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 |
|
|
605653 |
2n6w   |
25784 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
{Delta: from DQF-COSY and TOCSY
3'endo: residue 1-15, 22-36}
assign (residue 1 and name c4') (residue 1 and name o4')
(residue 1 and name c1') (residue 1 and name c2') 2 0 15 2
assign (residue 1 and name o4') (residue 1 and name c1')
(residue 1 and name c2') (residue 1 and name c3') 2 -25 20 2
assign (residue 1 and name c1') (residue 1 and name c2')
(residue 1 and name c3') (residue 1 and name c4') 2 36 15 2
assign (residue 1 and name c2') (residue 1 and name c3')
(residue 1 and name c4') (residue 1 and name o4') 2 -36 15 2
assign (residue 2 and name c4') (residue 2 and name o4')
(residue 2 and name c1') (residue 2 and name c2') 2 0 15 2
assign (residue 2 and name o4') (residue 2 and name c1')
(residue 2 and name c2') (residue 2 and name c3') 2 -25 20 2
assign (residue 2 and name c1') (residue 2 and name c2')
(residue 2 and name c3') (residue 2 and name c4') 2 36 15 2
assign (residue 2 and name c2') (residue 2 and name c3')
(residue 2 and name c4') (residue 2 and name o4') 2 -36 15 2
assign (residue 3 and name c4') (residue 3 and name o4')
(residue 3 and name c1') (residue 3 and name c2') 2 0 15 2
assign (residue 3 and name o4') (residue 3 and name c1')
(residue 3 and name c2') (residue 3 and name c3') 2 -25 20 2
assign (residue 3 and name c1') (residue 3 and name c2')
(residue 3 and name c3') (residue 3 and name c4') 2 36 15 2
assign (residue 3 and name c2') (residue 3 and name c3')
(residue 3 and name c4') (residue 3 and name o4') 2 -36 15 2
assign (residue 4 and name c4') (residue 4 and name o4')
(residue 4 and name c1') (residue 4 and name c2') 2 0 15 2
assign (residue 4 and name o4') (residue 4 and name c1')
(residue 4 and name c2') (residue 4 and name c3') 2 -25 20 2
assign (residue 4 and name c1') (residue 4 and name c2')
(residue 4 and name c3') (residue 4 and name c4') 2 36 15 2
assign (residue 4 and name c2') (residue 4 and name c3')
(residue 4 and name c4') (residue 4 and name o4') 2 -36 15 2
assign (residue 5 and name c4') (residue 5 and name o4')
(residue 5 and name c1') (residue 5 and name c2') 2 0 15 2
assign (residue 5 and name o4') (residue 5 and name c1')
(residue 5 and name c2') (residue 5 and name c3') 2 -25 20 2
assign (residue 5 and name c1') (residue 5 and name c2')
(residue 5 and name c3') (residue 5 and name c4') 2 36 15 2
assign (residue 5 and name c2') (residue 5 and name c3')
(residue 5 and name c4') (residue 5 and name o4') 2 -36 15 2
assign (residue 6 and name c4') (residue 6 and name o4')
(residue 6 and name c1') (residue 6 and name c2') 2 0 15 2
assign (residue 6 and name o4') (residue 6 and name c1')
(residue 6 and name c2') (residue 6 and name c3') 2 -25 20 2
assign (residue 6 and name c1') (residue 6 and name c2')
(residue 6 and name c3') (residue 6 and name c4') 2 36 15 2
assign (residue 6 and name c2') (residue 6 and name c3')
(residue 6 and name c4') (residue 6 and name o4') 2 -36 15 2
assign (residue 7 and name c4') (residue 7 and name o4')
(residue 7 and name c1') (residue 7 and name c2') 2 0 15 2
assign (residue 7 and name o4') (residue 7 and name c1')
(residue 7 and name c2') (residue 7 and name c3') 2 -25 20 2
assign (residue 7 and name c1') (residue 7 and name c2')
(residue 7 and name c3') (residue 7 and name c4') 2 36 15 2
assign (residue 7 and name c2') (residue 7 and name c3')
(residue 7 and name c4') (residue 7 and name o4') 2 -36 15 2
assign (residue 8 and name c4') (residue 8 and name o4')
(residue 8 and name c1') (residue 8 and name c2') 2 0 15 2
assign (residue 8 and name o4') (residue 8 and name c1')
(residue 8 and name c2') (residue 8 and name c3') 2 -25 20 2
assign (residue 8 and name c1') (residue 8 and name c2')
(residue 8 and name c3') (residue 8 and name c4') 2 36 15 2
assign (residue 8 and name c2') (residue 8 and name c3')
(residue 8 and name c4') (residue 8 and name o4') 2 -36 15 2
assign (residue 9 and name c4') (residue 9 and name o4')
(residue 9 and name c1') (residue 9 and name c2') 2 0 15 2
assign (residue 9 and name o4') (residue 9 and name c1')
(residue 9 and name c2') (residue 9 and name c3') 2 -25 20 2
assign (residue 9 and name c1') (residue 9 and name c2')
(residue 9 and name c3') (residue 9 and name c4') 2 36 15 2
assign (residue 9 and name c2') (residue 9 and name c3')
(residue 9 and name c4') (residue 9 and name o4') 2 -36 15 2
assign (residue 10 and name c4') (residue 10 and name o4')
(residue 10 and name c1') (residue 10 and name c2') 2 0 15 2
assign (residue 10 and name o4') (residue 10 and name c1')
(residue 10 and name c2') (residue 10 and name c3') 2 -25 20 2
assign (residue 10 and name c1') (residue 10 and name c2')
(residue 10 and name c3') (residue 10 and name c4') 2 36 15 2
assign (residue 10 and name c2') (residue 10 and name c3')
(residue 10 and name c4') (residue 10 and name o4') 2 -36 15 2
assign (residue 11 and name c4') (residue 11 and name o4')
(residue 11 and name c1') (residue 11 and name c2') 2 0 15 2
assign (residue 11 and name o4') (residue 11 and name c1')
(residue 11 and name c2') (residue 11 and name c3') 2 -25 20 2
assign (residue 11 and name c1') (residue 11 and name c2')
(residue 11 and name c3') (residue 11 and name c4') 2 36 15 2
assign (residue 11 and name c2') (residue 11 and name c3')
(residue 11 and name c4') (residue 11 and name o4') 2 -36 15 2
assign (residue 12 and name c4') (residue 12 and name o4')
(residue 12 and name c1') (residue 12 and name c2') 2 0 15 2
assign (residue 12 and name o4') (residue 12 and name c1')
(residue 12 and name c2') (residue 12 and name c3') 2 -25 20 2
assign (residue 12 and name c1') (residue 12 and name c2')
(residue 12 and name c3') (residue 12 and name c4') 2 36 15 2
assign (residue 12 and name c2') (residue 12 and name c3')
(residue 12 and name c4') (residue 12 and name o4') 2 -36 15 2
assign (residue 13 and name c4') (residue 13 and name o4')
(residue 13 and name c1') (residue 13 and name c2') 2 0 15 2
assign (residue 13 and name o4') (residue 13 and name c1')
(residue 13 and name c2') (residue 13 and name c3') 2 -25 20 2
assign (residue 13 and name c1') (residue 13 and name c2')
(residue 13 and name c3') (residue 13 and name c4') 2 36 15 2
assign (residue 13 and name c2') (residue 13 and name c3')
(residue 13 and name c4') (residue 13 and name o4') 2 -36 15 2
assign (residue 14 and name c4') (residue 14 and name o4')
(residue 14 and name c1') (residue 14 and name c2') 2 0 15 2
assign (residue 14 and name o4') (residue 14 and name c1')
(residue 14 and name c2') (residue 14 and name c3') 2 -25 20 2
assign (residue 14 and name c1') (residue 14 and name c2')
(residue 14 and name c3') (residue 14 and name c4') 2 36 15 2
assign (residue 14 and name c2') (residue 14 and name c3')
(residue 14 and name c4') (residue 14 and name o4') 2 -36 15 2
assign (residue 15 and name c4') (residue 15 and name o4')
(residue 15 and name c1') (residue 15 and name c2') 2 0 15 2
assign (residue 15 and name o4') (residue 15 and name c1')
(residue 15 and name c2') (residue 15 and name c3') 2 -25 20 2
assign (residue 15 and name c1') (residue 15 and name c2')
(residue 15 and name c3') (residue 15 and name c4') 2 36 15 2
assign (residue 15 and name c2') (residue 15 and name c3')
(residue 15 and name c4') (residue 15 and name o4') 2 -36 15 2
assign (residue 54 and name c4') (residue 54 and name o4')
(residue 54 and name c1') (residue 54 and name c2') 2 0 15 2
assign (residue 54 and name o4') (residue 54 and name c1')
(residue 54 and name c2') (residue 54 and name c3') 2 -25 20 2
assign (residue 54 and name c1') (residue 54 and name c2')
(residue 54 and name c3') (residue 54 and name c4') 2 36 15 2
assign (residue 54 and name c2') (residue 54 and name c3')
(residue 54 and name c4') (residue 54 and name o4') 2 -36 15 2
assign (residue 55 and name c4') (residue 55 and name o4')
(residue 55 and name c1') (residue 55 and name c2') 2 0 15 2
assign (residue 55 and name o4') (residue 55 and name c1')
(residue 55 and name c2') (residue 55 and name c3') 2 -25 20 2
assign (residue 55 and name c1') (residue 55 and name c2')
(residue 55 and name c3') (residue 55 and name c4') 2 36 15 2
assign (residue 55 and name c2') (residue 55 and name c3')
(residue 55 and name c4') (residue 55 and name o4') 2 -36 15 2
assign (residue 56 and name c4') (residue 56 and name o4')
(residue 56 and name c1') (residue 56 and name c2') 2 0 15 2
assign (residue 56 and name o4') (residue 56 and name c1')
(residue 56 and name c2') (residue 56 and name c3') 2 -25 20 2
assign (residue 56 and name c1') (residue 56 and name c2')
(residue 56 and name c3') (residue 56 and name c4') 2 36 15 2
assign (residue 56 and name c2') (residue 56 and name c3')
(residue 56 and name c4') (residue 56 and name o4') 2 -36 15 2
assign (residue 57 and name c4') (residue 57 and name o4')
(residue 57 and name c1') (residue 57 and name c2') 2 0 15 2
assign (residue 57 and name o4') (residue 57 and name c1')
(residue 57 and name c2') (residue 57 and name c3') 2 -25 20 2
assign (residue 57 and name c1') (residue 57 and name c2')
(residue 57 and name c3') (residue 57 and name c4') 2 36 15 2
assign (residue 57 and name c2') (residue 57 and name c3')
(residue 57 and name c4') (residue 57 and name o4') 2 -36 15 2
assign (residue 58 and name c4') (residue 58 and name o4')
(residue 58 and name c1') (residue 58 and name c2') 2 0 15 2
assign (residue 58 and name o4') (residue 58 and name c1')
(residue 58 and name c2') (residue 58 and name c3') 2 -25 20 2
assign (residue 58 and name c1') (residue 58 and name c2')
(residue 58 and name c3') (residue 58 and name c4') 2 36 15 2
assign (residue 58 and name c2') (residue 58 and name c3')
(residue 58 and name c4') (residue 58 and name o4') 2 -36 15 2
assign (residue 59 and name c4') (residue 59 and name o4')
(residue 59 and name c1') (residue 59 and name c2') 2 0 15 2
assign (residue 59 and name o4') (residue 59 and name c1')
(residue 59 and name c2') (residue 59 and name c3') 2 -25 20 2
assign (residue 59 and name c1') (residue 59 and name c2')
(residue 59 and name c3') (residue 59 and name c4') 2 36 15 2
assign (residue 59 and name c2') (residue 59 and name c3')
(residue 59 and name c4') (residue 59 and name o4') 2 -36 15 2
assign (residue 60 and name c4') (residue 60 and name o4')
(residue 60 and name c1') (residue 60 and name c2') 2 0 15 2
assign (residue 60 and name o4') (residue 60 and name c1')
(residue 60 and name c2') (residue 60 and name c3') 2 -25 20 2
assign (residue 60 and name c1') (residue 60 and name c2')
(residue 60 and name c3') (residue 60 and name c4') 2 36 15 2
assign (residue 60 and name c2') (residue 60 and name c3')
(residue 60 and name c4') (residue 60 and name o4') 2 -36 15 2
assign (residue 61 and name c4') (residue 61 and name o4')
(residue 61 and name c1') (residue 61 and name c2') 2 0 15 2
assign (residue 61 and name o4') (residue 61 and name c1')
(residue 61 and name c2') (residue 61 and name c3') 2 -25 20 2
assign (residue 61 and name c1') (residue 61 and name c2')
(residue 61 and name c3') (residue 61 and name c4') 2 36 15 2
assign (residue 61 and name c2') (residue 61 and name c3')
(residue 61 and name c4') (residue 61 and name o4') 2 -36 15 2
assign (residue 62 and name c4') (residue 62 and name o4')
(residue 62 and name c1') (residue 62 and name c2') 2 0 15 2
assign (residue 62 and name o4') (residue 62 and name c1')
(residue 62 and name c2') (residue 62 and name c3') 2 -25 20 2
assign (residue 62 and name c1') (residue 62 and name c2')
(residue 62 and name c3') (residue 62 and name c4') 2 36 15 2
assign (residue 62 and name c2') (residue 62 and name c3')
(residue 62 and name c4') (residue 62 and name o4') 2 -36 15 2
assign (residue 63 and name c4') (residue 63 and name o4')
(residue 63 and name c1') (residue 63 and name c2') 2 0 15 2
assign (residue 63 and name o4') (residue 63 and name c1')
(residue 63 and name c2') (residue 63 and name c3') 2 -25 20 2
assign (residue 63 and name c1') (residue 63 and name c2')
(residue 63 and name c3') (residue 63 and name c4') 2 36 15 2
assign (residue 63 and name c2') (residue 63 and name c3')
(residue 63 and name c4') (residue 63 and name o4') 2 -36 15 2
assign (residue 64 and name c4') (residue 64 and name o4')
(residue 64 and name c1') (residue 64 and name c2') 2 0 15 2
assign (residue 64 and name o4') (residue 64 and name c1')
(residue 64 and name c2') (residue 64 and name c3') 2 -25 20 2
assign (residue 64 and name c1') (residue 64 and name c2')
(residue 64 and name c3') (residue 64 and name c4') 2 36 15 2
assign (residue 64 and name c2') (residue 64 and name c3')
(residue 64 and name c4') (residue 64 and name o4') 2 -36 15 2
assign (residue 65 and name c4') (residue 65 and name o4')
(residue 65 and name c1') (residue 65 and name c2') 2 0 15 2
assign (residue 65 and name o4') (residue 65 and name c1')
(residue 65 and name c2') (residue 65 and name c3') 2 -25 20 2
assign (residue 65 and name c1') (residue 65 and name c2')
(residue 65 and name c3') (residue 65 and name c4') 2 36 15 2
assign (residue 65 and name c2') (residue 65 and name c3')
(residue 65 and name c4') (residue 65 and name o4') 2 -36 15 2
assign (residue 66 and name c4') (residue 66 and name o4')
(residue 66 and name c1') (residue 66 and name c2') 2 0 15 2
assign (residue 66 and name o4') (residue 66 and name c1')
(residue 66 and name c2') (residue 66 and name c3') 2 -25 20 2
assign (residue 66 and name c1') (residue 66 and name c2')
(residue 66 and name c3') (residue 66 and name c4') 2 36 15 2
assign (residue 66 and name c2') (residue 66 and name c3')
(residue 66 and name c4') (residue 66 and name o4') 2 -36 15 2
assign (residue 67 and name c4') (residue 67 and name o4')
(residue 67 and name c1') (residue 67 and name c2') 2 0 15 2
assign (residue 67 and name o4') (residue 67 and name c1')
(residue 67 and name c2') (residue 67 and name c3') 2 -25 20 2
assign (residue 67 and name c1') (residue 67 and name c2')
(residue 67 and name c3') (residue 67 and name c4') 2 36 15 2
assign (residue 67 and name c2') (residue 67 and name c3')
(residue 67 and name c4') (residue 67 and name o4') 2 -36 15 2
assign (residue 68 and name c4') (residue 68 and name o4')
(residue 68 and name c1') (residue 68 and name c2') 2 0 15 2
assign (residue 68 and name o4') (residue 68 and name c1')
(residue 68 and name c2') (residue 68 and name c3') 2 -25 20 2
assign (residue 68 and name c1') (residue 68 and name c2')
(residue 68 and name c3') (residue 68 and name c4') 2 36 15 2
assign (residue 68 and name c2') (residue 68 and name c3')
(residue 68 and name c4') (residue 68 and name o4') 2 -36 15 2
{Beta: assume all A-form, i.e. trans
residues 1-14 and 22-36}
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
