NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
522195 |
2lgi   |
17810 | cing | 1-original | 11 | XPLOR/CNS | dihedral angle |
!## DIHEs
set message=off echo=off end
!!
!! TaLOS, only good + positive phi for bad residues
! 1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)
assign (resid 1 and name C) (resid 2 and name N)
(resid 2 and name CA) (resid 2 and name C) 1.0 -109.00 34.00 2
! 2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)
assign (resid 2 and name C) (resid 3 and name N)
(resid 3 and name CA) (resid 3 and name C) 1.0 -130.00 14.00 2
! 3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)
assign (resid 3 and name C) (resid 4 and name N)
(resid 4 and name CA) (resid 4 and name C) 1.0 -137.00 17.00 2
! 4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)
assign (resid 4 and name C) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name C) 1.0 -115.00 16.00 2
! 5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)
assign (resid 5 and name C) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name C) 1.0 -108.00 6.00 2
! 6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)
assign (resid 6 and name C) (resid 7 and name N)
(resid 7 and name CA) (resid 7 and name C) 1.0 -103.00 9.00 2
! 7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
! 9 out of 10 good hits; beware
assign (resid 7 and name C) (resid 8 and name N)
(resid 8 and name CA) (resid 8 and name C) 1.0 -100.00 34.00 2
!! 9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -90.0 75.0 2
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -90.0 75.0 2
! 8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
!9 out of 10 good hits; beware
assign (resid 10 and name C) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name C) 1.0 -94.00 34.0 2
! 9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)
assign (resid 11 and name C) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name C) 1.0 -113.00 25.00 2
! 10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)
assign (resid 12 and name C) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name C) 1.0 -134.00 10.00 2
! 12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1.0 -129.00 24.00 2
! 13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)
assign (resid 15 and name C) (resid 16 and name N)
(resid 16 and name CA) (resid 16 and name C) 1.0 -125.00 21.00 2
! 14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -134.00 10.00 2
! 15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1.0 -130.00 25.00 2
! 16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)
assign (resid 18 and name C) (resid 19 and name N)
(resid 19 and name CA) (resid 19 and name C) 1.0 -117.00 20.00 2
! 17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)
assign (resid 19 and name C) (resid 20 and name N)
(resid 20 and name CA) (resid 20 and name C) 1.0 -124.00 28.00 2
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -90.0 75.0 2
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -90.0 75.0 2
! 18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)
assign (resid 22 and name C) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1.0 -63.00 20.00 2
! 19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)
assign (resid 23 and name C) (resid 24 and name N)
(resid 24 and name CA) (resid 24 and name C) 1.0 -65.00 24.00 2 !changed 07/22/09
! 20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)
assign (resid 24 and name C) (resid 25 and name N)
(resid 25 and name CA) (resid 25 and name C) 1.0 -66.00 18.00 2
! 21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)
assign (resid 25 and name C) (resid 26 and name N)
(resid 26 and name CA) (resid 26 and name C) 1.0 -62.00 10.00 2
! 22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)
assign (resid 26 and name C) (resid 27 and name N)
(resid 27 and name CA) (resid 27 and name C) 1.0 -66.00 16.00 2 !changed 07/22/09
! 23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)
assign (resid 27 and name C) (resid 28 and name N)
(resid 28 and name CA) (resid 28 and name C) 1.0 -65.00 10.00 2
! 24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)
assign (resid 28 and name C) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1.0 -64.00 5.00 2 !min error bar 5 deg.
! 25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)
assign (resid 29 and name C) (resid 30 and name N)
(resid 30 and name CA) (resid 30 and name C) 1.0 -67.00 5.00 2 !min error bar 5 deg.
