NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type

5731 1hum cing 1-original 18 XPLOR/CNS dihedral angle
!!
restraints dihed reset
!phi restraints

!Prolines
assign (resid 1 and name c and segid A)  (resid 2 and name n and segid A)
       (resid 2 and name ca and segid A) (resid 2 and name c and segid
A) 1.0 -60.0 10.0 2

assign (resid 6 and name c and segid A)  (resid 7 and name n and segid A)
       (resid 7 and name ca and segid A) (resid 7 and name c and segid
A) 1.0 -60.0 10.0 2

assign (resid 20 and name c and segid A)  (resid 21 and name n and segid A)
       (resid 21 and name ca and segid A) (resid 21 and name c and
segid A) 1.0 -60.0 10.0 2

assign (resid 53 and name c and segid A)  (resid 54 and name n and segid A)
       (resid 54 and name ca and segid A) (resid 54 and name c and
segid A) 1.0 -60.0 10.0 2

assign (resid 2 and name c and segid A)  (resid 3 and name n and segid A)
       (resid 3 and name ca and segid A) (resid 3 and name c and segid
A) 1.0 -77.5 10.0 2

assign (resid 3 and name c and segid A)  (resid 4 and name n and segid A)
       (resid 4 and name ca and segid A) (resid 4 and name c and segid
A) 1.0 -50 10.0 2

assign (resid 4 and name c and segid A)  (resid 5 and name n and segid A)
       (resid 5 and name ca and segid A) (resid 5 and name c and segid
A) 1.0 -86.0 12.0 2

assign (resid 5 and name c and segid A)  (resid 6 and name n and segid A)
       (resid 6 and name ca and segid A) (resid 6 and name c and segid
A) 1.0 -160.0 15.0 2

assign (resid 9 and name c and segid A)  (resid 10 and name n and segid A)
       (resid 10 and name ca and segid A) (resid 10 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 10 and name c and segid A)  (resid 11 and name n and segid A)
       (resid 11 and name ca and segid A) (resid 11 and name c and
segid A) 1.0 -120.0 10.0 2

assign (resid 11 and name c and segid A)  (resid 12 and name n and segid A)
       (resid 12 and name ca and segid A) (resid 12 and name c and
segid A) 1.0 -100.0 40.0 2

assign (resid 12 and name c and segid A)  (resid 13 and name n and segid A)
       (resid 13 and name ca and segid A) (resid 13 and name c and
segid A) 1.0 -110.0 30.0 2

assign (resid 13 and name c and segid A)  (resid 14 and name n and segid A)
       (resid 14 and name ca and segid A) (resid 14 and name c and
segid A) 1.0 -155.0 15.0 2

assign (resid 14 and name c and segid A)  (resid 15 and name n and segid A)
       (resid 15 and name ca and segid A) (resid 15 and name c and
segid A) 1.0 -90.0 80.0 2

assign (resid 15 and name c and segid A)  (resid 16 and name n and segid A)
       (resid 16 and name ca and segid A) (resid 16 and name c and
segid A) 1.0 -55.0 10.0 2

assign (resid 16 and name c and segid A)  (resid 17 and name n and segid A)
       (resid 17 and name ca and segid A) (resid 17 and name c and
segid A) 1.0 -145.0 15.0 2

assign (resid 17 and name c and segid A)  (resid 18 and name n and segid A)
       (resid 18 and name ca and segid A) (resid 18 and name c and
segid A) 1.0 -120.0 30.0 2

assign (resid 18 and name c and segid A)  (resid 19 and name n and segid A)
       (resid 19 and name ca and segid A) (resid 19 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 19 and name c and segid A)  (resid 20 and name n and segid A)
       (resid 20 and name ca and segid A) (resid 20 and name c and
segid A) 1.0 -75.0 10.0 2

assign (resid 21 and name c and segid A)  (resid 22 and name n and segid A)
       (resid 22 and name ca and segid A) (resid 22 and name c and
segid A) 1.0 -37.5 17.5 2

assign (resid 22 and name c and segid A)  (resid 23 and name n and segid A)
       (resid 23 and name ca and segid A) (resid 23 and name c and
segid A) 1.0 -67.0 12.0 2

assign (resid 23 and name c and segid A)  (resid 24 and name n and segid A)
       (resid 24 and name ca and segid A) (resid 24 and name c and
segid A) 1.0 -127.5 17.5 2

assign (resid 24 and name c and segid A)  (resid 25 and name n and segid A)
       (resid 25 and name ca and segid A) (resid 25 and name c and
segid A) 1.0 -150.0 10.0 2

assign (resid 26 and name c and segid A)  (resid 27 and name n and segid A)
       (resid 27 and name ca and segid A) (resid 27 and name c and
segid A) 1.0 -160.0 10.0 2

assign (resid 27 and name c and segid A)  (resid 28 and name n and segid A)
       (resid 28 and name ca and segid A) (resid 28 and name c and
segid A) 1.0 -155.0 10.0 2

assign (resid 28 and name c and segid A)  (resid 29 and name n and segid A)
       (resid 29 and name ca and segid A) (resid 29 and name c and
segid A) 1.0 -152.5 12.5 2

assign (resid 29 and name c and segid A)  (resid 30 and name n and segid A)
       (resid 30 and name ca and segid A) (resid 30 and name c and
segid A) 1.0 -120.0 50.0 2

assign (resid 30 and name c and segid A)  (resid 31 and name n and segid A)
       (resid 31 and name ca and segid A) (resid 31 and name c and
segid A) 1.0 -70.0 15.0 2

assign (resid 33 and name c and segid A)  (resid 34 and name n and segid A)
       (resid 34 and name ca and segid A) (resid 34 and name c and
segid A) 1.0 -70.0 50.0 2

assign (resid 34 and name c and segid A)  (resid 35 and name n and segid A)
       (resid 35 and name ca and segid A) (resid 35 and name c and
segid A) 1.0 -65.0 15.0 2

