NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
1759 |
1axh   |
4233 | cing | 1-original | 3 | XPLOR/CNS | distance | general distance | simple |
! Interproton distance restraints used for X-PLOR 3.1 refinement of ! atracotoxin-HVI from Hadronyche versuta ! range |i-j| = 0 assign (resid 3 and name HN )(resid 3 and name HB ) 0.00 0.00 3.50 assign (resid 4 and name HN )(resid 4 and name HB2 ) 0.00 0.00 3.50 assign (resid 4 and name HN )(resid 4 and name HB1 ) 0.00 0.00 3.50 assign (resid 5 and name HN )(resid 5 and name HB ) 0.00 0.00 2.80 assign (resid 5 and name HN )(resid 5 and name HG1* ) 0.00 0.00 4.50 assign (resid 5 and name HN )(resid 5 and name HD* ) 0.00 0.00 5.00 assign (resid 7 and name HN )(resid 7 and name HA ) 0.00 0.00 2.80 assign (resid 7 and name HN )(resid 7 and name HB* ) 0.00 0.00 3.80 assign (resid 8 and name HN )(resid 8 and name HA2 ) 0.00 0.00 2.80 assign (resid 9 and name HN )(resid 9 and name HB2 ) 0.00 0.00 3.50 assign (resid 9 and name HN )(resid 9 and name HB1 ) 0.00 0.00 3.50 assign (resid 9 and name HN )(resid 9 and name HG2 ) 0.00 0.00 5.00 assign (resid 9 and name HN )(resid 9 and name HG1 ) 0.00 0.00 5.00 assign (resid 11 and name HA )(resid 11 and name HB1 ) 0.00 0.00 2.80 assign (resid 14 and name HN )(resid 14 and name HB2 ) 0.00 0.00 3.50 assign (resid 14 and name HN )(resid 14 and name HB1 ) 0.00 0.00 3.50 assign (resid 14 and name HN )(resid 14 and name HD21 ) 0.00 0.00 5.00 assign (resid 14 and name HN )(resid 14 and name HD22 ) 0.00 0.00 5.00 assign (resid 14 and name HB2 )(resid 14 and name HD21 ) 0.00 0.00 3.50 assign (resid 14 and name HB2 )(resid 14 and name HD22 ) 0.00 0.00 3.50 assign (resid 14 and name HB1 )(resid 14 and name HD22 ) 0.00 0.00 3.50 assign (resid 15 and name HN )(resid 15 and name HG2 ) 0.00 0.00 5.00 assign (resid 15 and name HN )(resid 15 and name HG1 ) 0.00 0.00 5.00 assign (resid 16 and name HN )(resid 16 and name HB2 ) 0.00 0.00 3.50 assign (resid 16 and name HB1 )(resid 16 and name HD21 ) 0.00 0.00 3.50 assign (resid 16 and name HB1 )(resid 16 and name HD22 ) 0.00 0.00 3.50 assign (resid 17 and name HN )(resid 17 and name HB2 ) 0.00 0.00 3.50 assign (resid 17 and name HN )(resid 17 and name HB1 ) 0.00 0.00 3.50 assign (resid 18 and name HN )(resid 18 and name HB2 ) 0.00 0.00 2.80 assign (resid 18 and name HN )(resid 18 and name HB1 ) 0.00 0.00 3.50 assign (resid 19 and name HN )(resid 19 and name HA ) 0.00 0.00 2.80 assign (resid 19 and name HA )(resid 19 and name HB2 ) 0.00 0.00 2.80 assign (resid 19 and name HA )(resid 19 and name HB1 ) 0.00 0.00 2.80 assign (resid 20 and name HN )(resid 20 and name HA ) 0.00 0.00 2.80 assign (resid 20 and name HN )(resid 20 and name HG* ) 0.00 0.00 6.00 assign (resid 20 and name HN )(resid 20 and name HE21 ) 0.00 0.00 5.00 assign (resid 20 and name HN )(resid 20 and name HE22 ) 0.00 0.00 5.00 assign (resid 20 and name HA )(resid 20 and name HB1 ) 0.00 0.00 2.80 assign (resid 20 and name HA )(resid 20 and name HE21 ) 0.00 0.00 5.00 assign (resid 20 and name HA )(resid 20 and name HE22 ) 0.00 0.00 5.00 assign (resid 21 and name HN )(resid 21 and name HB2 ) 0.00 0.00 3.50 assign (resid 21 and name HN )(resid 21 and name HB1 ) 0.00 0.00 3.50 assign (resid 22 and name HN )(resid 22 and name HB2 ) 0.00 0.00 3.50 assign (resid 22 and name HN )(resid 22 and name HB1 ) 0.00 0.00 3.50 assign (resid 23 and name HN )(resid 23 and name HB ) 0.00 0.00 3.50 assign (resid 23 and name HA )(resid 23 and name HB ) 0.00 0.00 2.80 assign (resid 24 and name HN )(resid 24 and name HB* ) 0.00 0.00 3.80 assign (resid 24 and name HN )(resid 24 and name CZ ) 0.00 0.00 7.00 assign (resid 25 and name HN )(resid 25 and name HG* ) 0.00 0.00 4.50 assign (resid 25 and name HN )(resid 25 and name HD* ) 0.00 0.00 6.00 assign (resid 25 and name HB* )(resid 25 and name HE* ) 0.00 0.00 5.50 assign (resid 26 and name HN )(resid 26 and name HA ) 0.00 0.00 2.80 assign (resid 26 and name HN )(resid 26 and name HB2 ) 0.00 0.00 2.80 assign (resid 26 and name HN )(resid 26 and name HB1 ) 0.00 0.00 2.80 assign (resid 26 and name HN )(resid 26 and name HG2 ) 0.00 0.00 5.00 assign (resid 26 