assign (residue 5 and name p) (residue 5 and name o5')
(residue 5 and name c5') (residue 5 and name c4') 2 180 30 2
assign (residue 6 and name p) (residue 6 and name o5')
(residue 6 and name c5') (residue 6 and name c4') 2 180 30 2
assign (residue 7 and name p) (residue 7 and name o5')
(residue 7 and name c5') (residue 7 and name c4') 2 180 30 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
assign (residue 12 and name p) (residue 12 and name o5')
(residue 12 and name c5') (residue 12 and name c4') 2 180 30 2
assign (residue 13 and name p) (residue 13 and name o5')
(residue 13 and name c5') (residue 13 and name c4') 2 180 30 2
assign (residue 14 and name p) (residue 14 and name o5')
(residue 14 and name c5') (residue 14 and name c4') 2 180 30 2
assign (residue 15 and name p) (residue 15 and name o5')
(residue 15 and name c5') (residue 15 and name c4') 2 180 30 2
assign (residue 54 and name p) (residue 54 and name o5')
(residue 54 and name c5') (residue 54 and name c4') 2 180 30 2
assign (residue 55 and name p) (residue 55 and name o5')
(residue 55 and name c5') (residue 55 and name c4') 2 180 30 2
assign (residue 56 and name p) (residue 56 and name o5')
(residue 56 and name c5') (residue 56 and name c4') 2 180 30 2
assign (residue 57 and name p) (residue 57 and name o5')
(residue 57 and name c5') (residue 57 and name c4') 2 180 30 2
assign (residue 58 and name p) (residue 58 and name o5')
(residue 58 and name c5') (residue 58 and name c4') 2 180 30 2
assign (residue 59 and name p) (residue 59 and name o5')
(residue 59 and name c5') (residue 59 and name c4') 2 180 30 2
assign (residue 60 and name p) (residue 60 and name o5')
(residue 60 and name c5') (residue 60 and name c4') 2 180 30 2
assign (residue 61 and name p) (residue 61 and name o5')
(residue 61 and name c5') (residue 61 and name c4') 2 180 30 2
assign (residue 62 and name p) (residue 62 and name o5')
(residue 62 and name c5') (residue 62 and name c4') 2 180 30 2
assign (residue 63 and name p) (residue 63 and name o5')
(residue 63 and name c5') (residue 63 and name c4') 2 180 30 2
assign (residue 64 and name p) (residue 64 and name o5')
(residue 64 and name c5') (residue 64 and name c4') 2 180 30 2
assign (residue 65 and name p) (residue 65 and name o5')
(residue 65 and name c5') (residue 65 and name c4') 2 180 30 2
assign (residue 66 and name p) (residue 66 and name o5')
(residue 66 and name c5') (residue 66 and name c4') 2 180 30 2
assign (residue 67 and name p) (residue 67 and name o5')
(residue 67 and name c5') (residue 67 and name c4') 2 180 30 2
assign (residue 68 and name p) (residue 68 and name o5')
(residue 68 and name c5') (residue 68 and name c4') 2 180 30 2
{Gamma: assume A-form helicity: gauche+
residue 1-14 and 22-36}
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
assign (residue 5 and name o5') (residue 5 and name c5')
(residue 5 and name c4') (residue 5 and name c3') 2 55 30 2
assign (residue 6 and name o5') (residue 6 and name c5')
(residue 6 and name c4') (residue 6 and name c3') 2 55 30 2
assign (residue 7 and name o5') (residue 7 and name c5')
(residue 7 and name c4') (residue 7 and name c3') 2 55 30 2
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
assign (residue 12 and name o5') (residue 12 and name c5')
(residue 12 and name c4') (residue 12 and name c3') 2 55 30 2
assign (residue 13 and name o5') (residue 13 and name c5')
(residue 13 and name c4') (residue 13 and name c3') 2 55 30 2
assign (residue 14 and name o5') (residue 14 and name c5')
(residue 14 and name c4') (residue 14 and name c3') 2 55 30 2
assign (residue 15 and name o5') (residue 15 and name c5')
(residue 15 and name c4') (residue 15 and name c3') 2 55 30 2
assign (residue 54 and name o5') (residue 54 and name c5')
(residue 54 and name c4') (residue 54 and name c3') 2 55 30 2
assign (residue 55 and name o5') (residue 55 and name c5')
(residue 55 and name c4') (residue 55 and name c3') 2 55 30 2
assign (residue 56 and name o5') (residue 56 and name c5')
(residue 56 and name c4') (residue 56 and name c3') 2 55 30 2
assign (residue 57 and name o5') (residue 57 and name c5')
(residue 57 and name c4') (residue 57 and name c3') 2 55 30 2
assign (residue 58 and name o5') (residue 58 and name c5')
(residue 58 and name c4') (residue 58 and name c3') 2 55 30 2
assign (residue 59 and name o5') (residue 59 and name c5')
(residue 59 and name c4') (residue 59 and name c3') 2 55 30 2
assign (residue 60 and name o5') (residue 60 and name c5')
(residue 60 and name c4') (residue 60 and name c3') 2 55 30 2
assign (residue 61 and name o5') (residue 61 and name c5')
(residue 61 and name c4') (residue 61 and name c3') 2 55 30 2
assign (residue 62 and name o5') (residue 62 and name c5')
(residue 62 and name c4') (residue 62 and name c3') 2 55 30 2
assign (residue 63 and name o5') (residue 63 and name c5')
(residue 63 and name c4') (residue 63 and name c3') 2 55 30 2
assign (residue 64 and name o5') (residue 64 and name c5')
(residue 64 and name c4') (residue 64 and name c3') 2 55 30 2
assign (residue 65 and name o5') (residue 65 and name c5')
(residue 65 and name c4') (residue 65 and name c3') 2 55 30 2
assign (residue 66 and name o5') (residue 66 and name c5')
(residue 66 and name c4') (residue 66 and name c3') 2 55 30 2
assign (residue 67 and name o5') (residue 67 and name c5')
(residue 67 and name c4') (residue 67 and name c3') 2 55 30 2
assign (residue 68 and name o5') (residue 68 and name c5')
(residue 68 and name c4') (residue 68 and name c3') 2 55 30 2
{Epsilon: assume A-form helicity: trans
residue 1-14 and 22-36}
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
assign (residue 5 and name c4') (residue 5 and name c3')
(residue 5 and name o3') (residue 6 and name p) 2 -155 30 2
assign (residue 6 and name c4') (residue 6 and name c3')
(residue 6 and name o3') (residue 7 and name p) 2 -155 30 2
assign (residue 7 and name c4') (residue 7 and name c3')
(residue 7 and name o3') (residue 8 and name p) 2 -155 30 2
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
assign (residue 12 and name c4') (residue 12 and name c3')
(residue 12 and name o3') (residue 13 and name p) 2 -155 30 2
assign (residue 13 and name c4') (residue 13 and name c3')
(residue 13 and name o3') (residue 14 and name p) 2 -155 30 2
assign (residue 14 and name c4') (residue 14 and name c3')
(residue 14 and name o3') (residue 15 and name p) 2 -155 30 2
assign (residue 15 and name c4') (residue 15 and name c3')
(residue 15 and name o3') (residue 16 and name p) 2 -155 30 2
assign (residue 54 and name c4') (residue 54 and name c3')
(residue 54 and name o3') (residue 55 and name p) 2 -155 30 2
assign (residue 55 and name c4') (residue 55 and name c3')
(residue 55 and name o3') (residue 56 and name p) 2 -155 30 2
assign (residue 56 and name c4') (residue 56 and name c3')
(residue 56 and name o3') (residue 57 and name p) 2 -155 30 2
assign (residue 57 and name c4') (residue 57 and name c3')
(residue 57 and name o3') (residue 58 and name p) 2 -155 30 2
assign (residue 58 and name c4') (residue 58 and name c3')
(residue 58 and name o3') (residue 59 and name p) 2 -155 30 2
assign (residue 59 and name c4') (residue 59 and name c3')
(residue 59 and name o3') (residue 60 and name p) 2 -155 30 2
assign (residue 60 and name c4') (residue 60 and name c3')
(residue 60 and name o3') (residue 61 and name p) 2 -155 30 2
assign (residue 61 and name c4') (residue 61 and name c3')
(residue 61 and name o3') (residue 62 and name p) 2 -155 30 2
assign (residue 62 and name c4') (residue 62 and name c3')
(residue 62 and name o3') (residue 63 and name p) 2 -155 30 2
assign (residue 63 and name c4') (residue 63 and name c3')
(residue 63 and name o3') (residue 64 and name p) 2 -155 30 2
assign (residue 64 and name c4') (residue 64 and name c3')
(residue 64 and name o3') (residue 65 and name p) 2 -155 30 2
assign (residue 65 and name c4') (residue 65 and name c3')
(residue 65 and name o3') (residue 66 and name p) 2 -155 30 2
assign (residue 66 and name c4') (residue 66 and name c3')
(residue 66 and name o3') (residue 67 and name p) 2 -155 30 2
assign (residue 67 and name c4') (residue 67 and name c3')
(residue 67 and name o3') (residue 68 and name p) 2 -155 30 2
{keep aminos 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 3 and name h62) (residue 3 and name n6)
(residue 3 and name c2) (residue 3 and name n3) 10 0 5 2
assign (residue 4 and name h62) (residue 4 and name n6)
(residue 4 and name c2) (residue 4 and name n3) 10 0 5 2
assign (residue 8 and name h62) (residue 8 and name n6)
(residue 8 and name c2) (residue 8 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 11 and name h62) (residue 11 and name n6)
(residue 11 and name c2) (residue 11 and name n3) 10 0 5 2
assign (residue 12 and name h22) (residue 12 and name n2)
(residue 12 and name c2) (residue 12 and name n3) 10 0 5 2
assign (residue 14 and name h62) (residue 14 and name n6)
(residue 14 and name c2) (residue 14 and name n3) 10 0 5 2
assign (residue 15 and name h42) (residue 15 and name n4)
(residue 15 and name c2) (residue 15 and name n3) 10 0 5 2
assign (residue 54 and name h62) (residue 54 and name n6)
(residue 54 and name c2) (residue 54 and name n3) 10 0 5 2
assign (residue 56 and name h62) (residue 56 and name n6)
(residue 56 and name c2) (residue 56 and name n3) 10 0 5 2
assign (residue 57 and name h42) (residue 57 and name n4)
(residue 57 and name c2) (residue 57 and name n3) 10 0 5 2
assign (residue 60 and name h62) (residue 60 and name n6)
(residue 60 and name c2) (residue 60 and name n3) 10 0 5 2
assign (residue 62 and name h62) (residue 62 and name n6)
(residue 62 and name c2) (residue 62 and name n3) 10 0 5 2
assign (residue 63 and name h22) (residue 63 and name n2)
(residue 63 and name c2) (residue 63 and name n3) 10 0 5 2
assign (residue 64 and name h62) (residue 64 and name n6)
(residue 64 and name c2) (residue 64 and name n3) 10 0 5 2
assign (residue 67 and name h42) (residue 67 and name n4)
(residue 67 and name c2) (residue 67 and name n3) 10 0 5 2
assign (residue 68 and name h42) (residue 68 and name n4)
(residue 68 and name c2) (residue 68 and name n3) 10 0 5 2}
{Delta: from DQF-COSY and TOCSY
3?endo: residue 1-4,6-18, 25-29, 32-42; mixed: 5, 30, 31}
{assign (residue 16 and name c4') (residue 16 and name o4')
(residue 16 and name c1') (residue 16 and name c2') 2 0 15 2
assign (residue 16 and name o4') (residue 16 and name c1')
(residue 16 and name c2') (residue 16 and name c3') 2 -25 20 2
assign (residue 16 and name c1') (residue 16 and name c2')
(residue 16 and name c3') (residue 16 and name c4') 2 36 15 2
assign (residue 16 and name c2') (residue 16 and name c3')
(residue 16 and name c4') (residue 16 and name o4') 2 -36 15 2} {mod5 shows mixed}
assign (residue 16 and name c4') (residue 16 and name o4')
(residue 16 and name c1') (residue 16 and name c2') 2 -20 20 2
assign (residue 16 and name o4') (residue 16 and name c1')
(residue 16 and name c2') (residue 16 and name c3') 2 15 25 2
assign (residue 16 and name c1') (residue 16 and name c2')
(residue 16 and name c3') (residue 16 and name c4') 2 0 35 2
assign (residue 16 and name c2') (residue 16 and name c3')
(residue 16 and name c4') (residue 16 and name o4') 2 0 40 2
{assign (residue 17 and name c4') (residue 17 and name o4')
(residue 17 and name c1') (residue 17 and name c2') 2 0 15 2
assign (residue 17 and name o4') (residue 17 and name c1')
(residue 17 and name c2') (residue 17 and name c3') 2 -25 20 2
assign (residue 17 and name c1') (residue 17 and name c2')
(residue 17 and name c3') (residue 17 and name c4') 2 36 15 2
assign (residue 17 and name c2') (residue 17 and name c3')
(residue 17 and name c4') (residue 17 and name o4') 2 -36 15 2} {mod5 shows mixed}
assign (residue 17 and name c4') (residue 17 and name o4')
(residue 17 and name c1') (residue 17 and name c2') 2 -20 20 2
assign (residue 17 and name o4') (residue 17 and name c1')
(residue 17 and name c2') (residue 17 and name c3') 2 15 25 2
assign (residue 17 and name c1') (residue 17 and name c2')
(residue 17 and name c3') (residue 17 and name c4') 2 0 35 2
assign (residue 17 and name c2') (residue 17 and name c3')
(residue 17 and name c4') (residue 17 and name o4') 2 0 40 2
{assign (residue 18 and name c4') (residue 18 and name o4')
(residue 18 and name c1') (residue 18 and name c2') 2 -20 20 2
assign (residue 18 and name o4') (residue 18 and name c1')
(residue 18 and name c2') (residue 18 and name c3') 2 15 25 2
assign (residue 18 and name c1') (residue 18 and name c2')
(residue 18 and name c3') (residue 18 and name c4') 2 0 35 2
assign (residue 18 and name c2') (residue 18 and name c3')
(residue 18 and name c4') (residue 18 and name o4') 2 0 40 2} {mod5 shows mixed}
assign (residue 18 and name c4') (residue 18 and name o4')
(residue 18 and name c1') (residue 18 and name c2') 2 -20 20 2
assign (residue 18 and name o4') (residue 18 and name c1')
(residue 18 and name c2') (residue 18 and name c3') 2 15 25 2
assign (residue 18 and name c1') (residue 18 and name c2')
(residue 18 and name c3') (residue 18 and name c4') 2 0 35 2
assign (residue 18 and name c2') (residue 18 and name c3')
(residue 18 and name c4') (residue 18 and name o4') 2 0 40 2
assign (residue 19 and name c4') (residue 19 and name o4')
(residue 19 and name c1') (residue 19 and name c2') 2 0 15 2
assign (residue 19 and name o4') (residue 19 and name c1')
(residue 19 and name c2') (residue 19 and name c3') 2 -25 20 2
assign (residue 19 and name c1') (residue 19 and name c2')
(residue 19 and name c3') (residue 19 and name c4') 2 36 15 2
assign (residue 19 and name c2') (residue 19 and name c3')
(residue 19 and name c4') (residue 19 and name o4') 2 -36 15 2
assign (residue 20 and name c4') (residue 20 and name o4')
(residue 20 and name c1') (residue 20 and name c2') 2 0 15 2
assign (residue 20 and name o4') (residue 20 and name c1')
(residue 20 and name c2') (residue 20 and name c3') 2 -25 20 2
assign (residue 20 and name c1') (residue 20 and name c2')
(residue 20 and name c3') (residue 20 and name c4') 2 36 15 2
assign (residue 20 and name c2') (residue 20 and name c3')
(residue 20 and name c4') (residue 20 and name o4') 2 -36 15 2
assign (residue 21 and name c4') (residue 21 and name o4')
(residue 21 and name c1') (residue 21 and name c2') 2 0 15 2
assign (residue 21 and name o4') (residue 21 and name c1')
(residue 21 and name c2') (residue 21 and name c3') 2 -25 20 2
assign (residue 21 and name c1') (residue 21 and name c2')
(residue 21 and name c3') (residue 21 and name c4') 2 36 15 2
assign (residue 21 and name c2') (residue 21 and name c3')
(residue 21 and name c4') (residue 21 and name o4') 2 -36 15 2
assign (residue 22 and name c4') (residue 22 and name o4')