assign (resid 35 and name c and segid A)  (resid 36 and name n and segid A)
       (resid 36 and name ca and segid A) (resid 36 and name c and
segid A) 1.0 -55.0 15.0 2

assign (resid 36 and name c and segid A)  (resid 37 and name n and segid A)
       (resid 37 and name ca and segid A) (resid 37 and name c and
segid A) 1.0 -147.5 15.0 2

assign (resid 39 and name c and segid A)  (resid 40 and name n and segid A)
       (resid 40 and name ca and segid A) (resid 40 and name c and
segid A) 1.0 -105.0 15.0 2

assign (resid 40 and name c and segid A)  (resid 41 and name n and segid A)
       (resid 41 and name ca and segid A) (resid 41 and name c and
segid A) 1.0 -102.5 17.5 2

assign (resid 41 and name c and segid A)  (resid 42 and name n and segid A)
       (resid 42 and name ca and segid A) (resid 42 and name c and
segid A) 1.0 -95.0 15.0 2

assign (resid 42 and name c and segid A)  (resid 43 and name n and segid A)
       (resid 43 and name ca and segid A) (resid 43 and name c and
segid A) 1.0 -102.5 17.5 2

assign (resid 43 and name c and segid A)  (resid 44 and name n and segid A)
       (resid 44 and name ca and segid A) (resid 44 and name c and
segid A) 1.0 -100.0 15.0 2

assign (resid 44 and name c and segid A)  (resid 45 and name n and segid A)
       (resid 45 and name ca and segid A) (resid 45 and name c and
segid A) 1.0 -90.0 55.0 2

assign (resid 45 and name c and segid A)  (resid 46 and name n and segid A)
       (resid 46 and name ca and segid A) (resid 46 and name c and
segid A) 1.0 -137.5 17.5 2

assign (resid 46 and name c and segid A)  (resid 47 and name n and segid A)
       (resid 47 and name ca and segid A) (resid 47 and name c and
segid A) 1.0 -170.0 10.0 2 

assign (resid 47 and name c and segid A)  (resid 48 and name n and segid A)
       (resid 48 and name ca and segid A) (resid 48 and name c and
segid A) 1.0 -125.0 50.0 2 

assign (resid 48 and name c and segid A)  (resid 49 and name n and segid A)
       (resid 49 and name ca and segid A) (resid 49 and name c and
segid A) 1.0 -135.0 15.0 2

assign (resid 49 and name c and segid A)  (resid 50 and name n and segid A)
       (resid 50 and name ca and segid A) (resid 50 and name c and
segid A) 1.0 -115.0 25.5 2

assign (resid 50 and name c and segid A)  (resid 51 and name n and segid A)
       (resid 51 and name ca and segid A) (resid 51 and name c and
segid A) 1.0 -120.0 45.0 2

assign (resid 51 and name c and segid A)  (resid 52 and name n and segid A)
       (resid 52 and name ca and segid A) (resid 52 and name c and
segid A) 1.0 -140.0 25.0 2

assign (resid 52 and name c and segid A)  (resid 53 and name n and segid A)
       (resid 53 and name ca and segid A) (resid 53 and name c and
segid A) 1.0 -67.5 7.5 2

assign (resid 54 and name c and segid A)  (resid 55 and name n and segid A)
       (resid 55 and name ca and segid A) (resid 55 and name c and
segid A) 1.0 -85.0 15.0 2

assign (resid 55 and name c and segid A)  (resid 56 and name n and segid A)
       (resid 56 and name ca and segid A) (resid 56 and name c and
segid A) 1.0 -85.0 15.0 2

assign (resid 56 and name c and segid A)  (resid 57 and name n and segid A)
       (resid 57 and name ca and segid A) (resid 57 and name c and
segid A) 1.0 -37.5 17.5 2

assign (resid 57 and name c and segid A)  (resid 58 and name n and segid A)
       (resid 58 and name ca and segid A) (resid 58 and name c and
segid A) 1.0 -55.0 10.0 2

assign (resid 58 and name c and segid A)  (resid 59 and name n and segid A)
       (resid 59 and name ca and segid A) (resid 59 and name c and
segid A) 1.0 -70.0 10.0 2

assign (resid 59 and name c and segid A)  (resid 60 and name n and segid A)
       (resid 60 and name ca and segid A) (resid 60 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 60 and name c and segid A)  (resid 61 and name n and segid A)
       (resid 61 and name ca and segid A) (resid 61 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 61 and name c and segid A)  (resid 62 and name n and segid A)
       (resid 62 and name ca and segid A) (resid 62 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 62 and name c and segid A)  (resid 63 and name n and segid A)
       (resid 63 and name ca and segid A) (resid 63 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 63 and name c and segid A)  (resid 64 and name n and segid A)
       (resid 64 and name ca and segid A) (resid 64 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 64 and name c and segid A)  (resid 65 and name n and segid A)
       (resid 65 and name ca and segid A) (resid 65 and name c and
segid A) 1.0 -65.0 10.0 2

assign (resid 65 and name c and segid A)  (resid 66 and name n and segid A)
       (resid 66 and name ca and segid A) (resid 66 and name c and
segid A) 1.0 -75.0 10.0 2

assign (resid 66 and name c and segid A)  (resid 67 and name n and segid A)
       (resid 67 and name ca and segid A) (resid 67 and name c and
segid A) 1.0 -75.0 10.0 2

assign (resid 67 and name c and segid A)  (resid 68 and name n and segid A)
       (resid 68 and name ca and segid A) (resid 68 and name c and
segid A) 1.0 -80.0 10.0 2

assign (resid 68 and name c and segid A)  (resid 69 and name n and segid A)
       (resid 69 and name ca and segid A) (resid 69 and name c and
segid A) 1.0 -97.5 17.5 2