and name HN )(resid 26 and name HG1 ) 0.00 0.00 5.00 assign (resid 27 and name HN )(resid 27 and name HB2 ) 0.00 0.00 3.50 assign (resid 27 and name HN )(resid 27 and name HB1 ) 0.00 0.00 3.50 assign (resid 27 and name HN )(resid 27 and name HD21 ) 0.00 0.00 5.00 assign (resid 27 and name HN )(resid 27 and name HD22 ) 0.00 0.00 5.00 assign (resid 28 and name HN )(resid 28 and name HA ) 0.00 0.00 2.80 assign (resid 28 and name HN )(resid 28 and name HB2 ) 0.00 0.00 2.80 assign (resid 28 and name HN )(resid 28 and name HB1 ) 0.00 0.00 2.80 assign (resid 28 and name HN )(resid 28 and name HG* ) 0.00 0.00 4.50 assign (resid 29 and name HN )(resid 29 and name HB2 ) 0.00 0.00 3.50 assign (resid 29 and name HN )(resid 29 and name HB1 ) 0.00 0.00 2.80 assign (resid 29 and name HB1 )(resid 29 and name HD21 ) 0.00 0.00 3.50 assign (resid 29 and name HB1 )(resid 29 and name HD22 ) 0.00 0.00 3.50 assign (resid 30 and name HN )(resid 30 and name HA2 ) 0.00 0.00 2.80 assign (resid 30 and name HN )(resid 30 and name HA1 ) 0.00 0.00 2.80 assign (resid 31 and name HN )(resid 31 and name HB2 ) 0.00 0.00 2.80 assign (resid 31 and name HN )(resid 31 and name HB1 ) 0.00 0.00 3.50 assign (resid 31 and name HB2 )(resid 31 and name HD21 ) 0.00 0.00 3.50 assign (resid 31 and name HB1 )(resid 31 and name HD21 ) 0.00 0.00 3.50 assign (resid 32 and name HN )(resid 32 and name HB ) 0.00 0.00 3.50 assign (resid 32 and name HN )(resid 32 and name HG2* ) 0.00 0.00 4.30 assign (resid 33 and name HN )(resid 33 and name HB ) 0.00 0.00 3.50 assign (resid 34 and name HN )(resid 34 and name HB2 ) 0.00 0.00 2.80 assign (resid 34 and name HN )(resid 34 and name HB1 ) 0.00 0.00 3.50 assign (resid 34 and name HN )(resid 34 and name HG2 ) 0.00 0.00 5.00 assign (resid 34 and name HN )(resid 34 and name HG1 ) 0.00 0.00 3.50 assign (resid 34 and name HA )(resid 34 and name HG2 ) 0.00 0.00 3.50 assign (resid 35 and name HN )(resid 35 and name HG2 ) 0.00 0.00 5.00 assign (resid 35 and name HN )(resid 35 and name HG1 ) 0.00 0.00 5.00 assign (resid 35 and name HA )(resid 35 and name HG2 ) 0.00 0.00 3.50 assign (resid 35 and name HA )(resid 35 and name HG1 ) 0.00 0.00 3.50 assign (resid 35 and name HA )(resid 35 and name HD* ) 0.00 0.00 6.00 assign (resid 35 and name HB* )(resid 35 and name HE ) 0.00 0.00 4.50 assign (resid 35 and name HG2 )(resid 35 and name HE ) 0.00 0.00 3.50 assign (resid 35 and name HG1 )(resid 35 and name HE ) 0.00 0.00 3.50 assign (resid 35 and name HD2 )(resid 35 and name HE ) 0.00 0.00 2.80 assign (resid 35 and name HD1 )(resid 35 and name HE ) 0.00 0.00 2.80 assign (resid 36 and name HN )(resid 36 and name HB2 ) 0.00 0.00 3.50 assign (resid 36 and name HN )(resid 36 and name HB1 ) 0.00 0.00 3.50 assign (resid 37 and name HN )(resid 37 and name HB2 ) 0.00 0.00 2.80 assign (resid 37 and name HN )(resid 37 and name HB1 ) 0.00 0.00 3.50 assign (resid 37 and name HA )(resid 37 and name HB1 ) 0.00 0.00 2.80 ! total in this range: 97 ! range |i-j| = 1 assign (resid 2 and name HA )(resid 3 and name HN ) 0.00 0.00 3.50 assign (resid 3 and name HN )(resid 4 and name HN ) 0.00 0.00 5.00 assign (resid 3 and name HA )(resid 4 and name HN ) 0.00 0.00 3.50 assign (resid 3 and name HB )(resid 4 and name HN ) 0.00 0.00 3.50 assign (resid 3 and name HG2* )(resid 4 and name HN ) 0.00 0.00 6.50 assign (resid 4 and name HA )(resid 5 and name HN ) 0.00 0.00 3.50 assign (resid 4 and name HA )(resid 5 and name HB ) 0.00 0.00 5.00 assign (resid 4 and name HA )(resid 5 and name HG1* ) 0.00 0.00 6.00 assign (resid 4 and name HB2 )(resid 5 and name HN ) 0.00 0.00 5.00 assign (resid 4 and name HB1 )(resid 5 and name HN ) 0.00 0.00 5.00 assign (resid 5 and name HA )(resid 6 and name HD2 ) 0.00 0.00 2.80 assign (resid 5 and name HA )(resid 6 and name HD1 ) 0.00 0.00 2.80 assign (resid 5 and name HG2* )(resid 6 and name HD2 ) 0.00 0.00 5.00 assign (resid 5 and name HD* )(resid 6 and name HD2 ) 0.00 0.00 6.50 assign (resid 5 and name HD* )(resid 6 and name HD1 ) 0.00 0.00 6.50 assign (resid 6 and name HA )(resid 7 and name HN ) 0.00 0.00 2.80 assign (resid 6 and name HB2 )(resid 7 and name HN ) 0.00 0.00 2.80 