NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15085 |
1xhh   |
5565 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
remarks Cys2
assign (resid 2 and name HN )(resid 1 and name HA ) 2.00 0.20 0.80
assign (resid 2 and name HN )(resid 1 and name HB* ) 2.00 0.20 2.50
assign (resid 2 and name HN )(resid 2 and name HA ) 2.00 0.20 2.00
assign (resid 2 and name HN )(resid 2 and name HB* ) 2.00 0.20 2.00
assign (resid 2 and name HA )(resid 47 and name HA ) 2.00 0.20 0.50
assign (resid 2 and name HA )(resid 47 and name HB* ) 2.00 0.20 3.00
assign (resid 2 and name HA )(resid 48 and name HN ) 2.00 0.20 1.50
remarks Tyr3
assign (resid 3 and name HN )(resid 2 and name HA ) 2.00 0.20 0.50
assign (resid 3 and name HN )(resid 2 and name HB* ) 2.00 0.20 2.00
assign (resid 3 and name HN )(resid 3 and name HA ) 2.00 0.20 2.00
assign (resid 3 and name HN )(resid 3 and name HB* ) 2.00 0.20 3.00
assign (resid 3 and name HN )(resid 46 and name HN ) 2.00 0.20 1.50
assign (resid 3 and name HN )(resid 47 and name HA ) 2.00 0.20 1.50
assign (resid 3 and name HD* )(resid 3 and name HA ) 2.00 0.20 2.50
assign (resid 3 and name HD* )(resid 3 and name HB* ) 2.00 0.20 2.50
assign (resid 3 and name HD* )(resid 5 and name HG1* ) 2.00 0.20 4.50
assign (resid 3 and name HD* )(resid 5 and name HD* ) 2.00 0.20 5.50
assign (resid 3 and name HE* )(resid 3 and name HA ) 2.00 0.20 4.00
assign (resid 3 and name HE* )(resid 3 and name HB* ) 2.00 0.20 4.00
assign (resid 3 and name HE* )(resid 5 and name HG1* ) 2.00 0.20 3.50
assign (resid 3 and name HE* )(resid 5 and name HD* ) 2.00 0.20 4.00
remarks Phe4
assign (resid 4 and name HN )(resid 3 and name HA ) 2.00 0.20 0.50
assign (resid 4 and name HN )(resid 3 and name HB* ) 2.00 0.20 2.50
assign (resid 4 and name HN )(resid 4 and name HA ) 2.00 0.20 1.80
assign (resid 4 and name HN )(resid 4 and name HB* ) 2.00 0.20 2.00
assign (resid 4 and name HA )(resid 43 and name HB* ) 2.00 0.20 4.00
assign (resid 4 and name HA )(resid 45 and name HA ) 2.00 0.20 0.50
assign (resid 4 and name HA )(resid 45 and name HB* ) 2.00 0.20 2.50
assign (resid 4 and name HA )(resid 46 and name HN ) 2.00 0.20 1.50
assign (resid 4 and name HD* )(resid 4 and name HB* ) 2.00 0.20 2.50
assign (resid 4 and name HD* )(resid 43 and name HB* ) 2.00 0.20 6.00
assign (resid 4 and name HD* )(resid 45 and name HB* ) 2.00 0.20 5.50
assign (resid 4 and name HE* )(resid 4 and name HB* ) 2.00 0.20 3.50
assign (resid 4 and name HE* )(resid 43 and name HB* ) 2.00 0.20 4.50
assign (resid 4 and name HE* )(resid 45 and name HB* ) 2.00 0.20 6.00
remarks Ile5
assign (resid 5 and name HN )(resid 4 and name HA ) 2.00 0.20 0.50
assign (resid 5 and name HN )(resid 4 and name HB* ) 2.00 0.20 2.00
assign (resid 5 and name HN )(resid 5 and name HA ) 2.00 0.20 1.50
assign (resid 5 and name HN )(resid 5 and name HB ) 2.00 0.20 0.80
assign (resid 5 and name HN )(resid 5 and name HG1* ) 2.00 0.20 2.50
assign (resid 5 and name HN )(resid 5 and name HD* ) 2.00 0.20 3.00
assign (resid 5 and name HN )(resid 43 and name HB* ) 2.00 0.20 3.50
assign (resid 5 and name HN )(resid 44 and name HN ) 2.00 0.20 1.50
assign (resid 5 and name HN )(resid 45 and name HA ) 2.00 0.20 1.80
assign (resid 5 and name HN )(resid 46 and name HN ) 2.00 0.20 2.50
assign (resid 5 and name HA )(resid 5 and name HB ) 2.00 0.20 1.00
assign (resid 5 and name HA )(resid 6 and name HD* ) 2.00 0.20 0.80
remarks Pro6
assign (resid 6 and name HA )(resid 43 and name HA ) 2.00 0.20 0.80
assign (resid 6 and name HA )(resid 43 and name HB* ) 2.00 0.20 3.50
assign (resid 6 and name HA )(resid 6 and name HG* ) 2.00 0.20 2.50
assign (resid 6 and name HB* )(resid 6 and name HD* ) 2.00 0.20 2.50
remarks Asn7
assign (resid 7 and name HN )(resid 6 and name HA ) 2.00 0.20 0.80
assign (resid 7 and name HN )(resid 6 and name HG* ) 2.00 0.20 4.50
assign (resid 7 and name HN )(resid 7 and name HA ) 2.00 0.20 0.80
assign (resid 7 and name HN )(resid 7 and name HB* ) 2.00 0.20 1.50
assign (resid 7 and name HN )(resid 43 and name HB* ) 2.00 0.20 5.00
assign (resid 7 and name HA )(resid 44 and name HB ) 2.00 0.20 3.00
assign (resid 7 and name HA )(resid 44 and name HD* ) 2.00 0.20 4.50
assign (resid 7 and name HD2* )(resid 9 and name HB* ) 2.00 0.20 3.50
assign (resid 7 and name HD2* )(resid 15 and name HA ) 2.00 0.20 2.50
remarks Gln8
assign (resid 8 and name HN )(resid 7 and name HA ) 2.00 0.20 0.50
assign (resid 8 and name HN )(resid 7 and name HB* ) 2.00 0.20 4.00
assign (resid 8 and name HN )(resid 8 and name HA ) 2.00 0.20 1.50
assign (resid 8 and name HN )(resid 8 and name HB* ) 2.00 0.20 1.50
assign (resid 8 and name HN )(resid 8 and name HG* ) 2.00 0.20 2.50
assign (resid 8 and name HN )(resid 9 and name HN ) 2.00 0.20 0.50
assign (resid 8 and name HN )(resid 44 and name HD* ) 2.00 0.20 5.50
assign (resid 8 and name HA )(resid 8 and name HG* ) 2.00 0.20 2.50
assign (resid 8 and name HE2* )(resid 44 and name HG1* ) 2.00 0.20 4.50
assign (resid 8 and name HE2* )(resid 44 and name HD* ) 2.00 0.20 4.50
remarks Ser9
assign (resid 9 and name HN )(resid 7 and name HA ) 2.00 0.20 2.00
assign (resid 9 and name HN )(resid 7 and name HB* ) 2.00 0.20 4.50
assign (resid 9 and name HN )(resid 8 and name HA ) 2.00 0.20 1.50
assign (resid 9 and name HN )(resid 8 and name HB* ) 2.00 0.20 3.00
assign (resid 9 and name HN )(resid 9 and name HA ) 2.00 0.20 1.50
assign (resid 9 and name HN )(resid 9 and name HB* ) 2.00 0.20 1.50
assign (resid 9 and name HN )(resid 16 and name HN ) 2.00 0.20 2.50
assign (resid 9 and name HN )(resid 16 and name HB* ) 2.00 0.20 4.00
assign (resid 9 and name HB* )(resid 16 and name HB* ) 2.00 0.20 4.50
assign (resid 9 and name HB* )(resid 16 and name HG* ) 2.00 0.20 5.50
remarks Leu10
assign (resid 10 and name HN )(resid 9 and name HA ) 2.00 0.20 0.80
assign (resid 10 and name HN )(resid 9 and name HB* ) 2.00 0.20 4.00
assign (resid 10 and name HN )(resid 10 and name HA ) 2.00 0.20 1.50
assign (resid 10 and name HN )(resid 10 and name HB* ) 2.00 0.20 2.50
assign (resid 10 and name HN )(resid 10 and name HG ) 2.00 0.20 2.00
assign (resid 10 and name HN )(resid 10 and name HD* ) 2.00 0.20 4.00
assign (resid 10 and name HN )(resid 11 and name HN ) 2.00 0.20 0.80
assign (resid 10 and name HN )(resid 11 and name HG* ) 2.00 0.20 4.00
assign (resid 10 and name HA )(resid 10 and name HG ) 2.00 0.20 1.50
assign (resid 10 and name HA )(resid 10 and name HD* ) 2.00 0.20 3.50
remarks Lys11
assign (resid 11 and name HN )(resid 9 and name HB* ) 2.00 0.20 3.50
assign (resid 11 and name HN )(resid 10 and name HA ) 2.00 0.20 1.50
assign (resid 11 and name HN )(resid 10 and name HD* ) 2.00 0.20 6.00
assign (resid 11 and name HN )(resid 11 and name HA ) 2.00 0.20 1.00
assign (resid 11 and name HN )(resid 11 and name HB* ) 2.00 0.20 3.00
assign (resid 11 and name HN )(resid 11 and name HG* ) 2.00 0.20 2.50
assign (resid 11 and name HN )(resid 11 and name HD* ) 2.00 0.20 3.00
assign (resid 11 and name HN )(resid 12 and name HD* ) 2.00 0.20 4.00
assign (resid 11 and name HA )(resid 11 and name HG* ) 2.00 0.20 2.50
assign (resid 11 and name HA )(resid 11 and name HD* ) 2.00 0.20 3.50
assign (resid 11 and name HA )(resid 12 and name HD* ) 2.00 0.20 0.80
remarks Pro12
assign (resid 12 and name HD* )(resid 11 and name HB* ) 2.00 0.20 3.00
assign (resid 12 and name HD* )(resid 11 and name HG* ) 2.00 0.20 3.50
assign (resid 12 and name HD* )(resid 11 and name HD* ) 2.00 0.20 3.50
assign (resid 12 and name HA )(resid 12 and name HG* ) 2.00 0.20 2.00
assign (resid 12 and name HA )(resid 12 and name HD* ) 2.00 0.20 3.00
assign (resid 12 and name HB* )(resid 12 and name HD* ) 2.00 0.20 3.50
remarks Asn13
assign (resid 13 and name HN )(resid 12 and name HA ) 2.00 0.20 2.00
assign (resid 13 and name HN )(resid 12 and name HB* ) 2.00 0.20 3.50
assign (resid 13 and name HN )(resid 12 and name HG* ) 2.00 0.20 3.50
assign (resid 13 and name HN )(resid 12 and name HD* ) 2.00 0.20 5.00
assign (resid 13 and name HN )(resid 13 and name HA ) 2.00 0.20 0.80
assign (resid 13 and name HN )(resid 13 and name HB* ) 2.00 0.20 2.50
assign (resid 13 and name HN )(resid 14 and name HN ) 2.00 0.20 0.80
assign (resid 13 and name HN )(resid 25 and name HD* ) 2.00 0.20 6.00