(residue 22 and name c1') (residue 22 and name c2') 2 0 15 2
assign (residue 22 and name o4') (residue 22 and name c1')
(residue 22 and name c2') (residue 22 and name c3') 2 -25 20 2
assign (residue 22 and name c1') (residue 22 and name c2')
(residue 22 and name c3') (residue 22 and name c4') 2 36 15 2
assign (residue 22 and name c2') (residue 22 and name c3')
(residue 22 and name c4') (residue 22 and name o4') 2 -36 15 2
assign (residue 23 and name c4') (residue 23 and name o4')
(residue 23 and name c1') (residue 23 and name c2') 2 0 15 2
assign (residue 23 and name o4') (residue 23 and name c1')
(residue 23 and name c2') (residue 23 and name c3') 2 -25 20 2
assign (residue 23 and name c1') (residue 23 and name c2')
(residue 23 and name c3') (residue 23 and name c4') 2 36 15 2
assign (residue 23 and name c2') (residue 23 and name c3')
(residue 23 and name c4') (residue 23 and name o4') 2 -36 15 2
assign (residue 24 and name c4') (residue 24 and name o4')
(residue 24 and name c1') (residue 24 and name c2') 2 0 15 2
assign (residue 24 and name o4') (residue 24 and name c1')
(residue 24 and name c2') (residue 24 and name c3') 2 -25 20 2
assign (residue 24 and name c1') (residue 24 and name c2')
(residue 24 and name c3') (residue 24 and name c4') 2 36 15 2
assign (residue 24 and name c2') (residue 24 and name c3')
(residue 24 and name c4') (residue 24 and name o4') 2 -36 15 2
assign (residue 25 and name c4') (residue 25 and name o4')
(residue 25 and name c1') (residue 25 and name c2') 2 0 15 2
assign (residue 25 and name o4') (residue 25 and name c1')
(residue 25 and name c2') (residue 25 and name c3') 2 -25 20 2
assign (residue 25 and name c1') (residue 25 and name c2')
(residue 25 and name c3') (residue 25 and name c4') 2 36 15 2
assign (residue 25 and name c2') (residue 25 and name c3')
(residue 25 and name c4') (residue 25 and name o4') 2 -36 15 2
assign (residue 26 and name c4') (residue 26 and name o4')
(residue 26 and name c1') (residue 26 and name c2') 2 0 15 2
assign (residue 26 and name o4') (residue 26 and name c1')
(residue 26 and name c2') (residue 26 and name c3') 2 -25 20 2
assign (residue 26 and name c1') (residue 26 and name c2')
(residue 26 and name c3') (residue 26 and name c4') 2 36 15 2
assign (residue 26 and name c2') (residue 26 and name c3')
(residue 26 and name c4') (residue 26 and name o4') 2 -36 15 2
assign (residue 27 and name c4') (residue 27 and name o4')
(residue 27 and name c1') (residue 27 and name c2') 2 0 15 2
assign (residue 27 and name o4') (residue 27 and name c1')
(residue 27 and name c2') (residue 27 and name c3') 2 -25 20 2
assign (residue 27 and name c1') (residue 27 and name c2')
(residue 27 and name c3') (residue 27 and name c4') 2 36 15 2
assign (residue 27 and name c2') (residue 27 and name c3')
(residue 27 and name c4') (residue 27 and name o4') 2 -36 15 2
assign (residue 28 and name c4') (residue 28 and name o4')
(residue 28 and name c1') (residue 28 and name c2') 2 0 15 2
assign (residue 28 and name o4') (residue 28 and name c1')
(residue 28 and name c2') (residue 28 and name c3') 2 -25 20 2
assign (residue 28 and name c1') (residue 28 and name c2')
(residue 28 and name c3') (residue 28 and name c4') 2 36 15 2
assign (residue 28 and name c2') (residue 28 and name c3')
(residue 28 and name c4') (residue 28 and name o4') 2 -36 15 2
assign (residue 29 and name c4') (residue 29 and name o4')
(residue 29 and name c1') (residue 29 and name c2') 2 0 15 2
assign (residue 29 and name o4') (residue 29 and name c1')
(residue 29 and name c2') (residue 29 and name c3') 2 -25 20 2
assign (residue 29 and name c1') (residue 29 and name c2')
(residue 29 and name c3') (residue 29 and name c4') 2 36 15 2
assign (residue 29 and name c2') (residue 29 and name c3')
(residue 29 and name c4') (residue 29 and name o4') 2 -36 15 2
assign (residue 30 and name c4') (residue 30 and name o4')
(residue 30 and name c1') (residue 30 and name c2') 2 0 15 2
assign (residue 30 and name o4') (residue 30 and name c1')
(residue 30 and name c2') (residue 30 and name c3') 2 -25 20 2
assign (residue 30 and name c1') (residue 30 and name c2')
(residue 30 and name c3') (residue 30 and name c4') 2 36 15 2
assign (residue 30 and name c2') (residue 30 and name c3')
(residue 30 and name c4') (residue 30 and name o4') 2 -36 15 2
assign (residue 31 and name c4') (residue 31 and name o4')
(residue 31 and name c1') (residue 31 and name c2') 2 0 15 2
assign (residue 31 and name o4') (residue 31 and name c1')
(residue 31 and name c2') (residue 31 and name c3') 2 -25 20 2
assign (residue 31 and name c1') (residue 31 and name c2')
(residue 31 and name c3') (residue 31 and name c4') 2 36 15 2
assign (residue 31 and name c2') (residue 31 and name c3')
(residue 31 and name c4') (residue 31 and name o4') 2 -36 15 2
assign (residue 38 and name c4') (residue 38 and name o4')
(residue 38 and name c1') (residue 38 and name c2') 2 0 15 2
assign (residue 38 and name o4') (residue 38 and name c1')
(residue 38 and name c2') (residue 38 and name c3') 2 -25 20 2
assign (residue 38 and name c1') (residue 38 and name c2')
(residue 38 and name c3') (residue 38 and name c4') 2 36 15 2
assign (residue 38 and name c2') (residue 38 and name c3')
(residue 38 and name c4') (residue 38 and name o4') 2 -36 15 2
assign (residue 39 and name c4') (residue 39 and name o4')
(residue 39 and name c1') (residue 39 and name c2') 2 0 15 2
assign (residue 39 and name o4') (residue 39 and name c1')
(residue 39 and name c2') (residue 39 and name c3') 2 -25 20 2
assign (residue 39 and name c1') (residue 39 and name c2')
(residue 39 and name c3') (residue 39 and name c4') 2 36 15 2
assign (residue 39 and name c2') (residue 39 and name c3')
(residue 39 and name c4') (residue 39 and name o4') 2 -36 15 2
assign (residue 40 and name c4') (residue 40 and name o4')
(residue 40 and name c1') (residue 40 and name c2') 2 0 15 2
assign (residue 40 and name o4') (residue 40 and name c1')
(residue 40 and name c2') (residue 40 and name c3') 2 -25 20 2
assign (residue 40 and name c1') (residue 40 and name c2')
(residue 40 and name c3') (residue 40 and name c4') 2 36 15 2
assign (residue 40 and name c2') (residue 40 and name c3')
(residue 40 and name c4') (residue 40 and name o4') 2 -36 15 2
assign (residue 41 and name c4') (residue 41 and name o4')
(residue 41 and name c1') (residue 41 and name c2') 2 0 15 2
assign (residue 41 and name o4') (residue 41 and name c1')
(residue 41 and name c2') (residue 41 and name c3') 2 -25 20 2
assign (residue 41 and name c1') (residue 41 and name c2')
(residue 41 and name c3') (residue 41 and name c4') 2 36 15 2
assign (residue 41 and name c2') (residue 41 and name c3')
(residue 41 and name c4') (residue 41 and name o4') 2 -36 15 2
assign (residue 42 and name c4') (residue 42 and name o4')
(residue 42 and name c1') (residue 42 and name c2') 2 0 15 2
assign (residue 42 and name o4') (residue 42 and name c1')
(residue 42 and name c2') (residue 42 and name c3') 2 -25 20 2
assign (residue 42 and name c1') (residue 42 and name c2')
(residue 42 and name c3') (residue 42 and name c4') 2 36 15 2
assign (residue 42 and name c2') (residue 42 and name c3')
(residue 42 and name c4') (residue 42 and name o4') 2 -36 15 2
assign (residue 43 and name c4') (residue 43 and name o4')
(residue 43 and name c1') (residue 43 and name c2') 2 -20 20 2
assign (residue 43 and name o4') (residue 43 and name c1')
(residue 43 and name c2') (residue 43 and name c3') 2 15 25 2
assign (residue 43 and name c1') (residue 43 and name c2')
(residue 43 and name c3') (residue 43 and name c4') 2 0 35 2
assign (residue 43 and name c2') (residue 43 and name c3')
(residue 43 and name c4') (residue 43 and name o4') 2 0 40 2
assign (residue 44 and name c4') (residue 44 and name o4')
(residue 44 and name c1') (residue 44 and name c2') 2 -20 20 2
assign (residue 44 and name o4') (residue 44 and name c1')
(residue 44 and name c2') (residue 44 and name c3') 2 15 25 2
assign (residue 44 and name c1') (residue 44 and name c2')
(residue 44 and name c3') (residue 44 and name c4') 2 0 35 2
assign (residue 44 and name c2') (residue 44 and name c3')
(residue 44 and name c4') (residue 44 and name o4') 2 0 40 2
assign (residue 45 and name c4') (residue 45 and name o4')
(residue 45 and name c1') (residue 45 and name c2') 2 0 15 2
assign (residue 45 and name o4') (residue 45 and name c1')
(residue 45 and name c2') (residue 45 and name c3') 2 -25 20 2
assign (residue 45 and name c1') (residue 45 and name c2')
(residue 45 and name c3') (residue 45 and name c4') 2 36 15 2
assign (residue 45 and name c2') (residue 45 and name c3')
(residue 45 and name c4') (residue 45 and name o4') 2 -36 15 2
assign (residue 46 and name c4') (residue 46 and name o4')
(residue 46 and name c1') (residue 46 and name c2') 2 0 15 2
assign (residue 46 and name o4') (residue 46 and name c1')
(residue 46 and name c2') (residue 46 and name c3') 2 -25 20 2
assign (residue 46 and name c1') (residue 46 and name c2')
(residue 46 and name c3') (residue 46 and name c4') 2 36 15 2
assign (residue 46 and name c2') (residue 46 and name c3')
(residue 46 and name c4') (residue 46 and name o4') 2 -36 15 2
assign (residue 47 and name c4') (residue 47 and name o4')
(residue 47 and name c1') (residue 47 and name c2') 2 0 15 2
assign (residue 47 and name o4') (residue 47 and name c1')
(residue 47 and name c2') (residue 47 and name c3') 2 -25 20 2
assign (residue 47 and name c1') (residue 47 and name c2')
(residue 47 and name c3') (residue 47 and name c4') 2 36 15 2
assign (residue 47 and name c2') (residue 47 and name c3')
(residue 47 and name c4') (residue 47 and name o4') 2 -36 15 2
assign (residue 48 and name c4') (residue 48 and name o4')
(residue 48 and name c1') (residue 48 and name c2') 2 0 15 2
assign (residue 48 and name o4') (residue 48 and name c1')
(residue 48 and name c2') (residue 48 and name c3') 2 -25 20 2
assign (residue 48 and name c1') (residue 48 and name c2')
(residue 48 and name c3') (residue 48 and name c4') 2 36 15 2
assign (residue 48 and name c2') (residue 48 and name c3')
(residue 48 and name c4') (residue 48 and name o4') 2 -36 15 2
assign (residue 49 and name c4') (residue 49 and name o4')
(residue 49 and name c1') (residue 49 and name c2') 2 0 15 2
assign (residue 49 and name o4') (residue 49 and name c1')
(residue 49 and name c2') (residue 49 and name c3') 2 -25 20 2
assign (residue 49 and name c1') (residue 49 and name c2')
(residue 49 and name c3') (residue 49 and name c4') 2 36 15 2
assign (residue 49 and name c2') (residue 49 and name c3')
(residue 49 and name c4') (residue 49 and name o4') 2 -36 15 2
assign (residue 50 and name c4') (residue 50 and name o4')
(residue 50 and name c1') (residue 50 and name c2') 2 0 15 2
assign (residue 50 and name o4') (residue 50 and name c1')
(residue 50 and name c2') (residue 50 and name c3') 2 -25 20 2
assign (residue 50 and name c1') (residue 50 and name c2')
(residue 50 and name c3') (residue 50 and name c4') 2 36 15 2
assign (residue 50 and name c2') (residue 50 and name c3')
(residue 50 and name c4') (residue 50 and name o4') 2 -36 15 2
assign (residue 51 and name c4') (residue 51 and name o4')
(residue 51 and name c1') (residue 51 and name c2') 2 0 15 2
assign (residue 51 and name o4') (residue 51 and name c1')
(residue 51 and name c2') (residue 51 and name c3') 2 -25 20 2
assign (residue 51 and name c1') (residue 51 and name c2')
(residue 51 and name c3') (residue 51 and name c4') 2 36 15 2
assign (residue 51 and name c2') (residue 51 and name c3')
(residue 51 and name c4') (residue 51 and name o4') 2 -36 15 2
assign (residue 52 and name c4') (residue 52 and name o4')
(residue 52 and name c1') (residue 52 and name c2') 2 0 15 2
assign (residue 52 and name o4') (residue 52 and name c1')
(residue 52 and name c2') (residue 52 and name c3') 2 -25 20 2
assign (residue 52 and name c1') (residue 52 and name c2')
(residue 52 and name c3') (residue 52 and name c4') 2 36 15 2
assign (residue 52 and name c2') (residue 52 and name c3')
(residue 52 and name c4') (residue 52 and name o4') 2 -36 15 2
{assign (residue 53 and name c4') (residue 53 and name o4')
(residue 53 and name c1') (residue 53 and name c2') 2 0 15 2
assign (residue 53 and name o4') (residue 53 and name c1')
(residue 53 and name c2') (residue 53 and name c3') 2 -25 20 2
assign (residue 53 and name c1') (residue 53 and name c2')
(residue 53 and name c3') (residue 53 and name c4') 2 36 15 2
assign (residue 53 and name c2') (residue 53 and name c3')
(residue 53 and name c4') (residue 53 and name o4') 2 -36 15 2} {mod5 shows mixed}
assign (residue 53 and name c4') (residue 53 and name o4')
(residue 53 and name c1') (residue 53 and name c2') 2 -20 20 2
assign (residue 53 and name o4') (residue 53 and name c1')
(residue 53 and name c2') (residue 53 and name c3') 2 15 25 2
assign (residue 53 and name c1') (residue 53 and name c2')
(residue 53 and name c3') (residue 53 and name c4') 2 0 35 2
assign (residue 53 and name c2') (residue 53 and name c3')
(residue 53 and name c4') (residue 53 and name o4') 2 0 40 2
{Beta: assume all A-form, i.e. trans
residues 1-18 and 25-42}
assign (residue 16 and name p) (residue 16 and name o5')
(residue 16 and name c5') (residue 16 and name c4') 2 180 30 2
assign (residue 17 and name p) (residue 17 and name o5')
(residue 17 and name c5') (residue 17 and name c4') 2 180 30 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
assign (residue 27 and name p) (residue 27 and name o5')
(residue 27 and name c5') (residue 27 and name c4') 2 180 30 2
assign (residue 28 and name p) (residue 28 and name o5')
(residue 28 and name c5') (residue 28 and name c4') 2 180 30 2
assign (residue 29 and name p) (residue 29 and name o5')
(residue 29 and name c5') (residue 29 and name c4') 2 180 30 2
assign (residue 30 and name p) (residue 30 and name o5')
(residue 30 and name c5') (residue 30 and name c4') 2 180 30 2
assign (residue 31 and name p) (residue 31 and name o5')
(residue 31 and name c5') (residue 31 and name c4') 2 180 30 2
assign (residue 38 and name p) (residue 38 and name o5')
(residue 38 and name c5') (residue 38 and name c4') 2 180 30 2
assign (residue 39 and name p) (residue 39 and name o5')
(residue 39 and name c5') (residue 39 and name c4') 2 180 30 2
assign (residue 40 and name p) (residue 40 and name o5')
(residue 40 and name c5') (residue 40 and name c4') 2 180 30 2
assign (residue 41 and name p) (residue 41 and name o5')
(residue 41 and name c5') (residue 41 and name c4') 2 180 30 2
assign (residue 42 and name p) (residue 42 and name o5')
(residue 42 and name c5') (residue 42 and name c4') 2 180 30 2
assign (residue 43 and name p) (residue 43 and name o5')
