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
6477 1j57 5261 cing 1-original 3 XPLOR/CNS dihedral angle


! Talos Database predictions rerun by GM 030399
! Chemical shifts corrected for deuteration HVIL labeling
! Talos recompiled without mbp in database.

{* PHI restraints from Luginbuehl et al., JMR B 109(1995):229-233 *}
{* Helix: -120...-20 = -70.0 50.0 2 *}
{* Sheet: 160...180...-80 = -140.0 60.0 2 *}
{* PSI restraints --- see note above *}
{* Helix: -100...0 = -50.0 50.0 2 *}
{* Sheet: 40.0...180.0...-140.0 = 130.0 90.0 2 *}

!Talos predictions take precedance.

! Resdiue S 9 DATABASE
assign (resid 8 and name C  )(resid 9 and name N  )
       (resid 9 and name CA )(resid 9 and name C  ) 1.0 -97.00 32.00 2
assign (resid 9 and name N  )(resid 9 and name CA )
       (resid 9 and name C  )(resid 10 and name N  ) 1.0 131.00 48.00 2

! Resdiue T 10 DATABASE
assign (resid 9 and name C  )(resid 10 and name N  )
       (resid 10 and name CA )(resid 10 and name C  ) 1.0 -93.00 34.00 2
assign (resid 10 and name N  )(resid 10 and name CA )
       (resid 10 and name C  )(resid 11 and name N  ) 1.0 130.00 40.00 2

! Resdiue T 12 DATABASE
assign (resid 11 and name C  )(resid 12 and name N  )
       (resid 12 and name CA )(resid 12 and name C  ) 1.0 -107.00 58.00 2
assign (resid 12 and name N  )(resid 12 and name CA )
       (resid 12 and name C  )(resid 13 and name N  ) 1.0 159.00 46.00 2

! Resdiue N 13 DATABASE
assign (resid 12 and name C  )(resid 13 and name N  )
       (resid 13 and name CA )(resid 13 and name C  ) 1.0 -61.43 20.00 2
assign (resid 13 and name N  )(resid 13 and name CA )
       (resid 13 and name C  )(resid 14 and name N  ) 1.0 -35.92 20.00 2

! Resdiue S 14 DATABASE
assign (resid 13 and name C  )(resid 14 and name N  )
       (resid 14 and name CA )(resid 14 and name C  ) 1.0 -63.01 20.00 2
assign (resid 14 and name N  )(resid 14 and name CA )
       (resid 14 and name C  )(resid 15 and name N  ) 1.0 -43.31 20.00 2

! Resdiue E 15 DATABASE
assign (resid 14 and name C  )(resid 15 and name N  )
       (resid 15 and name CA )(resid 15 and name C  ) 1.0 -66.86 20.00 2
assign (resid 15 and name N  )(resid 15 and name CA )
       (resid 15 and name C  )(resid 16 and name N  ) 1.0 -40.85 20.00 2

! Resdiue I 16 DATABASE
assign (resid 15 and name C  )(resid 16 and name N  )
       (resid 16 and name CA )(resid 16 and name C  ) 1.0 -63.95 20.00 2
assign (resid 16 and name N  )(resid 16 and name CA )
       (resid 16 and name C  )(resid 17 and name N  ) 1.0 -42.65 20.00 2

! Resdiue L 17 DATABASE
assign (resid 16 and name C  )(resid 17 and name N  )
       (resid 17 and name CA )(resid 17 and name C  ) 1.0 -61.71 20.00 2
assign (resid 17 and name N  )(resid 17 and name CA )
       (resid 17 and name C  )(resid 18 and name N  ) 1.0 -41.20 20.00 2

! Resdiue E 18 DATABASE
assign (resid 17 and name C  )(resid 18 and name N  )
       (resid 18 and name CA )(resid 18 and name C  ) 1.0 -65.37 20.00 2
assign (resid 18 and name N  )(resid 18 and name CA )
       (resid 18 and name C  )(resid 19 and name N  ) 1.0 -40.16 20.00 2

! Resdiue Q 19 DATABASE
assign (resid 18 and name C  )(resid 19 and name N  )
       (resid 19 and name CA )(resid 19 and name C  ) 1.0 -67.40 20.00 2
assign (resid 19 and name N  )(resid 19 and name CA )
       (resid 19 and name C  )(resid 20 and name N  ) 1.0 -38.92 20.00 2

! Resdiue L 20 DATABASE
assign (resid 19 and name C  )(resid 20 and name N  )
       (resid 20 and name CA )(resid 20 and name C  ) 1.0 -64.98 20.00 2
assign (resid 20 and name N  )(resid 20 and name CA )
       (resid 20 and name C  )(resid 21 and name N  ) 1.0 -39.14 20.00 2

! Resdiue K 21 DATABASE
assign (resid 20 and name C  )(resid 21 and name N  )
       (resid 21 and name CA )(resid 21 and name C  ) 1.0 -69.76 20.00 2
assign (resid 21 and name N  )(resid 21 and name CA )
       (resid 21 and name C  )(resid 22 and name N  ) 1.0 -41.21 20.00 2

