NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4481 | 1f7h | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
{Keep G amino groups in the plane of the base} assign (residue 1 and name h22)(residue 1 and name n2) (residue 1 and name c2)(residue 1 and name n3) 10 0 5 2 assign (residue 2 and name h22)(residue 2 and name n2) (residue 2 and name c2)(residue 2 and name n3) 10 0 5 2 assign (residue 5 and name h22)(residue 5 and name n2) (residue 5 and name c2)(residue 5 and name n3) 10 0 5 2 assign (residue 9 and name h22)(residue 9 and name n2) (residue 9 and name c2)(residue 9 and name n3) 10 0 5 2 assign (residue 10 and name h22)(residue 10 and name n2) (residue 10 and name c2)(residue 10 and name n3) 10 0 5 2 assign (residue 16 and name h22)(residue 16 and name n2) (residue 16 and name c2)(residue 16 and name n3) 10 0 5 2 assign (residue 17 and name h22)(residue 17 and name n2) (residue 17 and name c2)(residue 17 and name n3) 10 0 5 2 assign (residue 21 and name h22)(residue 21 and name n2) (residue 21 and name c2)(residue 21 and name n3) 10 0 5 2 assign (residue 22 and name h22)(residue 22 and name n2) (residue 22 and name c2)(residue 22 and name n3) 10 0 5 2 {Keep C amino groups in the plane of the base} assign (residue 7 and name h42)(residue 7 and name n4) (residue 7 and name c4)(residue 7 and name c5) 10 0 5 2 assign (residue 8 and name h42)(residue 8 and name n4) (residue 8 and name c4)(residue 8 and name c5) 10 0 5 2 assign (residue 12 and name h42)(residue 12 and name n4) (residue 12 and name c4)(residue 12 and name c5) 10 0 5 2 assign (residue 15 and name h42)(residue 15 and name n4) (residue 15 and name c4)(residue 15 and name c5) 10 0 5 2 assign (residue 19 and name h42)(residue 19 and name n4) (residue 19 and name c4)(residue 19 and name c5) 10 0 5 2 assign (residue 20 and name h42)(residue 20 and name n4) (residue 20 and name c4)(residue 20 and name c5) 10 0 5 2 assign (residue 23 and name h42)(residue 23 and name n4) (residue 23 and name c4)(residue 23 and name c5) 10 0 5 2 assign (residue 26 and name h42)(residue 26 and name n4) (residue 26 and name c4)(residue 26 and name c5) 10 0 5 2 assign (residue 27 and name h42)(residue 27 and name n4) (residue 27 and name c4)(residue 27 and name c5) 10 0 5 2 {Keep A amino groups in the plane of the base} assign (residue 3 and name h62)(residue 3 and name n6) (residue 3 and name c6)(residue 3 and name c5) 10 0 5 2 assign (residue 4 and name h62)(residue 4 and name n6) (residue 4 and name c6)(residue 4 and name c5) 10 0 5 2 assign (residue 18 and name h62)(residue 18 and name n6) (residue 18 and name c6)(residue 18 and name c5) 10 0 5 2 { ribose pucker constraints } {Make some nucleotides c3'-endo based on 2JH1'H2''} {modified to restrain v0, v1,v2, and v3 instead of delta} assign (residue 1 and name c4')(residue 1 and name o4') (residue 1 and name c1')(residue 1 and name c2') 2 0 5 2 assign (residue 1 and name o4')(residue 1 and name c1') (residue 1 and name c2')(residue 1 and name c3') 2 -22 5 2 assign (residue 1 and name c1')(residue 1 and name c2') (residue 1 and name c3')(residue 1 and name c4') 2 36 5 2 assign (residue 1 and name c2')(residue 1 and name c3') (residue 1 and name c4')(residue 1 and name o4') 2 -36 5 2 assign (residue 2 and name c4')(residue 2 and name o4') (residue 2 and name c1')(residue 2 and name c2') 2 0 5 2 assign (residue 2 and name o4')(residue 2 and name c1') (residue 2 and name c2')(residue 2 and name c3') 2 -22 5 2 assign (residue 2 and name c1')(residue 2 and name c2') (residue 2 and name c3')(residue 2 and name c4') 2 36 5 2 assign (residue 2 and name c2')(residue 2 and name c3') (residue 2 and name c4')(residue 2 and name o4') 2 -36 5 2 assign (residue 3 and name c4')(residue 3 and name o4') (residue 3 and name c1')(residue 3 and name c2') 2 0 5 2 assign (residue 3 and name o4')(residue 3 and name c1') (residue 3 and name