! 26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1.0 -66.00 7.00 2
! 27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -66.00 7.00 2
! 28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)
assign (resid 32 and name C) (resid 33 and name N)
(resid 33 and name CA) (resid 33 and name C) 1.0 -67.00 5.00 2
! 29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -66.00 5.00 2
! 30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1.0 -64.00 7.00 2
! 31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)
assign (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1.0 -61.00 5.00 2
! 32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
!9 out of 10 hits, beware
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -105.00 32.0 2 !double error 16.00 2
! 33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
!8 out of 10 hits, beware !remove
assign (resid 37 and name C) (resid 38 and name N)
(resid 38 and name CA) (resid 38 and name C) 1.0 83.00 21.00 2
! 34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)
assign (resid 38 and name C) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1.0 -101.00 40.00 2 !changed 07/22/09
! 35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -98.00 37.00 2
!061107 insert G41 -180?51
!8 out of 10 hits, beware
assign (resid 40 and name C) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1.0 -180.00 51.00 2
! 36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 -98.00 22.00 2
! 37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
! 9 out of 10 hits, beware
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -122.00 32.00 2 ! double error 16.00 2
! 38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -133.00 23.00 2
! 39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
!9 out of 10, beware
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -123.00 29.0 2
! 40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1.0 -105.00 18.00 2
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -90.0 75.0 2
! 41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -66.00 13.00 2
! 42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)
assign (resid 48 and name C) (resid 49 and name N)
(resid 49 and name CA) (resid 49 and name C) 1.0 -110.00 36 2 !061407 9.00 2
!K50, 5 out of 10, 58?4
! 43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
! 9 out of 10, beware
assign (resid 50 and name C) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1.0 -105.00 86.00 2
! 44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)
assign (resid 51 and name C) (resid 52 and name N)
(resid 52 and name CA) (resid 52 and name C) 1.0 -121.00 13.00 2
! 45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
! 9 out of 10, beware
assign (resid 52 and name C) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1.0 -133.00 22.00 2
! 46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -131.00 16.00 2
! 47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -110.00 48.00 2
!!!!!!!!!!!!!
! 48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)
assign (resid 2 and name N) (resid 2 and name CA)
(resid 2 and name C) (resid 3 and name N) 1.0 136.00 13.00 2
! 49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)
assign (resid 3 and name N) (resid 3 and name CA)
(resid 3 and name C) (resid 4 and name N) 1.0 153.00 15.00 2
! 50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)
assign (resid 4 and name N) (resid 4 and name CA)
(resid 4 and name C) (resid 5 and name N) 1.0 136.00 7.00 2
! 51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)
assign (resid 5 and name N) (resid 5 and name CA)
(resid 5 and name C) (resid 6 and name N) 1.0 122.00 16.00 2
! 52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)
assign (resid 6 and name N) (resid 6 and name CA)
(resid 6 and name C) (resid 7 and name N) 1.0 120.00 12.00 2
! 53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)
assign (resid 7 and name N) (resid 7 and name CA)
(resid 7 and name C) (resid 8 and name N) 1.0 119.00 11.00 2
! 54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
!beware, 9 out of 10
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name c) (resid 9 and name n) 1.0 52.0 143.0 2
!!10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 52.0 143.0 2
! 55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
!beware, 9 out of 10
assign (resid 11 and name N) (resid 11 and name CA)
(resid 11 and name C) (resid 12 and name N) 1.0 -6.00 28.0 2 ! 14.00 2
! 56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)
assign (resid 12 and name N) (resid 12 and name CA)
(resid 12 and name C) (resid 13 and name N) 1.0 124.00 27.00 2
! 57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)
assign (resid 13 and name N) (resid 13 and name CA)
(resid 13 and name C) (resid 14 and name N) 1.0 156.00 16.00 2
! 59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)
assign (resid 15 and name N) (resid 15 and name CA)
(resid 15 and name C) (resid 16 and name N) 1.0 151.00 12.00 2
! 60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)
assign (resid 16 and name N) (resid 16 and name CA)
(resid 16 and name C) (resid 17 and name N) 1.0 153.00 23.00 2
! 61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)
assign (resid 17 and name N) (resid 17 and name CA)
(resid 17 and name C) (resid 18 and name N) 1.0 152.00 20.00 2
! 62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)
assign (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name C) (resid 19 and name N) 1.0 137.00 14.00 2
! 63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)
assign (resid 19 and name N) (resid 19 and name CA)