!phi restraints

!Prolines
assign (resid 1 and name c and segid B)  (resid 2 and name n and segid B)
       (resid 2 and name ca and segid B) (resid 2 and name c and segid
B) 1.0 -60.0 10.0 2

assign (resid 6 and name c and segid B)  (resid 7 and name n and segid B)
       (resid 7 and name ca and segid B) (resid 7 and name c and segid
B) 1.0 -60.0 10.0 2

assign (resid 20 and name c and segid B)  (resid 21 and name n and segid B)
       (resid 21 and name ca and segid B) (resid 21 and name c and
segid B) 1.0 -60.0 10.0 2

assign (resid 53 and name c and segid B)  (resid 54 and name n and segid B)
       (resid 54 and name ca and segid B) (resid 54 and name c and
segid B) 1.0 -60.0 10.0 2

assign (resid 2 and name c and segid B)  (resid 3 and name n and segid B)
       (resid 3 and name ca and segid B) (resid 3 and name c and segid
B) 1.0 -77.5 10.0 2

assign (resid 3 and name c and segid B)  (resid 4 and name n and segid B)
       (resid 4 and name ca and segid B) (resid 4 and name c and segid
B) 1.0 -50 10.0 2

assign (resid 4 and name c and segid B)  (resid 5 and name n and segid B)
       (resid 5 and name ca and segid B) (resid 5 and name c and segid
B) 1.0 -86.0 12.0 2

assign (resid 5 and name c and segid B)  (resid 6 and name n and segid B)
       (resid 6 and name ca and segid B) (resid 6 and name c and segid
B) 1.0 -160.0 15.0 2

assign (resid 9 and name c and segid B)  (resid 10 and name n and segid B)
       (resid 10 and name ca and segid B) (resid 10 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 10 and name c and segid B)  (resid 11 and name n and segid B)
       (resid 11 and name ca and segid B) (resid 11 and name c and
segid B) 1.0 -120.0 10.0 2

assign (resid 11 and name c and segid B)  (resid 12 and name n and segid B)
       (resid 12 and name ca and segid B) (resid 12 and name c and
segid B) 1.0 -100.0 40.0 2

assign (resid 12 and name c and segid B)  (resid 13 and name n and segid B)
       (resid 13 and name ca and segid B) (resid 13 and name c and
segid B) 1.0 -110.0 20.0 2

assign (resid 13 and name c and segid B)  (resid 14 and name n and segid B)
       (resid 14 and name ca and segid B) (resid 14 and name c and
segid B) 1.0 -155.0 15.0 2

assign (resid 14 and name c and segid B)  (resid 15 and name n and segid B)
       (resid 15 and name ca and segid B) (resid 15 and name c and
segid B) 1.0 -90.0 80.0 2

assign (resid 15 and name c and segid B)  (resid 16 and name n and segid B)
       (resid 16 and name ca and segid B) (resid 16 and name c and
segid B) 1.0 -55.0 10.0 2

assign (resid 16 and name c and segid B)  (resid 17 and name n and segid B)
       (resid 17 and name ca and segid B) (resid 17 and name c and
segid B) 1.0 -145.0 15.0 2

assign (resid 17 and name c and segid B)  (resid 18 and name n and segid B)
       (resid 18 and name ca and segid B) (resid 18 and name c and
segid B) 1.0 -120.0 30.0 2

assign (resid 18 and name c and segid B)  (resid 19 and name n and segid B)
       (resid 19 and name ca and segid B) (resid 19 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 19 and name c and segid B)  (resid 20 and name n and segid B)
       (resid 20 and name ca and segid B) (resid 20 and name c and
segid B) 1.0 -75.0 10.0 2

assign (resid 21 and name c and segid B)  (resid 22 and name n and segid B)
       (resid 22 and name ca and segid B) (resid 22 and name c and
segid B) 1.0 -37.5 17.5 2

assign (resid 22 and name c and segid B)  (resid 23 and name n and segid B)
       (resid 23 and name ca and segid B) (resid 23 and name c and
segid B) 1.0 -67.0 12.0 2

assign (resid 23 and name c and segid B)  (resid 24 and name n and segid B)
       (resid 24 and name ca and segid B) (resid 24 and name c and
segid B) 1.0 -127.5 17.5 2

assign (resid 24 and name c and segid B)  (resid 25 and name n and segid B)
       (resid 25 and name ca and segid B) (resid 25 and name c and
segid B) 1.0 -150.0 10.0 2

assign (resid 26 and name c and segid B)  (resid 27 and name n and segid B)
       (resid 27 and name ca and segid B) (resid 27 and name c and
segid B) 1.0 -160.0 10.0 2

assign (resid 27 and name c and segid B)  (resid 28 and name n and segid B)
       (resid 28 and name ca and segid B) (resid 28 and name c and
segid B) 1.0 -155.0 10.0 2

assign (resid 28 and name c and segid B)  (resid 29 and name n and segid B)
       (resid 29 and name ca and segid B) (resid 29 and name c and
segid B) 1.0 -152.5 12.5 2

assign (resid 29 and name c and segid B)  (resid 30 and name n and segid B)
       (resid 30 and name ca and segid B) (resid 30 and name c and
segid B) 1.0 -120.0 50.0 2

assign (resid 30 and name c and segid B)  (resid 31 and name n and segid B)
       (resid 31 and name ca and segid B) (resid 31 and name c and
segid B) 1.0 -70.0 15.0 2

assign (resid 33 and name c and segid B)  (resid 34 and name n and segid B)
       (resid 34 and name ca and segid B) (resid 34 and name c and
segid B) 1.0 -70.0 50.0 2

assign (resid 34 and name c and segid B)  (resid 35 and name n and segid B)
       (resid 35 and name ca and segid B) (resid 35 and name c and
segid B) 1.0 -65.0 15.0 2

assign (resid 35 and name c and segid B)  (resid 36 and name n and segid B)
       (resid 36 and name ca and segid B) (resid 36 and name c and
segid B) 1.0 -55.0 15.0 2

assign (resid 36 and name c and segid B)  (resid 37 and name n and segid B)
       (resid 37 and name ca and segid B) (resid 37 and name c and
segid B) 1.0 -147.5 15.0 2