assign (resid 13 and name HA )(resid 25 and name HG ) 2.00 0.20 2.50
assign (resid 13 and name HA )(resid 25 and name HD* ) 2.00 0.20 4.00
remarks Glu14
assign (resid 14 and name HN )(resid 12 and name HD* ) 2.00 0.20 5.50
assign (resid 14 and name HN )(resid 13 and name HA ) 2.00 0.20 0.80
assign (resid 14 and name HN )(resid 13 and name HB* ) 2.00 0.20 4.50
assign (resid 14 and name HN )(resid 14 and name HA ) 2.00 0.20 1.00
assign (resid 14 and name HN )(resid 14 and name HB* ) 2.00 0.20 2.00
assign (resid 14 and name HN )(resid 14 and name HG* ) 2.00 0.20 1.80
assign (resid 14 and name HN )(resid 15 and name HN ) 2.00 0.20 3.00
assign (resid 14 and name HN )(resid 25 and name HD* ) 2.00 0.20 6.00
assign (resid 14 and name HA )(resid 14 and name HG* ) 2.00 0.20 2.00
remarks Cys15
assign (resid 15 and name HN )(resid 14 and name HA ) 2.00 0.20 0.50
assign (resid 15 and name HN )(resid 14 and name HB* ) 2.00 0.20 2.50
assign (resid 15 and name HN )(resid 14 and name HG* ) 2.00 0.20 2.00
assign (resid 15 and name HN )(resid 15 and name HA ) 2.00 0.20 1.50
assign (resid 15 and name HN )(resid 15 and name HB* ) 2.00 0.20 1.50
assign (resid 15 and name HN )(resid 23 and name HB* ) 2.00 0.20 4.00
assign (resid 15 and name HN )(resid 23 and name HN ) 2.00 0.20 1.50
assign (resid 15 and name HA )(resid 9 and name HB* ) 2.00 0.20 3.50
assign (resid 15 and name HA )(resid 44 and name HD* ) 2.00 0.20 4.50
remarks Gln16
assign (resid 16 and name HN )(resid 9 and name HB* ) 2.00 0.20 3.00
assign (resid 16 and name HN )(resid 15 and name HA ) 2.00 0.20 0.80
assign (resid 16 and name HN )(resid 15 and name HB* ) 2.00 0.20 3.00
assign (resid 16 and name HN )(resid 16 and name HA ) 2.00 0.20 2.50
assign (resid 16 and name HN )(resid 16 and name HB* ) 2.00 0.20 2.00
assign (resid 16 and name HN )(resid 44 and name HD* ) 2.00 0.20 3.50
assign (resid 16 and name HA )(resid 16 and name HG* ) 2.00 0.20 3.00
remarks Asp17
assign (resid 17 and name HN )(resid 16 and name HA ) 2.00 0.20 0.50
assign (resid 17 and name HN )(resid 16 and name HB* ) 2.00 0.20 2.50
assign (resid 17 and name HN )(resid 16 and name HG* ) 2.00 0.20 3.00
assign (resid 17 and name HN )(resid 17 and name HA ) 2.00 0.20 1.50
assign (resid 17 and name HN )(resid 17 and name HB* ) 2.00 0.20 2.00
assign (resid 17 and name HN )(resid 44 and name HD* ) 2.00 0.20 4.00
assign (resid 17 and name HN )(resid 20 and name HA* ) 2.00 0.20 4.50
assign (resid 17 and name HA )(resid 44 and name HG1* ) 2.00 0.20 5.50
assign (resid 17 and name HA )(resid 44 and name HG2* ) 2.00 0.20 6.00
remarks Leu18
assign (resid 18 and name HN )(resid 17 and name HA ) 2.00 0.20 0.80
assign (resid 18 and name HN )(resid 17 and name HB* ) 2.00 0.20 2.00
assign (resid 18 and name HN )(resid 18 and name HA ) 2.00 0.20 2.00
assign (resid 18 and name HN )(resid 18 and name HB* ) 2.00 0.20 3.00
assign (resid 18 and name HN )(resid 18 and name HG ) 2.00 0.20 2.00
assign (resid 18 and name HN )(resid 18 and name HD* ) 2.00 0.20 5.50
assign (resid 18 and name HA )(resid 18 and name HG ) 2.00 0.20 2.00
assign (resid 18 and name HA )(resid 18 and name HD* ) 2.00 0.20 2.50
remarks Lys19
assign (resid 19 and name HN )(resid 18 and name HA ) 2.00 0.20 1.50
assign (resid 19 and name HN )(resid 19 and name HA ) 2.00 0.20 1.50
assign (resid 19 and name HN )(resid 19 and name HB* ) 2.00 0.20 1.50
assign (resid 19 and name HN )(resid 19 and name HG* ) 2.00 0.20 4.00
assign (resid 19 and name HN )(resid 19 and name HD* ) 2.00 0.20 4.50
assign (resid 19 and name HN )(resid 20 and name HN ) 2.00 0.20 0.50
assign (resid 19 and name HN )(resid 75 and name HB ) 2.00 0.20 4.00
assign (resid 19 and name HN )(resid 75 and name HG* ) 2.00 0.20 6.00
assign (resid 19 and name HN )(resid 77 and name HG* ) 2.00 0.20 6.00
assign (resid 19 and name HA )(resid 19 and name HG* ) 2.00 0.20 2.00
assign (resid 19 and name HA )(resid 19 and name HD* ) 2.00 0.20 2.50
assign (resid 19 and name HA )(resid 19 and name HE* ) 2.00 0.20 2.00
remarks Gly20
assign (resid 20 and name HN )(resid 19 and name HA ) 2.00 0.20 1.80
assign (resid 20 and name HN )(resid 19 and name HB* ) 2.00 0.20 3.00
assign (resid 20 and name HN )(resid 21 and name HN ) 2.00 0.20 2.50
assign (resid 20 and name HN )(resid 75 and name HB ) 2.00 0.20 3.50
assign (resid 20 and name HN )(resid 75 and name HG* ) 2.00 0.20 5.50
remarks Val21
assign (resid 21 and name HN )(resid 19 and name HB* ) 2.00 0.20 4.00
assign (resid 21 and name HN )(resid 20 and name HA* ) 2.00 0.20 1.50
assign (resid 21 and name HN )(resid 21 and name HA ) 2.00 0.20 1.00
assign (resid 21 and name HN )(resid 21 and name HB ) 2.00 0.20 1.00
assign (resid 21 and name HN )(resid 21 and name HG* ) 2.00 0.20 2.50
assign (resid 21 and name HA )(resid 21 and name HB ) 2.00 0.20 1.00
assign (resid 21 and name HA )(resid 21 and name HG* ) 2.00 0.20 1.50
remarks Ser22
assign (resid 22 and name HN )(resid 21 and name HA ) 2.00 0.20 0.80
assign (resid 22 and name HN )(resid 21 and name HB ) 2.00 0.20 2.50
assign (resid 22 and name HN )(resid 21 and name HG* ) 2.00 0.20 3.50
assign (resid 22 and name HN )(resid 22 and name HA ) 2.00 0.20 1.80
assign (resid 22 and name HN )(resid 22 and name HB* ) 2.00 0.20 2.00
assign (resid 22 and name HN )(resid 23 and name HN ) 2.00 0.20 2.50
assign (resid 22 and name HA )(resid 16 and name HA ) 2.00 0.20 0.80
assign (resid 22 and name HA )(resid 16 and name HB* ) 2.00 0.20 4.50
assign (resid 22 and name HA )(resid 16 and name HG* ) 2.00 0.20 4.50
assign (resid 22 and name HB* )(resid 16 and name HA ) 2.00 0.20 4.00
remarks His23
assign (resid 23 and name HN )(resid 14 and name HG* ) 2.00 0.20 4.50
assign (resid 23 and name HN )(resid 22 and name HA ) 2.00 0.20 0.50
assign (resid 23 and name HN )(resid 22 and name HB* ) 2.00 0.20 2.50
assign (resid 23 and name HN )(resid 23 and name HA ) 2.00 0.20 2.00
assign (resid 23 and name HN )(resid 23 and name HB* ) 2.00 0.20 2.00
assign (resid 23 and name HA )(resid 24 and name HD* ) 2.00 0.20 0.80
remarks Pro24
assign (resid 24 and name HA )(resid 14 and name HA ) 2.00 0.20 1.50
assign (resid 24 and name HA )(resid 24 and name HG* ) 2.00 0.20 2.50
assign (resid 24 and name HB* )(resid 24 and name HD* ) 2.00 0.20 2.50
remarks Leu25
assign (resid 25 and name HN )(resid 13 and name HA ) 2.00 0.20 2.50
assign (resid 25 and name HN )(resid 13 and name HB* ) 2.00 0.20 4.50
assign (resid 25 and name HN )(resid 14 and name HA ) 2.00 0.20 1.50
assign (resid 25 and name HN )(resid 15 and name HN ) 2.00 0.20 3.00
assign (resid 25 and name HN )(resid 24 and name HA ) 2.00 0.20 0.80
assign (resid 25 and name HN )(resid 24 and name HB* ) 2.00 0.20 2.50
assign (resid 25 and name HN )(resid 24 and name HG* ) 2.00 0.20 4.00
assign (resid 25 and name HN )(resid 25 and name HA ) 2.00 0.20 0.80
assign (resid 25 and name HN )(resid 25 and name HB* ) 2.00 0.20 2.00
assign (resid 25 and name HN )(resid 25 and name HD* ) 2.00 0.20 5.50
assign (resid 25 and name HN )(resid 26 and name HN ) 2.00 0.20 3.50
assign (resid 25 and name HA )(resid 25 and name HG ) 2.00 0.20 1.50
assign (resid 25 and name HA )(resid 25 and name HD* ) 2.00 0.20 2.50
assign (resid 25 and name HD* )(resid 41 and name HE2* ) 2.00 0.20 5.50
remarks Asn26
assign (resid 26 and name HN )(resid 25 and name HA ) 2.00 0.20 0.80
assign (resid 26 and name HN )(resid 25 and name HB* ) 2.00 0.20 4.50
assign (resid 26 and name HN )(resid 25 and name HG ) 2.00 0.20 2.50
assign (resid 26 and name HN )(resid 25 and name HD* ) 2.00 0.20 4.00
assign (resid 26 and name HN )(resid 26 and name HA ) 2.00 0.20 0.80
assign (resid 26 and name HN )(resid 26 and name HB* ) 2.00 0.20 3.50
assign (resid 26 and name HN )(resid 27 and name HN ) 2.00 0.20 1.50
assign (resid 26 and name HN )(resid 39 and name HB* ) 2.00 0.20 3.00
remarks Ser27
assign (resid 27 and name HN )(resid 25 and name HD* ) 2.00 0.20 6.00
assign (resid 27 and name HN )(resid 25 and name HA ) 2.00 0.20 3.00
assign (resid 27 and name HN )(resid 26 and name HA ) 2.00 0.20 2.00
assign (resid 27 and name HN )(resid 26 and name HB* ) 2.00 0.20 4.00
assign (resid 27 and name HN )(resid 27 and name HA ) 2.00 0.20 1.00
assign (resid 27 and name HN )(resid 27 and name HB* ) 2.00 0.20 2.50