c2')(residue 3 and name c3') 2 -22 5 2 assign (residue 3 and name c1')(residue 3 and name c2') (residue 3 and name c3')(residue 3 and name c4') 2 36 5 2 assign (residue 3 and name c2')(residue 3 and name c3') (residue 3 and name c4')(residue 3 and name o4') 2 -36 5 2 assign (residue 4 and name c4')(residue 4 and name o4') (residue 4 and name c1')(residue 4 and name c2') 2 0 5 2 assign (residue 4 and name o4')(residue 4 and name c1') (residue 4 and name c2')(residue 4 and name c3') 2 -22 5 2 assign (residue 4 and name c1')(residue 4 and name c2') (residue 4 and name c3')(residue 4 and name c4') 2 36 5 2 assign (residue 4 and name c2')(residue 4 and name c3') (residue 4 and name c4')(residue 4 and name o4') 2 -36 5 2 assign (residue 7 and name c4')(residue 7 and name o4') (residue 7 and name c1')(residue 7 and name c2') 2 0 5 2 assign (residue 7 and name o4')(residue 7 and name c1') (residue 7 and name c2')(residue 7 and name c3') 2 -22 5 2 assign (residue 7 and name c1')(residue 7 and name c2') (residue 7 and name c3')(residue 7 and name c4') 2 36 5 2 assign (residue 7 and name c2')(residue 7 and name c3') (residue 7 and name c4')(residue 7 and name o4') 2 -36 5 2 assign (residue 8 and name c4')(residue 8 and name o4') (residue 8 and name c1')(residue 8 and name c2') 2 0 5 2 assign (residue 8 and name o4')(residue 8 and name c1') (residue 8 and name c2')(residue 8 and name c3') 2 -22 5 2 assign (residue 8 and name c1')(residue 8 and name c2') (residue 8 and name c3')(residue 8 and name c4') 2 36 5 2 assign (residue 8 and name c2')(residue 8 and name c3') (residue 8 and name c4')(residue 8 and name o4') 2 -36 5 2 assign (residue 9 and name c4')(residue 9 and name o4') (residue 9 and name c1')(residue 9 and name c2') 2 0 5 2 assign (residue 9 and name o4')(residue 9 and name c1') (residue 9 and name c2')(residue 9 and name c3') 2 -22 5 2 assign (residue 9 and name c1')(residue 9 and name c2') (residue 9 and name c3')(residue 9 and name c4') 2 36 5 2 assign (residue 9 and name c2')(residue 9 and name c3') (residue 9 and name c4')(residue 9 and name o4') 2 -36 5 2 assign (residue 10 and name c4')(residue 10 and name o4') (residue 10 and name c1')(residue 10 and name c2') 2 0 5 2 assign (residue 10 and name o4')(residue 10 and name c1') (residue 10 and name c2')(residue 10 and name c3') 2 -22 5 2 assign (residue 10 and name c1')(residue 10 and name c2') (residue 10 and name c3')(residue 10 and name c4') 2 36 5 2 assign (residue 10 and name c2')(residue 10 and name c3') (residue 10 and name c4')(residue 10 and name o4') 2 -36 5 2 assign (residue 11 and name c4')(residue 11 and name o4') (residue 11 and name c1')(residue 11 and name c2') 2 0 5 2 assign (residue 11 and name o4')(residue 11 and name c1') (residue 11 and name c2')(residue 11 and name c3') 2 -22 5 2 assign (residue 11 and name c1')(residue 11 and name c2') (residue 11 and name c3')(residue 11 and name c4') 2 36 5 2 assign (residue 11 and name c2')(residue 11 and name c3') (residue 11 and name c4')(residue 11 and name o4') 2 -36 5 2 assign (residue 12 and name c4')(residue 12 and name o4') (residue 12 and name c1')(residue 12 and name c2') 2 0 5 2 assign (residue 12 and name o4')(residue 12 and name c1') (residue 12 and name c2')(residue 12 and name c3') 2 -22 5 2 assign (residue 12 and name c1')(residue 12 and name c2') (residue 12 and name c3')(residue 12 and name c4') 2 36 5 2 assign (residue 12 and name c2')(residue 12 and name c3') (residue 12 and name c4')(residue 12 and name o4') 2 -36 5 2 assign (residue 13 and name c4')(residue 13 and name o4') (residue 13 and name c1')(residue 13 and name c2') 2 0 5 2 assign (residue 13 and name o4')(residue 13 and name c1') (residue 13 and name c2')(residue 13 and name c3') 2 -22 5 2 assign (residue 13 and name c1')(residue 13 and name c2') (residue 13 and name c3')(residue 13 and name c4') 2 36 5 2 assign (residue 13 and