(residue 43 and name c5') (residue 43 and name c4') 2 180 30 2
assign (residue 44 and name p) (residue 44 and name o5')
(residue 44 and name c5') (residue 44 and name c4') 2 180 30 2
assign (residue 45 and name p) (residue 45 and name o5')
(residue 45 and name c5') (residue 45 and name c4') 2 180 30 2
assign (residue 46 and name p) (residue 46 and name o5')
(residue 46 and name c5') (residue 46 and name c4') 2 180 30 2
assign (residue 47 and name p) (residue 47 and name o5')
(residue 47 and name c5') (residue 47 and name c4') 2 180 30 2
assign (residue 48 and name p) (residue 48 and name o5')
(residue 48 and name c5') (residue 48 and name c4') 2 180 30 2
assign (residue 49 and name p) (residue 49 and name o5')
(residue 49 and name c5') (residue 49 and name c4') 2 180 30 2
assign (residue 50 and name p) (residue 50 and name o5')
(residue 50 and name c5') (residue 50 and name c4') 2 180 30 2
assign (residue 51 and name p) (residue 51 and name o5')
(residue 51 and name c5') (residue 51 and name c4') 2 180 30 2
assign (residue 52 and name p) (residue 52 and name o5')
(residue 52 and name c5') (residue 52 and name c4') 2 180 30 2
assign (residue 53 and name p) (residue 53 and name o5')
(residue 53 and name c5') (residue 53 and name c4') 2 180 30 2
{Gamma: assume A-form helicity: gauche+
residue 1-18 and 25-42}
assign (residue 16 and name o5') (residue 16 and name c5')
(residue 16 and name c4') (residue 16 and name c3') 2 55 30 2
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
assign (residue 27 and name o5') (residue 27 and name c5')
(residue 27 and name c4') (residue 27 and name c3') 2 55 30 2
assign (residue 28 and name o5') (residue 28 and name c5')
(residue 28 and name c4') (residue 28 and name c3') 2 55 30 2
assign (residue 29 and name o5') (residue 29 and name c5')
(residue 29 and name c4') (residue 29 and name c3') 2 55 30 2
assign (residue 30 and name o5') (residue 30 and name c5')
(residue 30 and name c4') (residue 30 and name c3') 2 55 30 2
assign (residue 31 and name o5') (residue 31 and name c5')
(residue 31 and name c4') (residue 31 and name c3') 2 55 30 2
assign (residue 38 and name o5') (residue 38 and name c5')
(residue 38 and name c4') (residue 38 and name c3') 2 55 30 2
assign (residue 39 and name o5') (residue 39 and name c5')
(residue 39 and name c4') (residue 39 and name c3') 2 55 30 2
assign (residue 40 and name o5') (residue 40 and name c5')
(residue 40 and name c4') (residue 40 and name c3') 2 55 30 2
assign (residue 41 and name o5') (residue 41 and name c5')
(residue 41 and name c4') (residue 41 and name c3') 2 55 30 2
assign (residue 42 and name o5') (residue 42 and name c5')
(residue 42 and name c4') (residue 42 and name c3') 2 55 30 2
assign (residue 43 and name o5') (residue 43 and name c5')
(residue 43 and name c4') (residue 43 and name c3') 2 55 30 2
assign (residue 44 and name o5') (residue 44 and name c5')
(residue 44 and name c4') (residue 44 and name c3') 2 55 30 2
assign (residue 45 and name o5') (residue 45 and name c5')
(residue 45 and name c4') (residue 45 and name c3') 2 55 30 2
assign (residue 46 and name o5') (residue 46 and name c5')
(residue 46 and name c4') (residue 46 and name c3') 2 55 30 2
assign (residue 47 and name o5') (residue 47 and name c5')
(residue 47 and name c4') (residue 47 and name c3') 2 55 30 2
assign (residue 48 and name o5') (residue 48 and name c5')
(residue 48 and name c4') (residue 48 and name c3') 2 55 30 2
assign (residue 49 and name o5') (residue 49 and name c5')
(residue 49 and name c4') (residue 49 and name c3') 2 55 30 2
assign (residue 50 and name o5') (residue 50 and name c5')
(residue 50 and name c4') (residue 50 and name c3') 2 55 30 2
assign (residue 51 and name o5') (residue 51 and name c5')
(residue 51 and name c4') (residue 51 and name c3') 2 55 30 2
assign (residue 52 and name o5') (residue 52 and name c5')
(residue 52 and name c4') (residue 52 and name c3') 2 55 30 2
assign (residue 53 and name o5') (residue 53 and name c5')
(residue 53 and name c4') (residue 53 and name c3') 2 55 30 2
{Epsilon: assume A-form helicity: trans
residue 1-18 and 25-42}
assign (residue 16 and name c4') (residue 16 and name c3')
(residue 16 and name o3') (residue 17 and name p) 2 -155 30 2
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
assign (residue 27 and name c4') (residue 27 and name c3')
(residue 27 and name o3') (residue 28 and name p) 2 -155 30 2
assign (residue 28 and name c4') (residue 28 and name c3')
(residue 28 and name o3') (residue 29 and name p) 2 -155 30 2
assign (residue 29 and name c4') (residue 29 and name c3')
(residue 29 and name o3') (residue 30 and name p) 2 -155 30 2
assign (residue 30 and name c4') (residue 30 and name c3')
(residue 30 and name o3') (residue 31 and name p) 2 -155 30 2
assign (residue 31 and name c4') (residue 31 and name c3')
(residue 31 and name o3') (residue 32 and name p) 2 -155 30 2
assign (residue 38 and name c4') (residue 38 and name c3')
(residue 38 and name o3') (residue 39 and name p) 2 -155 30 2
assign (residue 39 and name c4') (residue 39 and name c3')
(residue 39 and name o3') (residue 40 and name p) 2 -155 30 2
assign (residue 40 and name c4') (residue 40 and name c3')
(residue 40 and name o3') (residue 41 and name p) 2 -155 30 2
assign (residue 41 and name c4') (residue 41 and name c3')
(residue 41 and name o3') (residue 42 and name p) 2 -155 30 2
assign (residue 42 and name c4') (residue 42 and name c3')
(residue 42 and name o3') (residue 43 and name p) 2 -155 30 2
assign (residue 43 and name c4') (residue 43 and name c3')
(residue 43 and name o3') (residue 44 and name p) 2 -155 30 2
assign (residue 44 and name c4') (residue 44 and name c3')
(residue 44 and name o3') (residue 45 and name p) 2 -155 30 2
assign (residue 45 and name c4') (residue 45 and name c3')
(residue 45 and name o3') (residue 46 and name p) 2 -155 30 2
assign (residue 46 and name c4') (residue 46 and name c3')
(residue 46 and name o3') (residue 47 and name p) 2 -155 30 2
assign (residue 47 and name c4') (residue 47 and name c3')
(residue 47 and name o3') (residue 48 and name p) 2 -155 30 2
assign (residue 48 and name c4') (residue 48 and name c3')
(residue 48 and name o3') (residue 49 and name p) 2 -155 30 2
assign (residue 49 and name c4') (residue 49 and name c3')
(residue 49 and name o3') (residue 50 and name p) 2 -155 30 2
assign (residue 50 and name c4') (residue 50 and name c3')
(residue 50 and name o3') (residue 51 and name p) 2 -155 30 2
assign (residue 51 and name c4') (residue 51 and name c3')
(residue 51 and name o3') (residue 52 and name p) 2 -155 30 2
assign (residue 52 and name c4') (residue 52 and name c3')
(residue 52 and name o3') (residue 53 and name p) 2 -155 30 2
assign (residue 53 and name c4') (residue 53 and name c3')
(residue 53 and name o3') (residue 54 and name p) 2 -155 30 2
{Chi for unpaired residues - assume A-form based on NOE pattern}
assign (residue 19 and name O4') (residue 19 and name C1')
(residue 19 and name N9) (residue 19 and name C4) 1 -165.0 60 2
assign (residue 27 and name O4') (residue 27 and name C1')
(residue 27 and name N1) (residue 27 and name C2) 1 -165.0 60 2
assign (residue 28 and name O4') (residue 28 and name C1')
(residue 28 and name N1) (residue 28 and name C2) 1 -165.0 60 2
assign (residue 41 and name O4') (residue 41 and name C1')
(residue 41 and name N1) (residue 41 and name C2) 1 -165.0 60 2
assign (residue 42 and name O4') (residue 42 and name C1')
(residue 42 and name N1) (residue 42 and name C2) 1 -165.0 60 2
assign (residue 43 and name O4') (residue 43 and name C1')
(residue 43 and name N1) (residue 43 and name C2) 1 -165.0 60 2
assign (residue 44 and name O4') (residue 44 and name C1')
(residue 44 and name N1) (residue 44 and name C2) 1 -165.0 60 2
assign (residue 50 and name O4') (residue 50 and name C1')
(residue 50 and name N1) (residue 50 and name C2) 1 -165.0 60 2
assign (residue 51 and name O4') (residue 51 and name C1')
(residue 51 and name N1) (residue 51 and name C2) 1 -165.0 60 2
{Mod 5}
{Tetraloop Torsion angles residue 19-24}
{delta}
assign (residue 32 and name c4') (residue 32 and name o4')
(residue 32 and name c1') (residue 32 and name c2') 2 0 15 2
assign (residue 32 and name o4') (residue 32 and name c1')
(residue 32 and name c2') (residue 32 and name c3') 2 -25 20 2
assign (residue 32 and name c1') (residue 32 and name c2')
(residue 32 and name c3') (residue 32 and name c4') 2 36 15 2
assign (residue 32 and name c2') (residue 32 and name c3')
(residue 32 and name c4') (residue 32 and name o4') 2 -36 15 2
assign (residue 33 and name c4') (residue 33 and name o4')
(residue 33 and name c1') (residue 33 and name c2') 2 0 15 2
assign (residue 33 and name o4') (residue 33 and name c1')
(residue 33 and name c2') (residue 33 and name c3') 2 -25 20 2
assign (residue 33 and name c1') (residue 33 and name c2')
(residue 33 and name c3') (residue 33 and name c4') 2 36 15 2
assign (residue 33 and name c2') (residue 33 and name c3')
(residue 33 and name c4') (residue 33 and name o4') 2 -36 15 2
assign (residue 34 and name c4') (residue 34 and name o4')
(residue 34 and name c1') (residue 34 and name c2') 2 -18 15 2
assign (residue 34 and name o4') (residue 34 and name c1')
(residue 34 and name c2') (residue 34 and name c3') 2 34 15 2
assign (residue 34 and name c1') (residue 34 and name c2')
(residue 34 and name c3') (residue 34 and name c4') 2 -37 15 2
assign (residue 34 and name c2') (residue 34 and name c3')
(residue 34 and name c4') (residue 34 and name o4') 2 26 15 2
assign (residue 35 and name c4') (residue 35 and name o4')
(residue 35 and name c1') (residue 35 and name c2') 2 -18 15 2
assign (residue 35 and name o4') (residue 35 and name c1')
(residue 35 and name c2') (residue 35 and name c3') 2 34 15 2
assign (residue 35 and name c1') (residue 35 and name c2')
(residue 35 and name c3') (residue 35 and name c4') 2 -37 15 2
assign (residue 35 and name c2') (residue 35 and name c3')
(residue 35 and name c4') (residue 35 and name o4') 2 26 15 2
assign (residue 36 and name c4') (residue 36 and name o4')
(residue 36 and name c1') (residue 36 and name c2') 2 0 15 2
assign (residue 36 and name o4') (residue 36 and name c1')
(residue 36 and name c2') (residue 36 and name c3') 2 -25 20 2
assign (residue 36 and name c1') (residue 36 and name c2')
(residue 36 and name c3') (residue 36 and name c4') 2 36 15 2
assign (residue 36 and name c2') (residue 36 and name c3')
(residue 36 and name c4') (residue 36 and name o4') 2 -36 15 2
assign (residue 37 and name c4') (residue 37 and name o4')
(residue 37 and name c1') (residue 37 and name c2') 2 0 15 2
assign (residue 37 and name o4') (residue 37 and name c1')
(residue 37 and name c2') (residue 37 and name c3') 2 -25 20 2
assign (residue 37 and name c1') (residue 37 and name c2')
(residue 37 and name c3') (residue 37 and name c4') 2 36 15 2
assign (residue 37 and name c2') (residue 37 and name c3')
(residue 37 and name c4') (residue 37 and name o4') 2 -36 15 2
{beta}
assign (residue 32 and name p) (residue 32 and name o5')
(residue 32 and name c5') (residue 32 and name c4') 2 180 30 2
assign (residue 33 and name p) (residue 33 and name o5')
(residue 33 and name c5') (residue 33 and name c4') 2 180 30 2
assign (residue 34 and name p) (residue 34 and name o5')
(residue 34 and name c5') (residue 34 and name c4') 2 180 60 2
assign (residue 35 and name p) (residue 35 and name o5')
(residue 35 and name c5') (residue 35 and name c4') 2 180 60 2
assign (residue 36 and name p) (residue 36 and name o5')
(residue 36 and name c5') (residue 36 and name c4') 2 180 30 2
assign (residue 37 and name p) (residue 37 and name o5')
(residue 37 and name c5') (residue 37 and name c4') 2 180 30 2
{gamma}
assign (residue 32 and name o5') (residue 32 and name c5')
(residue 32 and name c4') (residue 32 and name c3') 2 55 30 2
assign (residue 33 and name o5') (residue 33 and name c5')
(residue 33 and name c4') (residue 33 and name c3') 2 55 30 2
assign (residue 34 and name o5') (residue 34 and name c5')
(residue 34 and name c4') (residue 34 and name c3') 2 55 30 2
assign (residue 35 and name o5') (residue 35 and name c5')
(residue 35 and name c4') (residue 35 and name c3') 2 55 30 2
assign (residue 36 and name o5') (residue 36 and name c5')
(residue 36 and name c4') (residue 36 and name c3') 2 -155 30 2
assign (residue 37 and name o5') (residue 37 and name c5')
(residue 37 and name c4') (residue 37 and name c3') 2 55 30 2
{epsilon}
assign (residue 32 and name c4') (residue 32 and name c3')
(residue 32 and name o3') (residue 33 and name p) 2 -155 30 2
assign (residue 33 and name c4') (residue 33 and name c3')
(residue 33 and name o3') (residue 34 and name p) 2 -155 30 2
assign (residue 34 and name c4') (residue 34 and name c3')
(residue 34 and name o3') (residue 35 and name p) 2 -90 60 2
assign (residue 35 and name c4') (residue 35 and name c3')
(residue 35 and name o3') (residue 36 and name p) 2 -90 60 2
assign (residue 36 and name c4') (residue 36 and name c3')
(residue 36 and name o3') (residue 37 and name p) 2 -155 30 2
assign (residue 37 and name c4') (residue 37 and name c3')
(residue 37 and name o3') (residue 38 and name p) 2 -155 30 2
{alpha from 14mer}
assign (residue 32 and name o3') (residue 33 and name p)
(residue 33 and name o5') (residue 33 and name c5') 1 -85 25 2
assign (residue 33 and name o3') (residue 34 and name p)
(residue 34 and name o5') (residue 34 and name c5') 1 197 50 2
assign (residue 34 and name o3') (residue 35 and name p)
(residue 35 and name o5') (residue 35 and name c5') 1 -74 30 2
assign (residue 35 and name o3') (residue 36 and name p)
(residue 36 and name o5') (residue 36 and name c5') 1 60 50 2
assign (residue 36 and name o3') (residue 37 and name p)
(residue 37 and name o5') (residue 37 and name c5') 1 -94 25 2
{zeta from 14mer}
assign (residue 32 and name c3?) (residue 32 and name o3')
(residue 33 and name p) (residue 33 and name o5) 1 -66 30 2
assign (residue 33 and name c3?) (residue 33 and name o3')
(residue 34 and name p) (residue 34 and name o5) 1 -100 30 2
assign (residue 34 and name c3?) (residue 34 and name o3')
(residue 35 and name p) (residue 35 and name o5) 1 -48 30 2
assign (residue 35 and name c3?) (residue 35 and name o3')
(residue 36 and name p) (residue 36 and name o5) 1 100 60 2
assign (residue 36 and name c3?) (residue 36 and name o3')
(residue 37 and name p) (residue 37 and name o5) 1 -46 30 2
{Delta: from DQF-COSY and TOCSY
3'endo: residue 1-15, 22-36}
assign (residue 1 and name c4') (residue 1 and name o4')
(residue 1 and name c1') (residue 1 and name c2') 2 0 15 2
assign (residue 1 and name o4') (residue 1 and name c1')
(residue 1 and name c2') (residue 1 and name c3') 2 -25 20 2
assign (residue 1 and name c1') (residue 1 and name c2')