assign (resid 39 and name c and segid B)  (resid 40 and name n and segid B)
       (resid 40 and name ca and segid B) (resid 40 and name c and
segid B) 1.0 -105.0 15.0 2

assign (resid 40 and name c and segid B)  (resid 41 and name n and segid B)
       (resid 41 and name ca and segid B) (resid 41 and name c and
segid B) 1.0 -102.5 17.5 2

assign (resid 41 and name c and segid B)  (resid 42 and name n and segid B)
       (resid 42 and name ca and segid B) (resid 42 and name c and
segid B) 1.0 -95.0 15.0 2

assign (resid 42 and name c and segid B)  (resid 43 and name n and segid B)
       (resid 43 and name ca and segid B) (resid 43 and name c and
segid B) 1.0 -102.5 17.5 2

assign (resid 43 and name c and segid B)  (resid 44 and name n and segid B)
       (resid 44 and name ca and segid B) (resid 44 and name c and
segid B) 1.0 -100.0 15.0 2

assign (resid 44 and name c and segid B)  (resid 45 and name n and segid B)
       (resid 45 and name ca and segid B) (resid 45 and name c and
segid B) 1.0 -90.0 55.0 2

assign (resid 45 and name c and segid B)  (resid 46 and name n and segid B)
       (resid 46 and name ca and segid B) (resid 46 and name c and
segid B) 1.0 -137.5 17.5 2

assign (resid 46 and name c and segid B)  (resid 47 and name n and segid B)
       (resid 47 and name ca and segid B) (resid 47 and name c and
segid B) 1.0 -170.0 10.0 2 

assign (resid 47 and name c and segid B)  (resid 48 and name n and segid B)
       (resid 48 and name ca and segid B) (resid 48 and name c and
segid B) 1.0 -125.0 50.0 2 

assign (resid 48 and name c and segid B)  (resid 49 and name n and segid B)
       (resid 49 and name ca and segid B) (resid 49 and name c and
segid B) 1.0 -135.0 15.0 2

assign (resid 49 and name c and segid B)  (resid 50 and name n and segid B)
       (resid 50 and name ca and segid B) (resid 50 and name c and
segid B) 1.0 -115.0 27.5 2

assign (resid 50 and name c and segid B)  (resid 51 and name n and segid B)
       (resid 51 and name ca and segid B) (resid 51 and name c and
segid B) 1.0 -120.0 45.0 2

assign (resid 51 and name c and segid B)  (resid 52 and name n and segid B)
       (resid 52 and name ca and segid B) (resid 52 and name c and
segid B) 1.0 -140.0 25.0 2

assign (resid 52 and name c and segid B)  (resid 53 and name n and segid B)
       (resid 53 and name ca and segid B) (resid 53 and name c and
segid B) 1.0 -67.5 7.5 2

assign (resid 54 and name c and segid B)  (resid 55 and name n and segid B)
       (resid 55 and name ca and segid B) (resid 55 and name c and
segid B) 1.0 -85.0 15.0 2

assign (resid 55 and name c and segid B)  (resid 56 and name n and segid B)
       (resid 56 and name ca and segid B) (resid 56 and name c and
segid B) 1.0 -85.0 15.0 2

assign (resid 56 and name c and segid B)  (resid 57 and name n and segid B)
       (resid 57 and name ca and segid B) (resid 57 and name c and
segid B) 1.0 -37.5 17.5 2

assign (resid 57 and name c and segid B)  (resid 58 and name n and segid B)
       (resid 58 and name ca and segid B) (resid 58 and name c and
segid B) 1.0 -55.0 10.0 2

assign (resid 58 and name c and segid B)  (resid 59 and name n and segid B)
       (resid 59 and name ca and segid B) (resid 59 and name c and
segid B) 1.0 -70.0 10.0 2

assign (resid 59 and name c and segid B)  (resid 60 and name n and segid B)
       (resid 60 and name ca and segid B) (resid 60 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 60 and name c and segid B)  (resid 61 and name n and segid B)
       (resid 61 and name ca and segid B) (resid 61 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 61 and name c and segid B)  (resid 62 and name n and segid B)
       (resid 62 and name ca and segid B) (resid 62 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 62 and name c and segid B)  (resid 63 and name n and segid B)
       (resid 63 and name ca and segid B) (resid 63 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 63 and name c and segid B)  (resid 64 and name n and segid B)
       (resid 64 and name ca and segid B) (resid 64 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 64 and name c and segid B)  (resid 65 and name n and segid B)
       (resid 65 and name ca and segid B) (resid 65 and name c and
segid B) 1.0 -65.0 10.0 2

assign (resid 65 and name c and segid B)  (resid 66 and name n and segid B)
       (resid 66 and name ca and segid B) (resid 66 and name c and
segid B) 1.0 -75.0 10.0 2

assign (resid 66 and name c and segid B)  (resid 67 and name n and segid B)
       (resid 67 and name ca and segid B) (resid 67 and name c and
segid B) 1.0 -75.0 10.0 2

assign (resid 67 and name c and segid B)  (resid 68 and name n and segid B)
       (resid 68 and name ca and segid B) (resid 68 and name c and
segid B) 1.0 -80.0 10.0 2

assign (resid 68 and name c and segid B)  (resid 69 and name n and segid B)
       (resid 69 and name ca and segid B) (resid 69 and name c and
segid B) 1.0 -97.5 17.5 2





!chi2
!valines
assign (resid 25 and name n and segid a)  (resid 25 and name ca and segid a)
       (resid 25 and name cb and segid a) (resid 25 and name cg1 and
segid a) 1.0 180.0 20.0 2

assign (resid 40 and name n and segid a)  (resid 40 and name ca and segid a)
       (resid 40 and name cb and segid a) (resid 40 and name cg1 and
segid a) 1.0 180.0 20.0 2

assign (resid 41 and name n and segid a)  (resid 41 and name ca and segid a)
       (resid 41 and name cb and segid a) (resid 41 and name cg1 and
segid a) 1.0 180.0 20.0 2

assign (resid 50 and name n and segid a)  (resid 50 and name ca and segid a)
       (resid 50 and name cb and segid a) (resid 50 and name cg1 and
segid a) 1.0 180.0 20.0 2

assign (resid 59 and name n and segid a)  (resid 59 and name ca and segid a)
       (resid 59 and name cb and segid a) (resid 59 and name cg1 and
segid a) 1.0 180.0 20.0 2

assign (resid 63 and name n and segid a)  (resid 63 and name ca and segid a)
       (resid 63 and name cb and segid a) (resid 63 and name cg1 and
segid a) 1.0 180.0 20.0 2