! Resdiue Q 22 DATABASE
assign (resid 21 and name C  )(resid 22 and name N  )
       (resid 22 and name CA )(resid 22 and name C  ) 1.0 -63.38 20.00 2
assign (resid 22 and name N  )(resid 22 and name CA )
       (resid 22 and name C  )(resid 23 and name N  ) 1.0 -35.74 20.00 2

! Resid A 23 --- helix CSI 
assign (resid 22 and name C  )(resid 23 and name N )
       (resid 23 and name CA )(resid 23 and name C ) 1.0 -70.0 50.0 2

assign (resid 23 and name N  )(resid 23 and name CA )
       (resid 23 and name C  )(resid 24 and name N ) 1.0 -50.0 50.0 2

! Resid S 24 --- helix CSI 
assign (resid 23 and name C  )(resid 24 and name N )
       (resid 24 and name CA )(resid 24 and name C ) 1.0 -70.0 50.0 2

assign (resid 24 and name N  )(resid 24 and name CA )
       (resid 24 and name C  )(resid 25 and name N ) 1.0 -50.0 50.0 2

! Resid D 25 --- helix CSI 
assign (resid 24 and name C  )(resid 25 and name N )
       (resid 25 and name CA )(resid 25 and name C ) 1.0 -70.0 50.0 2

assign (resid 25 and name N  )(resid 25 and name CA )
       (resid 25 and name C  )(resid 26 and name N ) 1.0 -50.0 50.0 2

! Resid G 26 --- helix CSI 
assign (resid 25 and name C  )(resid 26 and name N )
       (resid 26 and name CA )(resid 26 and name C ) 1.0 -70.0 50.0 2

assign (resid 26 and name N  )(resid 26 and name CA )
       (resid 26 and name C  )(resid 27 and name N ) 1.0 -50.0 50.0 2

! Resdiue L 28 DATABASE
assign (resid 27 and name C  )(resid 28 and name N  )
       (resid 28 and name CA )(resid 28 and name C  ) 1.0 -101.71 38.34 2
assign (resid 28 and name N  )(resid 28 and name CA )
       (resid 28 and name C  )(resid 29 and name N  ) 1.0 122.27 36.98 2

! Resdiue F 29 DATABASE
assign (resid 28 and name C  )(resid 29 and name N  )
       (resid 29 and name CA )(resid 29 and name C  ) 1.0 -83.64 38.88 2
assign (resid 29 and name N  )(resid 29 and name CA )
       (resid 29 and name C  )(resid 30 and name N  ) 1.0 123.89 24.90 2

! Resdiue M 30 DATABASE
assign (resid 29 and name C  )(resid 30 and name N  )
       (resid 30 and name CA )(resid 30 and name C  ) 1.0 -101.11 56.02 2
assign (resid 30 and name N  )(resid 30 and name CA )
       (resid 30 and name C  )(resid 31 and name N  ) 1.0 128.35 40.90 2

! Resid S 33 --- strand CSI
assign (resid 32 and name C  )(resid 33 and name N )
       (resid 33 and name CA )(resid 33 and name C ) 1.0 -140.0 60.0 2
assign (resid 33 and name N  )(resid 33 and name CA )
       (resid 33 and name C  )(resid 34 and name N ) 1.0 130.0 90.0 2

! Resdiue E 34 DATABASE
assign (resid 33 and name C  )(resid 34 and name N  )
       (resid 34 and name CA )(resid 34 and name C  ) 1.0 -116.18 47.02 2
assign (resid 34 and name N  )(resid 34 and name CA )
       (resid 34 and name C  )(resid 35 and name N  ) 1.0 139.20 32.44 2

! Resdiue Y 35 DATABASE
assign (resid 34 and name C  )(resid 35 and name N  )
       (resid 35 and name CA )(resid 35 and name C  ) 1.0 -135.78 20.28 2
assign (resid 35 and name N  )(resid 35 and name CA )
       (resid 35 and name C  )(resid 36 and name N  ) 1.0 147.93 31.20 2

! Resdiue P 36 DATABASE
assign (resid 35 and name C  )(resid 36 and name N  )
       (resid 36 and name CA )(resid 36 and name C  ) 1.0 -106.08 44.02 2
assign (resid 36 and name N  )(resid 36 and name CA )
       (resid 36 and name C  )(resid 37 and name N  ) 1.0 128.10 22.48 2

! Resdiue F 37 DATABASE
assign (resid 36 and name C  )(resid 37 and name N  )
       (resid 37 and name CA )(resid 37 and name C  ) 1.0 -102.62 41.14 2
assign (resid 37 and name N  )(resid 37 and name CA )
       (resid 37 and name C  )(resid 38 and name N  ) 1.0 144.31 28.82 2

! Resdiue E 38 DATABASE
assign (resid 37 and name C  )(resid 38 and name N  )
       (resid 38 and name CA )(resid 38 and name C  ) 1.0 -129.87 31.28 2
assign (resid 38 and name N  )(resid 38 and name CA )
       (resid 38 and name C  )(resid 39 and name N  ) 1.0 139.97 36.66 2

