NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16432 |
2a37   |
5923 | cing | 1-original | 6 | XPLOR/CNS | coupling constant |
#
# HNHA J-coupling constraints
#
assign ( resid 2 and name C ) ( resid 3 and name N )
( resid 3 and name CA ) ( resid 3 and name C ) 9.58 0.50
assign ( resid 3 and name C ) ( resid 4 and name N )
( resid 4 and name CA ) ( resid 4 and name C ) 9.54 0.50
assign ( resid 4 and name C ) ( resid 5 and name N )
( resid 5 and name CA ) ( resid 5 and name C ) 4.78 0.50
assign ( resid 5 and name C ) ( resid 6 and name N )
( resid 6 and name CA ) ( resid 6 and name C ) 7.83 0.50
assign ( resid 6 and name C ) ( resid 7 and name N )
( resid 7 and name CA ) ( resid 7 and name C ) 8.09 0.50
assign ( resid 7 and name C ) ( resid 8 and name N )
( resid 8 and name CA ) ( resid 8 and name C ) 9.43 0.50
assign ( resid 8 and name C ) ( resid 9 and name N )
( resid 9 and name CA ) ( resid 9 and name C ) 9.12 0.50
assign ( resid 9 and name C ) ( resid 10 and name N )
( resid 10 and name CA ) ( resid 10 and name C ) 9.73 0.50
assign ( resid 10 and name C ) ( resid 11 and name N )
( resid 11 and name CA ) ( resid 11 and name C ) 3.13 0.50
assign ( resid 11 and name C ) ( resid 12 and name N )
( resid 12 and name CA ) ( resid 12 and name C ) 10.06 0.50
assign ( resid 12 and name C ) ( resid 13 and name N )
( resid 13 and name CA ) ( resid 13 and name C ) 7.40 0.50
assign ( resid 13 and name C ) ( resid 14 and name N )
( resid 14 and name CA ) ( resid 14 and name C ) 3.35 0.50
assign ( resid 14 and name C ) ( resid 15 and name N )
( resid 15 and name CA ) ( resid 15 and name C ) 8.18 0.50
assign ( resid 15 and name C ) ( resid 16 and name N )
( resid 16 and name CA ) ( resid 16 and name C ) 8.79 0.50
assign ( resid 16 and name C ) ( resid 17 and name N )
( resid 17 and name CA ) ( resid 17 and name C ) 9.42 0.50
assign ( resid 17 and name C ) ( resid 18 and name N )
( resid 18 and name CA ) ( resid 18 and name C ) 7.24 0.50
assign ( resid 18 and name C ) ( resid 19 and name N )
( resid 19 and name CA ) ( resid 19 and name C ) 6.04 0.50
assign ( resid 19 and name C ) ( resid 20 and name N )
( resid 20 and name CA ) ( resid 20 and name C ) 9.61 0.50
assign ( resid 21 and name C ) ( resid 22 and name N )
( resid 22 and name CA ) ( resid 22 and name C ) 7.45 0.50
assign ( resid 22 and name C ) ( resid 23 and name N )
( resid 23 and name CA ) ( resid 23 and name C ) 5.78 0.50
assign ( resid 23 and name C ) ( resid 24 and name N )
( resid 24 and name CA ) ( resid 24 and name C ) 8.59 0.50
assign ( resid 24 and name C ) ( resid 25 and name N )
( resid 25 and name CA ) ( resid 25 and name C ) 9.49 0.50
assign ( resid 25 and name C ) ( resid 26 and name N )
( resid 26 and name CA ) ( resid 26 and name C ) 8.65 0.50
assign ( resid 26 and name C ) ( resid 27 and name N )
( resid 27 and name CA ) ( resid 27 and name C ) 8.49 0.50
assign ( resid 27 and name C ) ( resid 28 and name N )
( resid 28 and name CA ) ( resid 28 and name C ) 8.98 0.50
assign ( resid 28 and name C ) ( resid 29 and name N )
( resid 29 and name CA ) ( resid 29 and name C ) 7.60 0.50
assign ( resid 29 and name C ) ( resid 30 and name N )
( resid 30 and name CA ) ( resid 30 and name C ) 9.12 0.50
assign ( resid 30 and name C ) ( resid 31 and name N )
( resid 31 and name CA ) ( resid 31 and name C ) 7.91 0.50
assign ( resid 31 and name C ) ( resid 32 and name N )
( resid 32 and name CA ) ( resid 32 and name C ) 4.94 0.50
assign ( resid 32 and name C ) ( resid 33 and name N )
( resid 33 and name CA ) ( resid 33 and name C ) 8.14 0.50