assign (resid 6 and name HB1 )(resid 7 and name HN ) 0.00 0.00 3.50 assign (resid 7 and name HN )(resid 8 and name HN ) 0.00 0.00 5.00 assign (resid 7 and name HA )(resid 8 and name HN ) 0.00 0.00 3.30 assign (resid 8 and name HN )(resid 9 and name HN ) 0.00 0.00 5.00 assign (resid 9 and name HA )(resid 10 and name HD2 ) 0.00 0.00 3.50 assign (resid 9 and name HA )(resid 10 and name HD1 ) 0.00 0.00 3.50 assign (resid 9 and name HG* )(resid 10 and name HD2 ) 0.00 0.00 6.00 assign (resid 9 and name HG* )(resid 10 and name HD1 ) 0.00 0.00 6.00 assign (resid 10 and name HA )(resid 11 and name HN ) 0.00 0.00 3.50 assign (resid 11 and name HA )(resid 12 and name HB1 ) 0.00 0.00 5.00 assign (resid 11 and name HA )(resid 12 and name HD1 ) 0.00 0.00 2.80 assign (resid 11 and name HB2 )(resid 12 and name HD1 ) 0.00 0.00 5.00 assign (resid 12 and name HB2 )(resid 13 and name CG ) 0.00 0.00 5.50 assign (resid 12 and name HB2 )(resid 13 and name CZ ) 0.00 0.00 7.00 assign (resid 12 and name HB1 )(resid 13 and name CG ) 0.00 0.00 5.50 assign (resid 12 and name HB1 )(resid 13 and name CZ ) 0.00 0.00 7.00 assign (resid 12 and name HG* )(resid 13 and name CG ) 0.00 0.00 6.50 assign (resid 12 and name HG* )(resid 13 and name CZ ) 0.00 0.00 6.50 assign (resid 12 and name HD2 )(resid 13 and name CZ ) 0.00 0.00 7.00 assign (resid 12 and name HD1 )(resid 13 and name CG ) 0.00 0.00 7.00 assign (resid 12 and name HD1 )(resid 13 and name CZ ) 0.00 0.00 7.00 assign (resid 13 and name HB* )(resid 14 and name HN ) 0.00 0.00 4.50 assign (resid 13 and name CG )(resid 14 and name HN ) 0.00 0.00 7.00 assign (resid 14 and name HB2 )(resid 15 and name HN ) 0.00 0.00 5.00 assign (resid 14 and name HB1 )(resid 15 and name HN ) 0.00 0.00 5.00 assign (resid 15 and name HN )(resid 16 and name HN ) 0.00 0.00 5.00 assign (resid 15 and name HG* )(resid 16 and name HA ) 0.00 0.00 6.00 assign (resid 16 and name HN )(resid 17 and name HN ) 0.00 0.00 5.00 assign (resid 16 and name HB2 )(resid 17 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HA )(resid 18 and name HN ) 0.00 0.00 3.50 assign (resid 17 and name HB2 )(resid 18 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HB1 )(resid 18 and name HN ) 0.00 0.00 3.50 assign (resid 18 and name HN )(resid 19 and name HN ) 0.00 0.00 3.50 assign (resid 18 and name HN )(resid 19 and name HB1 ) 0.00 0.00 5.00 assign (resid 18 and name HA )(resid 19 and name HN ) 0.00 0.00 3.50 assign (resid 18 and name HB2 )(resid 19 and name HN ) 0.00 0.00 3.50 assign (resid 18 and name HB1 )(resid 19 and name HN ) 0.00 0.00 3.50 assign (resid 19 and name HN )(resid 20 and name HN ) 0.00 0.00 2.80 assign (resid 19 and name HN )(resid 20 and name HA ) 0.00 0.00 5.00 assign (resid 19 and name HA )(resid 20 and name HN ) 0.00 0.00 3.50 assign (resid 20 and name HN )(resid 21 and name HN ) 0.00 0.00 3.50 assign (resid 20 and name HA )(resid 21 and name HN ) 0.00 0.00 3.50 assign (resid 20 and name HG* )(resid 21 and name HN ) 0.00 0.00 6.00 assign (resid 21 and name HN )(resid 22 and name HN ) 0.00 0.00 5.00 assign (resid 21 and name HA )(resid 22 and name HN ) 0.00 0.00 2.80 assign (resid 21 and name HB2 )(resid 22 and name HN ) 0.00 0.00 5.00 assign (resid 21 and name HB1 )(resid 22 and name HN ) 0.00 0.00 5.00 assign (resid 22 and name HN )(resid 23 and name HN ) 0.00 0.00 5.00 assign (resid 22 and name HN )(resid 23 and name HG2* ) 0.00 0.00 6.50 assign (resid 22 and name HA )(resid 23 and name HN ) 0.00 0.00 3.50 assign (resid 22 and name HA )(resid 23 and name HA ) 0.00 0.00 5.00 assign (resid 22 and name HB2 )(resid 23 and name HN ) 0.00 0.00 5.00 assign (resid 22 and name HB1 )(resid 23 and name HN ) 0.00 0.00 3.50 assign (resid 23 and name HA )(resid 24 and name HN ) 0.00 0.00 2.80 assign (resid 23 and name HB )(resid 24 and name HN ) 0.00 0.00 3.50 assign (resid 23 and name HG2* )(resid 24 and name HN ) 0.00 0.00 5.00 assign (resid 24 and name HN )(resid 25 and name HN ) 0.00 0.00 5.00 assign (resid 24 and name HA )(resid 25 and name HN ) 0.00 0.00 2.80 assign (resid 24 and name HB* )(resid 25 and name HA ) 0.00 0.00 6.00 assign (resid 24 and name CG )(resid 25 