! Resdiue V 39 DATABASE
assign (resid 38 and name C  )(resid 39 and name N  )
       (resid 39 and name CA )(resid 39 and name C  ) 1.0 -105.37 29.24 2
assign (resid 39 and name N  )(resid 39 and name CA )
       (resid 39 and name C  )(resid 40 and name N  ) 1.0 133.29 28.76 2

! Resdiue F 40 DATABASE
assign (resid 39 and name C  )(resid 40 and name N  )
       (resid 40 and name CA )(resid 40 and name C  ) 1.0 -132.77 35.20 2
assign (resid 40 and name N  )(resid 40 and name CA )
       (resid 40 and name C  )(resid 41 and name N  ) 1.0 152.24 20.00 2

! Resdiue L 41 DATABASE
assign (resid 40 and name C  )(resid 41 and name N  )
       (resid 41 and name CA )(resid 41 and name C  ) 1.0 -121.00 44.00 2
assign (resid 41 and name N  )(resid 41 and name CA )
       (resid 41 and name C  )(resid 42 and name N  ) 1.0 117.00 34.00 2

! Resdiue W 42 DATABASE
assign (resid 41 and name C  )(resid 42 and name N  )
       (resid 42 and name CA )(resid 42 and name C  ) 1.0 -109.00 38.00 2
assign (resid 42 and name N  )(resid 42 and name CA )
       (resid 42 and name C  )(resid 43 and name N  ) 1.0 104.00 48.00 2

! Resdiue S 45 DATABASE
assign (resid 44 and name C  )(resid 45 and name N  )
       (resid 45 and name CA )(resid 45 and name C  ) 1.0 -109.00 50.00 2
assign (resid 45 and name N  )(resid 45 and name CA )
       (resid 45 and name C  )(resid 46 and name N  ) 1.0 142.00 36.00 2

! Resdiue P 47 DATABASE
assign (resid 46 and name C  )(resid 47 and name N  )
       (resid 47 and name CA )(resid 47 and name C  ) 1.0 -75.00 28.00 2
assign (resid 47 and name N  )(resid 47 and name CA )
       (resid 47 and name C  )(resid 48 and name N  ) 1.0 143.00 36.00 2

! Resdiue T 50 DATABASE
assign (resid 49 and name C  )(resid 50 and name N  )
       (resid 50 and name CA )(resid 50 and name C  ) 1.0 -121.00 44.00 2
assign (resid 50 and name N  )(resid 50 and name CA )
       (resid 50 and name C  )(resid 51 and name N  ) 1.0 163.00 26.00 2

! Resdiue H 51 DATABASE
assign (resid 50 and name C  )(resid 51 and name N  )
       (resid 51 and name CA )(resid 51 and name C  ) 1.0 -94.67 50.30 2
assign (resid 51 and name N  )(resid 51 and name CA )
       (resid 51 and name C  )(resid 52 and name N  ) 1.0 119.56 34.62 2

! Resdiue I 53 DATABASE
assign (resid 52 and name C  )(resid 53 and name N  )
       (resid 53 and name CA )(resid 53 and name C  ) 1.0 -65.00 20.00 2
assign (resid 53 and name N  )(resid 53 and name CA )
       (resid 53 and name C  )(resid 54 and name N  ) 1.0 -41.00 20.00 2

! Resdiue V 54 DATABASE
assign (resid 53 and name C  )(resid 54 and name N  )
       (resid 54 and name CA )(resid 54 and name C  ) 1.0 -62.00 20.00 2
assign (resid 54 and name N  )(resid 54 and name CA )
       (resid 54 and name C  )(resid 55 and name N  ) 1.0 -38.00 20.00 2

! Resdiue L 55 DATABASE
assign (resid 54 and name C  )(resid 55 and name N  )
       (resid 55 and name CA )(resid 55 and name C  ) 1.0 -68.33 20.00 2
assign (resid 55 and name N  )(resid 55 and name CA )
       (resid 55 and name C  )(resid 56 and name N  ) 1.0 -36.39 26.90 2

! Resdiue Q 56 DATABASE
assign (resid 55 and name C  )(resid 56 and name N  )
       (resid 56 and name CA )(resid 56 and name C  ) 1.0 -67.03 21.42 2
assign (resid 56 and name N  )(resid 56 and name CA )
       (resid 56 and name C  )(resid 57 and name N  ) 1.0 -37.43 34.54 2

! Resdiue Q 57 DATABASE
assign (resid 56 and name C  )(resid 57 and name N  )
       (resid 57 and name CA )(resid 57 and name C  ) 1.0 -67.93 34.20 2
assign (resid 57 and name N  )(resid 57 and name CA )
       (resid 57 and name C  )(resid 58 and name N  ) 1.0 -22.19 32.42 2

! Resid T 58 --- helix CSI 
assign (resid 57 and name C  )(resid 58 and name N )
       (resid 58 and name CA )(resid 58 and name C ) 1.0 -70.0 50.0 2

assign (resid 58 and name N  )(resid 58 and name CA )
       (resid 58 and name C  )(resid 59 and name N ) 1.0 -50.0 50.0 2