assign (resid 27 and name HN )(resid 39 and name HB* ) 2.00 0.20 2.50
assign (resid 27 and name HA )(resid 28 and name HG* ) 2.00 0.20 5.00
remarks Val28
assign (resid 28 and name HN )(resid 27 and name HA ) 2.00 0.20 0.80
assign (resid 28 and name HN )(resid 27 and name HB* ) 2.00 0.20 2.50
assign (resid 28 and name HN )(resid 28 and name HA ) 2.00 0.20 2.00
assign (resid 28 and name HN )(resid 28 and name HB ) 2.00 0.20 1.50
assign (resid 28 and name HN )(resid 28 and name HG* ) 2.00 0.20 4.50
assign (resid 28 and name HA )(resid 28 and name HB ) 2.00 0.20 1.50
assign (resid 28 and name HA )(resid 28 and name HG* ) 2.00 0.20 1.50
assign (resid 28 and name HA )(resid 38 and name HA ) 2.00 0.20 0.50
assign (resid 28 and name HA )(resid 38 and name HB ) 2.00 0.20 2.00
assign (resid 28 and name HA )(resid 38 and name HG2* ) 2.00 0.20 3.00
assign (resid 28 and name HG* )(resid 38 and name HB ) 2.00 0.20 5.00
assign (resid 28 and name HG* )(resid 38 and name HG2* ) 2.00 0.20 5.00
remarks Trp29
assign (resid 29 and name HN )(resid 28 and name HA ) 2.00 0.20 0.50
assign (resid 29 and name HN )(resid 28 and name HB ) 2.00 0.20 1.50
assign (resid 29 and name HN )(resid 28 and name HG* ) 2.00 0.20 4.00
assign (resid 29 and name HN )(resid 29 and name HA ) 2.00 0.20 1.80
assign (resid 29 and name HN )(resid 29 and name HB* ) 2.00 0.20 4.00
assign (resid 29 and name HA )(resid 28 and name HG* ) 2.00 0.20 5.50
assign (resid 29 and name HD1 )(resid 29 and name HB* ) 2.00 0.20 2.50
assign (resid 29 and name HD1 )(resid 30 and name HN ) 2.00 0.20 3.00
assign (resid 29 and name HD1 )(resid 31 and name HA ) 2.00 0.20 4.00
assign (resid 29 and name HD1 )(resid 31 and name HG2* ) 2.00 0.20 3.50
assign (resid 29 and name HE1 )(resid 31 and name HG2* ) 2.00 0.20 4.50
assign (resid 29 and name HE3 )(resid 28 and name HA ) 2.00 0.20 3.50
assign (resid 29 and name HE3 )(resid 29 and name HA ) 2.00 0.20 4.50
assign (resid 29 and name HE3 )(resid 29 and name HB* ) 2.00 0.20 3.50
assign (resid 29 and name HE3 )(resid 29 and name HN ) 2.00 0.20 2.00
assign (resid 29 and name HH2 )(resid 39 and name HB* ) 2.00 0.20 4.50
assign (resid 29 and name HZ2 )(resid 44 and name HD* ) 2.00 0.20 5.00
assign (resid 29 and name HZ2 )(resid 44 and name HG2* ) 2.00 0.20 4.50
assign (resid 29 and name HZ3 )(resid 39 and name HB* ) 2.00 0.20 4.00
remarks Lys30
assign (resid 30 and name HN )(resid 29 and name HA ) 2.00 0.20 0.80
assign (resid 30 and name HN )(resid 29 and name HB* ) 2.00 0.20 2.00
assign (resid 30 and name HN )(resid 30 and name HA ) 2.00 0.20 1.80
assign (resid 30 and name HN )(resid 30 and name HB* ) 2.00 0.20 1.50
assign (resid 30 and name HN )(resid 30 and name HG* ) 2.00 0.20 4.50
assign (resid 30 and name HA )(resid 30 and name HG* ) 2.00 0.20 2.50
assign (resid 30 and name HA )(resid 30 and name HD* ) 2.00 0.20 2.50
assign (resid 30 and name HA )(resid 36 and name HA ) 2.00 0.20 0.50
assign (resid 30 and name HB* )(resid 36 and name HA ) 2.00 0.20 3.00
remarks Thr31
assign (resid 31 and name HN )(resid 30 and name HA ) 2.00 0.20 0.50
assign (resid 31 and name HN )(resid 30 and name HB* ) 2.00 0.20 2.50
assign (resid 31 and name HN )(resid 31 and name HA ) 2.00 0.20 1.50
assign (resid 31 and name HN )(resid 31 and name HB ) 2.00 0.20 1.80
assign (resid 31 and name HN )(resid 31 and name HG2* ) 2.00 0.20 3.50
assign (resid 31 and name HN )(resid 35 and name HN ) 2.00 0.20 2.00
assign (resid 31 and name HN )(resid 36 and name HA ) 2.00 0.20 3.00
assign (resid 31 and name HA )(resid 31 and name HB ) 2.00 0.20 0.40
assign (resid 31 and name HA )(resid 31 and name HG2* ) 2.00 0.20 2.00
assign (resid 31 and name HG2* )(resid 35 and name HB* ) 2.00 0.20 6.00
assign (resid 31 and name HG2* )(resid 35 and name HG* ) 2.00 0.20 4.50
remarks Asp33
assign (resid 33 and name HN )(resid 32 and name HA ) 2.00 0.20 1.50
assign (resid 33 and name HN )(resid 32 and name HB* ) 2.00 0.20 3.50
assign (resid 33 and name HN )(resid 32 and name HG* ) 2.00 0.20 4.00
assign (resid 33 and name HN )(resid 33 and name HA ) 2.00 0.20 1.00
assign (resid 33 and name HN )(resid 33 and name HB* ) 2.00 0.20 2.00
assign (resid 33 and name HN )(resid 34 and name HN ) 2.00 0.20 1.80
remarks Cys34
assign (resid 34 and name HN )(resid 33 and name HA ) 2.00 0.20 1.50
assign (resid 34 and name HN )(resid 33 and name HB* ) 2.00 0.20 4.50
assign (resid 34 and name HN )(resid 34 and name HA ) 2.00 0.20 1.00
assign (resid 34 and name HN )(resid 34 and name HB* ) 2.00 0.20 3.50
assign (resid 34 and name HN )(resid 35 and name HN ) 2.00 0.20 1.50
remarks Glu35
assign (resid 35 and name HN )(resid 31 and name HA ) 2.00 0.20 4.00
assign (resid 35 and name HN )(resid 34 and name HA ) 2.00 0.20 1.50
assign (resid 35 and name HN )(resid 34 and name HB* ) 2.00 0.20 4.00
assign (resid 35 and name HN )(resid 35 and name HA ) 2.00 0.20 2.00
assign (resid 35 and name HN )(resid 35 and name HB* ) 2.00 0.20 3.50
assign (resid 35 and name HN )(resid 35 and name HG* ) 2.00 0.20 2.50
assign (resid 35 and name HA )(resid 35 and name HG* ) 2.00 0.20 1.00
assign (resid 35 and name HA )(resid 48 and name HA ) 2.00 0.20 0.80
assign (resid 35 and name HA )(resid 48 and name HB* ) 2.00 0.20 3.00
remarks Glu36
assign (resid 36 and name HN )(resid 35 and name HA ) 2.00 0.20 0.50
assign (resid 36 and name HN )(resid 35 and name HG* ) 2.00 0.20 2.50
assign (resid 36 and name HN )(resid 36 and name HA ) 2.00 0.20 1.80
assign (resid 36 and name HN )(resid 36 and name HB* ) 2.00 0.20 3.00
assign (resid 36 and name HN )(resid 36 and name HG* ) 2.00 0.20 3.00
assign (resid 36 and name HA )(resid 36 and name HG* ) 2.00 0.20 2.00
remarks Cys37
assign (resid 37 and name HN )(resid 36 and name HA ) 2.00 0.20 0.50
assign (resid 37 and name HN )(resid 36 and name HB* ) 2.00 0.20 3.00
assign (resid 37 and name HN )(resid 36 and name HG* ) 2.00 0.20 3.50
assign (resid 37 and name HN )(resid 37 and name HA ) 2.00 0.20 2.00
assign (resid 37 and name HN )(resid 37 and name HB* ) 2.00 0.20 2.00
assign (resid 37 and name HN )(resid 38 and name HN ) 2.00 0.20 3.00
assign (resid 37 and name HN )(resid 46 and name HA ) 2.00 0.20 2.50
assign (resid 37 and name HA )(resid 46 and name HA ) 2.00 0.20 0.50
assign (resid 37 and name HA )(resid 46 and name HB* ) 2.00 0.20 2.50
assign (resid 37 and name HA )(resid 47 and name HN ) 2.00 0.20 1.50
assign (resid 37 and name HB* )(resid 46 and name HB* ) 2.00 0.20 4.50
remarks Thr38
assign (resid 38 and name HN )(resid 37 and name HA ) 2.00 0.20 0.50
assign (resid 38 and name HN )(resid 37 and name HB* ) 2.00 0.20 2.00
assign (resid 38 and name HN )(resid 38 and name HA ) 2.00 0.20 2.00
assign (resid 38 and name HN )(resid 38 and name HB ) 2.00 0.20 1.80
assign (resid 38 and name HN )(resid 38 and name HG2* ) 2.00 0.20 3.00
assign (resid 38 and name HN )(resid 46 and name HA ) 2.00 0.20 3.00
assign (resid 38 and name HN )(resid 45 and name HN ) 2.00 0.20 2.00
assign (resid 38 and name HN )(resid 45 and name HB* ) 2.00 0.20 3.00
assign (resid 38 and name HN )(resid 46 and name HA ) 2.00 0.20 1.50
assign (resid 38 and name HA )(resid 28 and name HG* ) 2.00 0.20 3.00
assign (resid 38 and name HA )(resid 38 and name HB ) 2.00 0.20 0.60
assign (resid 38 and name HA )(resid 38 and name HG2* ) 2.00 0.20 2.00
assign (resid 38 and name HB )(resid 45 and name HB* ) 2.00 0.20 4.00
assign (resid 38 and name HG2* )(resid 28 and name HG* ) 2.00 0.20 5.50
assign (resid 38 and name HG2* )(resid 45 and name HB* ) 2.00 0.20 3.50
remarks Cys39
assign (resid 39 and name HN )(resid 28 and name HA ) 2.00 0.20 2.50
assign (resid 39 and name HN )(resid 38 and name HA ) 2.00 0.20 0.80
assign (resid 39 and name HN )(resid 38 and name HG2* ) 2.00 0.20 3.50
assign (resid 39 and name HN )(resid 39 and name HA ) 2.00 0.20 1.80
assign (resid 39 and name HN )(resid 39 and name HB* ) 2.00 0.20 2.50
assign (resid 39 and name HA )(resid 15 and name HB* ) 2.00 0.20 4.00
assign (resid 39 and name HA )(resid 44 and name HA ) 2.00 0.20 0.80
remarks Gly40
assign (resid 40 and name HN )(resid 39 and name HA ) 2.00 0.20 0.80
assign (resid 40 and name HN )(resid 39 and name HB* ) 2.00 0.20 4.00
assign (resid 40 and name HN )(resid 43 and name HN ) 2.00 0.20 1.80
remarks Gln41