(residue 1 and name c3') (residue 1 and name c4') 2 36 15 2
assign (residue 1 and name c2') (residue 1 and name c3')
(residue 1 and name c4') (residue 1 and name o4') 2 -36 15 2
assign (residue 2 and name c4') (residue 2 and name o4')
(residue 2 and name c1') (residue 2 and name c2') 2 0 15 2
assign (residue 2 and name o4') (residue 2 and name c1')
(residue 2 and name c2') (residue 2 and name c3') 2 -25 20 2
assign (residue 2 and name c1') (residue 2 and name c2')
(residue 2 and name c3') (residue 2 and name c4') 2 36 15 2
assign (residue 2 and name c2') (residue 2 and name c3')
(residue 2 and name c4') (residue 2 and name o4') 2 -36 15 2
assign (residue 3 and name c4') (residue 3 and name o4')
(residue 3 and name c1') (residue 3 and name c2') 2 0 15 2
assign (residue 3 and name o4') (residue 3 and name c1')
(residue 3 and name c2') (residue 3 and name c3') 2 -25 20 2
assign (residue 3 and name c1') (residue 3 and name c2')
(residue 3 and name c3') (residue 3 and name c4') 2 36 15 2
assign (residue 3 and name c2') (residue 3 and name c3')
(residue 3 and name c4') (residue 3 and name o4') 2 -36 15 2
assign (residue 4 and name c4') (residue 4 and name o4')
(residue 4 and name c1') (residue 4 and name c2') 2 0 15 2
assign (residue 4 and name o4') (residue 4 and name c1')
(residue 4 and name c2') (residue 4 and name c3') 2 -25 20 2
assign (residue 4 and name c1') (residue 4 and name c2')
(residue 4 and name c3') (residue 4 and name c4') 2 36 15 2
assign (residue 4 and name c2') (residue 4 and name c3')
(residue 4 and name c4') (residue 4 and name o4') 2 -36 15 2
assign (residue 5 and name c4') (residue 5 and name o4')
(residue 5 and name c1') (residue 5 and name c2') 2 0 15 2
assign (residue 5 and name o4') (residue 5 and name c1')
(residue 5 and name c2') (residue 5 and name c3') 2 -25 20 2
assign (residue 5 and name c1') (residue 5 and name c2')
(residue 5 and name c3') (residue 5 and name c4') 2 36 15 2
assign (residue 5 and name c2') (residue 5 and name c3')
(residue 5 and name c4') (residue 5 and name o4') 2 -36 15 2
assign (residue 6 and name c4') (residue 6 and name o4')
(residue 6 and name c1') (residue 6 and name c2') 2 0 15 2
assign (residue 6 and name o4') (residue 6 and name c1')
(residue 6 and name c2') (residue 6 and name c3') 2 -25 20 2
assign (residue 6 and name c1') (residue 6 and name c2')
(residue 6 and name c3') (residue 6 and name c4') 2 36 15 2
assign (residue 6 and name c2') (residue 6 and name c3')
(residue 6 and name c4') (residue 6 and name o4') 2 -36 15 2
assign (residue 7 and name c4') (residue 7 and name o4')
(residue 7 and name c1') (residue 7 and name c2') 2 0 15 2
assign (residue 7 and name o4') (residue 7 and name c1')
(residue 7 and name c2') (residue 7 and name c3') 2 -25 20 2
assign (residue 7 and name c1') (residue 7 and name c2')
(residue 7 and name c3') (residue 7 and name c4') 2 36 15 2
assign (residue 7 and name c2') (residue 7 and name c3')
(residue 7 and name c4') (residue 7 and name o4') 2 -36 15 2
assign (residue 8 and name c4') (residue 8 and name o4')
(residue 8 and name c1') (residue 8 and name c2') 2 0 15 2
assign (residue 8 and name o4') (residue 8 and name c1')
(residue 8 and name c2') (residue 8 and name c3') 2 -25 20 2
assign (residue 8 and name c1') (residue 8 and name c2')
(residue 8 and name c3') (residue 8 and name c4') 2 36 15 2
assign (residue 8 and name c2') (residue 8 and name c3')
(residue 8 and name c4') (residue 8 and name o4') 2 -36 15 2
assign (residue 9 and name c4') (residue 9 and name o4')
(residue 9 and name c1') (residue 9 and name c2') 2 0 15 2
assign (residue 9 and name o4') (residue 9 and name c1')
(residue 9 and name c2') (residue 9 and name c3') 2 -25 20 2
assign (residue 9 and name c1') (residue 9 and name c2')
(residue 9 and name c3') (residue 9 and name c4') 2 36 15 2
assign (residue 9 and name c2') (residue 9 and name c3')
(residue 9 and name c4') (residue 9 and name o4') 2 -36 15 2
assign (residue 10 and name c4') (residue 10 and name o4')
(residue 10 and name c1') (residue 10 and name c2') 2 0 15 2
assign (residue 10 and name o4') (residue 10 and name c1')
(residue 10 and name c2') (residue 10 and name c3') 2 -25 20 2
assign (residue 10 and name c1') (residue 10 and name c2')
(residue 10 and name c3') (residue 10 and name c4') 2 36 15 2
assign (residue 10 and name c2') (residue 10 and name c3')
(residue 10 and name c4') (residue 10 and name o4') 2 -36 15 2
assign (residue 11 and name c4') (residue 11 and name o4')
(residue 11 and name c1') (residue 11 and name c2') 2 0 15 2
assign (residue 11 and name o4') (residue 11 and name c1')
(residue 11 and name c2') (residue 11 and name c3') 2 -25 20 2
assign (residue 11 and name c1') (residue 11 and name c2')
(residue 11 and name c3') (residue 11 and name c4') 2 36 15 2
assign (residue 11 and name c2') (residue 11 and name c3')
(residue 11 and name c4') (residue 11 and name o4') 2 -36 15 2
assign (residue 12 and name c4') (residue 12 and name o4')
(residue 12 and name c1') (residue 12 and name c2') 2 0 15 2
assign (residue 12 and name o4') (residue 12 and name c1')
(residue 12 and name c2') (residue 12 and name c3') 2 -25 20 2
assign (residue 12 and name c1') (residue 12 and name c2')
(residue 12 and name c3') (residue 12 and name c4') 2 36 15 2
assign (residue 12 and name c2') (residue 12 and name c3')
(residue 12 and name c4') (residue 12 and name o4') 2 -36 15 2
assign (residue 13 and name c4') (residue 13 and name o4')
(residue 13 and name c1') (residue 13 and name c2') 2 0 15 2
assign (residue 13 and name o4') (residue 13 and name c1')
(residue 13 and name c2') (residue 13 and name c3') 2 -25 20 2
assign (residue 13 and name c1') (residue 13 and name c2')
(residue 13 and name c3') (residue 13 and name c4') 2 36 15 2
assign (residue 13 and name c2') (residue 13 and name c3')
(residue 13 and name c4') (residue 13 and name o4') 2 -36 15 2
assign (residue 14 and name c4') (residue 14 and name o4')
(residue 14 and name c1') (residue 14 and name c2') 2 0 15 2
assign (residue 14 and name o4') (residue 14 and name c1')
(residue 14 and name c2') (residue 14 and name c3') 2 -25 20 2
assign (residue 14 and name c1') (residue 14 and name c2')
(residue 14 and name c3') (residue 14 and name c4') 2 36 15 2
assign (residue 14 and name c2') (residue 14 and name c3')
(residue 14 and name c4') (residue 14 and name o4') 2 -36 15 2
assign (residue 15 and name c4') (residue 15 and name o4')
(residue 15 and name c1') (residue 15 and name c2') 2 0 15 2
assign (residue 15 and name o4') (residue 15 and name c1')
(residue 15 and name c2') (residue 15 and name c3') 2 -25 20 2
assign (residue 15 and name c1') (residue 15 and name c2')
(residue 15 and name c3') (residue 15 and name c4') 2 36 15 2
assign (residue 15 and name c2') (residue 15 and name c3')
(residue 15 and name c4') (residue 15 and name o4') 2 -36 15 2
assign (residue 54 and name c4') (residue 54 and name o4')
(residue 54 and name c1') (residue 54 and name c2') 2 0 15 2
assign (residue 54 and name o4') (residue 54 and name c1')
(residue 54 and name c2') (residue 54 and name c3') 2 -25 20 2
assign (residue 54 and name c1') (residue 54 and name c2')
(residue 54 and name c3') (residue 54 and name c4') 2 36 15 2
assign (residue 54 and name c2') (residue 54 and name c3')
(residue 54 and name c4') (residue 54 and name o4') 2 -36 15 2
assign (residue 55 and name c4') (residue 55 and name o4')
(residue 55 and name c1') (residue 55 and name c2') 2 0 15 2
assign (residue 55 and name o4') (residue 55 and name c1')
(residue 55 and name c2') (residue 55 and name c3') 2 -25 20 2
assign (residue 55 and name c1') (residue 55 and name c2')
(residue 55 and name c3') (residue 55 and name c4') 2 36 15 2
assign (residue 55 and name c2') (residue 55 and name c3')
(residue 55 and name c4') (residue 55 and name o4') 2 -36 15 2
assign (residue 56 and name c4') (residue 56 and name o4')
(residue 56 and name c1') (residue 56 and name c2') 2 0 15 2
assign (residue 56 and name o4') (residue 56 and name c1')
(residue 56 and name c2') (residue 56 and name c3') 2 -25 20 2
assign (residue 56 and name c1') (residue 56 and name c2')
(residue 56 and name c3') (residue 56 and name c4') 2 36 15 2
assign (residue 56 and name c2') (residue 56 and name c3')
(residue 56 and name c4') (residue 56 and name o4') 2 -36 15 2
assign (residue 57 and name c4') (residue 57 and name o4')
(residue 57 and name c1') (residue 57 and name c2') 2 0 15 2
assign (residue 57 and name o4') (residue 57 and name c1')
(residue 57 and name c2') (residue 57 and name c3') 2 -25 20 2
assign (residue 57 and name c1') (residue 57 and name c2')
(residue 57 and name c3') (residue 57 and name c4') 2 36 15 2
assign (residue 57 and name c2') (residue 57 and name c3')
(residue 57 and name c4') (residue 57 and name o4') 2 -36 15 2
assign (residue 58 and name c4') (residue 58 and name o4')
(residue 58 and name c1') (residue 58 and name c2') 2 0 15 2
assign (residue 58 and name o4') (residue 58 and name c1')
(residue 58 and name c2') (residue 58 and name c3') 2 -25 20 2
assign (residue 58 and name c1') (residue 58 and name c2')
(residue 58 and name c3') (residue 58 and name c4') 2 36 15 2
assign (residue 58 and name c2') (residue 58 and name c3')
(residue 58 and name c4') (residue 58 and name o4') 2 -36 15 2
assign (residue 59 and name c4') (residue 59 and name o4')
(residue 59 and name c1') (residue 59 and name c2') 2 0 15 2
assign (residue 59 and name o4') (residue 59 and name c1')
(residue 59 and name c2') (residue 59 and name c3') 2 -25 20 2
assign (residue 59 and name c1') (residue 59 and name c2')
(residue 59 and name c3') (residue 59 and name c4') 2 36 15 2
assign (residue 59 and name c2') (residue 59 and name c3')
(residue 59 and name c4') (residue 59 and name o4') 2 -36 15 2
assign (residue 60 and name c4') (residue 60 and name o4')
(residue 60 and name c1') (residue 60 and name c2') 2 0 15 2
assign (residue 60 and name o4') (residue 60 and name c1')
(residue 60 and name c2') (residue 60 and name c3') 2 -25 20 2
assign (residue 60 and name c1') (residue 60 and name c2')
(residue 60 and name c3') (residue 60 and name c4') 2 36 15 2
assign (residue 60 and name c2') (residue 60 and name c3')
(residue 60 and name c4') (residue 60 and name o4') 2 -36 15 2
assign (residue 61 and name c4') (residue 61 and name o4')
(residue 61 and name c1') (residue 61 and name c2') 2 0 15 2
assign (residue 61 and name o4') (residue 61 and name c1')
(residue 61 and name c2') (residue 61 and name c3') 2 -25 20 2
assign (residue 61 and name c1') (residue 61 and name c2')
(residue 61 and name c3') (residue 61 and name c4') 2 36 15 2
assign (residue 61 and name c2') (residue 61 and name c3')
(residue 61 and name c4') (residue 61 and name o4') 2 -36 15 2
assign (residue 62 and name c4') (residue 62 and name o4')
(residue 62 and name c1') (residue 62 and name c2') 2 0 15 2
assign (residue 62 and name o4') (residue 62 and name c1')
(residue 62 and name c2') (residue 62 and name c3') 2 -25 20 2
assign (residue 62 and name c1') (residue 62 and name c2')
(residue 62 and name c3') (residue 62 and name c4') 2 36 15 2
assign (residue 62 and name c2') (residue 62 and name c3')
(residue 62 and name c4') (residue 62 and name o4') 2 -36 15 2
assign (residue 63 and name c4') (residue 63 and name o4')
(residue 63 and name c1') (residue 63 and name c2') 2 0 15 2
assign (residue 63 and name o4') (residue 63 and name c1')
(residue 63 and name c2') (residue 63 and name c3') 2 -25 20 2
assign (residue 63 and name c1') (residue 63 and name c2')
(residue 63 and name c3') (residue 63 and name c4') 2 36 15 2
assign (residue 63 and name c2') (residue 63 and name c3')
(residue 63 and name c4') (residue 63 and name o4') 2 -36 15 2
assign (residue 64 and name c4') (residue 64 and name o4')
(residue 64 and name c1') (residue 64 and name c2') 2 0 15 2
assign (residue 64 and name o4') (residue 64 and name c1')
(residue 64 and name c2') (residue 64 and name c3') 2 -25 20 2
assign (residue 64 and name c1') (residue 64 and name c2')
(residue 64 and name c3') (residue 64 and name c4') 2 36 15 2
assign (residue 64 and name c2') (residue 64 and name c3')
(residue 64 and name c4') (residue 64 and name o4') 2 -36 15 2
assign (residue 65 and name c4') (residue 65 and name o4')
(residue 65 and name c1') (residue 65 and name c2') 2 0 15 2
assign (residue 65 and name o4') (residue 65 and name c1')
(residue 65 and name c2') (residue 65 and name c3') 2 -25 20 2
assign (residue 65 and name c1') (residue 65 and name c2')
(residue 65 and name c3') (residue 65 and name c4') 2 36 15 2
assign (residue 65 and name c2') (residue 65 and name c3')
(residue 65 and name c4') (residue 65 and name o4') 2 -36 15 2
assign (residue 66 and name c4') (residue 66 and name o4')
(residue 66 and name c1') (residue 66 and name c2') 2 0 15 2
assign (residue 66 and name o4') (residue 66 and name c1')
(residue 66 and name c2') (residue 66 and name c3') 2 -25 20 2
assign (residue 66 and name c1') (residue 66 and name c2')
(residue 66 and name c3') (residue 66 and name c4') 2 36 15 2
assign (residue 66 and name c2') (residue 66 and name c3')
(residue 66 and name c4') (residue 66 and name o4') 2 -36 15 2
assign (residue 67 and name c4') (residue 67 and name o4')
(residue 67 and name c1') (residue 67 and name c2') 2 0 15 2
assign (residue 67 and name o4') (residue 67 and name c1')
(residue 67 and name c2') (residue 67 and name c3') 2 -25 20 2
assign (residue 67 and name c1') (residue 67 and name c2')
(residue 67 and name c3') (residue 67 and name c4') 2 36 15 2
assign (residue 67 and name c2') (residue 67 and name c3')
(residue 67 and name c4') (residue 67 and name o4') 2 -36 15 2
assign (residue 68 and name c4') (residue 68 and name o4')
(residue 68 and name c1') (residue 68 and name c2') 2 0 15 2
assign (residue 68 and name o4') (residue 68 and name c1')
(residue 68 and name c2') (residue 68 and name c3') 2 -25 20 2
assign (residue 68 and name c1') (residue 68 and name c2')
(residue 68 and name c3') (residue 68 and name c4') 2 36 15 2
assign (residue 68 and name c2') (residue 68 and name c3')
(residue 68 and name c4') (residue 68 and name o4') 2 -36 15 2
{Beta: assume all A-form, i.e. trans
residues 1-14 and 22-36}
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
assign (residue 5 and name p) (residue 5 and name o5')
(residue 5 and name c5') (residue 5 and name c4') 2 180 30 2
assign (residue 6 and name p) (residue 6 and name o5')
(residue 6 and name c5') (residue 6 and name c4') 2 180 30 2
assign (residue 7 and name p) (residue 7 and name o5')
(residue 7 and name c5') (residue 7 and name c4') 2 180 30 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
assign (residue 12 and name p) (residue 12 and name o5')