assign ( resid 33 and name C ) ( resid 34 and name N )
( resid 34 and name CA ) ( resid 34 and name C ) 6.35 0.50
assign ( resid 34 and name C ) ( resid 35 and name N )
( resid 35 and name CA ) ( resid 35 and name C ) 8.55 0.50
assign ( resid 35 and name C ) ( resid 36 and name N )
( resid 36 and name CA ) ( resid 36 and name C ) 9.27 0.50
assign ( resid 36 and name C ) ( resid 37 and name N )
( resid 37 and name CA ) ( resid 37 and name C ) 10.10 0.50
assign ( resid 37 and name C ) ( resid 38 and name N )
( resid 38 and name CA ) ( resid 38 and name C ) 9.11 0.50
assign ( resid 38 and name C ) ( resid 39 and name N )
( resid 39 and name CA ) ( resid 39 and name C ) 9.45 0.50
assign ( resid 40 and name C ) ( resid 41 and name N )
( resid 41 and name CA ) ( resid 41 and name C ) 7.91 0.50
assign ( resid 41 and name C ) ( resid 42 and name N )
( resid 42 and name CA ) ( resid 42 and name C ) 6.49 0.50
assign ( resid 42 and name C ) ( resid 43 and name N )
( resid 43 and name CA ) ( resid 43 and name C ) 5.77 0.50
assign ( resid 43 and name C ) ( resid 44 and name N )
( resid 44 and name CA ) ( resid 44 and name C ) 9.43 0.50
assign ( resid 44 and name C ) ( resid 45 and name N )
( resid 45 and name CA ) ( resid 45 and name C ) 9.16 0.50
assign ( resid 45 and name C ) ( resid 46 and name N )
( resid 46 and name CA ) ( resid 46 and name C ) 3.10 0.50
assign ( resid 47 and name C ) ( resid 48 and name N )
( resid 48 and name CA ) ( resid 48 and name C ) 9.41 0.50
assign ( resid 49 and name C ) ( resid 50 and name N )
( resid 50 and name CA ) ( resid 50 and name C ) 2.86 0.50
assign ( resid 50 and name C ) ( resid 51 and name N )
( resid 51 and name CA ) ( resid 51 and name C ) 6.30 0.50
assign ( resid 51 and name C ) ( resid 52 and name N )
( resid 52 and name CA ) ( resid 52 and name C ) 8.77 0.50
assign ( resid 52 and name C ) ( resid 53 and name N )
( resid 53 and name CA ) ( resid 53 and name C ) 10.03 0.50
assign ( resid 53 and name C ) ( resid 54 and name N )
( resid 54 and name CA ) ( resid 54 and name C ) 6.37 0.50
assign ( resid 55 and name C ) ( resid 56 and name N )
( resid 56 and name CA ) ( resid 56 and name C ) 7.25 0.50
assign ( resid 56 and name C ) ( resid 57 and name N )
( resid 57 and name CA ) ( resid 57 and name C ) 7.53 0.50
assign ( resid 57 and name C ) ( resid 58 and name N )
( resid 58 and name CA ) ( resid 58 and name C ) 7.38 0.50
assign ( resid 58 and name C ) ( resid 59 and name N )
( resid 59 and name CA ) ( resid 59 and name C ) 7.14 0.50
assign ( segid C0 and resid 22 and name ha1) ( segid C0 and resid 22 and name ca)
( segid C0 and resid 22 and name n ) ( segid C0 and resid 22 and name hn)
( segid C0 and resid 22 and name ha2) ( segid C0 and resid 22 and name ca)
( segid C0 and resid 22 and name n ) ( segid C0 and resid 22 and name hn)
7.450 0.5
4.750 0.5
assign ( segid C0 and resid 43 and name ha1) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
( segid C0 and resid 43 and name ha2) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
5.770 0.5
5.550 0.5
assign ( segid C0 and resid 46 and name ha1) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
( segid C0 and resid 46 and name ha2) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
3.100 0.5
4.000 0.5
ANI constraints
ATOM 1079 X ANI 500 71.888 -79.895 -16.823 1.00 0.00
ATOM 1080 Y ANI 500 71.168 -81.082 -16.866 1.00 0.00
ATOM 1081 Z ANI 500 71.172 -80.227 -17.942 1.00 0.00
ATOM 1082 OO ANI 500 70.922 -80.118 -16.980 1.00 0.00
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