100.0 -20.0 &rst iat = 613, 615, 617, 630, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 46 PHE CHI1: (46 PHE N)-(46 PHE CA)-(46 PHE CB)-(46 PHE CG) -80.0 -40.0 &rst iat = 632, 634, 636, 639, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 46 PHE PHI: (45 MET C)-(46 PHE N)-(46 PHE CA)-(46 PHE C) -100.0 -20.0 &rst iat = 630, 632, 634, 650, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 47 MET PHI: (46 PHE C)-(47 MET N)-(47 MET CA)-(47 MET C) -100.0 -20.0 &rst iat = 650, 652, 654, 667, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 49 PHE CHI1: (49 PHE N)-(49 PHE CA)-(49 PHE CB)-(49 PHE CG) -80.0 -40.0 &rst iat = 683, 685, 687, 690, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 49 PHE PHI: (48 PRO C)-(49 PHE N)-(49 PHE CA)-(49 PHE C) -140.0 -100.0 &rst iat = 681, 683, 685, 701, r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0, &end # 52 VAL CHI1: (52 VAL N)-(52 VAL CA)-(52 VAL CB)-(52 VAL CG1) -200.0 -160.0 &rst iat = 724, 726, 728, 730, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 53 VAL CHI1: (53 VAL N)-(53 VAL CA)-(53 VAL CB)-(53 VAL CG1) -200.0 -160.0 &rst iat = 740, 742, 744, 746, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 57 VAL CHI1: (57 VAL N)-(57 VAL CA)-(57 VAL CB)-(57 VAL CG1) -200.0 -160.0 &rst iat = 799, 801, 803, 805, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 65 LEU CHI1: (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) -80.0 -20.0 &rst iat = 933, 935, 937, 940, r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0, &end # 65 LEU CHI2: (65 LEU CA)-(65 LEU CB)-(65 LEU CG)-(65 LEU CD1) -200.0 -160.0 &rst iat = 935, 937, 940, 942, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 66 SER CHI1: (66 SER N)-(66 SER CA)-(66 SER CB)-(66 SER OG) -200.0 -160.0 &rst iat = 952, 954, 956, 959, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 67 LYS CHI1: (67 LYS N)-(67 LYS CA)-(67 LYS CB)-(67 LYS CG) -80.0 -40.0 &rst iat = 963, 965, 967, 970, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 69 PHE CHI1: (69 PHE N)-(69 PHE CA)-(69 PHE CB)-(69 PHE CG) 40.0 80.0 &rst iat = 996, 998, 1000, 1003, r1 = 39.0, r2 = 40.0, r3 = 80.0, r4 = 81.0, &end # 71 PHE CHI1: (71 PHE N)-(71 PHE CA)-(71 PHE CB)-(71 PHE CG) -80.0 -40.0 &rst iat = 1023, 1025, 1027, 1030, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 72 VAL CHI1: (72 VAL N)-(72 VAL CA)-(72 VAL CB)-(72 VAL CG1) -200.0 -160.0 &rst iat = 1043, 1045, 1047, 1049, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 74 TYR CHI1: (74 TYR N)-(74 TYR CA)-(74 TYR CB)-(74 TYR CG) -80.0 -40.0 &rst iat = 1070, 1072, 1074, 1077, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 78 VAL CHI1: (78 VAL N)-(78 VAL CA)-(78 VAL CB)-(78 VAL CG1) -200.0 -160.0 &rst iat = 1131, 1133, 1135, 