!thr chi1
assign (resid 9 and name n and segid a)  (resid 9 and name ca and segid a)
       (resid 9 and name cb and segid a) (resid 9 and name og1 and
segid a) 1.0 -60.0 20.0 2

assign (resid 16 and name n and segid a)  (resid 16 and name ca and segid a)
       (resid 16 and name cb and segid a) (resid 16 and name og1 and
segid a) 1.0 180.0 20.0 2

assign (resid 31 and name n and segid a)  (resid 31 and name ca and segid a)
       (resid 31 and name cb and segid a) (resid 31 and name og1 and
segid a) 1.0 60.0 20.0 2

assign (resid 44 and name n and segid a)  (resid 44 and name ca and segid a)
       (resid 44 and name cb and segid a) (resid 44 and name og1 and
segid a) 1.0 60.0 20.0 2

assign (resid 9 and name n and segid b)  (resid 9 and name ca and segid b)
       (resid 9 and name cb and segid b) (resid 9 and name og1 and
segid b) 1.0 -60.0 20.0 2

assign (resid 16 and name n and segid b)  (resid 16 and name ca and segid b)
       (resid 16 and name cb and segid b) (resid 16 and name og1 and
segid b) 1.0 180.0 20.0 2

assign (resid 31 and name n and segid b)  (resid 31 and name ca and segid b)
       (resid 31 and name cb and segid b) (resid 31 and name og1 and
segid b) 1.0 60.0 20.0 2

assign (resid 44 and name n and segid b)  (resid 44 and name ca and segid b)
       (resid 44 and name cb and segid b) (resid 44 and name og1 and
segid b) 1.0 60.0 20.0 2


!aromatic chi2

assign (resid 13 and name ca and segid a) (resid 13 and name cb and segid a)
       (resid 13 and name cg and segid a) (resid 13 and name cd1 and
segid a) 1.0 90.0 30.0 2

assign (resid 15 and name ca and segid a) (resid 15 and name cb and segid a)
       (resid 15 and name cg and segid a) (resid 15 and name cd1 and
segid a) 1.0 90.0 30.0 2

assign (resid 24 and name ca and segid a) (resid 24 and name cb and segid a)
       (resid 24 and name cg and segid a) (resid 24 and name cd1 and
segid a) 1.0 90.0 30.0 2

assign (resid 28 and name ca and segid a) (resid 28 and name cb and segid a)
       (resid 28 and name cg and segid a) (resid 28 and name cd1 and
segid a) 1.0 90.0 30.0 2

assign (resid 29 and name ca and segid a) (resid 29 and name cb and segid a)
       (resid 29 and name cg and segid a) (resid 29 and name cd1 and
segid a) 1.0 75.0 30.0 2

assign (resid 42 and name ca and segid a) (resid 42 and name cb and segid a)
       (resid 42 and name cg and segid a) (resid 42 and name cd1 and
segid a) 1.0 90.0 30.0 2

assign (resid 58 and name ca and segid a) (resid 58 and name cb and segid a)
       (resid 58 and name cg and segid a) (resid 58 and name cd1 and
segid a) 1.0 -90.0 30.0 2

assign (resid 62 and name ca and segid a) (resid 62 and name cb and segid a)
       (resid 62 and name cg and segid a) (resid 62 and name cd1 and
segid a) 1.0 90.0 40.0 2

assign (resid 64 and name ca and segid a) (resid 64 and name cb and segid a)
       (resid 64 and name cg and segid a) (resid 64 and name cd1 and
segid a) 1.0 90.0 30.0 2

assign (resid 13 and name ca and segid b) (resid 13 and name cb and segid b)
       (resid 13 and name cg and segid b) (resid 13 and name cd1 and
segid b) 1.0 90.0 30.0 2

assign (resid 15 and name ca and segid b) (resid 15 and name cb and segid b)
       (resid 15 and name cg and segid b) (resid 15 and name cd1 and
segid b) 1.0 90.0 30.0 2

assign (resid 24 and name ca and segid b) (resid 24 and name cb and segid b)
       (resid 24 and name cg and segid b) (resid 24 and name cd1 and
segid b) 1.0 90.0 30.0 2

assign (resid 28 and name ca and segid b) (resid 28 and name cb and segid b)
       (resid 28 and name cg and segid b) (resid 28 and name cd1 and
segid b) 1.0 90.0 30.0 2

assign (resid 29 and name ca and segid b) (resid 29 and name cb and segid b)
       (resid 29 and name cg and segid b) (resid 29 and name cd1 and
segid b) 1.0 75.0 30.0 2

assign (resid 42 and name ca and segid b) (resid 42 and name cb and segid b)
       (resid 42 and name cg and segid b) (resid 42 and name cd1 and
segid b) 1.0 90.0 30.0 2

assign (resid 58 and name ca and segid b) (resid 58 and name cb and segid b)
       (resid 58 and name cg and segid b) (resid 58 and name cd1 and
segid b) 1.0 -90.0 30.0 2

assign (resid 62 and name ca and segid b) (resid 62 and name cb and segid b)
       (resid 62 and name cg and segid b) (resid 62 and name cd1 and
segid b) 1.0 90.0 40.0 2

assign (resid 64 and name ca and segid b) (resid 64 and name cb and segid b)
       (resid 64 and name cg and segid b) (resid 64 and name cd1 and
segid b) 1.0 90.0 30.0 2