(residue 12 and name c5') (residue 12 and name c4') 2 180 30 2
assign (residue 13 and name p) (residue 13 and name o5')
(residue 13 and name c5') (residue 13 and name c4') 2 180 30 2
assign (residue 14 and name p) (residue 14 and name o5')
(residue 14 and name c5') (residue 14 and name c4') 2 180 30 2
assign (residue 15 and name p) (residue 15 and name o5')
(residue 15 and name c5') (residue 15 and name c4') 2 180 30 2
assign (residue 54 and name p) (residue 54 and name o5')
(residue 54 and name c5') (residue 54 and name c4') 2 180 30 2
assign (residue 55 and name p) (residue 55 and name o5')
(residue 55 and name c5') (residue 55 and name c4') 2 180 30 2
assign (residue 56 and name p) (residue 56 and name o5')
(residue 56 and name c5') (residue 56 and name c4') 2 180 30 2
assign (residue 57 and name p) (residue 57 and name o5')
(residue 57 and name c5') (residue 57 and name c4') 2 180 30 2
assign (residue 58 and name p) (residue 58 and name o5')
(residue 58 and name c5') (residue 58 and name c4') 2 180 30 2
assign (residue 59 and name p) (residue 59 and name o5')
(residue 59 and name c5') (residue 59 and name c4') 2 180 30 2
assign (residue 60 and name p) (residue 60 and name o5')
(residue 60 and name c5') (residue 60 and name c4') 2 180 30 2
assign (residue 61 and name p) (residue 61 and name o5')
(residue 61 and name c5') (residue 61 and name c4') 2 180 30 2
assign (residue 62 and name p) (residue 62 and name o5')
(residue 62 and name c5') (residue 62 and name c4') 2 180 30 2
assign (residue 63 and name p) (residue 63 and name o5')
(residue 63 and name c5') (residue 63 and name c4') 2 180 30 2
assign (residue 64 and name p) (residue 64 and name o5')
(residue 64 and name c5') (residue 64 and name c4') 2 180 30 2
assign (residue 65 and name p) (residue 65 and name o5')
(residue 65 and name c5') (residue 65 and name c4') 2 180 30 2
assign (residue 66 and name p) (residue 66 and name o5')
(residue 66 and name c5') (residue 66 and name c4') 2 180 30 2
assign (residue 67 and name p) (residue 67 and name o5')
(residue 67 and name c5') (residue 67 and name c4') 2 180 30 2
assign (residue 68 and name p) (residue 68 and name o5')
(residue 68 and name c5') (residue 68 and name c4') 2 180 30 2
{Gamma: assume A-form helicity: gauche+
residue 1-14 and 22-36}
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
assign (residue 5 and name o5') (residue 5 and name c5')
(residue 5 and name c4') (residue 5 and name c3') 2 55 30 2
assign (residue 6 and name o5') (residue 6 and name c5')
(residue 6 and name c4') (residue 6 and name c3') 2 55 30 2
assign (residue 7 and name o5') (residue 7 and name c5')
(residue 7 and name c4') (residue 7 and name c3') 2 55 30 2
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
assign (residue 12 and name o5') (residue 12 and name c5')
(residue 12 and name c4') (residue 12 and name c3') 2 55 30 2
assign (residue 13 and name o5') (residue 13 and name c5')
(residue 13 and name c4') (residue 13 and name c3') 2 55 30 2
assign (residue 14 and name o5') (residue 14 and name c5')
(residue 14 and name c4') (residue 14 and name c3') 2 55 30 2
assign (residue 15 and name o5') (residue 15 and name c5')
(residue 15 and name c4') (residue 15 and name c3') 2 55 30 2
assign (residue 54 and name o5') (residue 54 and name c5')
(residue 54 and name c4') (residue 54 and name c3') 2 55 30 2
assign (residue 55 and name o5') (residue 55 and name c5')
(residue 55 and name c4') (residue 55 and name c3') 2 55 30 2
assign (residue 56 and name o5') (residue 56 and name c5')
(residue 56 and name c4') (residue 56 and name c3') 2 55 30 2
assign (residue 57 and name o5') (residue 57 and name c5')
(residue 57 and name c4') (residue 57 and name c3') 2 55 30 2
assign (residue 58 and name o5') (residue 58 and name c5')
(residue 58 and name c4') (residue 58 and name c3') 2 55 30 2
assign (residue 59 and name o5') (residue 59 and name c5')
(residue 59 and name c4') (residue 59 and name c3') 2 55 30 2
assign (residue 60 and name o5') (residue 60 and name c5')
(residue 60 and name c4') (residue 60 and name c3') 2 55 30 2
assign (residue 61 and name o5') (residue 61 and name c5')
(residue 61 and name c4') (residue 61 and name c3') 2 55 30 2
assign (residue 62 and name o5') (residue 62 and name c5')
(residue 62 and name c4') (residue 62 and name c3') 2 55 30 2
assign (residue 63 and name o5') (residue 63 and name c5')
(residue 63 and name c4') (residue 63 and name c3') 2 55 30 2
assign (residue 64 and name o5') (residue 64 and name c5')
(residue 64 and name c4') (residue 64 and name c3') 2 55 30 2
assign (residue 65 and name o5') (residue 65 and name c5')
(residue 65 and name c4') (residue 65 and name c3') 2 55 30 2
assign (residue 66 and name o5') (residue 66 and name c5')
(residue 66 and name c4') (residue 66 and name c3') 2 55 30 2
assign (residue 67 and name o5') (residue 67 and name c5')
(residue 67 and name c4') (residue 67 and name c3') 2 55 30 2
assign (residue 68 and name o5') (residue 68 and name c5')
(residue 68 and name c4') (residue 68 and name c3') 2 55 30 2
{Epsilon: assume A-form helicity: trans
residue 1-14 and 22-36}
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
assign (residue 5 and name c4') (residue 5 and name c3')
(residue 5 and name o3') (residue 6 and name p) 2 -155 30 2
assign (residue 6 and name c4') (residue 6 and name c3')
(residue 6 and name o3') (residue 7 and name p) 2 -155 30 2
assign (residue 7 and name c4') (residue 7 and name c3')
(residue 7 and name o3') (residue 8 and name p) 2 -155 30 2
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
assign (residue 12 and name c4') (residue 12 and name c3')
(residue 12 and name o3') (residue 13 and name p) 2 -155 30 2
assign (residue 13 and name c4') (residue 13 and name c3')
(residue 13 and name o3') (residue 14 and name p) 2 -155 30 2
assign (residue 14 and name c4') (residue 14 and name c3')
(residue 14 and name o3') (residue 15 and name p) 2 -155 30 2
assign (residue 15 and name c4') (residue 15 and name c3')
(residue 15 and name o3') (residue 16 and name p) 2 -155 30 2
assign (residue 54 and name c4') (residue 54 and name c3')
(residue 54 and name o3') (residue 55 and name p) 2 -155 30 2
assign (residue 55 and name c4') (residue 55 and name c3')
(residue 55 and name o3') (residue 56 and name p) 2 -155 30 2
assign (residue 56 and name c4') (residue 56 and name c3')
(residue 56 and name o3') (residue 57 and name p) 2 -155 30 2
assign (residue 57 and name c4') (residue 57 and name c3')
(residue 57 and name o3') (residue 58 and name p) 2 -155 30 2
assign (residue 58 and name c4') (residue 58 and name c3')
(residue 58 and name o3') (residue 59 and name p) 2 -155 30 2
assign (residue 59 and name c4') (residue 59 and name c3')
(residue 59 and name o3') (residue 60 and name p) 2 -155 30 2
assign (residue 60 and name c4') (residue 60 and name c3')
(residue 60 and name o3') (residue 61 and name p) 2 -155 30 2
assign (residue 61 and name c4') (residue 61 and name c3')
(residue 61 and name o3') (residue 62 and name p) 2 -155 30 2
assign (residue 62 and name c4') (residue 62 and name c3')
(residue 62 and name o3') (residue 63 and name p) 2 -155 30 2
assign (residue 63 and name c4') (residue 63 and name c3')
(residue 63 and name o3') (residue 64 and name p) 2 -155 30 2
assign (residue 64 and name c4') (residue 64 and name c3')
(residue 64 and name o3') (residue 65 and name p) 2 -155 30 2
assign (residue 65 and name c4') (residue 65 and name c3')
(residue 65 and name o3') (residue 66 and name p) 2 -155 30 2
assign (residue 66 and name c4') (residue 66 and name c3')
(residue 66 and name o3') (residue 67 and name p) 2 -155 30 2
assign (residue 67 and name c4') (residue 67 and name c3')
(residue 67 and name o3') (residue 68 and name p) 2 -155 30 2
{keep aminos 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 3 and name h62) (residue 3 and name n6)
(residue 3 and name c2) (residue 3 and name n3) 10 0 5 2
assign (residue 4 and name h62) (residue 4 and name n6)
(residue 4 and name c2) (residue 4 and name n3) 10 0 5 2
assign (residue 8 and name h62) (residue 8 and name n6)
(residue 8 and name c2) (residue 8 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 11 and name h62) (residue 11 and name n6)
(residue 11 and name c2) (residue 11 and name n3) 10 0 5 2
assign (residue 12 and name h22) (residue 12 and name n2)
(residue 12 and name c2) (residue 12 and name n3) 10 0 5 2
assign (residue 14 and name h62) (residue 14 and name n6)
(residue 14 and name c2) (residue 14 and name n3) 10 0 5 2
assign (residue 15 and name h42) (residue 15 and name n4)
(residue 15 and name c2) (residue 15 and name n3) 10 0 5 2
assign (residue 54 and name h62) (residue 54 and name n6)
(residue 54 and name c2) (residue 54 and name n3) 10 0 5 2
assign (residue 56 and name h62) (residue 56 and name n6)
(residue 56 and name c2) (residue 56 and name n3) 10 0 5 2
assign (residue 57 and name h42) (residue 57 and name n4)
(residue 57 and name c2) (residue 57 and name n3) 10 0 5 2
assign (residue 60 and name h62) (residue 60 and name n6)
(residue 60 and name c2) (residue 60 and name n3) 10 0 5 2
assign (residue 62 and name h62) (residue 62 and name n6)
(residue 62 and name c2) (residue 62 and name n3) 10 0 5 2
assign (residue 63 and name h22) (residue 63 and name n2)
(residue 63 and name c2) (residue 63 and name n3) 10 0 5 2
assign (residue 64 and name h62) (residue 64 and name n6)
(residue 64 and name c2) (residue 64 and name n3) 10 0 5 2
assign (residue 67 and name h42) (residue 67 and name n4)
(residue 67 and name c2) (residue 67 and name n3) 10 0 5 2
assign (residue 68 and name h42) (residue 68 and name n4)
(residue 68 and name c2) (residue 68 and name n3) 10 0 5 2}
{Delta: from DQF-COSY and TOCSY
3?endo: residue 1-4,6-18, 25-29, 32-42; mixed: 5, 30, 31}
{assign (residue 16 and name c4') (residue 16 and name o4')
(residue 16 and name c1') (residue 16 and name c2') 2 0 15 2
assign (residue 16 and name o4') (residue 16 and name c1')
(residue 16 and name c2') (residue 16 and name c3') 2 -25 20 2
assign (residue 16 and name c1') (residue 16 and name c2')
(residue 16 and name c3') (residue 16 and name c4') 2 36 15 2
assign (residue 16 and name c2') (residue 16 and name c3')
(residue 16 and name c4') (residue 16 and name o4') 2 -36 15 2} {mod5 shows mixed}
assign (residue 16 and name c4') (residue 16 and name o4')
(residue 16 and name c1') (residue 16 and name c2') 2 -20 20 2
assign (residue 16 and name o4') (residue 16 and name c1')
(residue 16 and name c2') (residue 16 and name c3') 2 15 25 2
assign (residue 16 and name c1') (residue 16 and name c2')
(residue 16 and name c3') (residue 16 and name c4') 2 0 35 2
assign (residue 16 and name c2') (residue 16 and name c3')
(residue 16 and name c4') (residue 16 and name o4') 2 0 40 2
{assign (residue 17 and name c4') (residue 17 and name o4')
(residue 17 and name c1') (residue 17 and name c2') 2 0 15 2
assign (residue 17 and name o4') (residue 17 and name c1')
(residue 17 and name c2') (residue 17 and name c3') 2 -25 20 2
assign (residue 17 and name c1') (residue 17 and name c2')
(residue 17 and name c3') (residue 17 and name c4') 2 36 15 2
assign (residue 17 and name c2') (residue 17 and name c3')
(residue 17 and name c4') (residue 17 and name o4') 2 -36 15 2} {mod5 shows mixed}
assign (residue 17 and name c4') (residue 17 and name o4')
(residue 17 and name c1') (residue 17 and name c2') 2 -20 20 2
assign (residue 17 and name o4') (residue 17 and name c1')
(residue 17 and name c2') (residue 17 and name c3') 2 15 25 2
assign (residue 17 and name c1') (residue 17 and name c2')
(residue 17 and name c3') (residue 17 and name c4') 2 0 35 2
assign (residue 17 and name c2') (residue 17 and name c3')
(residue 17 and name c4') (residue 17 and name o4') 2 0 40 2
{assign (residue 18 and name c4') (residue 18 and name o4')
(residue 18 and name c1') (residue 18 and name c2') 2 -20 20 2
assign (residue 18 and name o4') (residue 18 and name c1')
(residue 18 and name c2') (residue 18 and name c3') 2 15 25 2
assign (residue 18 and name c1') (residue 18 and name c2')
(residue 18 and name c3') (residue 18 and name c4') 2 0 35 2
assign (residue 18 and name c2') (residue 18 and name c3')
(residue 18 and name c4') (residue 18 and name o4') 2 0 40 2} {mod5 shows mixed}
assign (residue 18 and name c4') (residue 18 and name o4')
(residue 18 and name c1') (residue 18 and name c2') 2 -20 20 2
assign (residue 18 and name o4') (residue 18 and name c1')
(residue 18 and name c2') (residue 18 and name c3') 2 15 25 2
assign (residue 18 and name c1') (residue 18 and name c2')
(residue 18 and name c3') (residue 18 and name c4') 2 0 35 2
assign (residue 18 and name c2') (residue 18 and name c3')
(residue 18 and name c4') (residue 18 and name o4') 2 0 40 2
assign (residue 19 and name c4') (residue 19 and name o4')
(residue 19 and name c1') (residue 19 and name c2') 2 0 15 2
assign (residue 19 and name o4') (residue 19 and name c1')
(residue 19 and name c2') (residue 19 and name c3') 2 -25 20 2
assign (residue 19 and name c1') (residue 19 and name c2')
(residue 19 and name c3') (residue 19 and name c4') 2 36 15 2
assign (residue 19 and name c2') (residue 19 and name c3')
(residue 19 and name c4') (residue 19 and name o4') 2 -36 15 2
assign (residue 20 and name c4') (residue 20 and name o4')
(residue 20 and name c1') (residue 20 and name c2') 2 0 15 2
assign (residue 20 and name o4') (residue 20 and name c1')
(residue 20 and name c2') (residue 20 and name c3') 2 -25 20 2
assign (residue 20 and name c1') (residue 20 and name c2')
(residue 20 and name c3') (residue 20 and name c4') 2 36 15 2
assign (residue 20 and name c2') (residue 20 and name c3')
(residue 20 and name c4') (residue 20 and name o4') 2 -36 15 2
assign (residue 21 and name c4') (residue 21 and name o4')
(residue 21 and name c1') (residue 21 and name c2') 2 0 15 2
assign (residue 21 and name o4') (residue 21 and name c1')
(residue 21 and name c2') (residue 21 and name c3') 2 -25 20 2
assign (residue 21 and name c1') (residue 21 and name c2')
(residue 21 and name c3') (residue 21 and name c4') 2 36 15 2
assign (residue 21 and name c2') (residue 21 and name c3')
(residue 21 and name c4') (residue 21 and name o4') 2 -36 15 2
assign (residue 22 and name c4') (residue 22 and name o4')
(residue 22 and name c1') (residue 22 and name c2') 2 0 15 2
assign (residue 22 and name o4') (residue 22 and name c1')
(residue 22 and name c2') (residue 22 and name c3') 2 -25 20 2
assign (residue 22 and name c1') (residue 22 and name c2')
(residue 22 and name c3') (residue 22 and name c4') 2 36 15 2
assign (residue 22 and name c2') (residue 22 and name c3')
(residue 22 and name c4') (residue 22 and name o4') 2 -36 15 2
