Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
648759 | 6yfy RC | 50202 | cing | 1-original | 6 | XPLOR/CNS | distance | general distance | ambi |
!>>>>>>>>>>>>>>>>>>>>>> !<<<<<<<<<<<<<<<<<<<<<< ! DISTANCE restraints ! 2. teixobactin - Lipid II distance restraints !<<<<<<<<<<<<<<<<<<<<<< ! Lipid II - sugar !from PARIS 600ms at 950Mhz !Unambiguous assign (resid 7 and name C1 and segid C) (resid 6 and name C2 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C1 and segid C) (resid 6 and name C9 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid C) (resid 6 and name C1 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid C) (resid 6 and name C6 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid C) (resid 6 and name C1 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid C) (resid 6 and name C2 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid C) (resid 6 and name C6 and segid C) 4.5 3.0 1.5 assign (resid 7 and name C6 and segid C) (resid 6 and name C2 and segid C) 4.5 3.0 1.5 !Ambiguous assign (resid 7 and name C4 and segid C) (resid 7 and name C1 and segid C) 4.5 3.0 1.5 or (resid 6 and name C4 and segid C) (resid 7 and name C1 and segid C) assign (resid 7 and name C5 and segid C) (resid 6 and name C11 and segid C) 4.5 3.0 1.5 or (resid 7 and name C5 and segid C) (resid 6 and name C3 and segid C) assign (resid 7 and name C4 and segid C) (resid 7 and name C8 and segid C) 4.5 3.0 1.5 or (resid 7 and name C4 and segid C) (resid 6 and name C8 and segid C) or (resid 6 and name C4 and segid C) (resid 7 and name C8 and segid C) or (resid 6 and name C4 and segid C) (resid 6 and name C8 and segid C) assign (resid 6 and name C4 and segid C) (resid 6 and name C1 and segid C) 4.5 3.0 1.5 or (resid 7 and name C4 and segid C) (resid 6 and name C1 and segid C) assign (resid 6 and name C4 and segid C) (resid 6 and name C9 and segid C) 4.5 3.0 1.5 or (resid 7 and name C4 and segid C) (resid 6 and name C9 and segid C) assign (resid 6 and name C3 and segid C) (resid 7 and name C1 and segid C) 4.5 3.0 1.5 or (resid 6 and name C11 and segid C) (resid 7 and name C1 and segid C) assign (resid 6 and name C3 and segid C) (resid 7 and name C2 and segid C) 4.5 3.0 1.5 or (resid 6 and name C11 and segid C) (resid 7 and name C2 and segid C) assign (resid 6 and name C3 and segid C) (resid 7 and name C6 and segid C) 4.5 3.0 1.5 or (resid 6 and name C11 and segid C) (resid 7 and name C6 and segid C) assign (resid 7 and name C7 and segid C) (resid 6 and name C11 and segid C) 4.5 3.0 1.5 or (resid 7 and name C7 and segid C) (resid 6 and name C3 and segid C) !Lipid II sugar-pentapeptide contacts !from PARIS 600ms at 950Mhz assign (resid 1 and name CA and segid C) (resid 6 and name C9 and segid C) 4.5 3.0 1.5 assign (resid 1 and name CA and segid C) (resid 6 and name C8 and segid C) 4.5 3.0 1.5 or (resid 1 and name CA and segid C) (resid 7 and name C8 and segid C) !Teixo-Lipid II contacts !from PARIS 600ms at 950Mhz assign (resid 10 and name CD2 and segid A) (resid 6 and name C1 and segid C) 6.5 5.5 1.5 assign (resid 9 and name CB and segid A) (resid 6 and name C1 and segid C) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid A) (resid 7 and name C5 and segid C) 7.5 5.5 1.5 assign (resid 9 and name CB and segid A) (resid 6 and name C6 and segid C) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid A) (resid 6 and name C11 and segid C) 6.5 5.5 1.5 assign (resid 9 and name CA and segid A) (resid 6 and name C1 and segid C) 6.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C1 and segid C) assign (resid 9 and name CA and segid A) (resid 6 and name C5 and segid C) 6.