and name HN ) 0.00 0.00 5.50 assign (resid 25 and name HN )(resid 26 and name HN ) 0.00 0.00 5.00 assign (resid 25 and name HB* )(resid 26 and name HN ) 0.00 0.00 3.80 assign (resid 25 and name HG2 )(resid 26 and name HN ) 0.00 0.00 5.00 assign (resid 25 and name HG1 )(resid 26 and name HN ) 0.00 0.00 5.00 assign (resid 25 and name HD* )(resid 26 and name HN ) 0.00 0.00 6.00 assign (resid 26 and name HA )(resid 27 and name HN ) 0.00 0.00 2.80 assign (resid 26 and name HB2 )(resid 27 and name HN ) 0.00 0.00 4.50 assign (resid 26 and name HB1 )(resid 27 and name HN ) 0.00 0.00 4.50 assign (resid 26 and name HG2 )(resid 27 and name HN ) 0.00 0.00 5.00 assign (resid 26 and name HG1 )(resid 27 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HA )(resid 28 and name HN ) 0.00 0.00 3.50 assign (resid 27 and name HB2 )(resid 28 and name HN ) 0.00 0.00 3.50 assign (resid 27 and name HB1 )(resid 28 and name HN ) 0.00 0.00 2.80 assign (resid 27 and name HD21 )(resid 28 and name HN ) 0.00 0.00 5.00 assign (resid 28 and name HN )(resid 29 and name HN ) 0.00 0.00 3.50 assign (resid 28 and name HA )(resid 29 and name HN ) 0.00 0.00 3.50 assign (resid 28 and name HB2 )(resid 29 and name HN ) 0.00 0.00 5.00 assign (resid 28 and name HB1 )(resid 29 and name HN ) 0.00 0.00 5.00 assign (resid 28 and name HG* )(resid 29 and name HN ) 0.00 0.00 6.00 assign (resid 29 and name HN )(resid 30 and name HN ) 0.00 0.00 3.50 assign (resid 29 and name HB2 )(resid 30 and name HN ) 0.00 0.00 5.00 assign (resid 29 and name HB1 )(resid 30 and name HN ) 0.00 0.00 5.00 assign (resid 29 and name HB1 )(resid 30 and name HA1 ) 0.00 0.00 5.00 assign (resid 30 and name HN )(resid 31 and name HN ) 0.00 0.00 2.80 assign (resid 30 and name HA2 )(resid 31 and name HN ) 0.00 0.00 3.50 assign (resid 30 and name HA1 )(resid 31 and name HN ) 0.00 0.00 3.50 assign (resid 31 and name HN )(resid 32 and name HN ) 0.00 0.00 5.00 assign (resid 31 and name HA )(resid 32 and name HN ) 0.00 0.00 2.80 assign (resid 31 and name HA )(resid 32 and name HG2* ) 0.00 0.00 6.50 assign (resid 31 and name HB2 )(resid 32 and name HN ) 0.00 0.00 3.50 assign (resid 31 and name HB1 )(resid 32 and name HN ) 0.00 0.00 3.50 assign (resid 32 and name HN )(resid 33 and name HN ) 0.00 0.00 5.00 assign (resid 32 and name HN )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 32 and name HA )(resid 33 and name HN ) 0.00 0.00 2.80 assign (resid 32 and name HA )(resid 33 and name HB ) 0.00 0.00 5.00 assign (resid 32 and name HA )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 32 and name HG2* )(resid 33 and name HN ) 0.00 0.00 5.00 assign (resid 33 and name HA )(resid 34 and name HN ) 0.00 0.00 2.80 assign (resid 33 and name HB )(resid 34 and name HN ) 0.00 0.00 2.80 assign (resid 33 and name HG1* )(resid 34 and name HN ) 0.00 0.00 3.80 assign (resid 34 and name HA )(resid 35 and name HN ) 0.00 0.00 2.80 assign (resid 34 and name HB* )(resid 35 and name HN ) 0.00 0.00 6.00 assign (resid 34 and name HG2 )(resid 35 and name HN ) 0.00 0.00 5.00 assign (resid 34 and name HG1 )(resid 35 and name HN ) 0.00 0.00 5.00 assign (resid 35 and name HA )(resid 36 and name HN ) 0.00 0.00 2.80 assign (resid 35 and name HB2 )(resid 36 and name HN ) 0.00 0.00 3.50 assign (resid 35 and name HB1 )(resid 36 and name HN ) 0.00 0.00 3.50 assign (resid 35 and name HG* )(resid 36 and name HN ) 0.00 0.00 6.00 assign (resid 36 and name HN )(resid 37 and name HN ) 0.00 0.00 5.00 assign (resid 36 and name HA )(resid 37 and name HN ) 0.00 0.00 2.80 assign (resid 36 and name HB2 )(resid 37 and name HN ) 0.00 0.00 5.00 ! total in this range: 128 ! range |i-j| = 2 assign (resid 5 and name HG2* )(resid 7 and name HN ) 0.00 0.00 6.50 assign (resid 7 and name HA )(resid 9 and name HN ) 0.00 0.00 5.00 assign (resid 13 and name HB* )(resid 15 and name HN ) 0.00 0.00 6.00 assign (resid 13 and name CG )(resid 15 and name HN ) 0.00 0.00 7.00 assign (resid 13 and name CG )(resid 15 and name HB* ) 0.00 0.00 7.00 assign (resid 13 and name CZ )(resid 15 and name HB* ) 0.00 0.00 7.00 assign (resid 15 and name HA )(resid 17 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HA )(resid 19 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HB2 )(resid 19 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HB1 )(resid 19 and name HN ) 0.00 0.00 2.80 assign (resid 18 and name HN )(resid 20 and name HN ) 0.00 0.00 5.00 assign (resid 18 and name HA )(resid 20 and name HN ) 0.00 0.00 5.00 assign (resid 19 and name HN )(resid 21 and name HN ) 0.00 0.00 5.00 assign (resid 19 and name HA )(resid 21 and name HN ) 0.00 0.00 5.00 assign (resid 19 and name HB2 )(resid 21 and name HN ) 0.00 0.00 5.00 assign (resid 19 and name HB1 )(resid 21 and name HN ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 19 and name OG )(resid 21 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 19 and name OG )(resid 21 and name HN ) 2.20 0.20 0.00 assign (resid 27 and name HB2 )(resid 29 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HB1 )(resid 29 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HD21 )(resid 29 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HD22 )(resid 29 and name HN ) 0.00 0.00 5.00 assign (resid 28 and name HN )(resid 30 and name HN ) 0.00 0.00 5.00 assign (resid 28 and name HA )(resid 30 and name HN ) 0.00 0.00 5.00 assign (resid 29 and name HN )(resid 31 and name HN ) 0.00 0.00 5.00 assign (resid 29 and name HD2* )(resid 31 and name HD21 ) 0.00 0.00 6.00 assign (resid 31 and name HB2 )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 31 and name HB1 )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 33 and name HB )(resid 35 and name HE ) 0.00 0.00 5.00 assign (resid 33 and name HG* )(resid 35 and name HA ) 0.00 0.00 7.90 assign (resid 33 and name HG* )(resid 35 and name HG2 ) 0.00 0.00 7.90 assign (resid 33 and name HG* )(resid 35 and name HG1 ) 0.00 0.00 7.90 assign (resid 33 and name HG* )(resid 35 and name HD2 ) 0.00 0.00 7.90 assign (resid 33 and name HG* )(resid 35 and name HD1 ) 0.00 0.00 7.90 assign (resid 33 and name HG* )(resid 35 and name HE ) 0.00 0.00 6.40 ! total in this range: 35 ! range |i-j| = 3 assign (resid 6 and name HG2 )(resid 9 and name HE21 ) 0.00 0.00 5.00 assign (resid 6 and name HG2 )(resid 9 and name HE22 ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 6 and name O )(resid 9 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 6 and name O )(resid 9 and name HN ) 2.20 0.20 0.00 ! hydrogen bond assign (resid 13 and name O )(resid 16 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 13 and name O )(resid 16 and name HN ) 2.20 0.20 0.00 assign (resid 17 and name HN )(resid 20 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HN )(resid 20 and name HA ) 0.00 0.00 5.00 assign (resid 17 and name HB2 )(resid 20 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HB2 )(resid 20 and name HA ) 0.00 0.00 3.50 assign (resid 17 and name HB1 )(resid 20 and name HN ) 0.00 0.00 3.50 assign (resid 17 and name HB1 )(resid 20 and name HA ) 0.00 0.00 3.50 assign (resid 17 and name HB* )(resid 20 and name HN ) 0.00 0.00 3.80 ! hydrogen bond assign (resid 17 and name O )(resid 20 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 17 and name O )(resid 20 and name HN ) 2.20 0.20 0.00 assign (resid 27 and name HB2 )(resid 30 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HB1 )(resid 30 and name HN ) 0.00 0.00 5.00 assign (resid 28 and name HN )(resid 31 and name HN ) 0.00 0.00 5.00 ! total in this range: 18 ! range |i-j| = 4 assign (resid 5 and name HG2* )(resid 9 and name HB2 ) 0.00 0.00 4.30 assign (resid 5 and name HG2* )(resid 9 and name HB1 ) 0.00 0.00 4.30 assign (resid 5 and name HG2* )(resid 9 and name HG2 ) 0.00 0.00 5.00 assign (resid 5 and name HG2* )(resid 9 and name HG1 ) 0.00 0.00 5.00 assign (resid 5 and name HD* )(resid 9 and name HB1 ) 0.00 0.00 6.00 assign (resid 12 and name HB* )(resid 16 and name HD2* ) 0.00 0.00 7.00 assign (resid 12 and name HG* )(resid 16 and name HD2* ) 0.00 0.00 7.00 assign (resid 12 and name HD2 )(resid 16 and name HB2 ) 0.00 0.00 3.50 assign (resid 12 and name HD2 )(resid 16 and name HB1 ) 0.00 0.00 3.50 assign (resid 12 and name HD1 )(resid 16 and name HD2* ) 0.00 0.00 6.00 assign (resid 17 and name HB2 )(resid 21 and name