NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

28724 6gat cing 1-original 18 XPLOR/CNS dihedral angle
!!!psi
!! T17
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1.0 110.0 20.0 2
!! Q18
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1.0 -5.0 20.0 2
!! L40
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1.0 -70.0 25.0 2
!! L42
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1.0 -30.0 20.0 2
!! H43
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 -20.0 25.0 2
!! G44
assign (resid 44 and name n) (resid 44 and name ca)
       (resid 44 and name c) (resid 45 and name n) 1.0 10.0 20.0 2
!! R47
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name c) (resid 48 and name n) 1.0 140.0 20.0 2
!! I56
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1.0 135.0 20.0 2
!! K57
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 130.0 20.0 2
!! K58
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n) 1.0 130.0 20.0 2
!! R59
assign (resid 59 and name n) (resid 59 and name ca)
       (resid 59 and name c) (resid 60 and name n) 1.0 175.0 20.0 2
!! N60
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 180.0 30.0 2
!! R61
assign (resid 61 and name n) (resid 61 and name ca)
       (resid 61 and name c) (resid 62 and name n) 1.0 145.0 40.0 2

!!!phi
!! T10
assign (resid 9 and name c) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c) 1.0 -60.0 20.0 2
!! T11
assign (resid 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 1.0 -140.0 20.0 2
!! C12
assign (resid 11 and name c) (resid 12 and name n)
      (resid 12 and name ca) (resid 12 and name c) 1.0 -70.0 20.0 2
!! T13
assign (resid 12 and name c) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1.0 -60.0 20.0 2
!! N14
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1.0 -100.0 20.0 2
!! C15
assign (resid 14 and name c) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 1.0 -140.0 20.0 2
!! F16
assign (resid 15 and name c) (resid 16 and name n)
        (resid 16 and name ca) (resid 16 and name c) 1.0 60.0 20.0 2
!! T17
assign (resid 16 and name c) (resid 17 and name n)
        (resid 17 and name ca) (resid 17 and name c) 1.0 -40.0 20.0 2
!! Q18
assign (resid 17 and name c) (resid 18 and name n)
        (resid 18 and name ca) (resid 18 and name c) 1.0 -90.0 20.0 2
!! T19
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -120.0 20.0 2
!! T20
assign (resid 19 and name c) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -160.0 40.0 2
!! P21
assign (resid 20 and name c) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 1.0 -60.0 40.0 2
!! V22
assign (resid 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c) 1.0 -160.0 20.0 2
!! W23
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -90.0 20.0 2
!! R24
assign (resid 23 and name c) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -100.0 20.0 2
!! R25
assign (resid 24 and name c) (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 1.0 -140.0 20.0 2
!! N26
assign (resid 25 and name c) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 1.0 -140.0 20.0 2
!! P27
assign (resid 26 and name c) (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 1.0 -50.0 20.0 2
!! E28
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -100.0 20.0 2
!! G29
!! Q30
assign (resid 29 and name c) (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1.0 -90.0 20.0 2
!! P31
assign (resid 30 and name c) (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c) 1.0 -80.0 20.0 2
!! L32
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -130.0 20.0 2
!! C33
assign (resid 32 and name c) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 1.0 -70.0 20.0 2
!! N34
assign (resid 33 and name c) (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c) 1.0 -60.0 20.0 2
!! A35
assign (resid 34 and name c) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 1.0 -60.0 20.0 2
!! C36
assign (resid 35 and name c) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -60.0 20.0 2
!! G37
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 -60.0 20.0 2
!! L38
assign (resid 37 and name c) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1.0 -60.0 20.0 2
!! F39
assign (resid 38 and name c) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1.0 -60.0 20.0 2
!! L40
assign (resid 39 and name c) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1.0 -60.0 20.0 2
!! K41
assign (resid 40 and name c) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1.0 -60.0 20.0 2
!! L42
assign (resid 41 and name c) (resid 42 and name n)
      (resid 42 and name ca) (resid 42  and name c) 1.0 -60.0 20.0 2
!! H43
assign (resid 42 and name c) (resid 43 and name n)
       (resid 43 and name ca) (resid 43  and name c) 1.0 -90.0 20.0 2
! G44
assign (resid 43 and name c) (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 1.0 70.0 20.0 2
!! V45
assign (resid 44 and name c) (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0 -140.0 20.0 2
!! V46
assign (resid 45 and name c) (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 1.0 -70.0 20.0 2
!! R47
assign (resid 46 and name c) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 1.0 -140.0 20.0 2
!! P48
assign (resid 47 and name c) (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -60.0 40.0 2
!! L49
assign (resid 48 and name c) (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c) 1.0 -60.0 20.0 2
!! S50
assign (resid 49 and name c) (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 1.0 -60.0 20.0 2
!! L51
assign (resid 50 and name c) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -70.0 20.0 2
!! K52
assign (resid 51 and name c) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1.0 -50.0 20.0 2
!! T53
assign (resid 52 and name c) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 1.0 -140.0 20.0 2
!! D54
assign (resid 53 and name c) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1.0 -90.0 20.0 2
!! V55