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C5 and segid C) or (resid 9 and name CA and segid A) (resid 7 and name C3 and segid C) or (resid 10 and name CA and segid A) (resid 7 and name C3 and segid C) assign (resid 9 and name CA and segid A) (resid 6 and name C6 and segid C) 6.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C6 and segid C) assign (resid 9 and name CA and segid A) (resid 6 and name C4 and segid C) 6.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C4 and segid C) or (resid 9 and name CA and segid A) (resid 7 and name C4 and segid C) or (resid 10 and name CA and segid A) (resid 7 and name C4 and segid C) assign (resid 9 and name CA and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C9 and segid C) or (resid 9 and name CA and segid A) (resid 6 and name C3 and segid C) or (resid 10 and name CA and segid A) (resid 6 and name C9 and segid C) assign (resid 9 and name CB and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5 or (resid 9 and name CB and segid A) (resid 6 and name C9 and segid C) assign (resid 9 and name CB and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5 or (resid 9 and name CB and segid A) (resid 6 and name C9 and segid C) assign (resid 9 and name CB and segid A) (resid 6 and name C4 and segid C) 6.5 5.5 1.5 or (resid 9 and name CB and segid A) (resid 7 and name C4 and segid C) assign (resid 10 and name CD2 and segid A) (resid 6 and name C4 and segid C) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid A) (resid 7 and name C4 and segid C) assign (resid 10 and name CD2 and segid A) (resid 6 and name C3 and segid C) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid A) (resid 6 and name C9 and segid C) assign (resid 10 and name CD2 and segid A) (resid 6 and name C5 and segid C) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid A) (resid 7 and name C3 and segid C) assign (resid 9 and name CA and segid A) (resid 6 and name C8 and segid C) 7.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C8 and segid C) or (resid 9 and name CA and segid A) (resid 7 and name C8 and segid C) or (resid 10 and name CA and segid A) (resid 7 and name C8 and segid C) assign (resid 9 and name CA and segid A) (resid 6 and name C11 and segid C) 7.5 5.5 1.5 or (resid 10 and name CA and segid A) (resid 6 and name C11 and segid C) !PPI assign (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "A" and resid 8 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 10 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 11 and name HN) (segid "C" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !PPi to include residue 9 / second Pi with certainty assign (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "A" and resid 9 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 10 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "A" and resid 11 and name HN) (segid "C" and resid 9 and (name O1 or name O2 or name O3)) !assign (resid 11 and name HN and segid A) (resid 8 and name P and segid C) 4.0 1.5 2.0 !or (resid 10 and name HN and segid A) (resid 8 and name P and segid C) !or (resid 9 and name HN and segid A) (resid 8 and name P and segid C) !or (resid 8 and name HN and segid A) (resid 8 and name P and segid C) !assign (resid 11 and name HN and segid A) (resid 8 and name P and segid C) 4.0 1.5 2.0 !or (resid 10 and name HN and segid A) (resid 8 and name P and segid C) !or (resid 9 and name HN and segid A) (resid 8 and name P and segid C) !or (resid 8 and name HN and segid A) (resid 8 and name P and segid C) !assign (resid 11 and name HN and segid A) (resid 9 and name P and segid C) 4.0 1.5 2.0 !or (resid 10 and name HN and segid A) (resid 9 and name P and segid C) !or (resid 9 and name HN and segid A) (resid 9 and name P and segid C) !or (resid 8 and name HN and segid A) (resid 9 and name P and segid C) !assign (resid 11 and name HN and segid A) (resid 9 and name P and segid C) 4.0 1.5 2.0 !or (resid 10 and name HN and segid A) (resid 9 and name P and segid C) !or (resid 9 and name HN and segid A) (resid 9 and name P and segid C) !or (resid 8 and name HN and segid A) (resid 9 and name P and segid C) !