NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
646026 |
6tph   |
34465 | cing | 1-original | 1 | XPLOR/CNS | unknown |
# Restraints file 1: unambig_final.tbl
! Unambiguous restraint list for the DUM restraints to
! keep the DUM atoms in place during all stages of docking!
!
! All restraints are based on two-tag selection to NAO atom
!
! + ssNMR restraint to keep 26mer structure intact during the full flexible MD steps
! are in BMRB Entry 25534/ pdb id 2N0R
! citation: Marchanka, A., Simon, B., Althoff-Ospelt, G., Carlomagno, T.
"RNA structure determination by solid-state NMR spectroscopy" Nat. Commun. 6, 7024-7024 (2015)
!
! K32C restraints form folder "clusters_2019-05-22-13-04-18"
!
! DUM fixing restraints !!
!
assign (segid A and resid 127 and name DUM ) (segid A and resid 18 and name CA ) 28.0 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 18 and name CA ) 28.3 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 19 and name CA ) 26.0 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 19 and name CA ) 25.9 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 20 and name CA ) 22.9 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 20 and name CA ) 23.4 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 21 and name CA ) 23.1 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 21 and name CA ) 23.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 22 and name CA ) 22.8 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 22 and name CA ) 22.2 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 23 and name CA ) 20.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 23 and name CA ) 19.7 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 24 and name CA ) 17.9 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 24 and name CA ) 17.9 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 25 and name CA ) 19.3 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 25 and name CA ) 18.3 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 26 and name CA ) 18.4 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 26 and name CA ) 16.5 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 33 and name CA ) 10.5 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 33 and name CA ) 12.1 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 34 and name CA ) 10.9 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 34 and name CA ) 14.1 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 40 and name CA ) 14.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 40 and name CA ) 18.8 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 41 and name CA ) 15.7 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 41 and name CA ) 21.1 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 42 and name CA ) 12.7 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 42 and name CA ) 18.5 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 43 and name CA ) 10.9 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 43 and name CA ) 16.1 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 44 and name CA ) 14.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 44 and name CA ) 19.1 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 52 and name CA ) 17.4 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 52 and name CA ) 20.3 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 53 and name CA ) 20.0 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 53 and name CA ) 22.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 63 and name CA ) 25.7 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 63 and name CA ) 30.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 64 and name CA ) 24.0 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 64 and name CA ) 28.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 65 and name CA ) 26.5 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 65 and name CA ) 31.2 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 66 and name CA ) 24.1 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 66 and name CA ) 29.2 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 67 and name CA ) 21.6 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 67 and name CA ) 26.2 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 68 and name CA ) 24.4 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 68 and name CA ) 28.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 69 and name CA ) 25.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 69 and name CA ) 29.8 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 70 and name CA ) 21.6 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 70 and name CA ) 26.5 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 71 and name CA ) 20.8 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 71 and name CA ) 25.0 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 72 and name CA ) 23.6 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 72 and name CA ) 27.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 79 and name CA ) 23.9 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 79 and name CA ) 26.2 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 80 and name CA ) 25.7 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 80 and name CA ) 28.1 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 86 and name CA ) 26.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 86 and name CA ) 27.5 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 87 and name CA ) 22.7 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 87 and name CA ) 24.3 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 88 and name CA ) 21.8 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 88 and name CA ) 23.6 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 89 and name CA ) 23.1 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 89 and name CA ) 24.0 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 101 and name CA ) 14.0 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 101 and name CA ) 17.0 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 102 and name CA ) 12.9 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 102 and name CA ) 14.7 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 103 and name CA ) 9.4 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 103 and name CA ) 11.5 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 110 and name CA ) 21.7 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 110 and name CA ) 19.8 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 111 and name CA ) 22.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 111 and name CA ) 21.0 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 112 and name CA ) 19.5 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 112 and name CA ) 19.2 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 113 and name CA ) 21.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 113 and name CA ) 20.8 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 114 and name CA ) 24.8 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 114 and name CA ) 24.3 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 115 and name CA ) 24.2 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 115 and name CA ) 24.5 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 116 and name CA ) 23.1 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 116 and name CA ) 24.0 0.0 0.0
assign (segid A and resid 127 and name DUM ) (segid A and resid 117 and name CA ) 26.4 0.0 0.0
assign (segid A and resid 128 and name DUM ) (segid A and resid 117 and name CA ) 27.1 0.0 0.0
!
! N38C restraints
! Source is in folder:"clusters_2019-05-22-12-43-05"
!
! DUM fixing restraints !!