assign (resid 54 and name c) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1.0 -120.0 20.0 2
!! I56
assign (resid 55 and name c) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -120.0 20.0 2
!! K57
assign (resid 56 and name c) (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -80.0 20.0 2
!! K58
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -85.0 20.0 2
!! R59
assign (resid 58 and name c) (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c) 1.0 -100.0 20.0 2
!! N60
assign (resid 59 and name c) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -75.0 40.0 2
!! R61
assign (resid 60 and name c) (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1.0 -150.0 40.0 2
!! N62
assign (resid 61 and name c) (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c) 1.0 -90.0 88.0 2
!! S63
assign (resid 62 and name c) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -90.0 88.0 2
!! T10
assign (resid 10 and name n)   (resid 10 and name ca)
      (resid 10 and name cb)  (resid 10 and name og1) 1.0 -60.0 20.0 2
!! T11
assign (resid 11 and name n)   (resid 11 and name ca)
       (resid 11 and name cb)  (resid 11 and name og1) 1.0 -60.0 20.0 2
!! T13
assign (resid 13 and name n)   (resid 13 and name ca)
       (resid 13 and name cb)  (resid 13 and name og1) 1.0 60.0 20.0 2
!! N14
assign (resid 14 and name n)   (resid 14 and name ca)
       (resid 14 and name cb)  (resid 14 and name cg) 1.0 -60.0 20.0 2
!! T17
assign (resid 17 and name n)   (resid 17 and name ca)
       (resid 17 and name cb)  (resid 17 and name og1) 1.0 0.0 90.0 2
!! T19
assign (resid 19 and name n)   (resid 19 and name ca)
       (resid 19 and name cb)  (resid 19 and name og1) 1.0 -60.0 20.0 2
!! T20
assign (resid 20 and name n)   (resid 20 and name ca)
       (resid 20 and name cb)  (resid 20 and name og1) 1.0 180.0 20.0 2
!! V22
assign (resid 22 and name n)   (resid 22 and name ca)
       (resid 22 and name cb)  (resid 22 and name cg1) 1.0 60.0 20.0 2
!! R24 
assign (resid 24 and name n)   (resid 24 and name ca)
       (resid 24 and name cb)  (resid 24 and name cg) 1.0 -60.0 20.0 2
!! R25
assign (resid 25 and name n)   (resid 25 and name ca)
       (resid 25 and name cb)  (resid 25 and name cg) 1.0 0.0 90.0 2
!! N26 
assign (resid 26 and name n)   (resid 26 and name ca)
       (resid 26 and name cb)  (resid 26 and name cg) 1.0 180.0 20.0 2
!! E28
assign (resid 28 and name n)   (resid 28 and name ca)
       (resid 28 and name cb)  (resid 28 and name cg) 1.0 0.0 90.0 2
!! Q30
assign (resid 30 and name n)   (resid 30 and name ca)
       (resid 30 and name cb)  (resid 30 and name cg) 1.0 0.0 90.0 2
!! L32
assign (resid 32 and name n)   (resid 32 and name ca)
       (resid 32 and name cb)  (resid 32 and name cg) 1.0 -60.0 20.0 2
!! N34
assign (resid 34 and name n)   (resid 34 and name ca)
       (resid 34 and name cb)  (resid 34 and name cg) 1.0 0.0 90.0 2
!! L38
assign (resid 38 and name n)   (resid 38 and name ca)
       (resid 38 and name cb)  (resid 38 and name cg) 1.0 -60.0 20.0 2
!! L40
assign (resid 40 and name n)   (resid 40 and name ca)
       (resid 40 and name cb)  (resid 40 and name cg) 1.0 180.0 20.0 2
!! K41
assign (resid 41 and name n)   (resid 41 and name ca)
       (resid 41 and name cb)  (resid 41 and name cg) 1.0 180.0 20.0 2
!! F39
assign (resid 39 and name n)   (resid 39 and name ca)
       (resid 39 and name cb)  (resid 39 and name cg) 1.0 180.0 20.0 2
!! L42
assign (resid 42 and name n)   (resid 42 and name ca)
       (resid 42 and name cb)  (resid 42 and name cg) 1.0 -60.0 20.0 2
!! H43
assign (resid 43 and name n)   (resid 43 and name ca)
       (resid 43 and name cb)  (resid 43 and name cg) 1.0 -60.0 20.0 2
!! V45
assign (resid 45 and name n)   (resid 45 and name ca)
       (resid 45 and name cb)  (resid 45 and name cg1) 1.0 -60.0 20.0 2
!! V46
assign (resid 46 and name n)   (resid 46 and name ca)
       (resid 46 and name cb)  (resid 46 and name cg1) 1.0 -60.0 20.0 2
!! R47
assign (resid 47 and name n)   (resid 47 and name ca) 
       (resid 47 and name cb)  (resid 47 and name cg) 1.0 180.0 20.0 2
!! L49
assign (resid 49 and name n)   (resid 49 and name ca)
       (resid 49 and name cb)  (resid 49 and name cg) 1.0 -60.0 20.0 2
!! L51
assign (resid 51 and name n)   (resid 51 and name ca)
       (resid 51 and name cb)  (resid 51 and name cg) 1.0 -60.0 20.0 2
!!K52
assign (resid 52 and name n)   (resid 52 and name ca) 
       (resid 52 and name cb)  (resid 52 and name cg) 1.0 180.0 20.0 2
!! T53
assign (resid 53 and name n)   (resid 53 and name ca)
       (resid 53 and name cb)  (resid 53 and name og1) 1.0 180.0 20.0 2
!! D54
assign (resid 54 and name n)   (resid 54 and name ca)
       (resid 54 and name cb)  (resid 54 and name cg) 1.0 -60.0 20.0 2
!! I56
assign (resid 56 and name n)   (resid 56 and name ca)
       (resid 56 and name cb)  (resid 56 and name cg1) 1.0 -60.0 20.0 2
!!K57
assign (resid 57 and name n)   (resid 57 and name ca) 
       (resid 57 and name cb)  (resid 57 and name cg) 1.0 180.0 20.0 2
!!K58
assign (resid 58 and name n)   (resid 58 and name ca) 
       (resid 58 and name cb)  (resid 58 and name cg) 1.0 -60.0 20.0 2
!!R59
assign (resid 59 and name n)   (resid 59 and name ca) 
       (resid 59 and name cb)  (resid 59 and name cg) 1.0 -60.0 20.0 2
!!N60
assign (resid 60 and name n)   (resid 60 and name ca) 
       (resid 60 and name cb)  (resid 60 and name cg) 1.0 0.0 90.0 2
!!R61
assign (resid 61 and name n)   (resid 61 and name ca) 
       (resid 61 and name cb)  (resid 61 and name cg) 1.0 -60.0 20.0 2
!!C12
assign (resid 12 and name n) (resid 12 and name ca)
       (resid 12 and name cb) (resid 12 and name sg) 1.0 180.0 20.0 2
!!C15
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name cb) (resid 15 and name sg) 1.0 60.0 20.0 2
!!C33
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name sg) 1.0 60.0 20.0 2
!!C36
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name cb) (resid 36 and name sg) 1.0 -60.0 20.0 2