>>>>>>>>>>>>>>>>>>>>>> !<<<<<<<<<<<<<<<<<<<<<< ! SECOND PAIR (B + D) !<<<<<<<<<<<<<<<<<<<<<< !>>>>>>>>>>>>>>>>>>>>>> ! Lipid II - sugar !from PARIS 600ms at 950Mhz !Unambiguous assign (resid 7 and name C1 and segid D) (resid 6 and name C2 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C1 and segid D) (resid 6 and name C9 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid D) (resid 6 and name C1 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid D) (resid 6 and name C6 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid D) (resid 6 and name C1 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid D) (resid 6 and name C2 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid D) (resid 6 and name C6 and segid D) 4.5 3.0 1.5 assign (resid 7 and name C6 and segid D) (resid 6 and name C2 and segid D) 4.5 3.0 1.5 !Ambiguous assign (resid 7 and name C4 and segid D) (resid 7 and name C1 and segid D) 4.5 3.0 1.5 or (resid 6 and name C4 and segid D) (resid 7 and name C1 and segid D) assign (resid 7 and name C5 and segid D) (resid 6 and name C11 and segid D) 4.5 3.0 1.5 or (resid 7 and name C5 and segid D) (resid 6 and name C3 and segid D) assign (resid 7 and name C4 and segid D) (resid 7 and name C8 and segid D) 4.5 3.0 1.5 or (resid 7 and name C4 and segid D) (resid 6 and name C8 and segid D) or (resid 6 and name C4 and segid D) (resid 7 and name C8 and segid D) or (resid 6 and name C4 and segid D) (resid 6 and name C8 and segid D) assign (resid 6 and name C4 and segid D) (resid 6 and name C1 and segid D) 4.5 3.0 1.5 or (resid 7 and name C4 and segid D) (resid 6 and name C1 and segid D) assign (resid 6 and name C4 and segid D) (resid 6 and name C9 and segid D) 4.5 3.0 1.5 or (resid 7 and name C4 and segid D) (resid 6 and name C9 and segid D) assign (resid 6 and name C3 and segid D) (resid 7 and name C1 and segid D) 4.5 3.0 1.5 or (resid 6 and name C11 and segid D) (resid 7 and name C1 and segid D) assign (resid 6 and name C3 and segid D) (resid 7 and name C2 and segid D) 4.5 3.0 1.5 or (resid 6 and name C11 and segid D) (resid 7 and name C2 and segid D) assign (resid 6 and name C3 and segid D) (resid 7 and name C6 and segid D) 4.5 3.0 1.5 or (resid 6 and name C11 and segid D) (resid 7 and name C6 and segid D) assign (resid 7 and name C7 and segid D) (resid 6 and name C11 and segid D) 4.5 3.0 1.5 or (resid 7 and name C7 and segid D) (resid 6 and name C3 and segid D) !Lipid II sugar-pentapeptide contacts !from PARIS 600ms at 950Mhz assign (resid 1 and name CA and segid D) (resid 6 and name C9 and segid D) 4.5 3.0 1.5 assign (resid 1 and name CA and segid D) (resid 6 and name C8 and segid D) 4.5 3.0 1.5 or (resid 1 and name CA and segid D) (resid 7 and name C8 and segid D) !Teixo-Lipid II contacts !from PARIS 600ms at 950Mhz assign (resid 10 and name CD2 and segid B) (resid 6 and name C1 and segid D) 6.5 5.5 1.5 assign (resid 9 and name CB and segid B) (resid 6 and name C1 and segid D) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid B) (resid 7 and name C5 and segid D) 7.5 5.5 1.5 assign (resid 9 and name CB and segid B) (resid 6 and name C6 and segid D) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid B) (resid 6 and name C11 and segid D) 6.5 5.5 1.5 assign (resid 9 and name CA and segid B) (resid 6 and name C1 and segid D) 6.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C1 and segid D) assign (resid 9 and name CA and segid B) (resid 6 and name C5 and segid D) 6.