name c2')(residue 13 and name c3') (residue 13 and name c4')(residue 13 and name o4') 2 -36 5 2 assign (residue 16 and name c4')(residue 16 and name o4') (residue 16 and name c1')(residue 16 and name c2') 2 0 5 2 assign (residue 16 and name o4')(residue 16 and name c1') (residue 16 and name c2')(residue 16 and name c3') 2 -22 5 2 assign (residue 16 and name c1')(residue 16 and name c2') (residue 16 and name c3')(residue 16 and name c4') 2 36 5 2 assign (residue 16 and name c2')(residue 16 and name c3') (residue 16 and name c4')(residue 16 and name o4') 2 -36 5 2 assign (residue 17 and name c4')(residue 17 and name o4') (residue 17 and name c1')(residue 17 and name c2') 2 0 5 2 assign (residue 17 and name o4')(residue 17 and name c1') (residue 17 and name c2')(residue 17 and name c3') 2 -22 5 2 assign (residue 17 and name c1')(residue 17 and name c2') (residue 17 and name c3')(residue 17 and name c4') 2 36 5 2 assign (residue 17 and name c2')(residue 17 and name c3') (residue 17 and name c4')(residue 17 and name o4') 2 -36 5 2 assign (residue 18 and name c4')(residue 18 and name o4') (residue 18 and name c1')(residue 18 and name c2') 2 0 5 2 assign (residue 18 and name o4')(residue 18 and name c1') (residue 18 and name c2')(residue 18 and name c3') 2 -22 5 2 assign (residue 18 and name c1')(residue 18 and name c2') (residue 18 and name c3')(residue 18 and name c4') 2 36 5 2 assign (residue 18 and name c2')(residue 18 and name c3') (residue 18 and name c4')(residue 18 and name o4') 2 -36 5 2 assign (residue 19 and name c4')(residue 19 and name o4') (residue 19 and name c1')(residue 19 and name c2') 2 0 5 2 assign (residue 19 and name o4')(residue 19 and name c1') (residue 19 and name c2')(residue 19 and name c3') 2 -22 5 2 assign (residue 19 and name c1')(residue 19 and name c2') (residue 19 and name c3')(residue 19 and name c4') 2 36 5 2 assign (residue 19 and name c2')(residue 19 and name c3') (residue 19 and name c4')(residue 19 and name o4') 2 -36 5 2 assign (residue 20 and name c4')(residue 20 and name o4') (residue 20 and name c1')(residue 20 and name c2') 2 0 5 2 assign (residue 20 and name o4')(residue 20 and name c1') (residue 20 and name c2')(residue 20 and name c3') 2 -22 5 2 assign (residue 20 and name c1')(residue 20 and name c2') (residue 20 and name c3')(residue 20 and name c4') 2 36 5 2 assign (residue 20 and name c2')(residue 20 and name c3') (residue 20 and name c4')(residue 20 and name o4') 2 -36 5 2 assign (residue 21 and name c4')(residue 21 and name o4') (residue 21 and name c1')(residue 21 and name c2') 2 0 5 2 assign (residue 21 and name o4')(residue 21 and name c1') (residue 21 and name c2')(residue 21 and name c3') 2 -22 5 2 assign (residue 21 and name c1')(residue 21 and name c2') (residue 21 and name c3')(residue 21 and name c4') 2 36 5 2 assign (residue 21 and name c2')(residue 21 and name c3') (residue 21 and name c4')(residue 21 and name o4') 2 -36 5 2 assign (residue 22 and name c4')(residue 22 and name o4') (residue 22 and name c1')(residue 22 and name c2') 2 0 5 2 assign (residue 22 and name o4')(residue 22 and name c1') (residue 22 and name c2')(residue 22 and name c3') 2 -22 5 2 assign (residue 22 and name c1')(residue 22 and name c2') (residue 22 and name c3')(residue 22 and name c4') 2 36 5 2 assign (residue 22 and name c2')(residue 22 and name c3') (residue 22 and name c4')(residue 22 and name o4') 2 -36 5 2 assign (residue 23 and name c4')(residue 23 and name o4') (residue 23 and name c1')(residue 23 and name c2') 2 0 5 2 assign (residue 23 and name o4')(residue 23 and name c1') (residue 23 and name c2')(residue 23 and name c3') 2 -22 5 2 assign (residue 23 and name c1')(residue 23 and name c2') (residue 23 and name c3')(residue 23 and name c4') 2 36 5 2 assign (residue 23 and name c2')(residue 23 and name c3') (residue 23 and name c4')(residue 23 and name o4') 2 -36 5 2 assign (residue 