! Resid G 59 --- helix CSI 
assign (resid 58 and name C  )(resid 59 and name N )
       (resid 59 and name CA )(resid 59 and name C ) 1.0 -70.0 50.0 2

assign (resid 59 and name N  )(resid 59 and name CA )
       (resid 59 and name C  )(resid 60 and name N ) 1.0 -50.0 50.0 2

! Resdiue A 64 DATABASE
assign (resid 63 and name C  )(resid 64 and name N  )
       (resid 64 and name CA )(resid 64 and name C  ) 1.0 -82.76 24.76 2
assign (resid 64 and name N  )(resid 64 and name CA )
       (resid 64 and name C  )(resid 65 and name N  ) 1.0 142.26 40.66 2

! Resdiue F 66 DATABASE
assign (resid 65 and name C  )(resid 66 and name N  )
       (resid 66 and name CA )(resid 66 and name C  ) 1.0 -121.75 55.88 2
assign (resid 66 and name N  )(resid 66 and name CA )
       (resid 66 and name C  )(resid 67 and name N  ) 1.0 142.51 30.12 2

! Resdiue K 67 DATABASE
assign (resid 66 and name C  )(resid 67 and name N  )
       (resid 67 and name CA )(resid 67 and name C  ) 1.0 -143.40 36.58 2
assign (resid 67 and name N  )(resid 67 and name CA )
       (resid 67 and name C  )(resid 68 and name N  ) 1.0 140.80 43.72 2

! Resdiue V 68 DATABASE
assign (resid 67 and name C  )(resid 68 and name N  )
       (resid 68 and name CA )(resid 68 and name C  ) 1.0 -111.95 20.16 2
assign (resid 68 and name N  )(resid 68 and name CA )
       (resid 68 and name C  )(resid 69 and name N  ) 1.0 129.73 22.96 2

! Resdiue V 69 DATABASE
assign (resid 68 and name C  )(resid 69 and name N  )
       (resid 69 and name CA )(resid 69 and name C  ) 1.0 -131.00 40.00 2
assign (resid 69 and name N  )(resid 69 and name CA )
       (resid 69 and name C  )(resid 70 and name N  ) 1.0 155.00 32.00 2

! Resdiue D 70 DATABASE
assign (resid 69 and name C  )(resid 70 and name N  )
       (resid 70 and name CA )(resid 70 and name C  ) 1.0 -91.59 39.54 2
assign (resid 70 and name N  )(resid 70 and name CA )
       (resid 70 and name C  )(resid 71 and name N  ) 1.0 132.77 37.62 2

! Resdiue I 71 DATABASE
assign (resid 70 and name C  )(resid 71 and name N  )
       (resid 71 and name CA )(resid 71 and name C  ) 1.0 -60.92 20.00 2
assign (resid 71 and name N  )(resid 71 and name CA )
       (resid 71 and name C  )(resid 72 and name N  ) 1.0 -39.20 25.56 2

! Resdiue D 72 DATABASE
assign (resid 71 and name C  )(resid 72 and name N  )
       (resid 72 and name CA )(resid 72 and name C  ) 1.0 -64.41 20.00 2
assign (resid 72 and name N  )(resid 72 and name CA )
       (resid 72 and name C  )(resid 73 and name N  ) 1.0 -36.94 20.00 2

! Resdiue S 73 DATABASE
assign (resid 72 and name C  )(resid 73 and name N  )
       (resid 73 and name CA )(resid 73 and name C  ) 1.0 -66.37 20.00 2
assign (resid 73 and name N  )(resid 73 and name CA )
       (resid 73 and name C  )(resid 74 and name N  ) 1.0 -38.09 20.00 2

! Resdiue F 74 DATABASE
assign (resid 73 and name C  )(resid 74 and name N  )
       (resid 74 and name CA )(resid 74 and name C  ) 1.0 -69.19 20.00 2
assign (resid 74 and name N  )(resid 74 and name CA )
       (resid 74 and name C  )(resid 75 and name N  ) 1.0 -37.52 20.00 2

! Resdiue F 75 DATABASE
assign (resid 74 and name C  )(resid 75 and name N  )
       (resid 75 and name CA )(resid 75 and name C  ) 1.0 -70.90 33.60 2
assign (resid 75 and name N  )(resid 75 and name CA )
       (resid 75 and name C  )(resid 76 and name N  ) 1.0 -29.58 35.94 2

! Resid S 76 --- helix CSI 
assign (resid 75 and name C  )(resid 76 and name N )
       (resid 76 and name CA )(resid 76 and name C ) 1.0 -70.0 50.0 2

assign (resid 76 and name N  )(resid 76 and name CA )
       (resid 76 and name C  )(resid 77 and name N ) 1.0 -50.0 50.0 2

! Resid R 77 --- helix CSI 
assign (resid 76 and name C  )(resid 77 and name N )
       (resid 77 and name CA )(resid 77 and name C ) 1.0 -70.0 50.0 2

assign (resid 77 and name N  )(resid 77 and name CA )
       (resid 77 and name C  )(resid 78 and name N ) 1.0 -50.0 50.0 2