!! Chi 2 angle restraints
!! F16
assign (resid 16 and name ca) (resid 16 and name cb)
       (resid 16 and name cg) (resid 16 and name cd1) 1.0 90.0 20.0 2
!! R24 
assign (resid 24 and name ca) (resid 24 and name cb)
       (resid 24 and name cg) (resid 24 and name cd) 1.0 -60.0 30.0 2
!! L32
assign (resid 32 and name ca) (resid 32 and name cb)
       (resid 32 and name cg) (resid 32 and name cd1) 1.0 180.0 20.0 2
!! L38
assign (resid 38 and name ca) (resid 38 and name cb)
       (resid 38 and name cg) (resid 38 and name cd1) 1.0 180.0 20.0 2
!! F39
assign (resid 39 and name ca) (resid 39 and name cb)
       (resid 39 and name cg) (resid 39 and name cd1) 1.0 90.0 20.0 2
!! L40
assign (resid 40 and name ca) (resid 40 and name cb)
       (resid 40 and name cg) (resid 40 and name cd1) 1.0 60.0 20.0 2
!! L42
assign (resid 42 and name ca) (resid 42 and name cb)
       (resid 42 and name cg) (resid 42 and name cd1) 1.0 180.0 20.0 2
!! R47 
assign (resid 47 and name ca) (resid 47 and name cb) 
       (resid 47 and name cg) (resid 47 and name cd) 1.0 120.0 90.0 2
!! H43
assign (resid 43 and name ca) (resid 43 and name cb)
       (resid 43 and name cg) (resid 43 and name nd1) 1.0 90.0 20.0 2
!! L49
assign (resid 49 and name ca) (resid 49 and name cb)
       (resid 49 and name cg) (resid 49 and name cd1) 1.0 180.0 20.0 2
!! L51
assign (resid 51 and name ca) (resid 51 and name cb)
       (resid 51 and name cg) (resid 51 and name cd1) 1.0 180.0 20.0 2
!! I56
assign (resid 56 and name ca) (resid 56 and name cb)
       (resid 56 and name cg1) (resid 56 and name cd1) 1.0 180.0 20.0 2
!! R59 
assign (resid 59 and name ca) (resid 59 and name cb) 
       (resid 59 and name cg) (resid 59 and name cd) 1.0 -120.0 90.0 2
!! R61 
assign (resid 61 and name ca) (resid 61 and name cb) 
       (resid 61 and name cg) (resid 61 and name cd) 1.0 -120.0 90.0 2

!! Chi 3 angle restraints

!!R24
assign (resid 24 and name cb) (resid 24 and name cg)
       (resid 24 and name cd) (resid 24 and name ne) 1.0  180.0 30.0 2
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	28724	6gat	cing	1-original	18	XPLOR/CNS	dihedral angle