24 and name c4')(residue 24 and name o4') (residue 24 and name c1')(residue 24 and name c2') 2 0 5 2 assign (residue 24 and name o4')(residue 24 and name c1') (residue 24 and name c2')(residue 24 and name c3') 2 -22 5 2 assign (residue 24 and name c1')(residue 24 and name c2') (residue 24 and name c3')(residue 24 and name c4') 2 36 5 2 assign (residue 24 and name c2')(residue 24 and name c3') (residue 24 and name c4')(residue 24 and name o4') 2 -36 5 2 assign (residue 25 and name c4')(residue 25 and name o4') (residue 25 and name c1')(residue 25 and name c2') 2 0 5 2 assign (residue 25 and name o4')(residue 25 and name c1') (residue 25 and name c2')(residue 25 and name c3') 2 -22 5 2 assign (residue 25 and name c1')(residue 25 and name c2') (residue 25 and name c3')(residue 25 and name c4') 2 36 5 2 assign (residue 25 and name c2')(residue 25 and name c3') (residue 25 and name c4')(residue 25 and name o4') 2 -36 5 2 assign (residue 26 and name c4')(residue 26 and name o4') (residue 26 and name c1')(residue 26 and name c2') 2 0 5 2 assign (residue 26 and name o4')(residue 26 and name c1') (residue 26 and name c2')(residue 26 and name c3') 2 -22 5 2 assign (residue 26 and name c1')(residue 26 and name c2') (residue 26 and name c3')(residue 26 and name c4') 2 36 5 2 assign (residue 26 and name c2')(residue 26 and name c3') (residue 26 and name c4')(residue 26 and name o4') 2 -36 5 2 assign (residue 27 and name c4')(residue 27 and name o4') (residue 27 and name c1')(residue 27 and name c2') 2 0 5 2 assign (residue 27 and name o4')(residue 27 and name c1') (residue 27 and name c2')(residue 27 and name c3') 2 -22 5 2 assign (residue 27 and name c1')(residue 27 and name c2') (residue 27 and name c3')(residue 27 and name c4') 2 36 5 2 assign (residue 27 and name c2')(residue 27 and name c3') (residue 27 and name c4')(residue 27 and name o4') 2 -36 5 2 {restrain some nucleotides to be c2'-endo or in between, based on 2JH1'H2''} {in between} assign (residue 5 and name c4')(residue 5 and name o4') (residue 5 and name c1')(residue 5 and name c2') 2 -20 20 2 assign (residue 5 and name o4')(residue 5 and name c1') (residue 5 and name c2')(residue 5 and name c3') 2 15 25 2 assign (residue 5 and name c1')(residue 5 and name c2') (residue 5 and name c3')(residue 5 and name c4') 2 0 35 2 assign (residue 5 and name c2')(residue 5 and name c3') (residue 5 and name c4')(residue 5 and name o4') 2 0 40 2 assign (residue 6 and name c4')(residue 6 and name o4') (residue 6 and name c1')(residue 6 and name c2') 2 -20 20 2 assign (residue 6 and name o4')(residue 6 and name c1') (residue 6 and name c2')(residue 6 and name c3') 2 15 25 2 assign (residue 6 and name c1')(residue 6 and name c2') (residue 6 and name c3')(residue 6 and name c4') 2 0 35 2 assign (residue 6 and name c2')(residue 6 and name c3') (residue 6 and name c4')(residue 6 and name o4') 2 0 40 2 {c2'-endo} assign (residue 14 and name c4')(residue 14 and name o4') (residue 14 and name c1')(residue 14 and name c2') 2 -18 5 2 assign (residue 14 and name o4')(residue 14 and name c1') (residue 14 and name c2')(residue 14 and name c3') 2 34 5 2 assign (residue 14 and name c1')(residue 14 and name c2') (residue 14 and name c3')(residue 14 and name c4') 2 -37 5 2 assign (residue 14 and name c2')(residue 14 and name c3') (residue 14 and name c4')(residue 14 and name o4') 2 26 5 2 assign (residue 15 and name c4')(residue 15 and name o4') (residue 15 and name c1')(residue 15 and name c2') 2 -18 5 2 assign (residue 15 and name o4')(residue 15 and name c1') (residue 15 and name c2')(residue 15 and name c3') 2 34 5 2 assign (residue 15 and name c1')(residue 15 and name c2') (residue 15 and name c3')(residue 15 and name c4') 2 -37 5 2 assign (residue 15 and name c2')(residue 15 and name c3') (residue 15 and name c4')(residue 15 and name o4') 2 26 5 2 { base chi angle constraints } {restrain some