assign (resid 41 and name HN )(resid 25 and name HD* ) 2.00 0.20 5.00
assign (resid 41 and name HN )(resid 40 and name HA* ) 2.00 0.20 0.80
assign (resid 41 and name HN )(resid 41 and name HA ) 2.00 0.20 0.80
assign (resid 41 and name HN )(resid 41 and name HB* ) 2.00 0.20 2.00
assign (resid 41 and name HN )(resid 41 and name HG* ) 2.00 0.20 3.50
assign (resid 41 and name HN )(resid 42 and name HN ) 2.00 0.20 2.50
assign (resid 41 and name HN )(resid 43 and name HN ) 2.00 0.20 2.50
assign (resid 41 and name HA )(resid 41 and name HG* ) 2.00 0.20 1.30
remarks Asp42
assign (resid 42 and name HN )(resid 41 and name HA ) 2.00 0.20 1.50
assign (resid 42 and name HN )(resid 41 and name HB* ) 2.00 0.20 2.50
assign (resid 42 and name HN )(resid 41 and name HG* ) 2.00 0.20 4.00
assign (resid 42 and name HN )(resid 42 and name HA ) 2.00 0.20 1.00
assign (resid 42 and name HN )(resid 42 and name HB* ) 2.00 0.20 2.00
assign (resid 42 and name HN )(resid 43 and name HB* ) 2.00 0.20 5.00
assign (resid 42 and name HN )(resid 43 and name HN ) 2.00 0.20 0.80
remarks Ala43
assign (resid 43 and name HN )(resid 41 and name HA ) 2.00 0.20 2.50
assign (resid 43 and name HN )(resid 41 and name HB* ) 2.00 0.20 3.50
assign (resid 43 and name HN )(resid 41 and name HG* ) 2.00 0.20 4.50
assign (resid 43 and name HN )(resid 42 and name HA ) 2.00 0.20 1.80
assign (resid 43 and name HN )(resid 42 and name HB* ) 2.00 0.20 3.50
assign (resid 43 and name HN )(resid 43 and name HA ) 2.00 0.20 1.00
assign (resid 43 and name HN )(resid 43 and name HB* ) 2.00 0.20 3.00
assign (resid 43 and name HN )(resid 44 and name HN ) 2.00 0.20 2.50
assign (resid 43 and name HB* )(resid 4 and name HB* ) 2.00 0.20 5.00
assign (resid 43 and name HB* )(resid 6 and name HB* ) 2.00 0.20 5.50
assign (resid 43 and name HB* )(resid 39 and name HA ) 2.00 0.20 5.50
assign (resid 43 and name HB* )(resid 42 and name HB* ) 2.00 0.20 6.00
remarks Ile44
assign (resid 44 and name HN )(resid 7 and name HN ) 2.00 0.20 3.00
assign (resid 44 and name HN )(resid 43 and name HA ) 2.00 0.20 1.50
assign (resid 44 and name HN )(resid 43 and name HB* ) 2.00 0.20 3.50
assign (resid 44 and name HN )(resid 44 and name HA ) 2.00 0.20 2.00
assign (resid 44 and name HN )(resid 44 and name HB ) 2.00 0.20 1.00
assign (resid 44 and name HN )(resid 44 and name HG1* ) 2.00 0.20 5.00
assign (resid 44 and name HN )(resid 44 and name HD* ) 2.00 0.20 4.50
assign (resid 44 and name HA )(resid 39 and name HB* ) 2.00 0.20 3.50
assign (resid 44 and name HA )(resid 44 and name HB ) 2.00 0.20 2.00
assign (resid 44 and name HA )(resid 44 and name HG2* ) 2.00 0.20 3.00
assign (resid 44 and name HA )(resid 44 and name HD* ) 2.00 0.20 3.50
assign (resid 44 and name HG2* )(resid 15 and name HB* ) 2.00 0.20 6.00
assign (resid 44 and name HG2* )(resid 37 and name HA ) 2.00 0.20 5.00
assign (resid 44 and name HG2* )(resid 37 and name HB* ) 2.00 0.20 4.50
assign (resid 44 and name HG2* )(resid 39 and name HA ) 2.00 0.20 5.50
assign (resid 44 and name HG2* )(resid 39 and name HB* ) 2.00 0.20 5.50
assign (resid 44 and name HG2* )(resid 43 and name HB* ) 2.00 0.20 6.00
assign (resid 44 and name HD* )(resid 15 and name HB* ) 2.00 0.20 4.00
assign (resid 44 and name HD* )(resid 17 and name HA ) 2.00 0.20 4.50
assign (resid 44 and name HD* )(resid 17 and name HB* ) 2.00 0.20 5.00
assign (resid 44 and name HD* )(resid 39 and name HA ) 2.00 0.20 4.50
assign (resid 44 and name HD* )(resid 39 and name HB* ) 2.00 0.20 5.50
remarks Ser45
assign (resid 45 and name HN )(resid 44 and name HA ) 2.00 0.20 1.00
assign (resid 45 and name HN )(resid 44 and name HG2* ) 2.00 0.20 4.00
assign (resid 45 and name HN )(resid 45 and name HA ) 2.00 0.20 2.00
assign (resid 45 and name HN )(resid 45 and name HB* ) 2.00 0.20 2.50
assign (resid 45 and name HB* )(resid 4 and name HB* ) 2.00 0.20 5.00
remarks Cys46
assign (resid 46 and name HN )(resid 2 and name HB* ) 2.00 0.20 4.00
assign (resid 46 and name HN )(resid 44 and name HG2* ) 2.00 0.20 4.50
assign (resid 46 and name HN )(resid 45 and name HA ) 2.00 0.20 0.50
assign (resid 46 and name HN )(resid 45 and name HB* ) 2.00 0.20 3.00
assign (resid 46 and name HN )(resid 46 and name HA ) 2.00 0.20 2.00
assign (resid 46 and name HN )(resid 46 and name HB* ) 2.00 0.20 1.80
assign (resid 46 and name HA )(resid 37 and name HB* ) 2.00 0.20 3.50
remarks Cys47
assign (resid 47 and name HN )(resid 46 and name HA ) 2.00 0.20 0.50
assign (resid 47 and name HN )(resid 46 and name HB* ) 2.00 0.20 2.50
assign (resid 47 and name HN )(resid 47 and name HA ) 2.00 0.20 2.00
assign (resid 47 and name HN )(resid 47 and name HB* ) 2.00 0.20 2.00
assign (resid 47 and name HA )(resid 2 and name HB* ) 2.00 0.20 2.50
remarks Asn48
assign (resid 48 and name HN )(resid 47 and name HA ) 2.00 0.20 0.50
assign (resid 48 and name HN )(resid 47 and name HB* ) 2.00 0.20 2.50
assign (resid 48 and name HN )(resid 48 and name HA ) 2.00 0.20 2.00
assign (resid 48 and name HN )(resid 48 and name HB* ) 2.00 0.20 1.80
remarks Thr49
assign (resid 49 and name HN )(resid 35 and name HA ) 2.00 0.20 1.50
assign (resid 49 and name HN )(resid 35 and name HG* ) 2.00 0.20 4.50
assign (resid 49 and name HN )(resid 48 and name HA ) 2.00 0.20 0.50
assign (resid 49 and name HN )(resid 48 and name HB* ) 2.00 0.20 3.00
assign (resid 49 and name HN )(resid 49 and name HA ) 2.00 0.20 1.50
assign (resid 49 and name HN )(resid 49 and name HG2* ) 2.00 0.20 2.50
assign (resid 49 and name HN )(resid 50 and name HB* ) 2.00 0.20 4.00
assign (resid 49 and name HN )(resid 50 and name HN ) 2.00 0.20 0.80
assign (resid 49 and name HA )(resid 49 and name HG2* ) 2.00 0.20 1.50
remarks Ala50
assign (resid 50 and name HN )(resid 48 and name HA ) 2.00 0.20 2.50
assign (resid 50 and name HN )(resid 48 and name HB* ) 2.00 0.20 3.50
assign (resid 50 and name HN )(resid 49 and name HA ) 2.00 0.20 1.80
assign (resid 50 and name HN )(resid 49 and name HG2* ) 2.00 0.20 3.00
assign (resid 50 and name HN )(resid 50 and name HA ) 2.00 0.20 1.00
assign (resid 50 and name HN )(resid 50 and name HB* ) 2.00 0.20 2.00
assign (resid 50 and name HN )(resid 65 and name HG ) 2.00 0.20 3.00
assign (resid 50 and name HB* )(resid 34 and name HB* ) 2.00 0.20 5.50
assign (resid 50 and name HB* )(resid 70 and name HB* ) 2.00 0.20 5.00
assign (resid 50 and name HB* )(resid 65 and name HD* ) 2.00 0.20 5.50
remarks Ala51
assign (resid 51 and name HN )(resid 50 and name HA ) 2.00 0.20 1.50
assign (resid 51 and name HN )(resid 50 and name HB* ) 2.00 0.20 2.50
assign (resid 51 and name HN )(resid 51 and name HA ) 2.00 0.20 2.00
assign (resid 51 and name HN )(resid 51 and name HB* ) 2.00 0.20 2.00
assign (resid 51 and name HN )(resid 50 and name HN ) 2.00 0.20 3.00
assign (resid 51 and name HN )(resid 52 and name HN ) 2.00 0.20 3.00
assign (resid 51 and name HN )(resid 91 and name HD* ) 2.00 0.20 5.00
assign (resid 51 and name HB* )(resid 89 and name HA ) 2.00 0.20 4.50
assign (resid 51 and name HB* )(resid 89 and name HB* ) 2.00 0.20 4.00
assign (resid 51 and name HB* )(resid 91 and name HA ) 2.00 0.20 3.50
assign (resid 51 and name HB* )(resid 91 and name HD* ) 2.00 0.20 6.00
remarks Ile52
assign (resid 52 and name HN )(resid 51 and name HA ) 2.00 0.20 0.50
assign (resid 52 and name HN )(resid 51 and name HB* ) 2.00 0.20 3.00
assign (resid 52 and name HN )(resid 52 and name HA ) 2.00 0.20 2.00
assign (resid 52 and name HN )(resid 52 and name HB ) 2.00 0.20 1.00
assign (resid 52 and name HN )(resid 52 and name HG1* ) 2.00 0.20 3.00
assign (resid 52 and name HN )(resid 90 and name HB ) 2.00 0.20 2.50
assign (resid 52 and name HN )(resid 90 and name HG* ) 2.00 0.20 4.00
assign (resid 52 and name HA )(resid 52 and name HB ) 2.00 0.20 1.50
assign (resid 52 and name HA )(resid 52 and name HD* ) 2.00 0.20 2.00
assign (resid 52 and name HA )(resid 53 and name HD* ) 2.00 0.20 1.00
remarks Pro53
assign (resid 53 and name HB* )(resid 74 and name HG* ) 2.00 0.20 6.00
assign (resid 53 and name HB* )(resid 86 and name HG* ) 2.00 0.20 6.00
assign (resid 53 and name HG* )(resid 74 and name HG* ) 2.00 0.20 6.00
assign (resid 53 and name HD* )(resid 72 and name HB* ) 2.00 0.20 4.00
assign (resid 53 and name HA )(resid 53 and name HG* ) 2.00 0.20 3.00