assign (residue 23 and name c4') (residue 23 and name o4')
(residue 23 and name c1') (residue 23 and name c2') 2 0 15 2
assign (residue 23 and name o4') (residue 23 and name c1')
(residue 23 and name c2') (residue 23 and name c3') 2 -25 20 2
assign (residue 23 and name c1') (residue 23 and name c2')
(residue 23 and name c3') (residue 23 and name c4') 2 36 15 2
assign (residue 23 and name c2') (residue 23 and name c3')
(residue 23 and name c4') (residue 23 and name o4') 2 -36 15 2
assign (residue 24 and name c4') (residue 24 and name o4')
(residue 24 and name c1') (residue 24 and name c2') 2 0 15 2
assign (residue 24 and name o4') (residue 24 and name c1')
(residue 24 and name c2') (residue 24 and name c3') 2 -25 20 2
assign (residue 24 and name c1') (residue 24 and name c2')
(residue 24 and name c3') (residue 24 and name c4') 2 36 15 2
assign (residue 24 and name c2') (residue 24 and name c3')
(residue 24 and name c4') (residue 24 and name o4') 2 -36 15 2
assign (residue 25 and name c4') (residue 25 and name o4')
(residue 25 and name c1') (residue 25 and name c2') 2 0 15 2
assign (residue 25 and name o4') (residue 25 and name c1')
(residue 25 and name c2') (residue 25 and name c3') 2 -25 20 2
assign (residue 25 and name c1') (residue 25 and name c2')
(residue 25 and name c3') (residue 25 and name c4') 2 36 15 2
assign (residue 25 and name c2') (residue 25 and name c3')
(residue 25 and name c4') (residue 25 and name o4') 2 -36 15 2
assign (residue 26 and name c4') (residue 26 and name o4')
(residue 26 and name c1') (residue 26 and name c2') 2 0 15 2
assign (residue 26 and name o4') (residue 26 and name c1')
(residue 26 and name c2') (residue 26 and name c3') 2 -25 20 2
assign (residue 26 and name c1') (residue 26 and name c2')
(residue 26 and name c3') (residue 26 and name c4') 2 36 15 2
assign (residue 26 and name c2') (residue 26 and name c3')
(residue 26 and name c4') (residue 26 and name o4') 2 -36 15 2
assign (residue 27 and name c4') (residue 27 and name o4')
(residue 27 and name c1') (residue 27 and name c2') 2 0 15 2
assign (residue 27 and name o4') (residue 27 and name c1')
(residue 27 and name c2') (residue 27 and name c3') 2 -25 20 2
assign (residue 27 and name c1') (residue 27 and name c2')
(residue 27 and name c3') (residue 27 and name c4') 2 36 15 2
assign (residue 27 and name c2') (residue 27 and name c3')
(residue 27 and name c4') (residue 27 and name o4') 2 -36 15 2
assign (residue 28 and name c4') (residue 28 and name o4')
(residue 28 and name c1') (residue 28 and name c2') 2 0 15 2
assign (residue 28 and name o4') (residue 28 and name c1')
(residue 28 and name c2') (residue 28 and name c3') 2 -25 20 2
assign (residue 28 and name c1') (residue 28 and name c2')
(residue 28 and name c3') (residue 28 and name c4') 2 36 15 2
assign (residue 28 and name c2') (residue 28 and name c3')
(residue 28 and name c4') (residue 28 and name o4') 2 -36 15 2
assign (residue 29 and name c4') (residue 29 and name o4')
(residue 29 and name c1') (residue 29 and name c2') 2 0 15 2
assign (residue 29 and name o4') (residue 29 and name c1')
(residue 29 and name c2') (residue 29 and name c3') 2 -25 20 2
assign (residue 29 and name c1') (residue 29 and name c2')
(residue 29 and name c3') (residue 29 and name c4') 2 36 15 2
assign (residue 29 and name c2') (residue 29 and name c3')
(residue 29 and name c4') (residue 29 and name o4') 2 -36 15 2
assign (residue 30 and name c4') (residue 30 and name o4')
(residue 30 and name c1') (residue 30 and name c2') 2 0 15 2
assign (residue 30 and name o4') (residue 30 and name c1')
(residue 30 and name c2') (residue 30 and name c3') 2 -25 20 2
assign (residue 30 and name c1') (residue 30 and name c2')
(residue 30 and name c3') (residue 30 and name c4') 2 36 15 2
assign (residue 30 and name c2') (residue 30 and name c3')
(residue 30 and name c4') (residue 30 and name o4') 2 -36 15 2
assign (residue 31 and name c4') (residue 31 and name o4')
(residue 31 and name c1') (residue 31 and name c2') 2 0 15 2
assign (residue 31 and name o4') (residue 31 and name c1')
(residue 31 and name c2') (residue 31 and name c3') 2 -25 20 2
assign (residue 31 and name c1') (residue 31 and name c2')
(residue 31 and name c3') (residue 31 and name c4') 2 36 15 2
assign (residue 31 and name c2') (residue 31 and name c3')
(residue 31 and name c4') (residue 31 and name o4') 2 -36 15 2
assign (residue 38 and name c4') (residue 38 and name o4')
(residue 38 and name c1') (residue 38 and name c2') 2 0 15 2
assign (residue 38 and name o4') (residue 38 and name c1')
(residue 38 and name c2') (residue 38 and name c3') 2 -25 20 2
assign (residue 38 and name c1') (residue 38 and name c2')
(residue 38 and name c3') (residue 38 and name c4') 2 36 15 2
assign (residue 38 and name c2') (residue 38 and name c3')
(residue 38 and name c4') (residue 38 and name o4') 2 -36 15 2
assign (residue 39 and name c4') (residue 39 and name o4')
(residue 39 and name c1') (residue 39 and name c2') 2 0 15 2
assign (residue 39 and name o4') (residue 39 and name c1')
(residue 39 and name c2') (residue 39 and name c3') 2 -25 20 2
assign (residue 39 and name c1') (residue 39 and name c2')
(residue 39 and name c3') (residue 39 and name c4') 2 36 15 2
assign (residue 39 and name c2') (residue 39 and name c3')
(residue 39 and name c4') (residue 39 and name o4') 2 -36 15 2
assign (residue 40 and name c4') (residue 40 and name o4')
(residue 40 and name c1') (residue 40 and name c2') 2 0 15 2
assign (residue 40 and name o4') (residue 40 and name c1')
(residue 40 and name c2') (residue 40 and name c3') 2 -25 20 2
assign (residue 40 and name c1') (residue 40 and name c2')
(residue 40 and name c3') (residue 40 and name c4') 2 36 15 2
assign (residue 40 and name c2') (residue 40 and name c3')
(residue 40 and name c4') (residue 40 and name o4') 2 -36 15 2
assign (residue 41 and name c4') (residue 41 and name o4')
(residue 41 and name c1') (residue 41 and name c2') 2 0 15 2
assign (residue 41 and name o4') (residue 41 and name c1')
(residue 41 and name c2') (residue 41 and name c3') 2 -25 20 2
assign (residue 41 and name c1') (residue 41 and name c2')
(residue 41 and name c3') (residue 41 and name c4') 2 36 15 2
assign (residue 41 and name c2') (residue 41 and name c3')
(residue 41 and name c4') (residue 41 and name o4') 2 -36 15 2
assign (residue 42 and name c4') (residue 42 and name o4')
(residue 42 and name c1') (residue 42 and name c2') 2 0 15 2
assign (residue 42 and name o4') (residue 42 and name c1')
(residue 42 and name c2') (residue 42 and name c3') 2 -25 20 2
assign (residue 42 and name c1') (residue 42 and name c2')
(residue 42 and name c3') (residue 42 and name c4') 2 36 15 2
assign (residue 42 and name c2') (residue 42 and name c3')
(residue 42 and name c4') (residue 42 and name o4') 2 -36 15 2
assign (residue 43 and name c4') (residue 43 and name o4')
(residue 43 and name c1') (residue 43 and name c2') 2 -20 20 2
assign (residue 43 and name o4') (residue 43 and name c1')
(residue 43 and name c2') (residue 43 and name c3') 2 15 25 2
assign (residue 43 and name c1') (residue 43 and name c2')
(residue 43 and name c3') (residue 43 and name c4') 2 0 35 2
assign (residue 43 and name c2') (residue 43 and name c3')
(residue 43 and name c4') (residue 43 and name o4') 2 0 40 2
assign (residue 44 and name c4') (residue 44 and name o4')
(residue 44 and name c1') (residue 44 and name c2') 2 -20 20 2
assign (residue 44 and name o4') (residue 44 and name c1')
(residue 44 and name c2') (residue 44 and name c3') 2 15 25 2
assign (residue 44 and name c1') (residue 44 and name c2')
(residue 44 and name c3') (residue 44 and name c4') 2 0 35 2
assign (residue 44 and name c2') (residue 44 and name c3')
(residue 44 and name c4') (residue 44 and name o4') 2 0 40 2
assign (residue 45 and name c4') (residue 45 and name o4')
(residue 45 and name c1') (residue 45 and name c2') 2 0 15 2
assign (residue 45 and name o4') (residue 45 and name c1')
(residue 45 and name c2') (residue 45 and name c3') 2 -25 20 2
assign (residue 45 and name c1') (residue 45 and name c2')
(residue 45 and name c3') (residue 45 and name c4') 2 36 15 2
assign (residue 45 and name c2') (residue 45 and name c3')
(residue 45 and name c4') (residue 45 and name o4') 2 -36 15 2
assign (residue 46 and name c4') (residue 46 and name o4')
(residue 46 and name c1') (residue 46 and name c2') 2 0 15 2
assign (residue 46 and name o4') (residue 46 and name c1')
(residue 46 and name c2') (residue 46 and name c3') 2 -25 20 2
assign (residue 46 and name c1') (residue 46 and name c2')
(residue 46 and name c3') (residue 46 and name c4') 2 36 15 2
assign (residue 46 and name c2') (residue 46 and name c3')
(residue 46 and name c4') (residue 46 and name o4') 2 -36 15 2
assign (residue 47 and name c4') (residue 47 and name o4')
(residue 47 and name c1') (residue 47 and name c2') 2 0 15 2
assign (residue 47 and name o4') (residue 47 and name c1')
(residue 47 and name c2') (residue 47 and name c3') 2 -25 20 2
assign (residue 47 and name c1') (residue 47 and name c2')
(residue 47 and name c3') (residue 47 and name c4') 2 36 15 2
assign (residue 47 and name c2') (residue 47 and name c3')
(residue 47 and name c4') (residue 47 and name o4') 2 -36 15 2
assign (residue 48 and name c4') (residue 48 and name o4')
(residue 48 and name c1') (residue 48 and name c2') 2 0 15 2
assign (residue 48 and name o4') (residue 48 and name c1')
(residue 48 and name c2') (residue 48 and name c3') 2 -25 20 2
assign (residue 48 and name c1') (residue 48 and name c2')
(residue 48 and name c3') (residue 48 and name c4') 2 36 15 2
assign (residue 48 and name c2') (residue 48 and name c3')
(residue 48 and name c4') (residue 48 and name o4') 2 -36 15 2
assign (residue 49 and name c4') (residue 49 and name o4')
(residue 49 and name c1') (residue 49 and name c2') 2 0 15 2
assign (residue 49 and name o4') (residue 49 and name c1')
(residue 49 and name c2') (residue 49 and name c3') 2 -25 20 2
assign (residue 49 and name c1') (residue 49 and name c2')
(residue 49 and name c3') (residue 49 and name c4') 2 36 15 2
assign (residue 49 and name c2') (residue 49 and name c3')
(residue 49 and name c4') (residue 49 and name o4') 2 -36 15 2
assign (residue 50 and name c4') (residue 50 and name o4')
(residue 50 and name c1') (residue 50 and name c2') 2 0 15 2
assign (residue 50 and name o4') (residue 50 and name c1')
(residue 50 and name c2') (residue 50 and name c3') 2 -25 20 2
assign (residue 50 and name c1') (residue 50 and name c2')
(residue 50 and name c3') (residue 50 and name c4') 2 36 15 2
assign (residue 50 and name c2') (residue 50 and name c3')
(residue 50 and name c4') (residue 50 and name o4') 2 -36 15 2
assign (residue 51 and name c4') (residue 51 and name o4')
(residue 51 and name c1') (residue 51 and name c2') 2 0 15 2
assign (residue 51 and name o4') (residue 51 and name c1')
(residue 51 and name c2') (residue 51 and name c3') 2 -25 20 2
assign (residue 51 and name c1') (residue 51 and name c2')
(residue 51 and name c3') (residue 51 and name c4') 2 36 15 2
assign (residue 51 and name c2') (residue 51 and name c3')
(residue 51 and name c4') (residue 51 and name o4') 2 -36 15 2
assign (residue 52 and name c4') (residue 52 and name o4')
(residue 52 and name c1') (residue 52 and name c2') 2 0 15 2
assign (residue 52 and name o4') (residue 52 and name c1')
(residue 52 and name c2') (residue 52 and name c3') 2 -25 20 2
assign (residue 52 and name c1') (residue 52 and name c2')
(residue 52 and name c3') (residue 52 and name c4') 2 36 15 2
assign (residue 52 and name c2') (residue 52 and name c3')
(residue 52 and name c4') (residue 52 and name o4') 2 -36 15 2
{assign (residue 53 and name c4') (residue 53 and name o4')
(residue 53 and name c1') (residue 53 and name c2') 2 0 15 2
assign (residue 53 and name o4') (residue 53 and name c1')
(residue 53 and name c2') (residue 53 and name c3') 2 -25 20 2
assign (residue 53 and name c1') (residue 53 and name c2')
(residue 53 and name c3') (residue 53 and name c4') 2 36 15 2
assign (residue 53 and name c2') (residue 53 and name c3')
(residue 53 and name c4') (residue 53 and name o4') 2 -36 15 2} {mod5 shows mixed}
assign (residue 53 and name c4') (residue 53 and name o4')
(residue 53 and name c1') (residue 53 and name c2') 2 -20 20 2
assign (residue 53 and name o4') (residue 53 and name c1')
(residue 53 and name c2') (residue 53 and name c3') 2 15 25 2
assign (residue 53 and name c1') (residue 53 and name c2')
(residue 53 and name c3') (residue 53 and name c4') 2 0 35 2
assign (residue 53 and name c2') (residue 53 and name c3')
(residue 53 and name c4') (residue 53 and name o4') 2 0 40 2
{Beta: assume all A-form, i.e. trans
residues 1-18 and 25-42}
assign (residue 16 and name p) (residue 16 and name o5')
(residue 16 and name c5') (residue 16 and name c4') 2 180 30 2
assign (residue 17 and name p) (residue 17 and name o5')
(residue 17 and name c5') (residue 17 and name c4') 2 180 30 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
assign (residue 27 and name p) (residue 27 and name o5')
(residue 27 and name c5') (residue 27 and name c4') 2 180 30 2
assign (residue 28 and name p) (residue 28 and name o5')
(residue 28 and name c5') (residue 28 and name c4') 2 180 30 2
assign (residue 29 and name p) (residue 29 and name o5')
(residue 29 and name c5') (residue 29 and name c4') 2 180 30 2
assign (residue 30 and name p) (residue 30 and name o5')
(residue 30 and name c5') (residue 30 and name c4') 2 180 30 2
assign (residue 31 and name p) (residue 31 and name o5')
(residue 31 and name c5') (residue 31 and name c4') 2 180 30 2
assign (residue 38 and name p) (residue 38 and name o5')
(residue 38 and name c5') (residue 38 and name c4') 2 180 30 2
assign (residue 39 and name p) (residue 39 and name o5')
(residue 39 and name c5') (residue 39 and name c4') 2 180 30 2
assign (residue 40 and name p) (residue 40 and name o5')
(residue 40 and name c5') (residue 40 and name c4') 2 180 30 2
assign (residue 41 and name p) (residue 41 and name o5')
(residue 41 and name c5') (residue 41 and name c4') 2 180 30 2
assign (residue 42 and name p) (residue 42 and name o5')
(residue 42 and name c5') (residue 42 and name c4') 2 180 30 2
assign (residue 43 and name p) (residue 43 and name o5')
(residue 43 and name c5') (residue 43 and name c4') 2 180 30 2
assign (residue 44 and name p) (residue 44 and name o5')
(residue 44 and name c5') (residue 44 and name c4') 2 180 30 2
assign (residue 45 and name p) (residue 45 and name o5')
(residue 45 and name c5') (residue 45 and name c4') 2 180 30 2
assign (residue 46 and name p) (residue 46 and name o5')
(residue 46 and name c5') (residue 46 and name c4') 2 180 30 2
assign (residue 47 and name p) (residue 47 and name o5')