nucleotides to keep purine bases anti} assign (residue 1 and name o4')(residue 1 and name c1') (residue 1 and name n9)(residue 1 and name c4) 2 -110 70 2 assign (residue 2 and name o4')(residue 2 and name c1') (residue 2 and name n9)(residue 2 and name c4) 2 -110 70 2 assign (residue 3 and name o4')(residue 3 and name c1') (residue 3 and name n9)(residue 3 and name c4) 2 -110 70 2 assign (residue 4 and name o4')(residue 4 and name c1') (residue 4 and name n9)(residue 4 and name c4) 2 -110 70 2 { G5: not sure about this one } assign (residue 5 and name o4')(residue 5 and name c1') (residue 5 and name n9)(residue 5 and name c4) 2 -110 70 2 assign (residue 9 and name o4')(residue 9 and name c1') (residue 9 and name n9)(residue 9 and name c4) 2 -110 70 2 assign (residue 10 and name o4')(residue 10 and name c1') (residue 10 and name n9)(residue 10 and name c4) 2 -110 70 2 { G16: syn! } assign (residue 17 and name o4')(residue 17 and name c1') (residue 17 and name n9)(residue 17 and name c4) 2 -110 70 2 assign (residue 18 and name o4')(residue 18 and name c1') (residue 18 and name n9)(residue 18 and name c4) 2 -110 70 2 assign (residue 21 and name o4')(residue 21 and name c1') (residue 21 and name n9)(residue 21 and name c4) 2 -110 70 2 assign (residue 22 and name o4')(residue 22 and name c1') (residue 22 and name n9)(residue 22 and name c4) 2 -110 70 2 {restrain some nucleotides to keep pyrimidine bases anti} assign (residue 7 and name o4')(residue 7 and name c1') (residue 7 and name n1)(residue 7 and name c2) 2 -110 70 2 assign (residue 8 and name o4')(residue 8 and name c1') (residue 8 and name n1)(residue 8 and name c2) 2 -110 70 2 assign (residue 11 and name o4')(residue 11 and name c1') (residue 11 and name n1)(residue 11 and name c2) 2 -110 70 2 assign (residue 12 and name o4')(residue 12 and name c1') (residue 12 and name n1)(residue 12 and name c2) 2 -110 70 2 assign (residue 13 and name o4')(residue 13 and name c1') (residue 13 and name n1)(residue 13 and name c2) 2 -110 70 2 { loop nucleotides UC in U(UC)G not constrained } assign (residue 19 and name o4')(residue 19 and name c1') (residue 19 and name n1)(residue 19 and name c2) 2 -110 70 2 assign (residue 20 and name o4')(residue 20 and name c1') (residue 20 and name n1)(residue 20 and name c2) 2 -110 70 2 assign (residue 23 and name o4')(residue 23 and name c1') (residue 23 and name n1)(residue 23 and name c2) 2 -110 70 2 assign (residue 24 and name o4')(residue 24 and name c1') (residue 24 and name n1)(residue 24 and name c2) 2 -110 70 2 assign (residue 25 and name o4')(residue 25 and name c1') (residue 25 and name n1)(residue 25 and name c2) 2 -110 70 2 assign (residue 26 and name o4')(residue 26 and name c1') (residue 26 and name n1)(residue 26 and name c2) 2 -110 70 2 assign (residue 27 and name o4')(residue 27 and name c1') (residue 27 and name n1)(residue 27 and name c2) 2 -110 70 2 { constrain G16 to syn based on strong H8H1' cross peak } assign (residue 16 and name o4')(residue 16 and name c1') (residue 16 and name n9)(residue 16 and name c4) 2 70 70 2 { phosphate backbone torsion angle constraints } { these constraints were used only during the refinement stage } { torsions beta through epsilon are used in a first high temperature } { dynamics stage, torsions alpha and zeta are added in for a second } { high temperature dynamics stage and final cooling } {backbone torsion angle beta} {used in refinement only} assign (residue 2 and name p)(residue 2 and name o5') (residue 2 and name c5')(residue 2 and name c4') 2 180 30 2 assign (residue 3 and name p)(residue 3 and name o5') (residue 3 and name c5')(residue 3 and name c4') 2 180 30 2 assign (residue 4 and name p)(residue 4 and name o5') (residue 4 and name c5')(residue 4 and name c4') 2 180 30 2 { G5: perhaps not 100% A-form, not constrained to be safe } { U6,C7: 3JPH5'/H5'' observed, non-trans } assign (residue 6 and name p)(residue 6 and name o5') (residue 6 and name c5')(residue 6 and name c4') 2 0 110 2 assign (residue 7 and name p)(residue 7 and name o5') (residue 7 and name c5')(residue 7 and name c4') 2 0 110 2 assign (residue 8 and name p)(residue 8 and name o5') (residue 8 and name c5')(residue 8 and name c4') 2 180 30 2 assign (residue 9 and name p)(residue 9 and name o5') (residue 9 and name c5')(residue 9 and name c4') 2 180 30 2 assign (residue 10 and name p)(residue 10 and name o5') (residue 10 and name c5')(residue 10 and name c4') 2 180 30 2 assign (residue 11 and name p)(residue 11 and name o5') (residue 11 and name c5')(residue 11 and name c4') 2 180 30 2 { C12-G16: C(UUCG) tetraloop, not constrained } { weak 3JPH5'/H5'' for G16, 3JPH4' for C15; C13,U13 probably trans } { G17: strong 3JPH5'/H5'', non-trans } assign (residue 17 and name p)(residue 17 and name o5') (residue 17 and name c5')(residue 17 and name c4') 2 0 110 2 assign (residue 18 and name p)(residue 18 and name o5') (residue 18 and name c5')(residue 18 and name c4') 2 180 30 2 assign (residue 19 and name p)(residue 19 and name o5') (residue 19 and name c5')(residue 19 and name c4') 2 180 30 2 assign (residue 20 and name p)(residue 20 and name o5') (residue 20 and name c5')(residue 20 and name c4') 2 180 30 2 assign (residue 21 and name p)(residue 21 and name o5') (residue 21 and name c5')(residue 21 and name c4') 2 180 30 2 assign (residue 22 and name p)(residue 22 and name o5') (residue 22 and name c5')(residue 22 and name c4') 2 180 30 2 assign (residue 23 and name p)(residue 23 and name o5') (residue 23 and name c5')(residue 23 and name c4') 2 180 30 2 assign (residue 24 and name p)(residue 24 and name o5') (residue 24 and name c5')(residue 24 and name c4') 2 180 30 2 assign (residue 25 and name p)(residue 25 and name o5') (residue 25 and name c5')(residue 25 and name c4') 2 180 30 2 assign (residue 26 and name p)(residue 26 and name o5') (residue 26 and name c5')(residue 26 and name c4') 2 180 30 2 {backbone torsion angle gamma} {used in refinement only} assign (residue 1 and name o5')(residue 1 and name c5') (residue 1 and name c4')(residue 1 and name c3') 2 55 30 2 assign (residue 2 and name o5')(residue 2 and name c5') (residue 2 and name c4')(residue 2 and name c3') 2 55 30 2 assign (residue 3 and name o5')(residue 3 and name c5') (residue 3 and name c4')(residue 3 and name c3') 2 55 30 2 assign (residue 4 and name o5')(residue 4 and name c5') (residue 4 and name c4')(residue 4 and name c3') 2 55 30 2 { G5-C7: around bulge loop, not constrained } assign (residue 8 and name o5')(residue 8 and name c5') (residue 8 and name c4')(residue 8 and name c3') 2 55 30 2 assign (residue 9 and name o5')(residue 9 and name c5') (residue 9 and name c4')(residue 9 and name c3') 2 55 30 2 assign (residue 10 and name o5')(residue 10 and name c5') (residue 10 and name c4')(residue 10 and name c3') 2 55 30 2 assign (residue 11 and name o5')(residue 11 and name c5') (residue 11 and name c4')(residue 11 and name c3') 2 55 30 2 { C12-G16: C(UUCG) tetraloop, not constrained } assign (residue 17 and name o5')(residue 17 and name c5') (residue 17 and name c4')(residue 17 and name c3') 2 55 30 2 assign (residue 18 and name o5')(residue 18 and name c5') (residue 18 and name c4')(residue 18 and name c3') 2 55 30 2 assign (residue 19 and name o5')(residue 19 and name c5') (residue 19 and name c4')(residue 19 and name c3') 2 55 30 2 assign (residue 20 and name o5')(residue 20 and name c5') (residue 20 and name c4')(residue 20 and name c3') 2 55 30 2 assign (residue 21 and name o5')(residue 21 and name c5') (residue 21 and name c4')(residue 21 and name c3') 2 55 30 2 assign (residue 22 and name o5')(residue 22 and name c5') (residue 22 and name c4')(residue 22 and name c3') 2 55 30 2 assign (residue 23 and name o5')(residue 23 and name c5') (residue 23 and name