HN ) 0.00 0.00 5.00 assign (resid 17 and name HB1 )(resid 21 and name HN ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 27 and name N )(resid 31 and name O ) 3.20 0.30 0.00 assign (resid 27 and name HN )(resid 31 and name HN ) 0.00 0.00 3.50 ! hydrogen bond assign (resid 27 and name HN )(resid 31 and name O ) 2.20 0.20 0.00 assign (resid 27 and name HD21 )(resid 31 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HD21 )(resid 31 and name HB2 ) 0.00 0.00 5.00 assign (resid 27 and name HD21 )(resid 31 and name HB1 ) 0.00 0.00 5.00 assign (resid 27 and name HD22 )(resid 31 and name HN ) 0.00 0.00 5.00 assign (resid 27 and name HD22 )(resid 31 and name HB2 ) 0.00 0.00 3.50 assign (resid 27 and name HD22 )(resid 31 and name HB1 ) 0.00 0.00 3.50 ! total in this range: 21 ! range |i-j| = 5 assign (resid 15 and name HA )(resid 20 and name HB1 ) 0.00 0.00 5.00 assign (resid 15 and name HA )(resid 20 and name HE21 ) 0.00 0.00 5.00 assign (resid 15 and name HA )(resid 20 and name HE22 ) 0.00 0.00 5.00 ! total in this range: 3 ! range |i-j| = 6 assign (resid 5 and name HB )(resid 11 and name HB2 ) 0.00 0.00 5.00 assign (resid 5 and name HB )(resid 11 and name HB1 ) 0.00 0.00 5.00 assign (resid 5 and name HG2* )(resid 11 and name HA ) 0.00 0.00 6.50 assign (resid 5 and name HG2* )(resid 11 and name HB2 ) 0.00 0.00 6.50 assign (resid 5 and name HG2* )(resid 11 and name HB1 ) 0.00 0.00 5.00 assign (resid 5 and name HG1* )(resid 11 and name HA ) 0.00 0.00 6.00 assign (resid 5 and name HD* )(resid 11 and name HA ) 0.00 0.00 4.80 assign (resid 5 and name HD* )(resid 11 and name HB2 ) 0.00 0.00 5.00 assign (resid 11 and name HB2 )(resid 17 and name HB2 ) 0.00 0.00 5.00 assign (resid 26 and name HA )(resid 32 and name HA ) 0.00 0.00 2.80 assign (resid 26 and name HA )(resid 32 and name HG2* ) 0.00 0.00 6.50 assign (resid 27 and name HN )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 27 and name HA )(resid 33 and name HG2* ) 0.00 0.00 6.50 assign (resid 27 and name HB2 )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 27 and name HB1 )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 27 and name HD21 )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 27 and name HD22 )(resid 33 and name HG* ) 0.00 0.00 7.90 ! total in this range: 17 ! range |i-j| = 7 assign (resid 5 and name HG2* )(resid 12 and name HD1 ) 0.00 0.00 6.50 assign (resid 5 and name HD* )(resid 12 and name HD2 ) 0.00 0.00 4.30 assign (resid 5 and name HD* )(resid 12 and name HD1 ) 0.00 0.00 5.00 assign (resid 14 and name HB2 )(resid 21 and name HA ) 0.00 0.00 5.00 assign (resid 14 and name HB1 )(resid 21 and name HA ) 0.00 0.00 5.00 assign (resid 25 and name HN )(resid 32 and name HG2* ) 0.00 0.00 6.50 ! total in this range: 6 ! range |i-j| = 8 assign (resid 14 and name HN )(resid 22 and name HN ) 0.00 0.00 5.00 assign (resid 14 and name HN )(resid 22 and name HB1 ) 0.00 0.00 5.00 assign (resid 14 and name HA )(resid 22 and name HN ) 0.00 0.00 3.50 assign (resid 14 and name HA )(resid 22 and name HB1 ) 0.00 0.00 3.50 assign (resid 14 and name HB1 )(resid 22 and name HN ) 0.00 0.00 5.00 assign (resid 24 and name HB* )(resid 32 and name HG2* ) 0.00 0.00 5.30 assign (resid 24 and name CG )(resid 32 and name HB ) 0.00 0.00 7.00 assign (resid 24 and name CG )(resid 32 and name HG2* ) 0.00 0.00 5.30 assign (resid 24 and name CZ )(resid 32 and name HG2* ) 0.00 0.00 7.00 ! hydrogen bond assign (resid 25 and name N )(resid 33 and name O ) 3.20 0.30 0.00 assign (resid 25 and name HN )(resid 33 and name HN ) 0.00 0.00 3.50 assign (resid 25 and name HN )(resid 33 and name HG* ) 0.00 0.00 7.40 ! hydrogen bond assign (resid 25 and name HN )(resid 33 and name O ) 2.20 0.20 0.00 assign (resid 25 and name HD* )(resid 33 and name HG* ) 0.00 0.00 8.90 ! hydrogen bond assign (resid 25 and name O )(resid 33 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 25 and name O )(resid 33 and name HN ) 2.20 0.20 0.00 ! total in this range: 16 ! range |i-j| = 9 assign (resid 24 and name CG )(resid 33 and name HN ) 0.00 0.00 7.00 assign (resid 24 and name CG )(resid 33 and name HA ) 0.00 0.00 7.00 assign (resid 