remarks Thr54
assign (resid 54 and name HN )(resid 53 and name HA ) 2.00 0.20 0.50
assign (resid 54 and name HN )(resid 53 and name HB* ) 2.00 0.20 3.00
assign (resid 54 and name HN )(resid 54 and name HA ) 2.00 0.20 1.80
assign (resid 54 and name HN )(resid 54 and name HB ) 2.00 0.20 2.50
assign (resid 54 and name HN )(resid 54 and name HG2* ) 2.00 0.20 2.50
assign (resid 54 and name HN )(resid 86 and name HG* ) 2.00 0.20 5.50
assign (resid 54 and name HN )(resid 88 and name HN ) 2.00 0.20 2.50
assign (resid 54 and name HN )(resid 90 and name HN ) 2.00 0.20 2.50
assign (resid 54 and name HN )(resid 89 and name HA ) 2.00 0.20 1.50
assign (resid 54 and name HA )(resid 54 and name HB ) 2.00 0.20 0.40
assign (resid 54 and name HA )(resid 54 and name HG2* ) 2.00 0.20 1.50
remarks Gly55
assign (resid 55 and name HN )(resid 54 and name HA ) 2.00 0.20 0.80
assign (resid 55 and name HN )(resid 54 and name HB ) 2.00 0.20 1.00
assign (resid 55 and name HN )(resid 54 and name HG2* ) 2.00 0.20 3.50
assign (resid 55 and name HN )(resid 56 and name HN ) 2.00 0.20 1.50
assign (resid 55 and name HN )(resid 87 and name HG2* ) 2.00 0.20 4.50
remarks Tyr56
assign (resid 56 and name HN )(resid 54 and name HA ) 2.00 0.20 2.50
assign (resid 56 and name HN )(resid 54 and name HG2* ) 2.00 0.20 5.00
assign (resid 56 and name HN )(resid 55 and name HA* ) 2.00 0.20 1.50
assign (resid 56 and name HN )(resid 56 and name HA ) 2.00 0.20 1.50
assign (resid 56 and name HN )(resid 56 and name HB* ) 2.00 0.20 2.50
assign (resid 56 and name HN )(resid 56 and name HD* ) 2.00 0.20 3.50
assign (resid 56 and name HN )(resid 56 and name HE* ) 2.00 0.20 5.00
assign (resid 56 and name HA )(resid 86 and name HA ) 2.00 0.20 2.00
assign (resid 56 and name HD* )(resid 58 and name HG2* ) 2.00 0.20 6.00
assign (resid 56 and name HD* )(resid 61 and name HB* ) 2.00 0.20 5.00
assign (resid 56 and name HD* )(resid 74 and name HG* ) 2.00 0.20 5.00
assign (resid 56 and name HD* )(resid 58 and name HA ) 2.00 0.20 5.50
assign (resid 56 and name HD* )(resid 85 and name HA ) 2.00 0.20 6.00
assign (resid 56 and name HD* )(resid 86 and name HA ) 2.00 0.20 5.00
assign (resid 56 and name HD* )(resid 86 and name HG* ) 2.00 0.20 5.00
assign (resid 56 and name HE* )(resid 61 and name HB* ) 2.00 0.20 6.00
assign (resid 56 and name HE* )(resid 53 and name HB* ) 2.00 0.20 6.00
assign (resid 56 and name HE* )(resid 53 and name HG* ) 2.00 0.20 5.50
assign (resid 56 and name HE* )(resid 58 and name HA ) 2.00 0.20 4.50
assign (resid 56 and name HE* )(resid 85 and name HA ) 2.00 0.20 6.00
assign (resid 56 and name HE* )(resid 86 and name HA ) 2.00 0.20 5.50
assign (resid 56 and name HE* )(resid 58 and name HG2* ) 2.00 0.20 4.50
assign (resid 56 and name HE* )(resid 74 and name HG* ) 2.00 0.20 5.50
assign (resid 56 and name HE* )(resid 86 and name HG* ) 2.00 0.20 6.00
remarks Asp57
assign (resid 57 and name HN )(resid 57 and name HA ) 2.00 0.20 1.50
assign (resid 57 and name HN )(resid 57 and name HB* ) 2.00 0.20 2.50
remarks Thr58
assign (resid 58 and name HN )(resid 57 and name HB* ) 2.00 0.20 2.50
assign (resid 58 and name HN )(resid 58 and name HA ) 2.00 0.20 2.00
assign (resid 58 and name HN )(resid 58 and name HB ) 2.00 0.20 2.50
assign (resid 58 and name HN )(resid 58 and name HG2* ) 2.00 0.20 3.00
assign (resid 58 and name HA )(resid 58 and name HB ) 2.00 0.20 0.40
assign (resid 58 and name HA )(resid 58 and name HG2* ) 2.00 0.20 2.00
remarks Asn59
assign (resid 59 and name HN )(resid 58 and name HA ) 2.00 0.20 2.50
assign (resid 59 and name HN )(resid 58 and name HB ) 2.00 0.20 2.50
assign (resid 59 and name HN )(resid 58 and name HG2* ) 2.00 0.20 4.00
assign (resid 59 and name HN )(resid 58 and name HN ) 2.00 0.20 2.50
assign (resid 59 and name HN )(resid 59 and name HA ) 2.00 0.20 1.00
assign (resid 59 and name HN )(resid 59 and name HB* ) 2.00 0.20 1.00
assign (resid 59 and name HN )(resid 60 and name HN ) 2.00 0.20 0.50
assign (resid 59 and name HN )(resid 85 and name HB* ) 2.00 0.20 4.50
remarks Lys60
assign (resid 60 and name HN )(resid 59 and name HA ) 2.00 0.20 2.50
assign (resid 60 and name HN )(resid 59 and name HB* ) 2.00 0.20 2.00
assign (resid 60 and name HN )(resid 60 and name HA ) 2.00 0.20 1.00
assign (resid 60 and name HN )(resid 60 and name HB* ) 2.00 0.20 2.50
assign (resid 60 and name HN )(resid 60 and name HG* ) 2.00 0.20 3.50
assign (resid 60 and name HN )(resid 61 and name HN ) 2.00 0.20 0.80
assign (resid 60 and name HA )(resid 60 and name HG* ) 2.00 0.20 2.50
assign (resid 60 and name HA )(resid 60 and name HD* ) 2.00 0.20 3.00
remarks Cys61
assign (resid 61 and name HN )(resid 60 and name HA ) 2.00 0.20 1.50
assign (resid 61 and name HN )(resid 60 and name HB* ) 2.00 0.20 2.50
assign (resid 61 and name HN )(resid 60 and name HG* ) 2.00 0.20 3.50
assign (resid 61 and name HN )(resid 61 and name HA ) 2.00 0.20 1.50
assign (resid 61 and name HN )(resid 61 and name HB* ) 2.00 0.20 2.00
assign (resid 61 and name HN )(resid 77 and name HG* ) 2.00 0.20 4.00
assign (resid 61 and name HA )(resid 76 and name HA ) 2.00 0.20 0.80
assign (resid 61 and name HA )(resid 76 and name HB* ) 2.00 0.20 3.00
assign (resid 61 and name HA )(resid 76 and name HG* ) 2.00 0.20 4.00
assign (resid 61 and name HA )(resid 77 and name HN ) 2.00 0.20 1.00
remarks Gln62
assign (resid 62 and name HN )(resid 61 and name HA ) 2.00 0.20 0.50
assign (resid 62 and name HN )(resid 61 and name HB* ) 2.00 0.20 2.00
assign (resid 62 and name HN )(resid 62 and name HA ) 2.00 0.20 1.50
assign (resid 62 and name HN )(resid 62 and name HB* ) 2.00 0.20 3.00
assign (resid 62 and name HN )(resid 62 and name HG* ) 2.00 0.20 2.50
assign (resid 62 and name HN )(resid 74 and name HA ) 2.00 0.20 2.30
assign (resid 62 and name HN )(resid 74 and name HG* ) 2.00 0.20 4.50
assign (resid 62 and name HN )(resid 75 and name HN ) 2.00 0.20 1.50
assign (resid 62 and name HN )(resid 75 and name HG* ) 2.00 0.20 5.50
assign (resid 62 and name HN )(resid 76 and name HA ) 2.00 0.20 1.80
assign (resid 62 and name HN )(resid 77 and name HN ) 2.00 0.20 2.50
assign (resid 62 and name HA )(resid 62 and name HG* ) 2.00 0.20 1.50
assign (resid 62 and name HE2* )(resid 75 and name HG* ) 2.00 0.20 5.50
assign (resid 62 and name HE2* )(resid 77 and name HA ) 2.00 0.20 4.50
remarks Lys63
assign (resid 63 and name HN )(resid 62 and name HA ) 2.00 0.20 0.50
assign (resid 63 and name HN )(resid 62 and name HB* ) 2.00 0.20 3.00
assign (resid 63 and name HN )(resid 62 and name HG* ) 2.00 0.20 2.50
assign (resid 63 and name HN )(resid 63 and name HA ) 2.00 0.20 2.50
assign (resid 63 and name HN )(resid 63 and name HB* ) 2.00 0.20 3.00
assign (resid 63 and name HN )(resid 63 and name HG* ) 2.00 0.20 3.50
assign (resid 63 and name HN )(resid 63 and name HD* ) 2.00 0.20 4.00
assign (resid 63 and name HA )(resid 63 and name HG* ) 2.00 0.20 2.00
assign (resid 63 and name HA )(resid 63 and name HD* ) 2.00 0.20 3.50
assign (resid 63 and name HA )(resid 74 and name HA ) 2.00 0.20 0.80
remarks Ile64
assign (resid 64 and name HN )(resid 63 and name HN ) 2.00 0.20 2.50
assign (resid 64 and name HN )(resid 63 and name HA ) 2.00 0.20 0.50
assign (resid 64 and name HN )(resid 63 and name HB* ) 2.00 0.20 3.00
assign (resid 64 and name HN )(resid 63 and name HG* ) 2.00 0.20 3.50
assign (resid 64 and name HN )(resid 64 and name HA ) 2.00 0.20 1.50
assign (resid 64 and name HN )(resid 64 and name HB ) 2.00 0.20 1.00
assign (resid 64 and name HN )(resid 64 and name HG1* ) 2.00 0.20 3.50
assign (resid 64 and name HN )(resid 64 and name HD* ) 2.00 0.20 4.00
assign (resid 64 and name HN )(resid 73 and name HN ) 2.00 0.20 1.50
assign (resid 64 and name HN )(resid 74 and name HA ) 2.00 0.20 1.50
assign (resid 64 and name HN )(resid 74 and name HG* ) 2.00 0.20 6.00
assign (resid 64 and name HA )(resid 64 and name HB ) 2.00 0.20 1.00
assign (resid 64 and name HA )(resid 64 and name HG1* ) 2.00 0.20 2.00
assign (resid 64 and name HA )(resid 64 and name HG2* ) 2.00 0.20 2.50
assign (resid 64 and name HD* )(resid 62 and name HG* ) 2.00 0.20 6.00
remarks Leu65
assign (resid 65 and name HN )(resid 64 and name HA ) 2.00 0.20 0.50
assign (resid 65 and name HN )(resid 64 and name HB ) 2.00 0.20 2.50
