NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type

530736 2lcc 17606 cing 1-original 3 XPLOR/CNS dihedral angle
!##:12-16,23-29,32-35,38-44,54-57  ss####

!12-17
assign (resid 11 and name c) (resid 12 and name n)
     (resid 12 and name ca) (resid 12 and name c) 1.0 -139 30.0 2
assign (resid 12 and name n) (resid 12 and name ca)
  (resid 12 and name c) (resid 13 and name n) 1.0 165.7 14.5 2  !10-8-19, 165.7 +- 7.2

assign (resid 12 and name c) (resid 13 and name n)
     (resid 13 and name ca) (resid 13 and name c) 1.0 -139 30.0 2
assign (resid 13 and name n) (resid 13 and name ca)
  (resid 13 and name c) (resid 14 and name n) 1.0 135 30.0 2

assign (resid 13 and name c) (resid 14 and name n)
     (resid 14 and name ca) (resid 14 and name c) 1.0 -139 30.0 2
assign (resid 14 and name n) (resid 14 and name ca)
  (resid 14 and name c) (resid 15 and name n) 1.0 135 30.0 2

assign (resid 14 and name c) (resid 15 and name n)
     (resid 15 and name ca) (resid 15 and name c) 1.0 -139 30.0 2
assign (resid 15 and name n) (resid 15 and name ca)
  (resid 15 and name c) (resid 16 and name n) 1.0 135 30.0 2

assign (resid 15 and name c) (resid 16 and name n)
     (resid 16 and name ca) (resid 16 and name c) 1.0 -139 30.0 2
assign (resid 16 and name n) (resid 16 and name ca)
  (resid 16 and name c) (resid 17 and name n) 1.0 135 30.0 2

assign (resid 16 and name c) (resid 17 and name n)
     (resid 17 and name ca) (resid 17 and name c) 1.0 -139 40.0 2
assign (resid 17 and name n) (resid 17 and name ca)
  (resid 17 and name c) (resid 18 and name n) 1.0 135 35.0 2

! 23-27
assign (resid 22 and name c) (resid 23 and name n)
     (resid 23 and name ca) (resid 23 and name c) 1.0 -134 30.0 2   !10-8-6; ori: -139 +- 30
assign (resid 23 and name n) (resid 23 and name ca)
  (resid 23 and name c) (resid 24 and name n) 1.0 135 30.0 2 

assign (resid 23 and name c) (resid 24 and name n)
     (resid 24 and name ca) (resid 24 and name c) 1.0 -139 30.0 2
assign (resid 24 and name n) (resid 24 and name ca)
  (resid 24 and name c) (resid 25 and name n) 1.0 135 30.0 2

assign (resid 24 and name c) (resid 25 and name n)
     (resid 25 and name ca) (resid 25 and name c) 1.0 -139 30.0 2
assign (resid 25 and name n) (resid 25 and name ca)
  (resid 25 and name c) (resid 26 and name n) 1.0 135 30.0 2

assign (resid 25 and name c) (resid 26 and name n)
     (resid 26 and name ca) (resid 26 and name c) 1.0 -139 30.0 2
assign (resid 26 and name n) (resid 26 and name ca)
  (resid 26 and name c) (resid 27 and name n) 1.0 135 30.0 2

assign (resid 26 and name c) (resid 27 and name n)
     (resid 27 and name ca) (resid 27 and name c) 1.0 -139 30.0 2
assign (resid 27 and name n) (resid 27 and name ca)
  (resid 27 and name c) (resid 28 and name n) 1.0 161 20.0 2   !10-8-19 A27

! 32-35
assign (resid 31 and name c) (resid 32 and name n)
     (resid 32 and name ca) (resid 32 and name c) 1.0 -139 30.0 2
assign (resid 32 and name n) (resid 32 and name ca)
  (resid 32 and name c) (resid 33 and name n) 1.0 135 30.0 2

assign (resid 32 and name c) (resid 33 and name n)
     (resid 33 and name ca) (resid 33 and name c) 1.0 -134 30.0 2     !10-8-6; ori: -139
assign (resid 33 and name n) (resid 33 and name ca)
  (resid 33 and name c) (resid 34 and name n) 1.0 135 30.0 2

assign (resid 33 and name c) (resid 34 and name n)
     (resid 34 and name ca) (resid 34 and name c) 1.0 -139 30.0 2
assign (resid 34 and name n) (resid 34 and name ca)
  (resid 34 and name c) (resid 35 and name n) 1.0 135 30.0 2

assign (resid 34 and name c) (resid 35 and name n)
     (resid 35 and name ca) (resid 35 and name c) 1.0 -139 30.0 2
assign (resid 35 and name n) (resid 35 and name ca)
  (resid 35 and name c) (resid 36 and name n) 1.0 135 30.0 2