!chi1
!valines
assign (resid 25 and name n and segid b)  (resid 25 and name ca and segid b)
       (resid 25 and name cb and segid b) (resid 25 and name cg1 and
segid b) 1.0 180.0 20.0 2

assign (resid 40 and name n and segid b)  (resid 40 and name ca and segid b)
       (resid 40 and name cb and segid b) (resid 40 and name cg1 and
segid b) 1.0 180.0 20.0 2

assign (resid 41 and name n and segid b)  (resid 41 and name ca and segid b)
       (resid 41 and name cb and segid b) (resid 41 and name cg1 and
segid b) 1.0 180.0 20.0 2

assign (resid 50 and name n and segid b)  (resid 50 and name ca and segid b)
       (resid 50 and name cb and segid b) (resid 50 and name cg1 and
segid b) 1.0 180.0 20.0 2

assign (resid 59 and name n and segid b)  (resid 59 and name ca and segid b)
       (resid 59 and name cb and segid b) (resid 59 and name cg1 and
segid b) 1.0 180.0 20.0 2

assign (resid 63 and name n and segid b)  (resid 63 and name ca and segid b)
       (resid 63 and name cb and segid b) (resid 63 and name cg1 and
segid b) 1.0 180.0 20.0 2


!Chi1
!aromatics
assign (resid 13 and name n and segid a)  (resid 13 and name ca and segid a)
       (resid 13 and name cb and segid a) (resid 13 and name cg and
segid a) 1.0 60.0 20.0 2

assign (resid 15 and name n and segid a)  (resid 15 and name ca and segid a)
       (resid 15 and name cb and segid a) (resid 15 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 24 and name n and segid a)  (resid 24 and name ca and segid a)
       (resid 24 and name cb and segid a) (resid 24 and name cg and
segid a) 1.0 180.0 20.0 2

assign (resid 28 and name n and segid a)  (resid 28 and name ca and segid a)
       (resid 28 and name cb and segid a) (resid 28 and name cg and
segid a) 1.0 60.0 20.0 2

assign (resid 29 and name n and segid a)  (resid 29 and name ca and segid a)
       (resid 29 and name cb and segid a) (resid 29 and name cg and
segid a) 1.0 180.0 20.0 2

assign (resid 42 and name n and segid a)  (resid 42 and name ca and segid a)
       (resid 42 and name cb and segid a) (resid 42 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 58 and name n and segid a)  (resid 58 and name ca and segid a)
       (resid 58 and name cb and segid a) (resid 58 and name cg and
segid a) 1.0 60.0 20.0 2

assign (resid 62 and name n and segid a)  (resid 62 and name ca and segid a)
       (resid 62 and name cb and segid a) (resid 62 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 64 and name n and segid a)  (resid 64 and name ca and segid a)
       (resid 64 and name cb and segid a) (resid 64 and name cg and
segid a) 1.0 180.0 20.0 2


assign (resid 13 and name n and segid b)  (resid 13 and name ca and segid b)
       (resid 13 and name cb and segid b) (resid 13 and name cg and
segid b) 1.0 60.0 20.0 2

assign (resid 15 and name n and segid b)  (resid 15 and name ca and segid b)
       (resid 15 and name cb and segid b) (resid 15 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 24 and name n and segid b)  (resid 24 and name ca and segid b)
       (resid 24 and name cb and segid b) (resid 24 and name cg and
segid b) 1.0 180.0 20.0 2

assign (resid 28 and name n and segid b)  (resid 28 and name ca and segid b)
       (resid 28 and name cb and segid b) (resid 28 and name cg and
segid b) 1.0 60.0 20.0 2

assign (resid 29 and name n and segid b)  (resid 29 and name ca and segid b)
       (resid 29 and name cb and segid b) (resid 29 and name cg and
segid b) 1.0 180.0 20.0 2

assign (resid 42 and name n and segid b)  (resid 42 and name ca and segid b)
       (resid 42 and name cb and segid b) (resid 42 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 58 and name n and segid b)  (resid 58 and name ca and segid b)
       (resid 58 and name cb and segid b) (resid 58 and name cg and
segid b) 1.0 60.0 20.0 2

assign (resid 62 and name n and segid b)  (resid 62 and name ca and segid b)
       (resid 62 and name cb and segid b) (resid 62 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 64 and name n and segid b)  (resid 64 and name ca and segid b)
       (resid 64 and name cb and segid b) (resid 64 and name cg and
segid b) 1.0 180.0 20.0 2


!Chi1 Ser

assign (resid 14 and name n and segid a)  (resid 14 and name ca and segid a)
       (resid 14 and name cb and segid a) (resid 14 and name og and
segid a) 1.0 60.0 20.0 2

assign (resid 33 and name n and segid a)  (resid 33 and name ca and segid a)
       (resid 33 and name cb and segid a) (resid 33 and name og and
segid a) 1.0 60.0 20.0 2

assign (resid 14 and name n and segid b)  (resid 14 and name ca and segid b)
       (resid 14 and name cb and segid b) (resid 14 and name og and
segid b) 1.0 60.0 20.0 2

assign (resid 33 and name n and segid b)  (resid 33 and name ca and segid b)
       (resid 33 and name cb and segid b) (resid 33 and name og and
segid b) 1.0 60.0 20.0 2