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C5 and segid D) or (resid 9 and name CA and segid B) (resid 7 and name C3 and segid D) or (resid 10 and name CA and segid B) (resid 7 and name C3 and segid D) assign (resid 9 and name CA and segid B) (resid 6 and name C6 and segid D) 6.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C6 and segid D) assign (resid 9 and name CA and segid B) (resid 6 and name C4 and segid D) 6.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C4 and segid D) or (resid 9 and name CA and segid B) (resid 7 and name C4 and segid D) or (resid 10 and name CA and segid B) (resid 7 and name C4 and segid D) assign (resid 9 and name CA and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C9 and segid D) or (resid 9 and name CA and segid B) (resid 6 and name C3 and segid D) or (resid 10 and name CA and segid B) (resid 6 and name C9 and segid D) assign (resid 9 and name CB and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5 or (resid 9 and name CB and segid B) (resid 6 and name C9 and segid D) assign (resid 9 and name CB and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5 or (resid 9 and name CB and segid B) (resid 6 and name C9 and segid D) assign (resid 9 and name CB and segid B) (resid 6 and name C4 and segid D) 6.5 5.5 1.5 or (resid 9 and name CB and segid B) (resid 7 and name C4 and segid D) assign (resid 10 and name CD2 and segid B) (resid 6 and name C4 and segid D) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid B) (resid 7 and name C4 and segid D) assign (resid 10 and name CD2 and segid B) (resid 6 and name C3 and segid D) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid B) (resid 6 and name C9 and segid D) assign (resid 10 and name CD2 and segid B) (resid 6 and name C5 and segid D) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid B) (resid 7 and name C3 and segid D) assign (resid 9 and name CA and segid B) (resid 6 and name C8 and segid D) 7.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C8 and segid D) or (resid 9 and name CA and segid B) (resid 7 and name C8 and segid D) or (resid 10 and name CA and segid B) (resid 7 and name C8 and segid D) assign (resid 9 and name CA and segid B) (resid 6 and name C11 and segid D) 7.5 5.5 1.5 or (resid 10 and name CA and segid B) (resid 6 and name C11 and segid D) !PPI assign (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "B" and resid 8 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 10 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 11 and name HN) (segid "D" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "B" and resid 9 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 10 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "B" and resid 11 and name HN) (segid "D" and resid 9 and (name O1 or name O2 or name O3)) !! ILE2/6 with TPL. Restraints to get the hydrophobic sidechains and TPL pointing into the same direction, as shown by T2-edited H(H)C experiment assign (resid 6 and name CD1 and segid B) (resid 10 and name C3 and segid D) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid B) (resid 11 and name C3 and segid D) 6 6 1.0 assign (resid 6 and name CD1 and segid B) (resid 12 and name C3 and segid D) 9 9 2.0 assign (resid 6 and name CD1 and segid B) (resid 10 and name C3 and segid D) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid B) (resid 11 and name C3 and segid D) 6 6 1.0 assign (resid 6 and name CD1 and segid B) (resid 12 and name C3 and segid D) 9 9 2.0 assign (resid 6 and name CD1 and segid F) (resid 10 and name C3 and segid H) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid F) (resid 11 and name C3 and segid H) 6 6 1.0 assign (resid 6 and