!38-44
assign (resid 37 and name c) (resid 38 and name n)
     (resid 38 and name ca) (resid 38 and name c) 1.0 -139 30.0 2
assign (resid 38 and name n) (resid 38 and name ca)
  (resid 38 and name c) (resid 39 and name n) 1.0 135 30.0 2

assign (resid 38 and name c) (resid 39 and name n)
     (resid 39 and name ca) (resid 39 and name c) 1.0 -129 30.0 2
assign (resid 39 and name n) (resid 39 and name ca)
  (resid 39 and name c) (resid 40 and name n) 1.0 135 30.0 2

assign (resid 39 and name c) (resid 40 and name n)
     (resid 40 and name ca) (resid 40 and name c) 1.0 -139 30.0 2
assign (resid 40 and name n) (resid 40 and name ca)
  (resid 40 and name c) (resid 41 and name n) 1.0 135 30.0 2

assign (resid 40 and name c) (resid 41 and name n)
     (resid 41 and name ca) (resid 41 and name c) 1.0 -139 30.0 2
assign (resid 41 and name n) (resid 41 and name ca)
  (resid 41 and name c) (resid 42 and name n) 1.0 135 30.0 2

assign (resid 41 and name c) (resid 42 and name n)
     (resid 42 and name ca) (resid 42 and name c) 1.0 -139 30.0 2
assign (resid 42 and name n) (resid 42 and name ca)
  (resid 42 and name c) (resid 43 and name n) 1.0 135 30.0 2

assign (resid 42 and name c) (resid 43 and name n)
     (resid 43 and name ca) (resid 43 and name c) 1.0 -139 20.0 2
assign (resid 43 and name n) (resid 43 and name ca)
  (resid 43 and name c) (resid 44 and name n) 1.0 135 20.0 2

assign (resid 43 and name c) (resid 44 and name n)
     (resid 44 and name ca) (resid 44 and name c) 1.0 -139 20.0 2
assign (resid 44 and name n) (resid 44 and name ca)
  (resid 44 and name c) (resid 45 and name n) 1.0 135 20.0 2

assign (resid 53 and name c) (resid 54 and name n)
     (resid 54 and name ca) (resid 54 and name c) 1.0 -139 20.0 2
assign (resid 54 and name n) (resid 54 and name ca)
  (resid 54 and name c) (resid 55 and name n) 1.0 145 20.0 2 !10-8-20

assign (resid 54 and name c) (resid 55 and name n)
     (resid 55 and name ca) (resid 55 and name c) 1.0 -129 30.0 2 !10-8-20
assign (resid 55 and name n) (resid 55 and name ca)
  (resid 55 and name c) (resid 56 and name n) 1.0 135 30.0 2

assign (resid 55 and name c) (resid 56 and name n)
     (resid 56 and name ca) (resid 56 and name c) 1.0 -139 20.0 2   ! 10-8-6,ori: -139
assign (resid 56 and name n) (resid 56 and name ca)
  (resid 56 and name c) (resid 57 and name n) 1.0 135 30.0 2



!!added at 2010-7-31, according to talos
! THR 8
assign (resid 7 and name c) (resid 8 and name n)
     (resid 8 and name ca) (resid 8 and name c) 1.0 -62.2 20 2  !10-8-6, pre:-57.2
assign (resid 8 and name n) (resid 8 and name ca)
  (resid 8 and name c) (resid 9 and name n) 1.0 134.9 20 2

! THR 10
assign (resid 9 and name c) (resid 10 and name n)
     (resid 10 and name ca) (resid 10 and name c) 1.0 -72.2 20 2   !10-8-6, pre:-67.2
assign (resid 10 and name n) (resid 10 and name ca)
  (resid 10 and name c) (resid 11 and name n) 1.0 138 30 2

! ARG 18
assign (resid 17 and name c) (resid 18 and name n)
     (resid 18 and name ca) (resid 18 and name c) 1.0 -115.4 30   2
assign (resid 18 and name n) (resid 18 and name ca)
  (resid 18 and name c) (resid 19 and name n) 1.0 135.8 30 2