! Resdiue A 78 DATABASE
assign (resid 77 and name C  )(resid 78 and name N  )
       (resid 78 and name CA )(resid 78 and name C  ) 1.0 -86.03 56.12 2
assign (resid 78 and name N  )(resid 78 and name CA )
       (resid 78 and name C  )(resid 79 and name N  ) 1.0 124.24 46.76 2

! Resdiue T 80 DATABASE
assign (resid 79 and name C  )(resid 80 and name N  )
       (resid 80 and name CA )(resid 80 and name C  ) 1.0 -108.61 43.14 2
assign (resid 80 and name N  )(resid 80 and name CA )
       (resid 80 and name C  )(resid 81 and name N  ) 1.0 135.22 43.20 2

! Resdiue W 84 DATABASE
assign (resid 83 and name C  )(resid 84 and name N  )
       (resid 84 and name CA )(resid 84 and name C  ) 1.0 -102.00 30.00 2
assign (resid 84 and name N  )(resid 84 and name CA )
       (resid 84 and name C  )(resid 85 and name N  ) 1.0 -2.00 38.00 2

! Resdiue D 87 DATABASE
assign (resid 86 and name C  )(resid 87 and name N  )
       (resid 87 and name CA )(resid 87 and name C  ) 1.0 -62.29 20.00 2
assign (resid 87 and name N  )(resid 87 and name CA )
       (resid 87 and name C  )(resid 88 and name N  ) 1.0 -37.13 20.00 2

! Resdiue E 88 DATABASE
assign (resid 87 and name C  )(resid 88 and name N  )
       (resid 88 and name CA )(resid 88 and name C  ) 1.0 -65.89 20.00 2
assign (resid 88 and name N  )(resid 88 and name CA )
       (resid 88 and name C  )(resid 89 and name N  ) 1.0 -41.20 20.00 2

! Resdiue E 89 DATABASE
assign (resid 88 and name C  )(resid 89 and name N  )
       (resid 89 and name CA )(resid 89 and name C  ) 1.0 -63.59 20.00 2
assign (resid 89 and name N  )(resid 89 and name CA )
       (resid 89 and name C  )(resid 90 and name N  ) 1.0 -42.10 20.00 2

! Resdiue N 90 DATABASE
assign (resid 89 and name C  )(resid 90 and name N  )
       (resid 90 and name CA )(resid 90 and name C  ) 1.0 -66.35 20.00 2
assign (resid 90 and name N  )(resid 90 and name CA )
       (resid 90 and name C  )(resid 91 and name N  ) 1.0 -40.72 20.00 2

! Resdiue A 91 DATABASE
assign (resid 90 and name C  )(resid 91 and name N  )
       (resid 91 and name CA )(resid 91 and name C  ) 1.0 -65.94 20.00 2
assign (resid 91 and name N  )(resid 91 and name CA )
       (resid 91 and name C  )(resid 92 and name N  ) 1.0 -38.32 20.00 2

! Resdiue V 92 DATABASE
assign (resid 91 and name C  )(resid 92 and name N  )
       (resid 92 and name CA )(resid 92 and name C  ) 1.0 -64.00 20.00 2
assign (resid 92 and name N  )(resid 92 and name CA )
       (resid 92 and name C  )(resid 93 and name N  ) 1.0 -45.00 26.00 2

! Resdiue V 93 DATABASE
assign (resid 92 and name C  )(resid 93 and name N  )
       (resid 93 and name CA )(resid 93 and name C  ) 1.0 -61.00 26.00 2
assign (resid 93 and name N  )(resid 93 and name CA )
       (resid 93 and name C  )(resid 94 and name N  ) 1.0 -35.00 24.00 2

! Resdiue A 94 DATABASE
assign (resid 93 and name C  )(resid 94 and name N  )
       (resid 94 and name CA )(resid 94 and name C  ) 1.0 -63.88 20.00 2
assign (resid 94 and name N  )(resid 94 and name CA )
       (resid 94 and name C  )(resid 95 and name N  ) 1.0 -39.78 20.00 2

! Resdiue K 95 DATABASE
assign (resid 94 and name C  )(resid 95 and name N  )
       (resid 95 and name CA )(resid 95 and name C  ) 1.0 -67.70 20.00 2
assign (resid 95 and name N  )(resid 95 and name CA )
       (resid 95 and name C  )(resid 96 and name N  ) 1.0 -38.60 20.00 2

! Resdiue F 96 DATABASE
assign (resid 95 and name C  )(resid 96 and name N  )
       (resid 96 and name CA )(resid 96 and name C  ) 1.0 -66.52 20.00 2
assign (resid 96 and name N  )(resid 96 and name CA )
       (resid 96 and name C  )(resid 97 and name N  ) 1.0 -41.33 20.00 2

! Resdiue Q 97 DATABASE
assign (resid 96 and name C  )(resid 97 and name N  )
       (resid 97 and name CA )(resid 97 and name C  ) 1.0 -68.08 20.00 2
assign (resid 97 and name N  )(resid 97 and name CA )
       (resid 97 and name C  )(resid 98 and name N  ) 1.0 -34.37 26.20 2