1137, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 83 ALA PHI: (82 ALA C)-(83 ALA N)-(83 ALA CA)-(83 ALA C) -100.0 -20.0 &rst iat = 1193, 1195, 1197, 1203, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 84 ILE CHI1: (84 ILE N)-(84 ILE CA)-(84 ILE CB)-(84 ILE CG1) -80.0 -40.0 &rst iat = 1205, 1207, 1209, 1215, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 84 ILE CHI21: (84 ILE CA)-(84 ILE CB)-(84 ILE CG1)-(84 ILE CD1) -200.0 -160.0 &rst iat = 1207, 1209, 1215, 1218, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 85 GLN PHI: (84 ILE C)-(85 GLN N)-(85 GLN CA)-(85 GLN C) -100.0 -20.0 &rst iat = 1222, 1224, 1226, 1239, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 86 SER PHI: (85 GLN C)-(86 SER N)-(86 SER CA)-(86 SER C) -100.0 -20.0 &rst iat = 1239, 1241, 1243, 1250, r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0, &end # 90 PHE CHI1: (90 PHE N)-(90 PHE CA)-(90 PHE CB)-(90 PHE CG) -200.0 -160.0 &rst iat = 1290, 1292, 1294, 1297, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 91 GLN PHI: (90 PHE C)-(91 GLN N)-(91 GLN CA)-(91 GLN C) -180.0 0.0 &rst iat = 1308, 1310, 1312, 1325, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 92 ILE CHI1: (92 ILE N)-(92 ILE CA)-(92 ILE CB)-(92 ILE CG1) -200.0 -160.0 &rst iat = 1327, 1329, 1331, 1337, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 92 ILE CHI21: (92 ILE CA)-(92 ILE CB)-(92 ILE CG1)-(92 ILE CD1) -200.0 -160.0 &rst iat = 1329, 1331, 1337, 1340, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 93 GLY PHI: (92 ILE C)-(93 GLY N)-(93 GLY CA)-(93 GLY C) 20.0 90.0 &rst iat = 1344, 1346, 1348, 1351, r1 = 19.0, r2 = 20.0, r3 = 90.0, r4 = 91.0, &end # 94 MET PHI: (93 GLY C)-(94 MET N)-(94 MET CA)-(94 MET C) -180.0 0.0 &rst iat = 1351, 1353, 1355, 1368, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 97 LEU CHI1: (97 LEU N)-(97 LEU CA)-(97 LEU CB)-(97 LEU CG) -80.0 -40.0 &rst iat = 1416, 1418, 1420, 1423, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 97 LEU CHI2: (97 LEU CA)-(97 LEU CB)-(97 LEU CG)-(97 LEU CD1) -200.0 -160.0 &rst iat = 1418, 1420, 1423, 1425, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 99 VAL CHI1: (99 VAL N)-(99 VAL CA)-(99 VAL CB)-(99 VAL CG1) -200.0 -160.0 &rst iat = 1457, 1459, 1461, 1463, r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0, &end # 101 LEU CHI1: (101 LEU N)-(101 LEU CA)-(101 LEU CB)-(101 LEU CG) -80.0 -40.0 &rst iat = 1490, 1492, 1494, 1497, r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0, &end # 101 LEU CHI2: (101 LEU CA)-(101 LEU CB)-(101 LEU CG)-(101 LEU CD1) 160.0 180.0 &rst iat = 1492, 1494, 1497, 1499, r1 = 159.0, r2 = 160.0, r3 = 180.0, r4 = 181.0, &end # 102 LYS PHI: (101 LEU C)-(102 LYS N)-(102 LYS CA)-(102 LYS C) -180.0 0.0 &rst iat = 1507, 1509, 