(resid 19 and name C) (resid 20 and name N) 1.0 122.00 16.00 2
! 64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)
assign (resid 20 and name N) (resid 20 and name CA)
(resid 20 and name C) (resid 21 and name N) 1.0 160.00 16.00 2
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 52.0 143.0 2
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name c) (resid 23 and name n) 1.0 52.0 143.0 2
! 65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)
assign (resid 23 and name N) (resid 23 and name CA)
(resid 23 and name C) (resid 24 and name N) 1.0 -35.00 22.00 2
! 66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)
assign (resid 24 and name N) (resid 24 and name CA)
(resid 24 and name C) (resid 25 and name N) 1.0 -38.00 14.00 2
! 67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)
assign (resid 25 and name N) (resid 25 and name CA)
(resid 25 and name C) (resid 26 and name N) 1.0 -38.00 16.00 2
! 68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)
assign (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name C) (resid 27 and name N) 1.0 -41.00 10.0 2 !min. 5 deg. error
! 69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
assign (resid 27 and name N) (resid 27 and name CA)
(resid 27 and name C) (resid 28 and name N) 1.0 -37.00 17.00 2
! 70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)
assign (resid 28 and name N) (resid 28 and name CA)
(resid 28 and name C) (resid 29 and name N) 1.0 -41.00 10.0 2 ! doubled
! 71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)
assign (resid 29 and name N) (resid 29 and name CA)
(resid 29 and name C) (resid 30 and name N) 1.0 -46.00 5.0 2 !min 5 deg. error
! 72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)
assign (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name C) (resid 31 and name N) 1.0 -35.00 7.00 2
! 73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name C) (resid 32 and name N) 1.0 -41.00 10.00 2
! 74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)
assign (resid 32 and name N) (resid 32 and name CA)
(resid 32 and name C) (resid 33 and name N) 1.0 -43.00 9.00 2
! 75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)
assign (resid 33 and name N) (resid 33 and name CA)
(resid 33 and name C) (resid 34 and name N) 1.0 -37.00 18.00 2 !changed 07/22/09
! 76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)
assign (resid 34 and name N) (resid 34 and name CA)
(resid 34 and name C) (resid 35 and name N) 1.0 -42.00 5.0 2 !min 5 deg. error
! 77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name C) (resid 36 and name N) 1.0 -37.00 11.00 2
! 78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)
assign (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name C) (resid 37 and name N) 1.0 -31.00 16.00 2 !08/03/09
! 79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
!beware, 9 out of 10
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name C) (resid 38 and name N) 1.0 8.00 32.0 2 !double 16.00 2
! 80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
!beware, 8 out of 10
assign (resid 38 and name N) (resid 38 and name CA)
(resid 38 and name C) (resid 39 and name N) 1.0 28.00 18.00 2! !changed 07/22/09 ! 08/03/09
! 81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)
assign (resid 39 and name N) (resid 39 and name CA)
(resid 39 and name C) (resid 40 and name N) 1.0 125.00 15.00 2
! 82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name C) (resid 41 and name N) 1.0 139.00 28.00 2
!061107 insert G41 -173?14
!8 out of 10 hits, beware
assign (resid 41 and name N) (resid 41 and name CA)
(resid 41 and name C) (resid 42 and name N) 1.0 -173.00 38.00 2 !changed 07/22/09
! 83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name C) (resid 43 and name N) 1.0 133.00 16.00 2
! 84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
!beware, 9 out of 10
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name C) (resid 44 and name N) 1.0 160.00 20.0 2 !double 10.00 2
! 85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)
assign (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name C) (resid 45 and name N) 1.0 152.00 17.00 2
! 86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
!9 out of 10, beware
assign (resid 45 and name N) (resid 45 and name CA)
(resid 45 and name C) (resid 46 and name N) 1.0 126.00 48.0 2 !double 24.00 2
! 87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name C) (resid 47 and name N) 1.0 140.00 26.00 2
! 88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name C) (resid 49 and name N) 1.0 -21.00 15.00 2
! 89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)
assign (resid 49 and name N) (resid 49 and name CA)
(resid 49 and name C) (resid 50 and name N) 1.0 10.00 26.00 2 ! doubled
!K50 psi 37?12, but 5 out of 10 bad
! 90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
! 9 out of 10, beware
assign (resid 51 and name N) (resid 51 and name CA)
(resid 51 and name C) (resid 52 and name N) 1.0 134.00 32.00 2 ! double error bars 16.00 2
! 91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)
assign (resid 52 and name N) (resid 52 and name CA)
(resid 52 and name C) (resid 53 and name N) 1.0 150.00 16.00 2
! 92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
! 9 out of 10, beware
assign (resid 53 and name N) (resid 53 and name CA)
(resid 53 and name C) (resid 54 and name N) 1.0 144.00 34.00 2 ! double error bars 17.00 2
! 93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name C) (resid 55 and name N) 1.0 139.00 14.00 2
! 94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name C) (resid 56 and name N) 1.0 128.00 24.00 2 !doubled
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