c4')(residue 23 and name c3') 2 55 30 2 assign (residue 24 and name o5')(residue 24 and name c5') (residue 24 and name c4')(residue 24 and name c3') 2 55 30 2 assign (residue 25 and name o5')(residue 25 and name c5') (residue 25 and name c4')(residue 25 and name c3') 2 55 30 2 assign (residue 26 and name o5')(residue 26 and name c5') (residue 26 and name c4')(residue 26 and name c3') 2 55 30 2 {backbone torsion angle epsilon} {used in refinement only} assign (residue 1 and name c4')(residue 1 and name c3') (residue 1 and name o3')(residue 2 and name p) 2 -155 30 2 assign (residue 2 and name c4')(residue 2 and name c3') (residue 2 and name o3')(residue 3 and name p) 2 -155 30 2 assign (residue 3 and name c4')(residue 3 and name c3') (residue 3 and name o3')(residue 4 and name p) 2 -155 30 2 assign (residue 4 and name c4')(residue 4 and name c3') (residue 4 and name o3')(residue 5 and name p) 2 -155 30 2 { G5-C7: around bulge loop, not constrained } assign (residue 8 and name c4')(residue 8 and name c3') (residue 8 and name o3')(residue 9 and name p) 2 -155 30 2 assign (residue 9 and name c4')(residue 9 and name c3') (residue 9 and name o3')(residue 10 and name p) 2 -155 30 2 assign (residue 10 and name c4')(residue 10 and name c3') (residue 10 and name o3')(residue 11 and name p) 2 -155 30 2 assign (residue 11 and name c4')(residue 11 and name c3') (residue 11 and name o3')(residue 12 and name p) 2 -155 30 2 { C12-G16: C(UUCG) tetraloop, not constrained } assign (residue 17 and name c4')(residue 17 and name c3') (residue 17 and name o3')(residue 18 and name p) 2 -155 30 2 assign (residue 18 and name c4')(residue 18 and name c3') (residue 18 and name o3')(residue 19 and name p) 2 -155 30 2 assign (residue 19 and name c4')(residue 19 and name c3') (residue 19 and name o3')(residue 20 and name p) 2 -155 30 2 assign (residue 20 and name c4')(residue 20 and name c3') (residue 20 and name o3')(residue 21 and name p) 2 -155 30 2 assign (residue 21 and name c4')(residue 21 and name c3') (residue 21 and name o3')(residue 22 and name p) 2 -155 30 2 assign (residue 22 and name c4')(residue 22 and name c3') (residue 22 and name o3')(residue 23 and name p) 2 -155 30 2 assign (residue 23 and name c4')(residue 23 and name c3') (residue 23 and name o3')(residue 24 and name p) 2 -155 30 2 assign (residue 24 and name c4')(residue 24 and name c3') (residue 24 and name o3')(residue 25 and name p) 2 -155 30 2 assign (residue 25 and name c4')(residue 25 and name c3') (residue 25 and name o3')(residue 26 and name p) 2 -155 30 2 assign (residue 26 and name c4')(residue 26 and name c3') (residue 26 and name o3')(residue 27 and name p) 2 -155 30 2 {backbone torsion angle alpha} {used in refinement only} assign (residue 1 and name o3')(residue 2 and name p) (residue 2 and name o5')(residue 2 and name c5') 2 -70 30 2 assign (residue 2 and name o3')(residue 3 and name p) (residue 3 and name o5')(residue 3 and name c5') 2 -70 30 2 assign (residue 3 and name o3')(residue 4 and name p) (residue 4 and name o5')(residue 4 and name c5') 2 -70 30 2 { G5-C7: around bulge loop, not constrained } assign (residue 7 and name o3')(residue 8 and name p) (residue 8 and name o5')(residue 8 and name c5') 2 -70 30 2 assign (residue 9 and name o3')(residue 10 and name p) (residue 10 and name o5')(residue 10 and name c5') 2 -70 30 2 assign (residue 10 and name o3')(residue 11 and name p) (residue 11 and name o5')(residue 11 and name c5') 2 -70 30 2 assign (residue 11 and name o3')(residue 12 and name p) (residue 12 and name o5')(residue 12 and name c5') 2 -70 30 2 { UUCG: taken from paper Cheong } assign (residue 12 and name o3')(residue 13 and name p) (residue 13 and name o5')(residue 13 and name c5') 2 -70 30 2 assign (residue 13 and name o3')(residue 14 and name p) (residue 14 and name o5')(residue 14 and name c5') 2 -70 30 2 { don't constrain U14, C15, G16: strong 