! Resdiue K 98 DATABASE
assign (resid 97 and name C  )(resid 98 and name N  )
       (resid 98 and name CA )(resid 98 and name C  ) 1.0 -64.92 20.00 2
assign (resid 98 and name N  )(resid 98 and name CA )
       (resid 98 and name C  )(resid 99 and name N  ) 1.0 -37.76 20.00 2

! Resdiue L 99 DATABASE
assign (resid 98 and name C  )(resid 99 and name N  )
       (resid 99 and name CA )(resid 99 and name C  ) 1.0 -66.31 20.00 2
assign (resid 99 and name N  )(resid 99 and name CA )
       (resid 99 and name C  )(resid 100 and name N  ) 1.0 -41.64 20.00 2

! Resdiue L 100 DATABASE
assign (resid 99 and name C  )(resid 100 and name N  )
       (resid 100 and name CA )(resid 100 and name C  ) 1.0 -62.03 20.00 2
assign (resid 100 and name N  )(resid 100 and name CA )
       (resid 100 and name C  )(resid 101 and name N  ) 1.0 -40.06 20.00 2

! Resdiue E 101 DATABASE
assign (resid 100 and name C  )(resid 101 and name N  )
       (resid 101 and name CA )(resid 101 and name C  ) 1.0 -66.65 20.00 2
assign (resid 101 and name N  )(resid 101 and name CA )
       (resid 101 and name C  )(resid 102 and name N  ) 1.0 -41.67 27.26 2

! Resdiue V 102 DATABASE
assign (resid 101 and name C  )(resid 102 and name N  )
       (resid 102 and name CA )(resid 102 and name C  ) 1.0 -63.55 20.00 2
assign (resid 102 and name N  )(resid 102 and name CA )
       (resid 102 and name C  )(resid 103 and name N  ) 1.0 -34.18 20.00 2

! Resdiue I 103 DATABASE
assign (resid 102 and name C  )(resid 103 and name N  )
       (resid 103 and name CA )(resid 103 and name C  ) 1.0 -72.95 22.68 2
assign (resid 103 and name N  )(resid 103 and name CA )
       (resid 103 and name C  )(resid 104 and name N  ) 1.0 -41.69 20.00 2

! Resdiue K 104 DATABASE
assign (resid 103 and name C  )(resid 104 and name N  )
       (resid 104 and name CA )(resid 104 and name C  ) 1.0 -63.71 20.00 2
assign (resid 104 and name N  )(resid 104 and name CA )
       (resid 104 and name C  )(resid 105 and name N  ) 1.0 -40.64 20.00 2

! Resdiue S 105 DATABASE
assign (resid 104 and name C  )(resid 105 and name N  )
       (resid 105 and name CA )(resid 105 and name C  ) 1.0 -85.00 44.00 2
assign (resid 105 and name N  )(resid 105 and name CA )
       (resid 105 and name C  )(resid 106 and name N  ) 1.0 -20.00 44.00 2

! Resdiue L 107 DATABASE
assign (resid 106 and name C  )(resid 107 and name N  )
       (resid 107 and name CA )(resid 107 and name C  ) 1.0 -113.00 44.00 2
assign (resid 107 and name N  )(resid 107 and name CA )
       (resid 107 and name C  )(resid 108 and name N  ) 1.0 138.00 30.00 2

! Resdiue K 108 DATABASE
assign (resid 107 and name C  )(resid 108 and name N  )
       (resid 108 and name CA )(resid 108 and name C  ) 1.0 -91.00 56.00 2
assign (resid 108 and name N  )(resid 108 and name CA )
       (resid 108 and name C  )(resid 109 and name N  ) 1.0 136.00 32.00 2

! Resdiue N 109 DATABASE
assign (resid 108 and name C  )(resid 109 and name N  )
       (resid 109 and name CA )(resid 109 and name C  ) 1.0 -87.00 56.00 2
assign (resid 109 and name N  )(resid 109 and name CA )
       (resid 109 and name C  )(resid 110 and name N  ) 1.0 119.00 58.00 2

! Resdiue P 110 DATABASE
assign (resid 109 and name C  )(resid 110 and name N  )
       (resid 110 and name CA )(resid 110 and name C  ) 1.0 -93.19 47.20 2
assign (resid 110 and name N  )(resid 110 and name CA )
       (resid 110 and name C  )(resid 111 and name N  ) 1.0 130.03 26.22 2

! Resdiue Q 111 DATABASE
assign (resid 110 and name C  )(resid 111 and name N  )
       (resid 111 and name CA )(resid 111 and name C  ) 1.0 -136.00 26.00 2
assign (resid 111 and name N  )(resid 111 and name CA )
       (resid 111 and name C  )(resid 112 and name N  ) 1.0 147.00 24.00 2

! Resdiue V 112 DATABASE
assign (resid 111 and name C  )(resid 112 and name N  )
       (resid 112 and name CA )(resid 112 and name C  ) 1.0 -110.62 33.74 2
assign (resid 112 and name N  )(resid 112 and name CA )
       (resid 112 and name C  )(resid 113 and name N  ) 1.0 120.71 27.86 2