assign (resid 65 and name HN )(resid 65 and name HA ) 2.00 0.20 2.00
assign (resid 65 and name HN )(resid 65 and name HB* ) 2.00 0.20 2.00
assign (resid 65 and name HN )(resid 65 and name HG ) 2.00 0.20 2.50
assign (resid 65 and name HN )(resid 65 and name HD* ) 2.00 0.20 5.00
assign (resid 65 and name HA )(resid 65 and name HG ) 2.00 0.20 2.00
assign (resid 65 and name HA )(resid 65 and name HD* ) 2.00 0.20 3.00
assign (resid 65 and name HA )(resid 72 and name HA ) 2.00 0.20 0.80
assign (resid 65 and name HA )(resid 73 and name HN ) 2.00 0.20 1.50
assign (resid 65 and name HD* )(resid 34 and name HB* ) 2.00 0.20 5.00
assign (resid 65 and name HD* )(resid 67 and name HA ) 2.00 0.20 5.00
assign (resid 65 and name HD* )(resid 67 and name HG* ) 2.00 0.20 6.00
assign (resid 65 and name HD* )(resid 70 and name HA ) 2.00 0.20 4.50
assign (resid 65 and name HD* )(resid 70 and name HB* ) 2.00 0.20 6.00
assign (resid 65 and name HD* )(resid 71 and name HA ) 2.00 0.20 6.00
assign (resid 65 and name HD* )(resid 72 and name HA ) 2.00 0.20 5.00
remarks Asn66
assign (resid 66 and name HN )(resid 65 and name HA ) 2.00 0.20 0.50
assign (resid 66 and name HN )(resid 65 and name HB* ) 2.00 0.20 3.50
assign (resid 66 and name HN )(resid 65 and name HG ) 2.00 0.20 3.50
assign (resid 66 and name HN )(resid 65 and name HD* ) 2.00 0.20 4.50
assign (resid 66 and name HN )(resid 66 and name HA ) 2.00 0.20 1.50
assign (resid 66 and name HN )(resid 66 and name HB* ) 2.00 0.20 1.50
assign (resid 66 and name HN )(resid 71 and name HN ) 2.00 0.20 1.80
assign (resid 66 and name HN )(resid 72 and name HA ) 2.00 0.20 1.50
remarks Lys67
assign (resid 67 and name HN )(resid 66 and name HA ) 2.00 0.20 0.50
assign (resid 67 and name HN )(resid 66 and name HB* ) 2.00 0.20 3.50
assign (resid 67 and name HN )(resid 67 and name HA ) 2.00 0.20 1.50
assign (resid 67 and name HN )(resid 67 and name HB* ) 2.00 0.20 1.50
assign (resid 67 and name HN )(resid 67 and name HG* ) 2.00 0.20 3.50
assign (resid 67 and name HN )(resid 67 and name HD* ) 2.00 0.20 3.00
assign (resid 67 and name HN )(resid 68 and name HN ) 2.00 0.20 1.50
assign (resid 67 and name HN )(resid 70 and name HA ) 2.00 0.20 3.50
assign (resid 67 and name HA )(resid 67 and name HG* ) 2.00 0.20 2.50
assign (resid 67 and name HA )(resid 67 and name HD* ) 2.00 0.20 2.50
assign (resid 67 and name HA )(resid 71 and name HN ) 2.00 0.20 2.00
remarks Lys68
assign (resid 68 and name HN )(resid 66 and name HA ) 2.00 0.20 3.50
assign (resid 68 and name HN )(resid 67 and name HA ) 2.00 0.20 2.50
assign (resid 68 and name HN )(resid 68 and name HA ) 2.00 0.20 0.80
assign (resid 68 and name HN )(resid 68 and name HB* ) 2.00 0.20 1.50
assign (resid 68 and name HN )(resid 68 and name HG* ) 2.00 0.20 3.50
assign (resid 68 and name HN )(resid 68 and name HD* ) 2.00 0.20 3.50
assign (resid 68 and name HN )(resid 69 and name HN ) 2.00 0.20 0.80
assign (resid 68 and name HN )(resid 69 and name HG2* ) 2.00 0.20 5.00
assign (resid 68 and name HA )(resid 68 and name HG* ) 2.00 0.20 2.50
assign (resid 68 and name HA )(resid 68 and name HD* ) 2.00 0.20 2.50
remarks Thr69
assign (resid 69 and name HN )(resid 67 and name HA ) 2.00 0.20 3.50
assign (resid 69 and name HN )(resid 67 and name HN ) 2.00 0.20 3.50
assign (resid 69 and name HN )(resid 68 and name HA ) 2.00 0.20 2.00
assign (resid 69 and name HN )(resid 68 and name HB* ) 2.00 0.20 2.50
assign (resid 69 and name HN )(resid 68 and name HD* ) 2.00 0.20 4.50
assign (resid 69 and name HN )(resid 69 and name HA ) 2.00 0.20 1.500
assign (resid 69 and name HN )(resid 69 and name HB ) 2.00 0.20 2.00
assign (resid 69 and name HN )(resid 69 and name HG2* ) 2.00 0.20 3.00
assign (resid 69 and name HN )(resid 71 and name HN ) 2.00 0.20 3.00
assign (resid 69 and name HA )(resid 69 and name HG2* ) 2.00 0.20 1.20
remarks Cys70
assign (resid 70 and name HN )(resid 65 and name HD* ) 2.00 0.20 6.00
assign (resid 70 and name HN )(resid 67 and name HA ) 2.00 0.20 3.00
assign (resid 70 and name HN )(resid 69 and name HA ) 2.00 0.20 2.00
assign (resid 70 and name HN )(resid 69 and name HB ) 2.00 0.20 3.00
assign (resid 70 and name HN )(resid 69 and name HG2* ) 2.00 0.20 4.50
assign (resid 70 and name HN )(resid 69 and name HN ) 2.00 0.20 1.00
assign (resid 70 and name HN )(resid 70 and name HA ) 2.00 0.20 2.00
assign (resid 70 and name HN )(resid 70 and name HB* ) 2.00 0.20 3.50
assign (resid 70 and name HN )(resid 71 and name HN ) 2.00 0.20 1.50
assign (resid 70 and name HA )(resid 34 and name HB* ) 2.00 0.20 2.50
assign (resid 70 and name HB* )(resid 65 and name HG ) 2.00 0.20 5.00
remarks Thr71
assign (resid 71 and name HN )(resid 65 and name HA ) 2.00 0.20 3.00
assign (resid 71 and name HN )(resid 65 and name HG ) 2.00 0.20 3.50
assign (resid 71 and name HN )(resid 65 and name HD* ) 2.00 0.20 5.00
assign (resid 71 and name HN )(resid 66 and name HB* ) 2.00 0.20 2.50
assign (resid 71 and name HN )(resid 70 and name HA ) 2.00 0.20 0.50
assign (resid 71 and name HN )(resid 70 and name HB* ) 2.00 0.20 3.50
assign (resid 71 and name HN )(resid 71 and name HA ) 2.00 0.20 1.50
assign (resid 71 and name HN )(resid 71 and name HB ) 2.00 0.20 3.00
assign (resid 71 and name HN )(resid 71 and name HG2* ) 2.00 0.20 3.50
assign (resid 71 and name HA )(resid 71 and name HB ) 2.00 0.20 0.40
assign (resid 71 and name HA )(resid 71 and name HG2* ) 2.00 0.20 2.00
assign (resid 71 and name HG2* )(resid 34 and name HB* ) 2.00 0.20 6.00
assign (resid 71 and name HG2* )(resid 65 and name HD* ) 2.00 0.20 5.50
assign (resid 71 and name HG2* )(resid 70 and name HB* ) 2.00 0.20 5.50
remarks Tyr72
assign (resid 72 and name HN )(resid 71 and name HA ) 2.00 0.20 0.50
assign (resid 72 and name HN )(resid 71 and name HB ) 2.00 0.20 2.50
assign (resid 72 and name HN )(resid 71 and name HG2* ) 2.00 0.20 3.50
assign (resid 72 and name HN )(resid 72 and name HA ) 2.00 0.20 1.50
assign (resid 72 and name HN )(resid 72 and name HB* ) 2.00 0.20 2.00
assign (resid 72 and name HA )(resid 53 and name HG* ) 2.00 0.20 3.50
assign (resid 72 and name HA )(resid 65 and name HD* ) 2.00 0.20 5.00
assign (resid 72 and name HD* )(resid 63 and name HB* ) 2.00 0.20 5.50
assign (resid 72 and name HD* )(resid 63 and name HG* ) 2.00 0.20 5.50
assign (resid 72 and name HD* )(resid 65 and name HA ) 2.00 0.20 3.00
assign (resid 72 and name HD* )(resid 65 and name HD* ) 2.00 0.20 6.00
assign (resid 72 and name HD* )(resid 50 and name HB* ) 2.00 0.20 5.50
assign (resid 72 and name HD* )(resid 72 and name HA ) 2.00 0.20 4.00
assign (resid 72 and name HD* )(resid 72 and name HB* ) 2.00 0.20 2.50
assign (resid 72 and name HE* )(resid 52 and name HB ) 2.00 0.20 4.00
assign (resid 72 and name HE* )(resid 52 and name HG2* ) 2.00 0.20 5.50
assign (resid 72 and name HE* )(resid 52 and name HD* ) 2.00 0.20 4.50
assign (resid 72 and name HE* )(resid 63 and name HB* ) 2.00 0.20 6.00
assign (resid 72 and name HE* )(resid 63 and name HG* ) 2.00 0.20 6.00
assign (resid 72 and name HE* )(resid 65 and name HA ) 2.00 0.20 4.50
assign (resid 72 and name HE* )(resid 65 and name HB* ) 2.00 0.20 5.00
assign (resid 72 and name HE* )(resid 65 and name HD* ) 2.00 0.20 5.50
assign (resid 72 and name HE* )(resid 50 and name HB* ) 2.00 0.20 5.00
assign (resid 72 and name HE* )(resid 72 and name HB* ) 2.00 0.20 3.50
remarks Thr73
assign (resid 73 and name HN )(resid 64 and name HB ) 2.00 0.20 3.00
assign (resid 73 and name HN )(resid 72 and name HA ) 2.00 0.20 0.50
assign (resid 73 and name HN )(resid 72 and name HB* ) 2.00 0.20 2.50
assign (resid 73 and name HN )(resid 73 and name HA ) 2.00 0.20 1.50
assign (resid 73 and name HN )(resid 73 and name HB ) 2.00 0.20 2.50
assign (resid 73 and name HN )(resid 73 and name HG2* ) 2.00 0.20 4.00
assign (resid 73 and name HA )(resid 73 and name HB ) 2.00 0.20 0.40
assign (resid 73 and name HA )(resid 73 and name HG2* ) 2.00 0.20 2.00
assign (resid 73 and name HG2* )(resid 64 and name HB ) 2.00 0.20 4.50
assign (resid 73 and name HG2* )(resid 64 and name HG2* ) 2.00 0.20 5.00
remarks Val74
assign (resid 74 and name HN )(resid 63 and name HA ) 2.00 0.20 3.00
assign (resid 74 and name HN )(resid 73 and name HA ) 2.00 0.20 0.80
assign (resid 74 and name HN )(resid 73 and name HB ) 2.00 0.20 1.50