!Chi1 other
assign (resid 18 and name n and segid a)  (resid 18 and name ca and segid a)
       (resid 18 and name cb and segid a) (resid 18 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 19 and name n and segid a)  (resid 19 and name ca and segid a)
       (resid 19 and name cb and segid a) (resid 19 and name cg and
segid a) 1.0 180.0 20.0 2

assign (resid 27 and name n and segid a)  (resid 27 and name ca and segid a)
       (resid 27 and name cb and segid a) (resid 27 and name cg and
segid a) 1.0 180.0 20.0 2

assign (resid 30 and name n and segid a)  (resid 30 and name ca and segid a)
       (resid 30 and name cb and segid a) (resid 30 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 43 and name n and segid a)  (resid 43 and name ca and segid a)
       (resid 43 and name cb and segid a) (resid 43 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 45 and name n and segid a)  (resid 45 and name ca and segid a)
       (resid 45 and name cb and segid a) (resid 45 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 46 and name n and segid a)  (resid 46 and name ca and segid a)
       (resid 46 and name cb and segid a) (resid 46 and name cg and
segid a) 1.0 180.0 20.0 2

assign (resid 56 and name n and segid a)  (resid 56 and name ca and segid a)
       (resid 56 and name cb and segid a) (resid 56 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 61 and name n and segid a)  (resid 61 and name ca and segid a)
       (resid 61 and name cb and segid a) (resid 61 and name cg and
segid a) 1.0 180.0 20.0 2

assign (resid 65 and name n and segid a)  (resid 65 and name ca and segid a)
       (resid 65 and name cb and segid a) (resid 65 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 66 and name n and segid a)  (resid 66 and name ca and segid a)
       (resid 66 and name cb and segid a) (resid 66 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 67 and name n and segid a)  (resid 67 and name ca and segid a)
       (resid 67 and name cb and segid a) (resid 67 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 18 and name n and segid b)  (resid 18 and name ca and segid b)
       (resid 18 and name cb and segid b) (resid 18 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 19 and name n and segid b)  (resid 19 and name ca and segid b)
       (resid 19 and name cb and segid b) (resid 19 and name cg and
segid b) 1.0 180.0 20.0 2

assign (resid 27 and name n and segid b)  (resid 27 and name ca and segid b)
       (resid 27 and name cb and segid b) (resid 27 and name cg and
segid b) 1.0 180.0 20.0 2

assign (resid 30 and name n and segid b)  (resid 30 and name ca and segid b)
       (resid 30 and name cb and segid b) (resid 30 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 43 and name n and segid b)  (resid 43 and name ca and segid b)
       (resid 43 and name cb and segid b) (resid 43 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 45 and name n and segid b)  (resid 45 and name ca and segid b)
       (resid 45 and name cb and segid b) (resid 45 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 46 and name n and segid b)  (resid 46 and name ca and segid b)
       (resid 46 and name cb and segid b) (resid 46 and name cg and
segid b) 1.0 180.0 20.0 2

assign (resid 56 and name n and segid b)  (resid 56 and name ca and segid b)
       (resid 56 and name cb and segid b) (resid 56 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 61 and name n and segid b)  (resid 61 and name ca and segid b)
       (resid 61 and name cb and segid b) (resid 61 and name cg and
segid b) 1.0 180.0 20.0 2

assign (resid 65 and name n and segid a)  (resid 65 and name ca and segid a)
       (resid 65 and name cb and segid a) (resid 65 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 66 and name n and segid b)  (resid 66 and name ca and segid b)
       (resid 66 and name cb and segid b) (resid 66 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 67 and name n and segid b)  (resid 67 and name ca and segid b)
       (resid 67 and name cb and segid b) (resid 67 and name cg and
segid b) 1.0 -60.0 20.0 2

!Chi1 leucines

assign (resid 20 and name n and segid a)  (resid 20 and name ca and segid a)
       (resid 20 and name cb and segid a) (resid 20 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 34 and name n and segid a)  (resid 34 and name ca and segid a)
       (resid 34 and name cb and segid a) (resid 34 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 66 and name n and segid a)  (resid 66 and name ca and segid a)
       (resid 66 and name cb and segid a) (resid 66 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 68 and name n and segid a)  (resid 68 and name ca and segid a)
       (resid 68 and name cb and segid a) (resid 68 and name cg and
segid a) 1.0 -60.0 20.0 2

assign (resid 20 and name n and segid b)  (resid 20 and name ca and segid b)
       (resid 20 and name cb and segid b) (resid 20 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 34 and name n and segid b)  (resid 34 and name ca and segid b)
       (resid 34 and name cb and segid b) (resid 34 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 66 and name n and segid b)  (resid 66 and name ca and segid b)
       (resid 66 and name cb and segid b) (resid 66 and name cg and
segid b) 1.0 -60.0 20.0 2

assign (resid 68 and name n and segid b)  (resid 68 and name ca and segid b)
       (resid 68 and name cb and segid b) (resid 68 and name cg and
segid b) 1.0 -60.0 20.0 2

!chi2 leucines
assign (resid 20 and name ca and segid a) (resid 20 and name cb and segid a)
       (resid 20 and name cg and segid a) (resid 20 and name cd1 and
segid a) 1.0 180.0 20.0 2

assign (resid 34 and name ca and segid a) (resid 34 and name cb and segid a)
       (resid 34 and name cg and segid a) (resid 34 and name cd1 and
segid a) 1.0 180.0 20.0 2

assign (resid 66 and name ca and segid a) (resid 66 and name cb and segid a)
       (resid 66 and name cg and segid a) (resid 66 and name cd1 and
segid a) 1.0 180.0 20.0 2

assign (resid 68 and name ca and segid a) (resid 68 and name cb and segid a)
       (resid 68 and name cg and segid a) (resid 68 and name cd1 and
segid a) 1.0 180.0 20.0 2

assign (resid 20 and name ca and segid b) (resid 20 and name cb and segid b)
       (resid 20 and name cg and segid b) (resid 20 and name cd1 and
segid b) 1.0 180.0 20.0 2

assign (resid 34 and name ca and segid b) (resid 34 and name cb and segid b)
       (resid 34 and name cg and segid b) (resid 34 and name cd1 and
segid b) 1.0 180.0 20.0 2

assign (resid 66 and name ca and segid b) (resid 66 and name cb and segid b)
       (resid 66 and name cg and segid b) (resid 66 and name cd1 and
segid b) 1.0 180.0 20.0 2

assign (resid 68 and name ca and segid b) (resid 68 and name cb and segid b)
       (resid 68 and name cg and segid b) (resid 68 and name cd1 and
segid b) 1.0 180.0 20.0 2