!
assign (segid A and resid 129 and name DUM ) (segid A and resid 18 and name CA ) 30.7 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 18 and name CA ) 29.7 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 19 and name CA ) 30.7 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 19 and name CA ) 30.4 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 20 and name CA ) 27.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 20 and name CA ) 26.8 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 21 and name CA ) 26.8 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 21 and name CA ) 26.0 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 22 and name CA ) 29.2 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 22 and name CA ) 28.8 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 23 and name CA ) 27.8 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 23 and name CA ) 28.0 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 24 and name CA ) 25.1 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 24 and name CA ) 25.2 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 25 and name CA ) 27.7 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 25 and name CA ) 27.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 26 and name CA ) 29.5 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 26 and name CA ) 29.9 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 33 and name CA ) 20.1 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 33 and name CA ) 21.2 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 34 and name CA ) 16.6 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 34 and name CA ) 17.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 40 and name CA ) 12.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 40 and name CA ) 13.3 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 41 and name CA ) 9.4 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 41 and name CA ) 11.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 42 and name CA ) 9.3 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 42 and name CA ) 12.6 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 43 and name CA ) 13.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 43 and name CA ) 15.9 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 44 and name CA ) 13.4 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 44 and name CA ) 16.4 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 52 and name CA ) 18.5 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 52 and name CA ) 19.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 53 and name CA ) 19.6 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 53 and name CA ) 19.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 63 and name CA ) 12.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 63 and name CA ) 9.2 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 64 and name CA ) 13.1 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 64 and name CA ) 11.6 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 65 and name CA ) 14.5 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 65 and name CA ) 13.4 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 66 and name CA ) 12.2 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 66 and name CA ) 12.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 67 and name CA ) 13.5 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 67 and name CA ) 14.3 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 68 and name CA ) 17.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 68 and name CA ) 17.6 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 69 and name CA ) 16.4 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 69 and name CA ) 17.8 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 70 and name CA ) 14.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 70 and name CA ) 16.2 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 71 and name CA ) 16.9 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 71 and name CA ) 19.0 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 72 and name CA ) 19.6 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 72 and name CA ) 22.0 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 79 and name CA ) 22.9 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 79 and name CA ) 23.0 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 80 and name CA ) 23.1 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 80 and name CA ) 22.3 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 86 and name CA ) 25.9 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 86 and name CA ) 23.6 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 87 and name CA ) 22.9 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 87 and name CA ) 21.2 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 88 and name CA ) 21.8 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 88 and name CA ) 19.9 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 89 and name CA ) 25.4 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 89 and name CA ) 23.4 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 101 and name CA ) 17.2 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 101 and name CA ) 18.3 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 102 and name CA ) 20.4 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 102 and name CA ) 21.8 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 103 and name CA ) 20.1 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 103 and name CA ) 22.3 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 110 and name CA ) 33.0 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 110 and name CA ) 34.5 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 111 and name CA ) 31.6 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 111 and name CA ) 32.6 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 112 and name CA ) 28.1 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 112 and name CA ) 29.3 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 113 and name CA ) 29.9 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 113 and name CA ) 31.6 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 114 and name CA ) 32.2 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 114 and name CA ) 33.4 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 115 and name CA ) 29.6 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 115 and name CA ) 30.4 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 116 and name CA ) 27.7 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 116 and name CA ) 29.1 0.0 0.0
assign (segid A and resid 129 and name DUM ) (segid A and resid 117 and name CA ) 30.8 0.0 0.0
assign (segid A and resid 130 and name DUM ) (segid A and resid 117 and name CA ) 32.2 0.0 0.0
!
!
! I93C restraints
! Source is in folder:"clusters_2019-05-22-12-17-12"
!
! DUM fixing restraints !!
!
!