3JPH4'/H5'/H5'', irregular CS } { UUCG: end } assign (residue 17 and name o3')(residue 18 and name p) (residue 18 and name o5')(residue 18 and name c5') 2 -70 30 2 assign (residue 18 and name o3')(residue 19 and name p) (residue 19 and name o5')(residue 19 and name c5') 2 -70 30 2 assign (residue 19 and name o3')(residue 20 and name p) (residue 20 and name o5')(residue 20 and name c5') 2 -70 30 2 assign (residue 20 and name o3')(residue 21 and name p) (residue 21 and name o5')(residue 21 and name c5') 2 -70 30 2 assign (residue 21 and name o3')(residue 22 and name p) (residue 22 and name o5')(residue 22 and name c5') 2 -70 30 2 { G22-C23: continuous strand of bulge, not constrained } assign (residue 23 and name o3')(residue 24 and name p) (residue 24 and name o5')(residue 24 and name c5') 2 -70 30 2 assign (residue 24 and name o3')(residue 25 and name p) (residue 25 and name o5')(residue 25 and name c5') 2 -70 30 2 assign (residue 25 and name o3')(residue 26 and name p) (residue 26 and name o5')(residue 26 and name c5') 2 -70 30 2 {backbone torsion angle zeta} {used in refinement only} assign (residue 1 and name c3')(residue 1 and name o3') (residue 2 and name p)(residue 2 and name o5') 2 -70 30 2 assign (residue 2 and name c3')(residue 2 and name o3') (residue 3 and name p)(residue 3 and name o5') 2 -70 30 2 assign (residue 3 and name c3')(residue 3 and name o3') (residue 4 and name p)(residue 4 and name o5') 2 -70 30 2 assign (residue 4 and name c3')(residue 4 and name o3') (residue 5 and name p)(residue 5 and name o5') 2 -70 30 2 { U6-C7: around bulge, not constrained } assign (residue 7 and name c3')(residue 7 and name o3') (residue 8 and name p)(residue 8 and name o5') 2 -70 30 2 assign (residue 8 and name c3')(residue 8 and name o3') (residue 9 and name p)(residue 9 and name o5') 2 -70 30 2 assign (residue 9 and name c3')(residue 9 and name o3') (residue 10 and name p)(residue 10 and name o5') 2 -70 30 2 assign (residue 10 and name c3')(residue 10 and name o3') (residue 11 and name p)(residue 11 and name o5') 2 -70 30 2 assign (residue 11 and name c3')(residue 11 and name o3') (residue 12 and name p)(residue 12 and name o5') 2 -70 30 2 { UUCG: taken from paper Cheong } assign (residue 12 and name c3')(residue 12 and name o3') (residue 13 and name p)(residue 13 and name o5') 2 -70 30 2 assign (residue 13 and name c3')(residue 13 and name o3') (residue 14 and name p)(residue 14 and name o5') 2 -70 30 2 { don't constrain U14, C15: strong 3JPH4'/H5'/H5'', irregular CS } { UUCG: end } { don't constrain this either; funny shift and strong 3JP/H5'/H5''} {assign (residue 16 and name c3')(residue 16 and name o3') (residue 17 and name p)(residue 17 and name o5') 2 -70 30 2} assign (residue 17 and name c3')(residue 17 and name o3') (residue 18 and name p)(residue 18 and name o5') 2 -70 30 2 assign (residue 18 and name c3')(residue 18 and name o3') (residue 19 and name p)(residue 19 and name o5') 2 -70 30 2 assign (residue 19 and name c3')(residue 19 and name o3') (residue 20 and name p)(residue 20 and name o5') 2 -70 30 2 assign (residue 20 and name c3')(residue 20 and name o3') (residue 21 and name p)(residue 21 and name o5') 2 -70 30 2 assign (residue 21 and name c3')(residue 21 and name o3') (residue 22 and name p)(residue 22 and name o5') 2 -70 30 2 { G22-C23: continuous strand of bulge, not constrained } assign (residue 23 and name c3')(residue 23 and name o3') (residue 24 and name p)(residue 24 and name o5') 2 -70 30 2 assign (residue 24 and name c3')(residue 24 and name o3') (residue 25 and name p)(residue 25 and name o5') 2 -70 30 2 assign (residue 25 and name c3')(residue 25 and name o3') (residue 26 and name p)(residue 26 and name o5') 2 -70 30 2 assign (residue 26 and name c3')(residue 26 and name o3') (residue 27 and name p)(residue 27 and name o5') 2 -70 30 2
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