assign (resid 74 and name HN )(resid 73 and name HG2* ) 2.00 0.20 3.50
assign (resid 74 and name HN )(resid 74 and name HA ) 2.00 0.20 1.50
assign (resid 74 and name HN )(resid 74 and name HB ) 2.00 0.20 1.00
assign (resid 74 and name HN )(resid 74 and name HG* ) 2.00 0.20 5.00
assign (resid 74 and name HN )(resid 64 and name HG2* ) 2.00 0.20 5.00
assign (resid 74 and name HA )(resid 74 and name HB ) 2.00 0.20 1.50
assign (resid 74 and name HA )(resid 74 and name HG* ) 2.00 0.20 1.50
assign (resid 74 and name HG* )(resid 53 and name HA ) 2.00 0.20 5.00
assign (resid 74 and name HG* )(resid 56 and name HB* ) 2.00 0.20 6.00
assign (resid 74 and name HG* )(resid 61 and name HA ) 2.00 0.20 5.00
assign (resid 74 and name HG* )(resid 61 and name HB* ) 2.00 0.20 4.50
assign (resid 74 and name HG* )(resid 63 and name HA ) 2.00 0.20 3.50
assign (resid 74 and name HG* )(resid 63 and name HB* ) 2.00 0.20 5.50
assign (resid 74 and name HG* )(resid 84 and name HA ) 2.00 0.20 6.00
assign (resid 74 and name HG* )(resid 84 and name HB* ) 2.00 0.20 5.00
assign (resid 74 and name HG* )(resid 86 and name HA ) 2.00 0.20 5.00
assign (resid 74 and name HG* )(resid 86 and name HG* ) 2.00 0.20 6.00
remarks Val75
assign (resid 75 and name HN )(resid 61 and name HB* ) 2.00 0.20 4.00
assign (resid 75 and name HN )(resid 62 and name HG* ) 2.00 0.20 4.00
assign (resid 75 and name HN )(resid 64 and name HN ) 2.00 0.20 2.50
assign (resid 75 and name HN )(resid 74 and name HA ) 2.00 0.20 0.80
assign (resid 75 and name HN )(resid 74 and name HG* ) 2.00 0.20 5.00
assign (resid 75 and name HN )(resid 75 and name HA ) 2.00 0.20 1.20
assign (resid 75 and name HN )(resid 75 and name HB ) 2.00 0.20 3.00
assign (resid 75 and name HN )(resid 75 and name HG* ) 2.00 0.20 4.50
assign (resid 75 and name HA )(resid 75 and name HB ) 2.00 0.20 0.60
assign (resid 75 and name HA )(resid 75 and name HG* ) 2.00 0.20 1.50
assign (resid 75 and name HA )(resid 80 and name HA ) 2.00 0.20 3.00
assign (resid 75 and name HA )(resid 83 and name HA ) 2.00 0.20 1.00
assign (resid 75 and name HA )(resid 83 and name HB ) 2.00 0.20 3.50
assign (resid 75 and name HA )(resid 83 and name HG2* ) 2.00 0.20 3.50
assign (resid 75 and name HG* )(resid 19 and name HB* ) 2.00 0.20 5.50
assign (resid 75 and name HG* )(resid 80 and name HB* ) 2.00 0.20 6.00
remarks Glu76
assign (resid 76 and name HN )(resid 75 and name HA ) 2.00 0.20 0.80
assign (resid 76 and name HN )(resid 75 and name HB ) 2.00 0.20 2.00
assign (resid 76 and name HN )(resid 75 and name HG* ) 2.00 0.20 5.00
assign (resid 76 and name HN )(resid 76 and name HA ) 2.00 0.20 2.50
assign (resid 76 and name HN )(resid 76 and name HB* ) 2.00 0.20 3.00
assign (resid 76 and name HN )(resid 76 and name HG* ) 2.00 0.20 2.50
assign (resid 76 and name HA )(resid 74 and name HG* ) 2.00 0.20 6.00
assign (resid 76 and name HA )(resid 76 and name HG* ) 2.00 0.20 1.00
remarks Lys77
assign (resid 77 and name HN )(resid 19 and name HB* ) 2.00 0.20 3.50
assign (resid 77 and name HN )(resid 76 and name HA ) 2.00 0.20 0.50
assign (resid 77 and name HN )(resid 76 and name HB* ) 2.00 0.20 3.50
assign (resid 77 and name HN )(resid 76 and name HG* ) 2.00 0.20 4.00
assign (resid 77 and name HN )(resid 77 and name HA ) 2.00 0.20 1.80
assign (resid 77 and name HN )(resid 77 and name HB* ) 2.00 0.20 2.50
assign (resid 77 and name HN )(resid 77 and name HG* ) 2.00 0.20 3.00
assign (resid 77 and name HN )(resid 77 and name HD* ) 2.00 0.20 3.50
assign (resid 77 and name HN )(resid 78 and name HN ) 2.00 0.20 1.50
assign (resid 77 and name HN )(resid 79 and name HN ) 2.00 0.20 3.50
assign (resid 77 and name HA )(resid 19 and name HB* ) 2.00 0.20 3.00
assign (resid 77 and name HA )(resid 77 and name HG* ) 2.00 0.20 2.00
assign (resid 77 and name HA )(resid 77 and name HD* ) 2.00 0.20 2.00
assign (resid 77 and name HA )(resid 77 and name HE* ) 2.00 0.20 2.50
remarks Lys78
assign (resid 78 and name HN )(resid 61 and name HA ) 2.00 0.20 3.50
assign (resid 78 and name HN )(resid 76 and name HB* ) 2.00 0.20 3.50
assign (resid 78 and name HN )(resid 76 and name HG* ) 2.00 0.20 4.50
assign (resid 78 and name HN )(resid 77 and name HA ) 2.00 0.20 2.50
assign (resid 78 and name HN )(resid 77 and name HB* ) 2.00 0.20 3.50
assign (resid 78 and name HN )(resid 77 and name HG* ) 2.00 0.20 4.50
assign (resid 78 and name HN )(resid 77 and name HD* ) 2.00 0.20 5.00
assign (resid 78 and name HN )(resid 78 and name HA ) 2.00 0.20 1.00
assign (resid 78 and name HN )(resid 78 and name HB* ) 2.00 0.20 3.00
assign (resid 78 and name HN )(resid 78 and name HG* ) 2.00 0.20 3.00
assign (resid 78 and name HN )(resid 79 and name HN ) 2.00 0.20 1.00
assign (resid 78 and name HA )(resid 78 and name HG* ) 2.00 0.20 2.50
assign (resid 78 and name HA )(resid 78 and name HD* ) 2.00 0.20 2.50
remarks Asp79
assign (resid 79 and name HN )(resid 19 and name HB* ) 2.00 0.20 3.00
assign (resid 79 and name HN )(resid 19 and name HG* ) 2.00 0.20 4.00
assign (resid 79 and name HN )(resid 19 and name HD* ) 2.00 0.20 5.00
assign (resid 79 and name HN )(resid 75 and name HG* ) 2.00 0.20 6.00
assign (resid 79 and name HN )(resid 78 and name HA ) 2.00 0.20 1.80
assign (resid 79 and name HN )(resid 78 and name HB* ) 2.00 0.20 3.50
assign (resid 79 and name HN )(resid 78 and name HD* ) 2.00 0.20 4.00
assign (resid 79 and name HN )(resid 79 and name HA ) 2.00 0.20 1.50
assign (resid 79 and name HN )(resid 79 and name HB* ) 2.00 0.20 1.00
assign (resid 79 and name HN )(resid 80 and name HD* ) 2.00 0.20 2.50
assign (resid 79 and name HA )(resid 80 and name HD* ) 2.00 0.20 0.80
remarks Pro80
assign (resid 80 and name HA )(resid 75 and name HG* ) 2.00 0.20 5.00
assign (resid 80 and name HA )(resid 80 and name HG* ) 2.00 0.20 2.50
assign (resid 80 and name HA )(resid 80 and name HD* ) 2.00 0.20 3.00
assign (resid 80 and name HB* )(resid 79 and name HA ) 2.00 0.20 4.00
assign (resid 80 and name HB* )(resid 80 and name HD* ) 2.00 0.20 2.50
assign (resid 80 and name HG* )(resid 75 and name HG* ) 2.00 0.20 6.00
assign (resid 80 and name HG* )(resid 79 and name HA ) 2.00 0.20 3.00
assign (resid 80 and name HD* )(resid 75 and name HG* ) 2.00 0.20 6.00
assign (resid 80 and name HD* )(resid 79 and name HB* ) 2.00 0.20 3.50
remarks Gly81
assign (resid 81 and name HN )(resid 75 and name HB ) 2.00 0.20 4.00
assign (resid 81 and name HN )(resid 75 and name HG* ) 2.00 0.20 6.00
assign (resid 81 and name HN )(resid 79 and name HA ) 2.00 0.20 2.50
assign (resid 81 and name HN )(resid 79 and name HB* ) 2.00 0.20 3.50
assign (resid 81 and name HN )(resid 80 and name HA ) 2.00 0.20 2.00
assign (resid 81 and name HN )(resid 80 and name HB* ) 2.00 0.20 4.00
assign (resid 81 and name HN )(resid 80 and name HG* ) 2.00 0.20 3.00
assign (resid 81 and name HN )(resid 80 and name HD* ) 2.00 0.20 2.50
assign (resid 81 and name HN )(resid 82 and name HB* ) 2.00 0.20 3.00
assign (resid 81 and name HN )(resid 82 and name HG* ) 2.00 0.20 3.00
assign (resid 81 and name HN )(resid 82 and name HN ) 2.00 0.20 2.00
remarks Lys82
assign (resid 82 and name HN )(resid 79 and name HB* ) 2.00 0.20 3.50
assign (resid 82 and name HN )(resid 75 and name HB ) 2.00 0.20 3.50
assign (resid 82 and name HN )(resid 75 and name HG* ) 2.00 0.20 6.00
assign (resid 82 and name HN )(resid 81 and name HA* ) 2.00 0.20 3.00
assign (resid 82 and name HN )(resid 82 and name HA ) 2.00 0.20 1.00
assign (resid 82 and name HN )(resid 82 and name HB* ) 2.00 0.20 2.00
assign (resid 82 and name HN )(resid 82 and name HG* ) 2.00 0.20 3.00
assign (resid 82 and name HA )(resid 82 and name HG* ) 2.00 0.20 2.00
assign (resid 82 and name HA )(resid 82 and name HD* ) 2.00 0.20 2.50
remarks Thr83
assign (resid 83 and name HN )(resid 82 and name HA ) 2.00 0.20 0.80
assign (resid 83 and name HN )(resid 82 and name HB* ) 2.00 0.20 3.00
assign (resid 83 and name HN )(resid 83 and name HA ) 2.00 0.20 2.00
assign (resid 83 and name HN )(resid 83 and name HB ) 2.00 0.20 2.50
assign (resid 83 and name HN )(resid 83 and name HG2* ) 2.00 0.20 2.50
assign (resid 83 and name HA )(resid 75 and name HB ) 2.00 0.20 3.00
assign (resid 83 and name HA )(resid 75 and name HG* ) 2.00 0.20 4.00