(residue 47 and name c5') (residue 47 and name c4') 2 180 30 2
assign (residue 48 and name p) (residue 48 and name o5')
(residue 48 and name c5') (residue 48 and name c4') 2 180 30 2
assign (residue 49 and name p) (residue 49 and name o5')
(residue 49 and name c5') (residue 49 and name c4') 2 180 30 2
assign (residue 50 and name p) (residue 50 and name o5')
(residue 50 and name c5') (residue 50 and name c4') 2 180 30 2
assign (residue 51 and name p) (residue 51 and name o5')
(residue 51 and name c5') (residue 51 and name c4') 2 180 30 2
assign (residue 52 and name p) (residue 52 and name o5')
(residue 52 and name c5') (residue 52 and name c4') 2 180 30 2
assign (residue 53 and name p) (residue 53 and name o5')
(residue 53 and name c5') (residue 53 and name c4') 2 180 30 2
{Gamma: assume A-form helicity: gauche+
residue 1-18 and 25-42}
assign (residue 16 and name o5') (residue 16 and name c5')
(residue 16 and name c4') (residue 16 and name c3') 2 55 30 2
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
assign (residue 27 and name o5') (residue 27 and name c5')
(residue 27 and name c4') (residue 27 and name c3') 2 55 30 2
assign (residue 28 and name o5') (residue 28 and name c5')
(residue 28 and name c4') (residue 28 and name c3') 2 55 30 2
assign (residue 29 and name o5') (residue 29 and name c5')
(residue 29 and name c4') (residue 29 and name c3') 2 55 30 2
assign (residue 30 and name o5') (residue 30 and name c5')
(residue 30 and name c4') (residue 30 and name c3') 2 55 30 2
assign (residue 31 and name o5') (residue 31 and name c5')
(residue 31 and name c4') (residue 31 and name c3') 2 55 30 2
assign (residue 38 and name o5') (residue 38 and name c5')
(residue 38 and name c4') (residue 38 and name c3') 2 55 30 2
assign (residue 39 and name o5') (residue 39 and name c5')
(residue 39 and name c4') (residue 39 and name c3') 2 55 30 2
assign (residue 40 and name o5') (residue 40 and name c5')
(residue 40 and name c4') (residue 40 and name c3') 2 55 30 2
assign (residue 41 and name o5') (residue 41 and name c5')
(residue 41 and name c4') (residue 41 and name c3') 2 55 30 2
assign (residue 42 and name o5') (residue 42 and name c5')
(residue 42 and name c4') (residue 42 and name c3') 2 55 30 2
assign (residue 43 and name o5') (residue 43 and name c5')
(residue 43 and name c4') (residue 43 and name c3') 2 55 30 2
assign (residue 44 and name o5') (residue 44 and name c5')
(residue 44 and name c4') (residue 44 and name c3') 2 55 30 2
assign (residue 45 and name o5') (residue 45 and name c5')
(residue 45 and name c4') (residue 45 and name c3') 2 55 30 2
assign (residue 46 and name o5') (residue 46 and name c5')
(residue 46 and name c4') (residue 46 and name c3') 2 55 30 2
assign (residue 47 and name o5') (residue 47 and name c5')
(residue 47 and name c4') (residue 47 and name c3') 2 55 30 2
assign (residue 48 and name o5') (residue 48 and name c5')
(residue 48 and name c4') (residue 48 and name c3') 2 55 30 2
assign (residue 49 and name o5') (residue 49 and name c5')
(residue 49 and name c4') (residue 49 and name c3') 2 55 30 2
assign (residue 50 and name o5') (residue 50 and name c5')
(residue 50 and name c4') (residue 50 and name c3') 2 55 30 2
assign (residue 51 and name o5') (residue 51 and name c5')
(residue 51 and name c4') (residue 51 and name c3') 2 55 30 2
assign (residue 52 and name o5') (residue 52 and name c5')
(residue 52 and name c4') (residue 52 and name c3') 2 55 30 2
assign (residue 53 and name o5') (residue 53 and name c5')
(residue 53 and name c4') (residue 53 and name c3') 2 55 30 2
{Epsilon: assume A-form helicity: trans
residue 1-18 and 25-42}
assign (residue 16 and name c4') (residue 16 and name c3')
(residue 16 and name o3') (residue 17 and name p) 2 -155 30 2
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
assign (residue 27 and name c4') (residue 27 and name c3')
(residue 27 and name o3') (residue 28 and name p) 2 -155 30 2
assign (residue 28 and name c4') (residue 28 and name c3')
(residue 28 and name o3') (residue 29 and name p) 2 -155 30 2
assign (residue 29 and name c4') (residue 29 and name c3')
(residue 29 and name o3') (residue 30 and name p) 2 -155 30 2
assign (residue 30 and name c4') (residue 30 and name c3')
(residue 30 and name o3') (residue 31 and name p) 2 -155 30 2
assign (residue 31 and name c4') (residue 31 and name c3')
(residue 31 and name o3') (residue 32 and name p) 2 -155 30 2
assign (residue 38 and name c4') (residue 38 and name c3')
(residue 38 and name o3') (residue 39 and name p) 2 -155 30 2
assign (residue 39 and name c4') (residue 39 and name c3')
(residue 39 and name o3') (residue 40 and name p) 2 -155 30 2
assign (residue 40 and name c4') (residue 40 and name c3')
(residue 40 and name o3') (residue 41 and name p) 2 -155 30 2
assign (residue 41 and name c4') (residue 41 and name c3')
(residue 41 and name o3') (residue 42 and name p) 2 -155 30 2
assign (residue 42 and name c4') (residue 42 and name c3')
(residue 42 and name o3') (residue 43 and name p) 2 -155 30 2
assign (residue 43 and name c4') (residue 43 and name c3')
(residue 43 and name o3') (residue 44 and name p) 2 -155 30 2
assign (residue 44 and name c4') (residue 44 and name c3')
(residue 44 and name o3') (residue 45 and name p) 2 -155 30 2
assign (residue 45 and name c4') (residue 45 and name c3')
(residue 45 and name o3') (residue 46 and name p) 2 -155 30 2
assign (residue 46 and name c4') (residue 46 and name c3')
(residue 46 and name o3') (residue 47 and name p) 2 -155 30 2
assign (residue 47 and name c4') (residue 47 and name c3')
(residue 47 and name o3') (residue 48 and name p) 2 -155 30 2
assign (residue 48 and name c4') (residue 48 and name c3')
(residue 48 and name o3') (residue 49 and name p) 2 -155 30 2
assign (residue 49 and name c4') (residue 49 and name c3')
(residue 49 and name o3') (residue 50 and name p) 2 -155 30 2
assign (residue 50 and name c4') (residue 50 and name c3')
(residue 50 and name o3') (residue 51 and name p) 2 -155 30 2
assign (residue 51 and name c4') (residue 51 and name c3')
(residue 51 and name o3') (residue 52 and name p) 2 -155 30 2
assign (residue 52 and name c4') (residue 52 and name c3')
(residue 52 and name o3') (residue 53 and name p) 2 -155 30 2
assign (residue 53 and name c4') (residue 53 and name c3')
(residue 53 and name o3') (residue 54 and name p) 2 -155 30 2
{Chi for unpaired residues - assume A-form based on NOE pattern}
assign (residue 15 and name O4') (residue 15 and name C1')
(residue 15 and name N9) (residue 15 and name C4) 1 -165.0 60 2
assign (residue 16 and name O4') (residue 16 and name C1')
(residue 16 and name N9) (residue 16 and name C4) 1 -165.0 60 2
assign (residue 17 and name O4') (residue 17 and name C1')
(residue 17 and name N9) (residue 17 and name C4) 1 -165.0 60 2
assign (residue 19 and name O4') (residue 19 and name C1')
(residue 19 and name N9) (residue 19 and name C4) 1 -165.0 60 2
assign (residue 27 and name O4') (residue 27 and name C1')
(residue 27 and name N1) (residue 27 and name C2) 1 -165.0 60 2
assign (residue 28 and name O4') (residue 28 and name C1')
(residue 28 and name N1) (residue 28 and name C2) 1 -165.0 60 2
assign (residue 41 and name O4') (residue 41 and name C1')
(residue 41 and name N1) (residue 41 and name C2) 1 -165.0 60 2
assign (residue 42 and name O4') (residue 42 and name C1')
(residue 42 and name N1) (residue 42 and name C2) 1 -165.0 60 2
assign (residue 43 and name O4') (residue 43 and name C1')
(residue 43 and name N1) (residue 43 and name C2) 1 -165.0 60 2
assign (residue 44 and name O4') (residue 44 and name C1')
(residue 44 and name N1) (residue 44 and name C2) 1 -165.0 60 2
assign (residue 50 and name O4') (residue 50 and name C1')
(residue 50 and name N1) (residue 50 and name C2) 1 -165.0 60 2
assign (residue 51 and name O4') (residue 51 and name C1')
(residue 51 and name N1) (residue 51 and name C2) 1 -165.0 60 2
assign (residue 52 and name O4') (residue 52 and name C1')
(residue 52 and name N1) (residue 52 and name C2) 1 -165.0 60 2
assign (residue 53 and name O4') (residue 53 and name C1')
(residue 53 and name N1) (residue 53 and name C2) 1 -165.0 60 2
assign (residue 54 and name O4') (residue 54 and name C1')
(residue 54 and name N1) (residue 54 and name C2) 1 -165.0 60 2
{Mod 5}
{Tetraloop Torsion angles residue 19-24}
{delta}
assign (residue 32 and name c4') (residue 32 and name o4')
(residue 32 and name c1') (residue 32 and name c2') 2 0 15 2
assign (residue 32 and name o4') (residue 32 and name c1')
(residue 32 and name c2') (residue 32 and name c3') 2 -25 20 2
assign (residue 32 and name c1') (residue 32 and name c2')
(residue 32 and name c3') (residue 32 and name c4') 2 36 15 2
assign (residue 32 and name c2') (residue 32 and name c3')
(residue 32 and name c4') (residue 32 and name o4') 2 -36 15 2
assign (residue 33 and name c4') (residue 33 and name o4')
(residue 33 and name c1') (residue 33 and name c2') 2 0 15 2
assign (residue 33 and name o4') (residue 33 and name c1')
(residue 33 and name c2') (residue 33 and name c3') 2 -25 20 2
assign (residue 33 and name c1') (residue 33 and name c2')
(residue 33 and name c3') (residue 33 and name c4') 2 36 15 2
assign (residue 33 and name c2') (residue 33 and name c3')
(residue 33 and name c4') (residue 33 and name o4') 2 -36 15 2
assign (residue 34 and name c4') (residue 34 and name o4')
(residue 34 and name c1') (residue 34 and name c2') 2 -18 15 2
assign (residue 34 and name o4') (residue 34 and name c1')
(residue 34 and name c2') (residue 34 and name c3') 2 34 15 2
assign (residue 34 and name c1') (residue 34 and name c2')
(residue 34 and name c3') (residue 34 and name c4') 2 -37 15 2
assign (residue 34 and name c2') (residue 34 and name c3')
(residue 34 and name c4') (residue 34 and name o4') 2 26 15 2
assign (residue 35 and name c4') (residue 35 and name o4')
(residue 35 and name c1') (residue 35 and name c2') 2 -18 15 2
assign (residue 35 and name o4') (residue 35 and name c1')
(residue 35 and name c2') (residue 35 and name c3') 2 34 15 2
assign (residue 35 and name c1') (residue 35 and name c2')
(residue 35 and name c3') (residue 35 and name c4') 2 -37 15 2
assign (residue 35 and name c2') (residue 35 and name c3')
(residue 35 and name c4') (residue 35 and name o4') 2 26 15 2
assign (residue 36 and name c4') (residue 36 and name o4')
(residue 36 and name c1') (residue 36 and name c2') 2 0 15 2
assign (residue 36 and name o4') (residue 36 and name c1')
(residue 36 and name c2') (residue 36 and name c3') 2 -25 20 2
assign (residue 36 and name c1') (residue 36 and name c2')
(residue 36 and name c3') (residue 36 and name c4') 2 36 15 2
assign (residue 36 and name c2') (residue 36 and name c3')
(residue 36 and name c4') (residue 36 and name o4') 2 -36 15 2
assign (residue 37 and name c4') (residue 37 and name o4')
(residue 37 and name c1') (residue 37 and name c2') 2 0 15 2
assign (residue 37 and name o4') (residue 37 and name c1')
(residue 37 and name c2') (residue 37 and name c3') 2 -25 20 2
assign (residue 37 and name c1') (residue 37 and name c2')
(residue 37 and name c3') (residue 37 and name c4') 2 36 15 2
assign (residue 37 and name c2') (residue 37 and name c3')
(residue 37 and name c4') (residue 37 and name o4') 2 -36 15 2
{beta}
assign (residue 32 and name p) (residue 32 and name o5')
(residue 32 and name c5') (residue 32 and name c4') 2 180 30 2
assign (residue 33 and name p) (residue 33 and name o5')
(residue 33 and name c5') (residue 33 and name c4') 2 180 30 2
assign (residue 34 and name p) (residue 34 and name o5')
(residue 34 and name c5') (residue 34 and name c4') 2 180 60 2
assign (residue 35 and name p) (residue 35 and name o5')
(residue 35 and name c5') (residue 35 and name c4') 2 180 60 2
assign (residue 36 and name p) (residue 36 and name o5')
(residue 36 and name c5') (residue 36 and name c4') 2 180 30 2
assign (residue 37 and name p) (residue 37 and name o5')
(residue 37 and name c5') (residue 37 and name c4') 2 180 30 2
{gamma}
assign (residue 32 and name o5') (residue 32 and name c5')
(residue 32 and name c4') (residue 32 and name c3') 2 55 30 2
assign (residue 33 and name o5') (residue 33 and name c5')
(residue 33 and name c4') (residue 33 and name c3') 2 55 30 2
assign (residue 34 and name o5') (residue 34 and name c5')
(residue 34 and name c4') (residue 34 and name c3') 2 55 30 2
assign (residue 35 and name o5') (residue 35 and name c5')
(residue 35 and name c4') (residue 35 and name c3') 2 55 30 2
assign (residue 36 and name o5') (residue 36 and name c5')
(residue 36 and name c4') (residue 36 and name c3') 2 -155 30 2
assign (residue 37 and name o5') (residue 37 and name c5')
(residue 37 and name c4') (residue 37 and name c3') 2 55 30 2
{epsilon}
assign (residue 32 and name c4') (residue 32 and name c3')
(residue 32 and name o3') (residue 33 and name p) 2 -155 30 2
assign (residue 33 and name c4') (residue 33 and name c3')
(residue 33 and name o3') (residue 34 and name p) 2 -155 30 2
assign (residue 34 and name c4') (residue 34 and name c3')
(residue 34 and name o3') (residue 35 and name p) 2 -90 60 2
assign (residue 35 and name c4') (residue 35 and name c3')
(residue 35 and name o3') (residue 36 and name p) 2 -90 60 2
assign (residue 36 and name c4') (residue 36 and name c3')
(residue 36 and name o3') (residue 37 and name p) 2 -155 30 2
assign (residue 37 and name c4') (residue 37 and name c3')
(residue 37 and name o3') (residue 38 and name p) 2 -155 30 2
{alpha from 14mer}
assign (residue 32 and name o3') (residue 33 and name p)
(residue 33 and name o5') (residue 33 and name c5') 1 -85 25 2
assign (residue 33 and name o3') (residue 34 and name p)
(residue 34 and name o5') (residue 34 and name c5') 1 197 50 2
assign (residue 34 and name o3') (residue 35 and name p)
(residue 35 and name o5') (residue 35 and name c5') 1 -74 30 2
assign (residue 35 and name o3') (residue 36 and name p)
(residue 36 and name o5') (residue 36 and name c5') 1 60 50 2
assign (residue 36 and name o3') (residue 37 and name p)
(residue 37 and name o5') (residue 37 and name c5') 1 -94 25 2
{zeta from 14mer}
assign (residue 32 and name c3?) (residue 32 and name o3')
(residue 33 and name p) (residue 33 and name o5) 1 -66 30 2
assign (residue 33 and name c3?) (residue 33 and name o3')
(residue 34 and name p) (residue 34 and name o5) 1 -100 30 2
assign (residue 34 and name c3?) (residue 34 and name o3')
(residue 35 and name p) (residue 35 and name o5) 1 -48 30 2
assign (residue 35 and name c3?) (residue 35 and name o3')
(residue 36 and name p) (residue 36 and name o5) 1 100 60 2
assign (residue 36 and name c3?) (residue 36 and name o3')
(residue 37 and name p) (residue 37 and name o5) 1 -46 30 2
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