assign (segid A and resid 131 and name DUM ) (segid A and resid 18 and name CA ) 24.1 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 18 and name CA ) 23.8 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 19 and name CA ) 24.3 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 19 and name CA ) 24.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 20 and name CA ) 21.9 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 20 and name CA ) 22.0 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 21 and name CA ) 19.3 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 21 and name CA ) 19.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 22 and name CA ) 19.1 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 22 and name CA ) 18.9 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 23 and name CA ) 19.6 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 23 and name CA ) 19.8 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 24 and name CA ) 15.9 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 24 and name CA ) 16.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 25 and name CA ) 14.8 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 25 and name CA ) 14.7 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 26 and name CA ) 16.8 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 26 and name CA ) 16.9 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 33 and name CA ) 12.7 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 33 and name CA ) 14.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 34 and name CA ) 12.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 34 and name CA ) 13.6 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 40 and name CA ) 17.2 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 40 and name CA ) 18.7 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 41 and name CA ) 20.3 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 41 and name CA ) 22.0 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 42 and name CA ) 19.8 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 42 and name CA ) 21.7 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 43 and name CA ) 19.3 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 43 and name CA ) 21.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 44 and name CA ) 22.7 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 44 and name CA ) 24.4 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 52 and name CA ) 20.8 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 52 and name CA ) 21.8 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 53 and name CA ) 20.2 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 53 and name CA ) 20.9 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 63 and name CA ) 23.6 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 63 and name CA ) 24.6 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 64 and name CA ) 23.2 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 64 and name CA ) 24.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 65 and name CA ) 27.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 65 and name CA ) 28.0 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 66 and name CA ) 26.9 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 66 and name CA ) 28.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 67 and name CA ) 25.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 67 and name CA ) 26.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 68 and name CA ) 28.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 68 and name CA ) 29.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 69 and name CA ) 30.4 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 69 and name CA ) 31.7 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 70 and name CA ) 28.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 70 and name CA ) 29.5 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 71 and name CA ) 27.7 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 71 and name CA ) 29.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 72 and name CA ) 31.4 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 72 and name CA ) 32.8 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 79 and name CA ) 25.2 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 79 and name CA ) 25.7 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 80 and name CA ) 24.5 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 80 and name CA ) 24.8 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 86 and name CA ) 17.3 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 86 and name CA ) 16.6 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 87 and name CA ) 15.6 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 87 and name CA ) 15.4 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 88 and name CA ) 12.4 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 88 and name CA ) 12.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 89 and name CA ) 12.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 89 and name CA ) 11.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 101 and name CA ) 17.1 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 101 and name CA ) 18.4 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 102 and name CA ) 17.5 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 102 and name CA ) 18.7 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 103 and name CA ) 17.7 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 103 and name CA ) 19.3 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 110 and name CA ) 27.0 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 110 and name CA ) 27.6 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 111 and name CA ) 25.4 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 111 and name CA ) 25.8 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 112 and name CA ) 23.9 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 112 and name CA ) 24.6 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 113 and name CA ) 27.4 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 113 and name CA ) 28.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 114 and name CA ) 29.5 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 114 and name CA ) 30.0 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 115 and name CA ) 27.6 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 115 and name CA ) 28.1 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 116 and name CA ) 28.5 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 116 and name CA ) 29.2 0.0 0.0
assign (segid A and resid 131 and name DUM ) (segid A and resid 117 and name CA ) 32.2 0.0 0.0
assign (segid A and resid 132 and name DUM ) (segid A and resid 117 and name CA ) 32.9 0.0 0.0
# Restraints file 2: ambig-final.tbl
! Ambiguous restraint list
! For CSP and PRE restraints to DUM atoms
! Initially CSP sets
! (G36, N38, K84, I93 and A98)
assign ( resid 36 and segid A) ( segid B ) 2.0 2.0 0.0
assign ( resid 38 and segid A) ( segid B ) 2.0 2.0 0.0
assign ( resid 84 and segid A) ( segid B ) 2.0 2.0 0.0
assign ( resid 93 and segid A) ( segid B ) 2.0 2.0 0.0
assign ( resid 98 and segid A) ( segid B ) 2.0 2.0 0.0
!
! K32C restraints form folder "clusters_2019-05-22-13-04-18"
!
! PRE restraints !!
!
assign (segid B and resid 3 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 13.3 11.3 5.2
assign (segid B and resid 5 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 15.7 13.7 10.5
assign (segid B and resid 5 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 17.8 15.8 10.3
assign (segid B and resid 5 and name C3' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 13.3 11.3 7.7
assign (segid B and resid 5 and name C4' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 14.3 12.3 9.5
assign (segid B and resid 5 and name C5' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 14.6 12.6 8.3
assign (segid B and resid 15 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 20.4 0.0 29.6
assign (segid B and resid 15 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 20.4 0.0 29.6
assign (segid B and resid 18 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 4.8 25.7
assign (segid B and resid 18 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 23.4 7.1 26.6
assign (segid B and resid 19 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 19.2 6.6 8.7
assign (segid B and resid 19 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 8.2 25.7
assign (segid B and resid 19 and name C3' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 23.6 7.6 26.4
assign (segid B and resid 19 and name C4' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 19.3 8.2 10.6
assign (segid B and resid 19 and name C5' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 23.3 9.3 26.7
assign (segid B and resid 20 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 6.0 25.7
assign (segid B and resid 20 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 5.7 25.7
assign (segid B and resid 20 and name C3' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 4.8 25.7
assign (segid B and resid 20 and name C4' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 7.7 25.7
assign (segid B and resid 20 and name C5' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 22.3 7.5 27.7
assign (segid B and resid 22 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 20.8 5.7 7.7
assign (segid B and resid 22 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 21.6 6.4 28.4
assign (segid B and resid 23 and name C1' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 24.3 7.1 25.7
assign (segid B and resid 23 and name C2' )
(
(segid A and resid 127 and name DUM )
or
(segid A and resid 128 and name DUM )
) 18.5 6.6 8.6
!
