NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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625941 |
6cfb   |
30409 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!!!! DIHEDRALS
! 5 c -81.508 123.843 11.225 8.906 0.597 0.851 25 13 Strong
assign (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA ) (resid 5 and name C ) 1.0 -81.5 22.4 2
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name C ) (resid 6 and name N ) 1.0 123.8 20.0 2
! 6 F -110.401 133.735 12.295 7.262 0.544 0.890 25 15 Strong
assign (resid 5 and name C ) (resid 6 and name N )
(resid 6 and name CA ) (resid 6 and name C ) 1.0 -110.4 24.6 2
assign (resid 6 and name N ) (resid 6 and name CA )
(resid 6 and name C ) (resid 7 and name N ) 1.0 133.7 20.0 2
! 7 c -132.570 149.658 8.120 8.509 0.528 0.907 25 15 Strong
assign (resid 6 and name C ) (resid 7 and name N )
(resid 7 and name CA ) (resid 7 and name C ) 1.0 -132.6 20.0 2
assign (resid 7 and name N ) (resid 7 and name CA )
(resid 7 and name C ) (resid 8 and name N ) 1.0 149.7 20.0 2
! 8 V -124.045 134.727 11.386 10.842 0.462 0.867 25 15 Strong
assign (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA ) (resid 8 and name C ) 1.0 -124.0 22.8 2
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C ) (resid 9 and name N ) 1.0 134.7 21.7 2
! 9 E -101.055 132.697 22.063 13.168 0.325 0.847 25 15 Strong
assign (resid 8 and name C ) (resid 9 and name N )
(resid 9 and name CA ) (resid 9 and name C ) 1.0 -101.1 44.1 2
assign (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C ) (resid 10 and name N ) 1.0 132.7 26.3 2
! 10 D -77.747 121.619 13.358 9.883 0.258 0.837 25 15 Strong
assign (resid 9 and name C ) (resid 10 and name N )
(resid 10 and name CA ) (resid 10 and name C ) 1.0 -77.7 26.7 2
assign (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name C ) (resid 11 and name N ) 1.0 121.6 20.0 2
! 11 E -69.340 -25.564 7.947 11.647 0.190 0.833 25 15 Strong
assign (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA ) (resid 11 and name C ) 1.0 -69.3 20.0 2
assign (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C ) (resid 12 and name N ) 1.0 -25.6 23.3 2
! 12 T -77.073 -35.101 9.030 10.245 0.159 0.762 25 15 Strong
assign (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA ) (resid 12 and name C ) 1.0 -77.1 20.0 2
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C ) (resid 13 and name N ) 1.0 -35.1 20.5 2
! 13 S -108.676 -22.736 14.211 9.997 0.152 0.603 25 14 Strong
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA ) (resid 13 and name C ) 1.0 -108.7 28.4 2
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C ) (resid 14 and name N ) 1.0 -22.7 20.0 2
! 16 K -82.837 123.441 8.544 8.705 0.256 0.746 25 15 Strong
assign (resid 15 and name C ) (resid 16 and name N )
(resid 16 and name CA ) (resid 16 and name C ) 1.0 -82.8 20.0 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 123.4 20.0 2
! 17 T -117.247 131.127 11.454 8.087 0.394 0.831 25 15 Strong
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -117.2 22.9 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 131.1 20.0 2
! 18 c -131.666 148.407 9.240 13.063 0.496 0.884 25 15 Strong
assign (resid 17 and name C ) (resid 18 and name N )
(resid 18 and name CA ) (resid 18 and name C ) 1.0 -131.7 20.0 2
assign (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name C ) (resid 19 and name N ) 1.0 148.4 26.1 2
! 19 V -126.912 134.516 15.829 23.140 1.041 0.848 25 13 Strong
assign (resid 18 and name C ) (resid 19 and name N )
(resid 19 and name CA ) (resid 19 and name C ) 1.0 -126.9 31.7 2
assign (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name C ) (resid 20 and name N ) 1.0 134.5 46.3 2
! 20 P -67.762 148.551 5.064 10.870 1.085 0.828 25 13 Strong
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -67.8 20.0 2
assign (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C ) (resid 21 and name N ) 1.0 148.6 21.7 2
! 21 D -77.271 -21.904 19.782 13.560 1.128 0.834 25 13 Strong
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -77.3 39.6 2
!assign (resid 21 and name N ) (resid 21 and name CA )
! (resid 21 and name C ) (resid 22 and name N ) 1.0 -21.9 27.1 2
! 22 N 44.905 31.555 40.643 22.327 1.410 0.866 25 15 Generous
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 44.9 50.0 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 31.6 67.0 2
! 23 c -93.261 120.776 28.033 48.978 1.825 0.884 10 14 Generous
!assign (resid 22 and name C ) (resid 23 and name N )
! (resid 23 and name CA ) (resid 23 and name C ) 1.0 -93.3 84.1 2
!assign (resid 23 and name N ) (resid 23 and name CA )
! (resid 23 and name C ) (resid 24 and name N ) 1.0 120.8 105.0 2
! 24 D -75.926 125.110 12.474 23.098 1.251 0.791 25 13 Strong
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -75.9 24.9 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 125.1 46.2 2
!CHI1
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name CB ) (resid 5 and name SG ) 1.0 180.0 30.0 2
assign (resid 7 and name N ) (resid 7 and name CA )
(resid 7 and name CB ) (resid 7 and name SG ) 1.0 -60.0 30.0 2
assign (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name CB ) (resid 18 and name SG ) 1.0 -60.0 30.0 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name CB ) (resid 23 and name SG ) 1.0 60.0 30.0 2
!!Chi1
assign (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name CB ) (resid 10 and name CG ) 1.0 180.0 30.0 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name CB ) (resid 21 and name CG ) 1.0 180.0 30.0 2
!Based on TALOS+N
assign (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name CB ) (resid 8 and name CG ) 1.0 180.0 30.0 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name CB ) (resid 17 and name CG ) 1.0 -60.0 30.0 2
assign (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name CB ) (resid 19 and name CG ) 1.0 180.0 30.0 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name CB ) (resid 22 and name CG ) 1.0 -60.0 30.0 2
!Based on NOE patterns
assign (resid 1 and name C ) (resid 2 and name N )
(resid 2 and name CA ) (resid 2 and name C ) 1.0 -100.0 80.0 2
assign (resid 2 and name C ) (resid 3 and name N )
(resid 3 and name CA ) (resid 3 and name C ) 1.0 -100.0 80.0 2
assign (resid 2 and name C ) (resid 3 and name N )
(resid 3 and name CA ) (resid 3 and name C ) 1.0 -100.0 80.0 2
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -100.0 80.0 2
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -100.0 80.0 2
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -100.0 80.0 2
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