!GLY19  WARN !!
!assign (resid 18 and name c) (resid 19 and name n)
!     (resid 19 and name ca) (resid 19 and name c) 1.0 -72 96 2
!assign (resid 18 and name n) (resid 19 and name ca)
!  (resid 19 and name c) (resid 19 and name n) 1.0 160 58 2

! LYS 20
assign (resid 19 and name c) (resid 20 and name n)
     (resid 20 and name ca) (resid 20 and name c) 1.0 -66.1 28 2
assign (resid 20 and name n) (resid 20 and name ca)
  (resid 20 and name c) (resid 21 and name n) 1.0 -27 20 2

! THR 21
!assign (resid 20 and name c) (resid 21 and name n)
!     (resid 21 and name ca) (resid 21 and name c) 1.0 -97.6 15   2  !10-8-13, T21 10-8-18
!assign (resid 21 and name n) (resid 21 and name ca)
!  (resid 21 and name c) (resid 22 and name n) 1.0 -2.949 15      2  !10-8-13, T21 10-8-18

! GLN 22
assign (resid 21 and name c) (resid 22 and name n)
     (resid 22 and name ca) (resid 22 and name c) 1.0 -111 40 2  !10-8-19, ori:-111 70, -139 +- 30
assign (resid 22 and name n) (resid 22 and name ca)
  (resid 22 and name c) (resid 23 and name n) 1.0 130.6 30 2  !10-8-18, ori:130.6 24.4

! Ser28
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -134.6 30   2  !10-8-19, S28
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name c) (resid 29 and name n) 1.0 150 30  2  !10-8-19, S28

! ILE 29
assign (resid 28 and name c) (resid 29 and name n)
     (resid 29 and name ca) (resid 29 and name c) 1.0 -79.5 30   2  !10-8-19, I29
assign (resid 29 and name n) (resid 29 and name ca)
  (resid 29 and name c) (resid 30 and name n) 1.0 122.6 30  2  !10-8-19, I29

! LYS 30
assign (resid 29 and name c) (resid 30 and name n)
     (resid 30 and name ca) (resid 30 and name c) 1.0 -91.5 30   2  !10-8-19, K30
assign (resid 30 and name n) (resid 30 and name ca)
  (resid 30 and name c) (resid 31 and name n) 1.0 -33.75 30  2  !10-8-19, K30

! SER 31
assign (resid 30 and name c) (resid 31 and name n)
     (resid 31 and name ca) (resid 31 and name c) 1.0 -151.1 52 2
assign (resid 31 and name n) (resid 31 and name ca)
  (resid 31 and name c) (resid 32 and name n) 1.0 162.5 20 2

! ASP36  10-8-16
assign (resid 35 and name c) (resid 36 and name n)
     (resid 36 and name ca) (resid 36 and name c) 1.0 51.9 20 2
assign (resid 36 and name n) (resid 36 and name ca)
  (resid 36 and name c) (resid 37 and name n) 1.0  43.8 20 2

! GLY 37    WARN !! # added at 2010-8-16
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 73 30 2
assign (resid 37 and name n) (resid 37 and name ca)
      (resid 37 and name c) (resid 38 and name n) 1.0 4  30 2

! TYR 45  # added at 2010-8-2
assign (resid 44 and name c) (resid 45 and name n)
      (resid 45 and name ca) (resid 45 and name c) 1.0 -79.35 25.55 2
assign (resid 45 and name n) (resid 45 and name ca)
      (resid 45 and name c) (resid 46 and name n) 1.0 127.2 25 2   !10-8-23   130.2+-20

! ASN 49  # added at 2010-8-19
assign (resid 48 and name c) (resid 49 and name n)
      (resid 49 and name ca) (resid 49 and name c) 1.0 -86.2 92 2
assign (resid 49 and name n) (resid 49 and name ca)
      (resid 49 and name c) (resid 50 and name n) 1.0 142.9 50 2

! VAL 50  # added at 2010-8-19
assign (resid 49 and name c) (resid 50 and name n)
      (resid 50 and name ca) (resid 50 and name c) 1.0 -63.7 25 2   !10-8-23  18
assign (resid 50 and name n) (resid 50 and name ca)
      (resid 50 and name c) (resid 51 and name n) 1.0 -30.75 34.5 2

! ARG 51  10-8-19
assign (resid 50 and name c) (resid 51 and name n)
     (resid 51 and name ca) (resid 51 and name c) 1.0 -78.8 30 2 !10-8-23  20
assign (resid 51 and name n) (resid 51 and name ca)
  (resid 51 and name c) (resid 52 and name n) 1.0 -22.6 33 2 ! 10-8-23  -22.6+-25