1511, 1529, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 103 ARG PHI: (102 LYS C)-(103 ARG N)-(103 ARG CA)-(103 ARG C) -180.0 0.0 &rst iat = 1529, 1531, 1533, 1553, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 104 SER PHI: (103 ARG C)-(104 SER N)-(104 SER CA)-(104 SER C) -180.0 0.0 &rst iat = 1553, 1555, 1557, 1564, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 105 LYS PHI: (104 SER C)-(105 LYS N)-(105 LYS CA)-(105 LYS C) -180.0 0.0 &rst iat = 1564, 1566, 1568, 1586, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 106 ASN PHI: (105 LYS C)-(106 ASN N)-(106 ASN CA)-(106 ASN C) -180.0 0.0 &rst iat = 1586, 1588, 1590, 1600, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 107 ASP PHI: (106 ASN C)-(107 ASP N)-(107 ASP CA)-(107 ASP C) -180.0 0.0 &rst iat = 1600, 1602, 1604, 1612, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 108 SER PHI: (107 ASP C)-(108 SER N)-(108 SER CA)-(108 SER C) -180.0 0.0 &rst iat = 1612, 1614, 1616, 1623, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 109 LYS PHI: (108 SER C)-(109 LYS N)-(109 LYS CA)-(109 LYS C) -180.0 0.0 &rst iat = 1623, 1625, 1627, 1645, r1 = -181.0, r2 = -180.0, r3 = 0.0, r4 = 1.0, &end # 116 RU CHI: (116 RU5 O4')-(116 RU5 C1')-(116 RU5 N1)-(116 RU5 C2) 120.0 300.0 &rst iat = 1716, 1717, 1719, 1728, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, rk2 = 100.0, rk3 = 100.0, &end # 116 RU NU0: (116 RU5 C4')-(116 RU5 O4')-(116 RU5 C1')-(116 RU5 C2') -43.2 -13.2 &rst iat = 1714, 1716, 1717, 1732, r1 = -44.2, r2 = -43.2, r3 = -13.2, r4 = -12.2, &end # 116 RU NU1: (116 RU5 O4')-(116 RU5 C1')-(116 RU5 C2')-(116 RU5 C3') 22.8 52.8 &rst iat = 1716, 1717, 1732, 1730, r1 = 21.8, r2 = 22.8, r3 = 52.8, r4 = 53.8, &end # 116 RU NU2: (116 RU5 C1')-(116 RU5 C2')-(116 RU5 C3')-(116 RU5 C4') -47.8 -17.8 &rst iat = 1717, 1732, 1730, 1714, r1 = -48.8, r2 = -47.8, r3 = -17.8, r4 = -16.8, &end # 116 RU NU3: (116 RU5 C2')-(116 RU5 C3')-(116 RU5 C4')-(116 RU5 O4') 0.4 30.4 &rst iat = 1732, 1730, 1714, 1716, r1 = -0.6, r2 = 0.4, r3 = 30.4, r4 = 31.4, &end # 116 RU NU4: (116 RU5 C3')-(116 RU5 C4')-(116 RU5 O4')-(116 RU5 C1') -7.1 22.9 &rst iat = 1730, 1714, 1716, 1717, r1 = -8.1, r2 = -7.1, r3 = 22.9, r4 = 23.9, &end # 117 RG CHI: (117 RG O4')-(117 RG C1')-(117 RG N9)-(117 RG C4) -60.0 120.0 &rst iat = 1746, 1747, 1749, 1763, r1 = -61.0, r2 = -60.0, r3 = 120.0, r4 = 121.0, &end # 118 RU CHI: (118 RU O4')-(118 RU C1')-(118 RU N1)-(118 RU C2) 120.0 300.0 &rst iat = 1780, 1781, 1783, 1792, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 118 RU NU0: (118 RU C4')-(118 RU O4')-(118 RU C1')-(118 RU C2') -43.2 -13.2 &rst iat = 1778, 1780, 1781, 1796, r1 = -44.2, r2 = -43.2, r3 = -13.2, r4 = -12.2, &end # 118 RU NU1: (118 RU O4')-(118 RU C1')-(118 RU