!chi1 of cysteines

assign (resid 11 and name n and segid a) (resid 11 and name ca and segid a)
       (resid 11 and name cb and segid a) (resid 11 and name sg and
segid a) 1.0 -60.0 20.0 2


assign (resid 12 and name n and segid a) (resid 12 and name ca and segid a)
       (resid 12 and name cb and segid a) (resid 12 and name sg and
segid a) 1.0 -60.0 20.0 2


assign (resid 35 and name n and segid a) (resid 35 and name ca and segid a)
       (resid 35 and name cb and segid a) (resid 35 and name sg and
segid a) 1.0 60.0 20.0 2

assign (resid 51 and name n and segid a) (resid 51 and name ca and segid a)
       (resid 51 and name cb and segid a) (resid 51 and name sg and
segid a) 1.0 -60.0 20.0 2

assign (resid 11 and name n and segid b) (resid 11 and name ca and segid b)
       (resid 11 and name cb and segid b) (resid 11 and name sg and
segid b) 1.0 -60.0 20.0 2


assign (resid 12 and name n and segid b) (resid 12 and name ca and segid b)
       (resid 12 and name cb and segid b) (resid 12 and name sg and
segid b) 1.0 -60.0 20.0 2


assign (resid 35 and name n and segid b) (resid 35 and name ca and segid b)
       (resid 35 and name cb and segid b) (resid 35 and name sg and
segid b) 1.0 60.0 20.0 2

assign (resid 51 and name n and segid b) (resid 51 and name ca and segid b)
       (resid 51 and name cb and segid b) (resid 51 and name sg and
segid b) 1.0 -60.0 20.0 2


!disulfide bridges
assign (resid 12 and name ca and segid a) (resid 12 and name cb and segid a)
       (resid 12 and name sg and segid a) (resid 51 and name sg and
segid a) 1.0 -90 40.0 2

assign (resid 12 and name cb and segid a) (resid 12 and name sg and segid a)
       (resid 51 and name sg and segid a) (resid 51 and name cb and
segid a) 1.0 -90 30.0 2

assign (resid 12 and name sg and segid a) (resid 51 and name sg and segid a)
       (resid 51 and name cb and segid a) (resid 51 and name ca and
segid a) 1.0 -90 40.0 2


assign (resid 12 and name ca and segid b) (resid 12 and name cb and segid b)
       (resid 12 and name sg and segid b) (resid 51 and name sg and
segid b) 1.0 -90 40.0 2

assign (resid 12 and name cb and segid b) (resid 12 and name sg and segid b)
       (resid 51 and name sg and segid b) (resid 51 and name cb and
segid b) 1.0 -90 30.0 2

assign (resid 12 and name sg and segid b) (resid 51 and name sg and segid b)
       (resid 51 and name cb and segid b) (resid 51 and name ca and
segid b) 1.0 -90 40.0 2



assign (resid 11 and name ca and segid a) (resid 11 and name cb and segid a)
       (resid 11 and name sg and segid a) (resid 35 and name sg and
segid a) 1.0 -100 30.0 2

assign (resid 11 and name cb and segid a) (resid 11 and name sg and segid a)
       (resid 35 and name sg and segid a) (resid 35 and name cb and
segid a) 1.0 -90 30.0 2

assign (resid 11 and name sg and segid a) (resid 35 and name sg and segid a)
       (resid 35 and name cb and segid a) (resid 35 and name ca and
segid a) 1.0 -140 40.0 2


assign (resid 11 and name ca and segid b) (resid 11 and name cb and segid b)
       (resid 11 and name sg and segid b) (resid 35 and name sg and
segid b) 1.0 -100 30.0 2

assign (resid 11 and name cb and segid b) (resid 11 and name sg and segid b)
       (resid 35 and name sg and segid b) (resid 35 and name cb and
segid b) 1.0 -90 30.0 2

assign (resid 11 and name sg and segid b) (resid 35 and name sg and segid b)
       (resid 35 and name cb and segid b) (resid 35 and name ca and
segid b) 1.0 -140 40.0 2


!some psi restraints
assign (resid 2 and name n and segid a) (resid 2 and name ca and segid a)
       (resid 2 and name c and segid a)  (resid 3 and name n and segid
a) 1.0 150.0 50.0 2

assign (resid 3 and name n and segid a) (resid 3 and name ca and segid a)
       (resid 3 and name c and segid a)  (resid 4 and name n and segid
a) 1.0 160.0 50.0 2

assign (resid 4 and name n and segid a) (resid 4 and name ca and segid a)
       (resid 4 and name c and segid a)  (resid 5 and name n and segid
a) 1.0 180.0 50.0 2

assign (resid 5 and name n and segid a) (resid 5 and name ca and segid a)
       (resid 5 and name c and segid a)  (resid 6 and name n and segid
a) 1.0 -90.0 50.0 2

assign (resid 68 and name n and segid a) (resid 68 and name ca and segid a)
       (resid 68 and name c and segid a)  (resid 69 and name n and
segid a) 1.0 -90.0 30.0 2


assign (resid 2 and name n and segid a) (resid 2 and name ca and segid a)
       (resid 2 and name c and segid a)  (resid 3 and name n and segid
a) 1.0 150.0 50.0 2

assign (resid 3 and name n and segid b) (resid 3 and name ca and segid b)
       (resid 3 and name c and segid b)  (resid 4 and name n and segid
b) 1.0 160.0 50.0 2

assign (resid 4 and name n and segid b) (resid 4 and name ca and segid b)
       (resid 4 and name c and segid b)  (resid 5 and name n and segid
b) 1.0 180.0 50.0 2

assign (resid 5 and name n and segid b) (resid 5 and name ca and segid b)
       (resid 5 and name c and segid b)  (resid 6 and name n and segid
b) 1.0 -90.0 50.0 2

assign (resid 68 and name n and segid b) (resid 68 and name ca and segid b)
       (resid 68 and name c and segid b)  (resid 69 and name n and
segid b) 1.0 -90.0 30.0 2
Please acknowledge these references in publications where the data from this site have been utilized.
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	5731	1hum	cing	1-original	18	XPLOR/CNS	dihedral angle