! N38C restraints
! Source is in folder:"clusters_2019-05-22-12-43-05"
!
! PRE restraints !!
!
assign (segid B and resid 3 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 13.5 11.5 9.8
assign (segid B and resid 5 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 25.2 9.7 24.8
assign (segid B and resid 5 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 22.0 9.6 28.0
assign (segid B and resid 5 and name C3' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 25.2 11.3 24.8
assign (segid B and resid 5 and name C4' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 25.2 10.0 24.8
assign (segid B and resid 5 and name C5' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 23.5 9.6 26.5
assign (segid B and resid 15 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 25.2 7.4 24.8
assign (segid B and resid 15 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 18.8 0.0 31.2
assign (segid B and resid 18 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 22.4 8.2 11.3
assign (segid B and resid 18 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 21.5 8.0 11.1
assign (segid B and resid 19 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 19.2 9.0 12.5
assign (segid B and resid 19 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 18.2 8.8 12.2
assign (segid B and resid 19 and name C3' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 19.9 8.5 11.8
assign (segid B and resid 19 and name C4' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 18.0 8.6 12.1
assign (segid B and resid 19 and name C5' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 23.8 9.4 26.2
assign (segid B and resid 20 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 13.6 11.6 11.1
assign (segid B and resid 20 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 13.5 11.5 8.4
assign (segid B and resid 20 and name C3' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 21.2 19.2 0.0
assign (segid B and resid 20 and name C4' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 13.8 11.8 13.3
assign (segid B and resid 20 and name C5' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 13.5 11.5 9.1
assign (segid B and resid 22 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 23.7 8.9 26.3
assign (segid B and resid 22 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 25.2 7.7 24.8
assign (segid B and resid 23 and name C1' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 17.9 8.5 11.9
assign (segid B and resid 23 and name C2' )
(
(segid A and resid 129 and name DUM )
or
(segid A and resid 130 and name DUM )
) 18.7 8.9 12.4
!
! E61C restraints is not included in this round!
!
!
! I93C restraints
! Source is in folder:"clusters_2019-05-22-12-17-12"
!
! PRE restraints !!
!
!
assign (segid B and resid 3 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 24.5 11.2 17.1
assign (segid B and resid 5 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 15.3
assign (segid B and resid 5 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 11.0
assign (segid B and resid 5 and name C3' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 15.1
assign (segid B and resid 5 and name C4' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 23.0 21.0 0.0
assign (segid B and resid 5 and name C5' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 13.4
assign (segid B and resid 15 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 14.0 12.0 13.2
assign (segid B and resid 15 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 14.8 8.6 13.0
assign (segid B and resid 18 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.6 10.6 13.4
assign (segid B and resid 18 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 23.0 21.0 0.0
assign (segid B and resid 19 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 13.2
assign (segid B and resid 19 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 12.2
assign (segid B and resid 19 and name C3' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 14.4
assign (segid B and resid 19 and name C4' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 23.0 21.0 0.0
assign (segid B and resid 19 and name C5' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 12.9
assign (segid B and resid 20 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 22.4 10.4 15.9
assign (segid B and resid 20 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 25.1 11.3 17.3
assign (segid B and resid 20 and name C3' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 16.8 9.6 14.6
assign (segid B and resid 20 and name C4' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 22.6 10.3 15.8
assign (segid B and resid 20 and name C5' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 23.3 10.0 15.5
assign (segid B and resid 22 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 10.7
assign (segid B and resid 22 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 12.5 10.5 10.6
assign (segid B and resid 23 and name C1' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 20.7 9.9 15.1
assign (segid B and resid 23 and name C2' )
(
(segid A and resid 131 and name DUM )
or
(segid A and resid 132 and name DUM )
) 23.2 10.5 16.1
!
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