! Resdiue Y 113 DATABASE
assign (resid 112 and name C  )(resid 113 and name N  )
       (resid 113 and name CA )(resid 113 and name C  ) 1.0 -106.34 26.66 2
assign (resid 113 and name N  )(resid 113 and name CA )
       (resid 113 and name C  )(resid 114 and name N  ) 1.0 142.02 23.28 2

! Resdiue R 114 DATABASE
assign (resid 113 and name C  )(resid 114 and name N  )
       (resid 114 and name CA )(resid 114 and name C  ) 1.0 -114.93 51.84 2
assign (resid 114 and name N  )(resid 114 and name CA )
       (resid 114 and name C  )(resid 115 and name N  ) 1.0 130.92 29.76 2

! Resdiue L 115 DATABASE
assign (resid 114 and name C  )(resid 115 and name N  )
       (resid 115 and name CA )(resid 115 and name C  ) 1.0 -105.35 24.76 2
assign (resid 115 and name N  )(resid 115 and name CA )
       (resid 115 and name C  )(resid 116 and name N  ) 1.0 131.78 20.00 2

! Resid G 116 --- strand CSI
assign (resid 115 and name C  )(resid 116 and name N )
       (resid 116 and name CA )(resid 116 and name C ) 1.0 -140.0 60.0 2
assign (resid 116 and name N  )(resid 116 and name CA )
       (resid 116 and name C  )(resid 117 and name N ) 1.0 130.0 90.0 2

! Resdiue E 117 DATABASE
assign (resid 116 and name C  )(resid 117 and name N  )
       (resid 117 and name CA )(resid 117 and name C  ) 1.0 -95.89 39.56 2
assign (resid 117 and name N  )(resid 117 and name CA )
       (resid 117 and name C  )(resid 118 and name N  ) 1.0 147.00 40.70 2

! Resid E 119 --- strand CSI
assign (resid 118 and name C  )(resid 119 and name N )
       (resid 119 and name CA )(resid 119 and name C ) 1.0 -140.0 60.0 2
assign (resid 119 and name N  )(resid 119 and name CA )
       (resid 119 and name C  )(resid 120 and name N ) 1.0 130.0 90.0 2

! Resdiue L 120 DATABASE
assign (resid 119 and name C  )(resid 120 and name N  )
       (resid 120 and name CA )(resid 120 and name C  ) 1.0 -96.62 24.72 2
assign (resid 120 and name N  )(resid 120 and name CA )
       (resid 120 and name C  )(resid 121 and name N  ) 1.0 133.67 38.06 2

! Resdiue D 121 DATABASE
assign (resid 120 and name C  )(resid 121 and name N  )
       (resid 121 and name CA )(resid 121 and name C  ) 1.0 -133.98 44.86 2
assign (resid 121 and name N  )(resid 121 and name CA )
       (resid 121 and name C  )(resid 122 and name N  ) 1.0 141.15 22.20 2

! Resdiue V 122 DATABASE
assign (resid 121 and name C  )(resid 122 and name N  )
       (resid 122 and name CA )(resid 122 and name C  ) 1.0 -109.46 37.22 2
assign (resid 122 and name N  )(resid 122 and name CA )
       (resid 122 and name C  )(resid 123 and name N  ) 1.0 130.72 21.20 2

! Resdiue Y 123 DATABASE
assign (resid 122 and name C  )(resid 123 and name N  )
       (resid 123 and name CA )(resid 123 and name C  ) 1.0 -121.00 44.00 2
assign (resid 123 and name N  )(resid 123 and name CA )
       (resid 123 and name C  )(resid 124 and name N  ) 1.0 128.00 32.00 2

! Resdiue V 124 DATABASE
assign (resid 123 and name C  )(resid 124 and name N  )
       (resid 124 and name CA )(resid 124 and name C  ) 1.0 -101.00 34.00 2
assign (resid 124 and name N  )(resid 124 and name CA )
       (resid 124 and name C  )(resid 125 and name N  ) 1.0 122.00 22.00 2

! Resdiue I 125 DATABASE
assign (resid 124 and name C  )(resid 125 and name N  )
       (resid 125 and name CA )(resid 125 and name C  ) 1.0 -114.00 26.00 2
assign (resid 125 and name N  )(resid 125 and name CA )
       (resid 125 and name C  )(resid 126 and name N  ) 1.0 138.00 32.00 2

! Resdiue G 126 DATABASE
assign (resid 125 and name C  )(resid 126 and name N  )
       (resid 126 and name CA )(resid 126 and name C  ) 1.0 -149.00 48.00 2
assign (resid 126 and name N  )(resid 126 and name CA )
       (resid 126 and name C  )(resid 127 and name N  ) 1.0 162.00 38.00 2

! Resdiue E 127 DATABASE
assign (resid 126 and name C  )(resid 127 and name N  )
       (resid 127 and name CA )(resid 127 and name C  ) 1.0 -117.37 35.68 2
assign (resid 127 and name N  )(resid 127 and name CA )
       (resid 127 and name C  )(resid 128 and name N  ) 1.0 134.09 34.26 2