! TYR 52,  WARN !!  10-8-24
!assign (resid 51 and name c) (resid 52 and name n)
!       (resid 52 and name ca) (resid 52 and name c) 1.0 -97.6 30 2   ! 10-8-23, ori: 33
!assign (resid 52 and name n) (resid 52 and name ca)
!       (resid 52 and name c) (resid 53 and name n) 1.0 -5.9 30 2   ! 10-8-23, ori: 30

! ASP 53  # add 2010-8-23
!assign (resid 52 and name c) (resid 53 and name n)
!      (resid 53 and name ca) (resid 53 and name c) 1.0 -80.7 40 2  !10-8-23, -75.7+-40
!assign (resid 53 and name n) (resid 53 and name ca)
!      (resid 53 and name c) (resid 54 and name n) 1.0 132.1 54 2   !D:27.278

! LYS 57
assign (resid 56 and name c) (resid 57 and name n)
     (resid 57 and name ca) (resid 57 and name c) 1.0 -87 30 2  !10-8-6, ori: -77 +- 20
assign (resid 57 and name n) (resid 57 and name ca)
  (resid 57 and name c) (resid 58 and name n) 1.0 164.5 20 2

! ALA 58
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -57.4 20 2
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n) 1.0 -33.6 20 2

! ASP 59
assign (resid 58 and name c) (resid 59 and name n)
     (resid 59 and name ca) (resid 59 and name c) 1.0 -65.6 20 2
assign (resid 59 and name n) (resid 59 and name ca)
  (resid 59 and name c) (resid 60 and name n) 1.0 -22.75 20 2

! ARG 60
assign (resid 59 and name c) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -95.15 20 2
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 -8.4 20 2

! ILE 61
assign (resid 60 and name c) (resid 61 and name n)
     (resid 61 and name ca) (resid 61 and name c) 1.0 -139 30 2   !10-8-6, ori:-76.1 70
assign (resid 61 and name n) (resid 61 and name ca)
  (resid 61 and name c) (resid 62 and name n) 1.0 135 30 2  !10-8-6, ori: 126.15 22.05

! ILE 62
assign (resid 61 and name c) (resid 62 and name n)
     (resid 62 and name ca) (resid 62 and name c) 1.0 -139 30 2  !10-8-6, ori:-102.9 34.4
assign (resid 62 and name n) (resid 62 and name ca)
  (resid 62 and name c) (resid 63 and name n) 1.0 135 30 2  !10-8-6, ori:122.75 21.85

! TRP 63  del 10-8-13
assign (resid 62 and name c) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -81.5 30 2  !10-8-6, ori:81.55 19.44
assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name c) (resid 64 and name n) 1.0 129 30 2  !10-8-6, ori:129.15 24.37

! PRO 64
assign (resid 63 and name c) (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1.0 -66.5 30 2
assign (resid 64 and name n) (resid 64 and name ca)
       (resid 64 and name c) (resid 65 and name n) 1.0 150.2 30 2 ! 10-8-20

! LEU 65  , 10-8-10  WARN !!
!assign (resid 64 and name c) (resid 65 and name n)
! (resid 65 and name ca) (resid 65 and name c) 1.0 -98.5 30 2
!assign (resid 65 and name n) (resid 65 and name ca)
! (resid 65 and name c) (resid 66 and name n) 1.0 135.6 30 2

! ASP 66, 10-8-10  WARN !!
!assign (resid 65 and name c) (resid 66 and name n)
!       (resid 66 and name ca) (resid 66 and name c) 1.0 -98 70 2
!assign (resid 66 and name n) (resid 66 and name ca)
!       (resid 66 and name c) (resid 67 and name n) 1.0 132.5 30 2

! GLU 70, 10-8-20  WARN !!
!assign (resid 69 and name c) (resid 70 and name n)
!       (resid 70 and name ca) (resid 70 and name c) 1.0 -105.6 30 2
!assign (resid 70 and name n) (resid 70 and name ca)
!       (resid 70 and name c) (resid 71 and name n) 1.0 3.5 30 2

! HIS 71
assign (resid 70 and name c) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 1.0 -109.1 70 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name c) (resid 72 and name n) 1.0 100.8 61.3 2

! HIS 72
assign (resid 71 and name c) (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 1.0 -69.65 32.65 2
assign (resid 72 and name n) (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1.0 -23.5 30 2
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	530736	2lcc	17606	cing	1-original	3	XPLOR/CNS	dihedral angle