assign (resid 83 and name HA )(resid 83 and name HB ) 2.00 0.20 1.00
assign (resid 83 and name HA )(resid 83 and name HG2* ) 2.00 0.20 2.00
assign (resid 83 and name HB )(resid 75 and name HG* ) 2.00 0.20 5.50
remarks Cys84
assign (resid 84 and name HN )(resid 83 and name HA ) 2.00 0.20 1.00
assign (resid 84 and name HN )(resid 83 and name HB ) 2.00 0.20 2.50
assign (resid 84 and name HN )(resid 83 and name HG2* ) 2.00 0.20 3.00
assign (resid 84 and name HN )(resid 84 and name HA ) 2.00 0.20 1.50
assign (resid 84 and name HN )(resid 84 and name HB* ) 2.00 0.20 1.50
assign (resid 84 and name HN )(resid 74 and name HB ) 2.00 0.20 3.00
assign (resid 84 and name HN )(resid 74 and name HG* ) 2.00 0.20 5.50
assign (resid 84 and name HN )(resid 75 and name HA ) 2.00 0.20 1.50
remarks Asp85
assign (resid 85 and name HN )(resid 84 and name HA ) 2.00 0.20 0.80
assign (resid 85 and name HN )(resid 84 and name HB* ) 2.00 0.20 1.50
assign (resid 85 and name HN )(resid 84 and name HN ) 2.00 0.20 3.00
assign (resid 85 and name HN )(resid 85 and name HA ) 2.00 0.20 1.50
assign (resid 85 and name HN )(resid 85 and name HB* ) 2.00 0.20 2.50
remarks Val86
assign (resid 86 and name HN )(resid 85 and name HA ) 2.00 0.20 0.80
assign (resid 86 and name HN )(resid 85 and name HB* ) 2.00 0.20 2.50
assign (resid 86 and name HN )(resid 86 and name HA ) 2.00 0.20 2.00
assign (resid 86 and name HN )(resid 86 and name HB ) 2.00 0.20 1.00
assign (resid 86 and name HN )(resid 86 and name HG* ) 2.00 0.20 4.50
assign (resid 86 and name HA )(resid 86 and name HB ) 2.00 0.20 1.00
assign (resid 86 and name HA )(resid 86 and name HG* ) 2.00 0.20 1.50
assign (resid 86 and name HG* )(resid 53 and name HA ) 2.00 0.20 5.00
assign (resid 86 and name HG* )(resid 56 and name HA ) 2.00 0.20 5.50
assign (resid 86 and name HG* )(resid 56 and name HB* ) 2.00 0.20 5.00
assign (resid 86 and name HG* )(resid 74 and name HB ) 2.00 0.20 4.50
assign (resid 86 and name HG* )(resid 85 and name HA ) 2.00 0.20 5.00
remarks Thr87
assign (resid 87 and name HN )(resid 55 and name HA* ) 2.00 0.20 4.00
assign (resid 87 and name HN )(resid 56 and name HB* ) 2.00 0.20 4.50
assign (resid 87 and name HN )(resid 86 and name HA ) 2.00 0.20 0.80
assign (resid 87 and name HN )(resid 86 and name HB ) 2.00 0.20 1.50
assign (resid 87 and name HN )(resid 86 and name HG* ) 2.00 0.20 5.00
assign (resid 87 and name HN )(resid 87 and name HA ) 2.00 0.20 1.00
assign (resid 87 and name HN )(resid 87 and name HB ) 2.00 0.20 2.00
assign (resid 87 and name HN )(resid 87 and name HG2* ) 2.00 0.20 3.00
assign (resid 87 and name HN )(resid 88 and name HN ) 2.00 0.20 0.80
assign (resid 87 and name HA )(resid 87 and name HG2* ) 2.00 0.20 1.50
assign (resid 87 and name HB )(resid 55 and name HA* ) 2.00 0.20 2.00
assign (resid 87 and name HG2* )(resid 55 and name HA* ) 2.00 0.20 4.50
remarks Gly88
assign (resid 88 and name HN )(resid 54 and name HG2* ) 2.00 0.20 4.50
assign (resid 88 and name HN )(resid 86 and name HB ) 2.00 0.20 3.00
assign (resid 88 and name HN )(resid 86 and name HG* ) 2.00 0.20 5.50
assign (resid 88 and name HN )(resid 87 and name HA ) 2.00 0.20 1.50
assign (resid 88 and name HN )(resid 87 and name HG2* ) 2.00 0.20 4.50
assign (resid 88 and name HN )(resid 89 and name HN ) 2.00 0.20 3.00
remarks Trp89
assign (resid 89 and name HN )(resid 88 and name HA* ) 2.00 0.20 0.80
assign (resid 89 and name HN )(resid 89 and name HA ) 2.00 0.20 2.50
assign (resid 89 and name HN )(resid 89 and name HB* ) 2.00 0.20 3.00
assign (resid 89 and name HN )(resid 90 and name HG* ) 2.00 0.20 6.00
assign (resid 89 and name HN )(resid 90 and name HN ) 2.00 0.20 3.00
assign (resid 89 and name HA )(resid 53 and name HA ) 2.00 0.20 0.80
assign (resid 89 and name HA )(resid 54 and name HN ) 2.00 0.20 1.50
assign (resid 89 and name HD1 )(resid 51 and name HB* ) 2.00 0.20 4.50
assign (resid 89 and name HD1 )(resid 88 and name HA* ) 2.00 0.20 4.50
assign (resid 89 and name HD1 )(resid 89 and name HA ) 2.00 0.20 3.50
assign (resid 89 and name HD1 )(resid 89 and name HB* ) 2.00 0.20 2.50
assign (resid 89 and name HE1 )(resid 86 and name HB ) 2.00 0.20 3.50
assign (resid 89 and name HE1 )(resid 86 and name HG* ) 2.00 0.20 5.50
assign (resid 89 and name HZ2 )(resid 86 and name HG* ) 2.00 0.20 5.00
remarks Val90
assign (resid 90 and name HN )(resid 52 and name HN ) 2.00 0.20 1.50
assign (resid 90 and name HN )(resid 52 and name HB ) 2.00 0.20 3.00
assign (resid 90 and name HN )(resid 52 and name HG1* ) 2.00 0.20 5.00
assign (resid 90 and name HN )(resid 53 and name HA ) 2.00 0.20 2.50
assign (resid 90 and name HN )(resid 89 and name HA ) 2.00 0.20 0.80
assign (resid 90 and name HN )(resid 89 and name HB* ) 2.00 0.20 3.50
assign (resid 90 and name HN )(resid 90 and name HA ) 2.00 0.20 2.00
assign (resid 90 and name HN )(resid 90 and name HB ) 2.00 0.20 1.50
assign (resid 90 and name HN )(resid 90 and name HG* ) 2.00 0.20 5.00
assign (resid 90 and name HA )(resid 90 and name HB ) 2.00 0.20 1.00
assign (resid 90 and name HA )(resid 90 and name HG* ) 2.00 0.20 2.00
assign (resid 90 and name HG* )(resid 54 and name HA ) 2.00 0.20 5.00
assign (resid 90 and name HG* )(resid 54 and name HB ) 2.00 0.20 4.50
remarks Leu91
assign (resid 91 and name HN )(resid 90 and name HA ) 2.00 0.20 1.50
assign (resid 91 and name HN )(resid 90 and name HB ) 2.00 0.20 2.50
assign (resid 91 and name HN )(resid 91 and name HA ) 2.00 0.20 1.50
assign (resid 91 and name HN )(resid 91 and name HB* ) 2.00 0.20 3.00
assign (resid 91 and name HN )(resid 91 and name HD* ) 2.00 0.20 4.50
assign (resid 91 and name HA )(resid 91 and name HG ) 2.00 0.20 1.00
assign (resid 91 and name HA )(resid 91 and name HD* ) 2.00 0.20 2.00
remarks H-bonds
assign (resid 3 and name HN )(resid 46 and name O ) 2.30 0.50 0.20
assign (resid 46 and name HN )(resid 3 and name O ) 2.30 0.50 0.20
assign (resid 5 and name HN )(resid 44 and name O ) 2.30 0.50 0.20
assign (resid 44 and name HN )(resid 5 and name O ) 2.30 0.50 0.20
assign (resid 15 and name HN )(resid 23 and name O ) 2.30 0.50 0.20
assign (resid 37 and name HN )(resid 29 and name O ) 2.30 0.50 0.20
assign (resid 29 and name HN )(resid 37 and name O ) 2.30 0.50 0.20
assign (resid 36 and name HN )(resid 47 and name O ) 2.30 0.50 0.20
assign (resid 47 and name HN )(resid 36 and name O ) 2.30 0.50 0.20
assign (resid 38 and name HN )(resid 45 and name O ) 2.30 0.50 0.20
assign (resid 45 and name HN )(resid 38 and name O ) 2.30 0.50 0.20
assign (resid 62 and name HN )(resid 75 and name O ) 2.30 0.50 0.20
assign (resid 75 and name HN )(resid 62 and name O ) 2.30 0.50 0.20
assign (resid 64 and name HN )(resid 73 and name O ) 2.30 0.50 0.20
assign (resid 73 and name HN )(resid 64 and name O ) 2.30 0.50 0.20
assign (resid 66 and name HN )(resid 71 and name O ) 2.30 0.50 0.20
assign (resid 71 and name HN )(resid 66 and name O ) 2.30 0.50 0.20
assign (resid 90 and name HN )(resid 52 and name O ) 2.30 0.50 0.20
assign (resid 3 and name N )(resid 46 and name O ) 3.00 0.50 0.30
assign (resid 46 and name N )(resid 3 and name O ) 3.00 0.50 0.30
assign (resid 5 and name N )(resid 44 and name O ) 3.00 0.50 0.30
assign (resid 44 and name N )(resid 5 and name O ) 3.00 0.50 0.30
assign (resid 15 and name N )(resid 23 and name O ) 3.00 0.50 0.30
assign (resid 37 and name N )(resid 29 and name O ) 3.00 0.50 0.30
assign (resid 29 and name N )(resid 37 and name O ) 3.00 0.50 0.30
assign (resid 36 and name N )(resid 47 and name O ) 3.00 0.50 0.30
assign (resid 47 and name N )(resid 36 and name O ) 3.00 0.50 0.30
assign (resid 38 and name N )(resid 45 and name O ) 3.00 0.50 0.30
assign (resid 45 and name N )(resid 38 and name O ) 3.00 0.50 0.30
assign (resid 62 and name N )(resid 75 and name O ) 3.00 0.50 0.30
assign (resid 75 and name N )(resid 62 and name O ) 3.00 0.50 0.30
assign (resid 64 and name N )(resid 73 and name O ) 3.00 0.50 0.30
assign (resid 73 and name N )(resid 64 and name O ) 3.00 0.50 0.30
assign (resid 66 and name N )(resid 71 and name O ) 3.00 0.50 0.30
assign (resid 71 and name N )(resid 66 and name O ) 3.00 0.50 0.30
assign (resid 90 and name N )(resid 52 and name O ) 3.00 0.50 0.30
set echo=true end
set wrnlev=5 end
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