! Resid T 128 --- strand CSI
assign (resid 127 and name C  )(resid 128 and name N )
       (resid 128 and name CA )(resid 128 and name C ) 1.0 -140.0 60.0 2
assign (resid 128 and name N  )(resid 128 and name CA )
       (resid 128 and name C  )(resid 129 and name N ) 1.0 130.0 90.0 2

! Resdiue P 129 DATABASE
assign (resid 128 and name C  )(resid 129 and name N  )
       (resid 129 and name CA )(resid 129 and name C  ) 1.0 -61.09 20.00 2
assign (resid 129 and name N  )(resid 129 and name CA )
       (resid 129 and name C  )(resid 130 and name N  ) 1.0 -17.88 20.00 2

! Resdiue A 130 DATABASE
assign (resid 129 and name C  )(resid 130 and name N  )
       (resid 130 and name CA )(resid 130 and name C  ) 1.0 -90.49 28.52 2
assign (resid 130 and name N  )(resid 130 and name CA )
       (resid 130 and name C  )(resid 131 and name N  ) 1.0  1.90 28.60 2

! Resid N 132 --- strand CSI
assign (resid 131 and name C  )(resid 132 and name N )
       (resid 132 and name CA )(resid 132 and name C ) 1.0 -140.0 60.0 2
assign (resid 132 and name N  )(resid 132 and name CA )
       (resid 132 and name C  )(resid 133 and name N ) 1.0 130.0 90.0 2

! Resid L 133 --- strand CSI
assign (resid 132 and name C  )(resid 133 and name N )
       (resid 133 and name CA )(resid 133 and name C ) 1.0 -140.0 60.0 2
assign (resid 133 and name N  )(resid 133 and name CA )
       (resid 133 and name C  )(resid 134 and name N ) 1.0 130.0 90.0 2

! Resid A 134 --- strand CSI
assign (resid 133 and name C  )(resid 134 and name N )
       (resid 134 and name CA )(resid 134 and name C ) 1.0 -140.0 60.0 2
assign (resid 134 and name N  )(resid 134 and name CA )
       (resid 134 and name C  )(resid 135 and name N ) 1.0 130.0 90.0 2

! Resid G 135 --- strand CSI
assign (resid 134 and name C  )(resid 135 and name N )
       (resid 135 and name CA )(resid 135 and name C ) 1.0 -140.0 60.0 2
assign (resid 135 and name N  )(resid 135 and name CA )
       (resid 135 and name C  )(resid 136 and name N ) 1.0 130.0 90.0 2

! Resdiue I 136 DATABASE
assign (resid 135 and name C  )(resid 136 and name N  )
       (resid 136 and name CA )(resid 136 and name C  ) 1.0 -129.00 46.00 2
assign (resid 136 and name N  )(resid 136 and name CA )
       (resid 136 and name C  )(resid 137 and name N  ) 1.0 145.00 46.00 2

! Resdiue S 137 DATABASE
assign (resid 136 and name C  )(resid 137 and name N  )
       (resid 137 and name CA )(resid 137 and name C  ) 1.0 -118.18 52.78 2
assign (resid 137 and name N  )(resid 137 and name CA )
       (resid 137 and name C  )(resid 138 and name N  ) 1.0 139.20 42.68 2

! Resdiue T 138 DATABASE
assign (resid 137 and name C  )(resid 138 and name N  )
       (resid 138 and name CA )(resid 138 and name C  ) 1.0 -111.98 47.30 2
assign (resid 138 and name N  )(resid 138 and name CA )
       (resid 138 and name C  )(resid 139 and name N  ) 1.0 129.35 32.52 2

! Resdiue K 139 DATABASE
assign (resid 138 and name C  )(resid 139 and name N  )
       (resid 139 and name CA )(resid 139 and name C  ) 1.0 -105.20 46.76 2
assign (resid 139 and name N  )(resid 139 and name CA )
       (resid 139 and name C  )(resid 140 and name N  ) 1.0 141.27 25.88 2

! Resdiue V 140 DATABASE
assign (resid 139 and name C  )(resid 140 and name N  )
       (resid 140 and name CA )(resid 140 and name C  ) 1.0 -143.16 31.42 2
assign (resid 140 and name N  )(resid 140 and name CA )
       (resid 140 and name C  )(resid 141 and name N  ) 1.0 142.63 45.74 2

! Resdiue V 141 DATABASE
assign (resid 140 and name C  )(resid 141 and name N  )
       (resid 141 and name CA )(resid 141 and name C  ) 1.0 -109.16 36.02 2
assign (resid 141 and name N  )(resid 141 and name CA )
       (resid 141 and name C  )(resid 142 and name N  ) 1.0 125.39 27.24 2

! Resdiue E 142 DATABASE
assign (resid 141 and name C  )(resid 142 and name N  )
       (resid 142 and name CA )(resid 142 and name C  ) 1.0 -114.00 34.00 2
assign (resid 142 and name N  )(resid 142 and name CA )
       (resid 142 and name C  )(resid 143 and name N  ) 1.0 130.00 32.00 2





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