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 subtype
573154 2mh5 19619 cing 1-original 3 XPLOR/CNS distance PRE


! The following coordinates for the ANI pseudo atoms define an alignment frame
! that is important to the interpretation of some of the constraint data (RDCs). 
! However, according to PDB policy these coordinates are not included in the PDB file. 

! from here on contraints derived by PREs from atoms to the micelle center (introduced as pseudoatom X res ANI 100)
! Each model's ANI - one per model
!HETATM  282  X   ANI A 100       0.658  -1.728 -12.395  1.00 25.00           X
!HETATM 4530  X   ANI A 100      -3.144  -5.979 -10.420  1.00 25.00           X
!HETATM 8778  X   ANI A 100      -5.421  -8.439   3.294  1.00 25.00           X
!HETATM13026  X   ANI A 100       2.242   5.163 -13.644  1.00 25.00           X
!HETATM17274  X   ANI A 100      -4.928  -5.530   6.243  1.00 25.00           X
!HETATM21522  X   ANI A 100     -10.189 -12.240   1.684  1.00 25.00           X
!HETATM25770  X   ANI A 100      -3.620  -3.494 -15.010  1.00 25.00           X
!HETATM30018  X   ANI A 100      -9.734 -11.513  -0.407  1.00 25.00           X
!HETATM34266  X   ANI A 100      -6.829 -10.165  -6.194  1.00 25.00           X
!HETATM38514  X   ANI A 100      -0.601  -3.346  -5.042  1.00 25.00           X
!HETATM42762  X   ANI A 100      -0.327  -3.275   0.567  1.00 25.00           X
!HETATM47010  X   ANI A 100      -9.632 -11.160  -0.310  1.00 25.00           X
!HETATM51258  X   ANI A 100      -2.049  -5.644   0.467  1.00 25.00           X
!HETATM55506  X   ANI A 100      -9.965 -12.059  -1.858  1.00 25.00           X
!HETATM59754  X   ANI A 100      -1.455  -5.645   0.303  1.00 25.00           X
!HETATM64002  X   ANI A 100      -6.958 -10.464  -6.829  1.00 25.00           X
!HETATM68250  X   ANI A 100     -20.780   2.127  17.638  1.00 25.00           X
!HETATM72498  X   ANI A 100      -9.605 -11.537  -8.639  1.00 25.00           X
!HETATM76746  X   ANI A 100      -0.327  -3.276   0.567  1.00 25.00           X
!HETATM80994  X   ANI A 100      -2.063  -4.758   1.872  1.00 25.00           X


assi (resi    1 and name    HA) (resi  100 and name     X) 21.98 1.00  1.00 ! UPL+ LOL
assi (resi    2 and name    HB) (resi  100 and name     X) 20.96 1.00  1.00 ! UPL+ LOL
assi (resi    2 and name   HG#) (resi  100 and name     X) 20.01 1.00  1.00 ! UPL+ LOL
assi (resi    4 and name   HB#) (resi  100 and name     X) 18.10 1.00  1.00 ! UPL+ LOL
assi (resi    5 and name   HB#) (resi  100 and name     X) 17.70 1.50  1.50 ! UPL+ LOL 
assi (resi    6 and name    HA) (resi  100 and name     X) 19.15 1.00  1.00 ! UPL+ LOL
assi (resi    6 and name   HB#) (resi  100 and name     X) 17.35 1.50  1.50 ! UPL+ LOL 
assi (resi    9 and name    HA) (resi  100 and name     X) 22.65 1.00  1.00 ! UPL+ LOL
assi (resi    9 and name   HD#) (resi  100 and name     X) 21.36 1.50  1.50 ! UPL+ LOL 
assi (resi   11 and name    HA) (resi  100 and name     X) 22.33 1.00  1.00 ! UPL+ LOL
assi (resi   11 and name   HB#) (resi  100 and name     X) 22.42 1.50  1.50 ! UPL+ LOL 
! from here on pure lol (outside micelle)
assi (resi   12 and name    HB) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   17 and name   HA#) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   20 and name    HA) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   20 and name   HB#) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   21 and name    HA) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   21 and name   HB#) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   22 and name    HA) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   22 and name   HB#) (resi  100 and name     X) 22.23 0.00 99.00 ! lol 
assi (resi   22 and name   HD#) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   23 and name    HA) (resi  100 and name     X) 22.30 0.00 99.00 ! lol 
assi (resi   23 and name   HB#) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   24 and name    HA) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 
assi (resi   24 and name   HB#) (resi  100 and name     X) 22.60 0.00 99.00 ! lol 





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