C2')-(118 RU C3') 22.8 52.8 &rst iat = 1780, 1781, 1796, 1794, r1 = 21.8, r2 = 22.8, r3 = 52.8, r4 = 53.8, &end # 118 RU NU2: (118 RU C1')-(118 RU C2')-(118 RU C3')-(118 RU C4') -47.8 -17.8 &rst iat = 1781, 1796, 1794, 1778, r1 = -48.8, r2 = -47.8, r3 = -17.8, r4 = -16.8, &end # 118 RU NU3: (118 RU C2')-(118 RU C3')-(118 RU C4')-(118 RU O4') 0.4 30.4 &rst iat = 1796, 1794, 1778, 1780, r1 = -0.6, r2 = 0.4, r3 = 30.4, r4 = 31.4, &end # 118 RU NU4: (118 RU C3')-(118 RU C4')-(118 RU O4')-(118 RU C1') -7.1 22.9 &rst iat = 1794, 1778, 1780, 1781, r1 = -8.1, r2 = -7.1, r3 = 22.9, r4 = 23.9, &end # 119 RG CHI: (119 RG O4')-(119 RG C1')-(119 RG N9)-(119 RG C4) 120.0 300.0 &rst iat = 1810, 1811, 1813, 1827, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 119 RG NU0: (119 RG C4')-(119 RG O4')-(119 RG C1')-(119 RG C2') -16.3 13.7 &rst iat = 1808, 1810, 1811, 1830, r1 = -17.3, r2 = -16.3, r3 = 13.7, r4 = 14.7, &end # 119 RG NU1: (119 RG O4')-(119 RG C1')-(119 RG C2')-(119 RG C3') -35.2 -5.2 &rst iat = 1810, 1811, 1830, 1828, r1 = -36.2, r2 = -35.2, r3 = -5.2, r4 = -4.2, &end # 119 RG NU2: (119 RG C1')-(119 RG C2')-(119 RG C3')-(119 RG C4') 19.0 49.0 &rst iat = 1811, 1830, 1828, 1808, r1 = 18.0, r2 = 19.0, r3 = 49.0, r4 = 50.0, &end # 119 RG NU3: (119 RG C2')-(119 RG C3')-(119 RG C4')-(119 RG O4') -49.8 -19.8 &rst iat = 1830, 1828, 1808, 1810, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 119 RG NU4: (119 RG C3')-(119 RG C4')-(119 RG O4')-(119 RG C1') 7.3 37.3 &rst iat = 1828, 1808, 1810, 1811, r1 = 6.3, r2 = 7.3, r3 = 37.3, r4 = 38.3, &end # 120 RU CHI: (120 RU O4')-(120 RU C1')-(120 RU N1)-(120 RU C2) 120.0 300.0 &rst iat = 1844, 1845, 1847, 1856, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 120 RU NU0: (120 RU C4')-(120 RU O4')-(120 RU C1')-(120 RU C2') -43.2 -13.2 &rst iat = 1842, 1844, 1845, 1860, r1 = -44.2, r2 = -43.2, r3 = -13.2, r4 = -12.2, &end # 120 RU NU1: (120 RU O4')-(120 RU C1')-(120 RU C2')-(120 RU C3') 22.8 52.8 &rst iat = 1844, 1845, 1860, 1858, r1 = 21.8, r2 = 22.8, r3 = 52.8, r4 = 53.8, &end # 120 RU NU2: (120 RU C1')-(120 RU C2')-(120 RU C3')-(120 RU C4') -47.8 -17.8 &rst iat = 1845, 1860, 1858, 1842, r1 = -48.8, r2 = -47.8, r3 = -17.8, r4 = -16.8, &end # 120 RU NU3: (120 RU C2')-(120 RU C3')-(120 RU C4')-(120 RU O4') 0.4 30.4 &rst iat = 1860, 1858, 1842, 1844, r1 = -0.6, r2 = 0.4, r3 = 30.4, r4 = 31.4, &end # 120 RU NU4: (120 RU C3')-(120 RU C4')-(120 RU O4')-(120 RU C1') -7.1 22.9 &rst iat = 1858, 1842, 1844, 1845, r1 = -8.1, r2 = -7.1, r3 = 22.9, r4 = 23.9, &end # 121 RG CHI: (121 RG3 O4')-(121 RG3 C1')-(121 RG3 N9)-(121 RG3 C4) 120.0 300.0 &rst iat = 1874, 1875, 1877, 1891, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end
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