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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607658 |
2n5p   |
25724 | cing | 1-original | 5 | AMBER | dihedral angle |
#EPSILON RESTRAINTS #measured epsilon torsion angles from CTNOESY #the following were used as inputs for makeANG # 1 ADE EPSILN 183.0 203.0 # 2 THY EPSILN 183.4 203.4 # 3 GUA EPSILN 179.9 199.9 # 4 GUA EPSILN 178.8 198.8 # 5 ADE EPSILN 175.8 195.8 (note below) # 6 GUA EPSILN 179.1 199.1 # 7 CYT EPSILN 182.8 202.8 # 8 THY EPSILN 181.3 201.3 #10 GUA EPSILN 181.6 201.6 #11 ADE EPSILN 175.9 195.9 (note below) #12 GUA EPSILN 178.2 198.2 #13 CYT EPSILN 180.8 200.8 #14 THY EPSILN 175.0 195.0 #15 CYT EPSILN 181.4 201.4 #16 CYT EPSILN 182.2 202.2 #17 ADE EPSILN 178.2 198.2 # #note, A5 and A11 epsilon values had few data points from #CTNOESY. Well widths opened up for those two. # #Epsilon restraints: # 1 ADE EPSILN: (1 DA5 C4')-(1 DA5 C3')-(1 DA5 O3')-(2 DT P) 183.0 203.0 &rst iat = 6, 25, 30, 31, r1 = 182.0, r2 = 183.0, r3 = 203.0, r4 = 204.0, rk2 = 50.0, rk3 = 50.0, &end # 2 THY EPSILN: (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DG P) 183.4 203.4 &rst iat = 38, 57, 62, 63, r1 = 182.4, r2 = 183.4, r3 = 203.4, r4 = 204.4, rk2 = 50.0, rk3 = 50.0, &end # 3 GUA EPSILN: (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DG P) 179.9 199.9 &rst iat = 70, 90, 95, 96, r1 = 178.9, r2 = 179.9, r3 = 199.9, r4 = 200.9, rk2 = 50.0, rk3 = 50.0, &end # 4 GUA EPSILN: (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DA P) 178.8 198.8 &rst iat = 103, 123, 128, 129, r1 = 177.8, r2 = 178.8, r3 = 198.8, r4 = 199.8, rk2 = 100.0, rk3 = 100.0, &end # 5 ADE EPSILN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 175.8 195.8 &rst iat = 136, 155, 160, 161, r1 = 174.8, r2 = 175.8, r3 = 195.8, r4 = 196.8, rk2 = 50.0, rk3 = 50.0, &end # 6 GUA EPSILN: (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DC P) 179.1 199.1 &rst iat = 168, 188, 193, 194, r1 = 178.1, r2 = 179.1, r3 = 199.1, r4 = 200.1, rk2 = 50.0, rk3 = 50.0, &end # 7 CYT EPSILN: (7 DC C4')-(7 DC C3')-(7 DC O3')-(8 DT P) 182.8 202.8 &rst iat = 201, 218, 223, 224, r1 = 181.8, r2 = 182.8, r3 = 202.8, r4 = 203.8, rk2 = 50.0, rk3 = 50.0, &end # 8 THY EPSILN: (8 DT C4')-(8 DT C3')-(8 DT O3')-(9 DC3 P) 181.3 201.3 &rst iat = 231, 250, 255, 256, r1 = 180.3, r2 = 181.3, r3 = 201.3, r4 = 202.3, rk2 = 50.0, rk3 = 50.0, &end # 10 GUA EPSILN: (10 DG5 C4')-(10 DG5 C3')-(10 DG5 O3')-(11 DA P) 181.6 201.6 &rst iat = 292, 312, 317, 318, r1 = 180.6, r2 = 181.6, r3 = 201.6, r4 = 202.6, rk2 = 50.0, rk3 = 50.0, &end # 11 ADE EPSILN: (11 DA C4')-(11 DA C3')-(11 DA O3')-(12 DG P) 175.9 195.9 &rst iat = 325, 344, 349, 350, r1 = 164.9, r2 = 165.9, r3 = 205.9, r4 = 206.9, rk2 = 50.0, rk3 = 50.0, &end # 12 GUA EPSILN: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DC P) 178.2 198.2 &rst iat = 357, 377, 382, 383, r1 = 177.2, r2 = 178.2, r3 = 198.2, r4 = 199.2, rk2 = 50.0, rk3 = 50.0, &end # 13 CYT EPSILN: (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DT P) 180.8 200.8 &rst iat = 390, 407, 412, 413, r1 = 179.8, r2 = 180.8, r3 = 200.8, r4 = 201.8, rk2 = 50.0, rk3 = 50.0, &end # 14 THY EPSILN: (14 DT C4')-(14 DT C3')-(14 DT O3')-(15 DC P) 175.0 195.0 &rst iat = 420, 439, 444, 445, r1 = 174.0, r2 = 175.0, r3 = 195.0, r4 = 196.0, rk2 = 50.0, rk3 = 50.0, &end # 15 CYT EPSILN: (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 181.4 201.4 &rst iat = 452, 469, 474, 475, r1 = 180.4, r2 = 181.4, r3 = 201.4, r4 = 202.4, rk2 = 50.0, rk3 = 50.0, &end # 16 CYT EPSILN: (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DA P) 182.2 202.2 &rst iat = 482, 499, 504, 505, r1 = 181.2, r2 = 182.2, r3 = 202.2, r4 = 203.2, rk2 = 50.0, rk3 = 50.0, &end # 17 ADE EPSILN: (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DT3 P) 178.2 198.2 &rst iat = 512, 531, 536, 537, r1 = 177.2, r2 = 178.2, r3 = 198.2, r4 = 199.2, rk2 = 50.0, rk3 = 50.0, &end
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