24 and name CZ )(resid 33 and name HN ) 0.00 0.00 7.00 assign (resid 24 and name CZ )(resid 33 and name HA ) 0.00 0.00 7.00 assign (resid 24 and name HZ )(resid 33 and name HA ) 0.00 0.00 5.00 assign (resid 25 and name HN )(resid 34 and name HA ) 0.00 0.00 5.00 assign (resid 25 and name HN )(resid 34 and name HG2 ) 0.00 0.00 5.00 ! total in this range: 7 ! range |i-j| = 10 assign (resid 24 and name HN )(resid 34 and name HG2 ) 0.00 0.00 5.00 assign (resid 24 and name HN )(resid 34 and name HG1 ) 0.00 0.00 5.00 assign (resid 24 and name HA )(resid 34 and name HA ) 0.00 0.00 2.80 assign (resid 24 and name HA )(resid 34 and name HB1 ) 0.00 0.00 5.00 assign (resid 24 and name HA )(resid 34 and name HG2 ) 0.00 0.00 5.00 assign (resid 24 and name HA )(resid 34 and name HG1 ) 0.00 0.00 5.00 assign (resid 24 and name HB* )(resid 34 and name HA ) 0.00 0.00 4.50 assign (resid 24 and name HB* )(resid 34 and name HG2 ) 0.00 0.00 6.00 assign (resid 24 and name HB* )(resid 34 and name HG1 ) 0.00 0.00 6.00 assign (resid 24 and name CG )(resid 34 and name HN ) 0.00 0.00 7.00 assign (resid 24 and name CG )(resid 34 and name HA ) 0.00 0.00 7.00 assign (resid 24 and name CG )(resid 34 and name HG2 ) 0.00 0.00 5.50 assign (resid 24 and name CG )(resid 34 and name HG1 ) 0.00 0.00 5.50 assign (resid 24 and name CZ )(resid 34 and name HN ) 0.00 0.00 7.00 assign (resid 24 and name CZ )(resid 34 and name HG2 ) 0.00 0.00 7.00 assign (resid 24 and name CZ )(resid 34 and name HG1 ) 0.00 0.00 5.50 assign (resid 25 and name HN )(resid 35 and name HD* ) 0.00 0.00 4.50 assign (resid 25 and name HB* )(resid 35 and name HE ) 0.00 0.00 6.00 assign (resid 25 and name HG* )(resid 35 and name HE ) 0.00 0.00 6.00 assign (resid 25 and name HD* )(resid 35 and name HE ) 0.00 0.00 6.00 ! total in this range: 20 ! range |i-j| = 11 ! hydrogen bond assign (resid 5 and name N )(resid 16 and name O ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 5 and name HN )(resid 16 and name O ) 2.20 0.20 0.00 assign (resid 5 and name HG1* )(resid 16 and name HB1 ) 0.00 0.00 6.00 assign (resid 5 and name HD* )(resid 16 and name HB2 ) 0.00 0.00 5.00 assign (resid 5 and name HD* )(resid 16 and name HB1 ) 0.00 0.00 5.00 assign (resid 5 and name HD* )(resid 16 and name HD21 ) 0.00 0.00 6.50 assign (resid 5 and name HD* )(resid 16 and name HD22 ) 0.00 0.00 6.50 assign (resid 7 and name HN )(resid 18 and name HN ) 0.00 0.00 5.00 assign (resid 7 and name HN )(resid 18 and name HB2 ) 0.00 0.00 5.00 assign (resid 24 and name HB* )(resid 35 and name HN ) 0.00 0.00 6.00 ! total in this range: 10 ! range |i-j| = 12 assign (resid 5 and name HN )(resid 17 and name HA ) 0.00 0.00 3.50 assign (resid 5 and name HB )(resid 17 and name HA ) 0.00 0.00 3.00 assign (resid 5 and name HG2* )(resid 17 and name HA ) 0.00 0.00 6.50 assign (resid 5 and name HG1* )(resid 17 and name HA ) 0.00 0.00 6.00 assign (resid 5 and name HD* )(resid 17 and name HA ) 0.00 0.00 6.50 assign (resid 23 and name HN )(resid 35 and name HN ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 23 and name O )(resid 35 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 23 and name O )(resid 35 and name HN ) 2.20 0.20 0.00 ! total in this range: 8 ! range |i-j| = 13 assign (resid 4 and name HB2 )(resid 17 and name HA ) 0.00 0.00 5.00 assign (resid 5 and name HB )(resid 18 and name HN ) 0.00 0.00 3.50 assign (resid 5 and name HG2* )(resid 18 and name HN ) 0.00 0.00 6.50 ! hydrogen bond assign (resid 5 and name O )(resid 18 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 5 and name O )(resid 18 and name HN ) 2.20 0.20 0.00 assign (resid 23 and name HN )(resid 36 and name HA ) 0.00 0.00 5.00 assign (resid 23 and name HG2* )(resid 36 and name HN ) 0.00 0.00 5.00 assign (resid 23 and name HG2* )(resid 36 and name HA ) 0.00 0.00 6.50 ! total in this range: 8 ! range |i-j| = 14 assign (resid 4 and name HB2 )(resid 18 and name HN ) 0.00 0.00 3.50 assign (resid 4 and name HB2 )(resid 18 and name HA ) 0.00 0.00 3.50 assign (resid 4 and name HB1 )(resid 18 and name HN ) 0.00 0.00 5.00 assign (resid 4 and name HB1 )(resid 18 and name HA ) 0.00 0.00 3.50 assign (resid 22 and name HA )(resid 36 and name HA ) 0.00 0.00 3.50 assign (resid 23 and name HN )(resid 37 and name HN ) 0.00 0.00 5.00 assign (resid 23 and name HG2* )(resid 37 and name HN ) 0.00 0.00 6.50 ! total in this range: 7 ! range |i-j| = 15 assign (resid 22 and name HA )(resid 37 and name HN ) 0.00 0.00 5.00 ! total in this range: 1 ! range |i-j| = 16 assign (resid 21 and name HN )(resid 37 and name HN ) 0.00 0.00 5.00 assign (resid 21 and name HN )(resid 37 and name HB2 ) 0.00 0.00 5.00 assign (resid 21 and name HB2 )(resid 37 and name HN ) 0.00 0.00 5.00 assign (resid 21 and name HB2 )(resid 37 and name HB2 ) 0.00 0.00 3.50 assign (resid 21 and name HB2 )(resid 37 and name HB1 ) 0.00 0.00 3.50 assign (resid 21 and name HB1 )(resid 37 and name HN ) 0.00 0.00 5.00 assign (resid 21 and name HB1 )(resid 37 and name HB2 ) 0.00 0.00 3.50 assign (resid 21 and name HB1 )(resid 37 and name HB1 ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 21 and name O )(resid 37 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 21 and name O )(resid 37 and name HN ) 2.20 0.20 0.00 ! total in this range: 10 ! range |i-j| = 18 assign (resid 19 and name HB* )(resid 37 and name HB2 ) 0.00 0.00 6.00 assign (resid 19 and name HB* )(resid 37 and name HB1 ) 0.00 0.00 6.00 ! total in this range: 2 ! range |i-j| = 19 assign (resid 17 and name HB2 )(resid 36 and name HA ) 0.00 0.00 5.50 assign (resid 17 and name HB1 )(resid 36 and name HA ) 0.00 0.00 5.50 ! total in this range: 2 ! range |i-j| = 23 assign (resid 10 and name HB1 )(resid 33 and name HG* ) 0.00 0.00 7.90 assign (resid 10 and name HG1 )(resid 33 and name HG* ) 0.00 0.00 7.90 ! hydrogen bond assign (resid 11 and name N )(resid 34 and name O ) 3.20 0.30 0.00 assign (resid 11 and name HN )(resid 34 and name HN ) 0.00 0.00 5.50 assign (resid 11 and name HN )(resid 34 and name HB2 ) 0.00 0.00 5.00 assign (resid 11 and name HN )(resid 34 and name HB1 ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 11 and name HN )(resid 34 and name O ) 2.20 0.20 0.00 ! total in this range: 7 ! range |i-j| = 24 assign (resid 11 and name HN )(resid 35 and name HG2 ) 0.00 0.00 5.00 ! total in this range: 1 ! range |i-j| = 25 assign (resid 11 and name HN )(resid 36 and name HN ) 0.00 0.00 5.00 assign (resid 11 and name HB1 )(resid 36 and name HA ) 0.00 0.00 5.50 ! total in this range: 2 ! range |i-j| = 27 assign (resid 8 and name HN )(resid 35 and name HB* ) 0.00 0.00 6.00 assign (resid 8 and name HA2 )(resid 35 and name HB1 ) 0.00 0.00 5.00 assign (resid 8 and name HA2 )(resid 35 and name HD* ) 0.00 0.00 6.00 assign (resid 9 and name HN )(resid 36 and name HN ) 0.00 0.00 5.00 assign (resid 9 and name HN )(resid 36 and name HB2 ) 0.00 0.00 5.00 assign (resid 9 and name HN )(resid 36 and name HB1 ) 0.00 0.00 5.00 ! hydrogen bond assign (resid 9 and name O )(resid 36 and name N ) 3.20 0.30 0.00 ! hydrogen bond assign (resid 9 and name O )(resid 36 and name HN ) 2.20 0.20 0.00 ! total in this range: 8 ! range |i-j| = 28 ! hydrogen bond assign (resid 8 and name N )(resid 36 and name O ) 3.20 0.30 0.00 assign (resid 8 and name HN )(resid 36 and name HN ) 0.00 0.00 5.50 assign (resid 8 and name HN )(resid 36 and name HB2 ) 0.00 0.00 5.00 assign (resid 8 and name HN )(resid 36 and name HB1 ) 0.00 0.00 3.50 ! hydrogen bond assign (resid 8 and name HN )(resid 36 and name O ) 2.20 0.20 0.00 assign (resid 8 and name HA2 )(resid 36 and name HB1 ) 0.00 0.00 5.00 ! total in this range: 6 ! range |i-j| = 29 assign (resid 7 and name HN )(resid 36 and name HB1 ) 0.00 0.00 5.00 assign (resid 7 and name HA )(resid 36 and name HN ) 0.00 0.00 5.00 assign (resid 7 and name HA )(resid 36 and name HA ) 0.00 0.00 5.00 assign (resid 7 and name HA )(resid 36 and name HB2 ) 0.00 0.00 3.50 assign (resid 7 and name HA )(resid 36 and name HB1 ) 0.00 0.00 2.80 ! total in this range: 5 ! range |i-j| = 31 assign (resid 5 and name HG2* )(resid 36 and name HB2 ) 0.00 0.00 6.50 assign (resid 5 and name HG2* )(resid 36 and name HB1 ) 0.00 0.00 6.50 ! total in this range: 2 ! TOTAL NUMBER OF DISTANCE RESTRAINTS: 447
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