name CD1 and segid F) (resid 12 and name C3 and segid H) 9 9 2.0 assign (resid 6 and name CD1 and segid F) (resid 10 and name C3 and segid H) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid F) (resid 11 and name C3 and segid H) 6 6 1.0 assign (resid 6 and name CD1 and segid F) (resid 12 and name C3 and segid H) 9 9 2.0 assign (resid 6 and name CD1 and segid A) (resid 10 and name C3 and segid C) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid A) (resid 11 and name C3 and segid C) 6 6 1.0 assign (resid 6 and name CD1 and segid A) (resid 12 and name C3 and segid C) 9 9 2.0 assign (resid 6 and name CD1 and segid A) (resid 10 and name C3 and segid C) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid A) (resid 11 and name C3 and segid C) 6 6 1.0 assign (resid 6 and name CD1 and segid A) (resid 12 and name C3 and segid C) 9 9 2.0 assign (resid 6 and name CD1 and segid E) (resid 10 and name C3 and segid G) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid E) (resid 11 and name C3 and segid G) 6 6 1.0 assign (resid 6 and name CD1 and segid E) (resid 12 and name C3 and segid G) 9 9 2.0 assign (resid 6 and name CD1 and segid E) (resid 10 and name C3 and segid G) 7.5 7.5 1.0 assign (resid 6 and name CD1 and segid E) (resid 11 and name C3 and segid G) 6 6 1.0 assign (resid 6 and name CD1 and segid E) (resid 12 and name C3 and segid G) 9 9 2.0 !>>>>>>>>>>>>>>>>>>>>>> !<<<<<<<<<<<<<<<<<<<<<< ! ! ! PAIRS E - G & F - H !<<<<<<<<<<<<<<<<<<<<<< !>>>>>>>>>>>>>>>>>>>>>> ! Lipid II - sugar !from PARIS 600ms at 950Mhz !Unambiguous assign (resid 7 and name C1 and segid G) (resid 6 and name C2 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C1 and segid G) (resid 6 and name C9 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid G) (resid 6 and name C1 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid G) (resid 6 and name C6 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid G) (resid 6 and name C1 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid G) (resid 6 and name C2 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid G) (resid 6 and name C6 and segid G) 4.5 3.0 1.5 assign (resid 7 and name C6 and segid G) (resid 6 and name C2 and segid G) 4.5 3.0 1.5 !Ambiguous assign (resid 7 and name C4 and segid G) (resid 7 and name C1 and segid G) 4.5 3.0 1.5 or (resid 6 and name C4 and segid G) (resid 7 and name C1 and segid G) assign (resid 7 and name C5 and segid G) (resid 6 and name C11 and segid G) 4.5 3.0 1.5 or (resid 7 and name C5 and segid G) (resid 6 and name C3 and segid G) assign (resid 7 and name C4 and segid G) (resid 7 and name C8 and segid G) 4.5 3.0 1.5 or (resid 7 and name C4 and segid G) (resid 6 and name C8 and segid G) or (resid 6 and name C4 and segid G) (resid 7 and name C8 and segid G) or (resid 6 and name C4 and segid G) (resid 6 and name C8 and segid G) assign (resid 6 and name C4 and segid G) (resid 6 and name C1 and segid G) 4.5 3.0 1.5 or (resid 7 and name C4 and segid G) (resid 6 and name C1 and segid G) assign (resid 6 and name C4 and segid G) (resid 6 and name C9 and segid G) 4.5 3.0 1.5 or (resid 7 and name C4 and segid G) (resid 6 and name C9 and segid G) assign (resid 6 and name C3 and segid G) (resid 7 and name C1 and segid G) 4.5 3.0 1.5 or (resid 6 and name C11 and segid G) (resid 7 and name C1 and segid G) assign (resid 6 and name C3 and segid G) (resid 7 and name C2 and segid G) 4.5 3.0 1.5 or (resid 6 and name C11 and segid G) (resid 7 and name C2 and segid G) assign (resid 6 and name C3 and segid G) (resid 7 and name C6 and segid G) 4.5 3.0 1.5 or (resid 6 and name C11 and segid G) (resid 7 and name C6 and segid G) assign (resid 7 and name C7 and segid G) (resid 6 and name C11 and segid G) 4.5 3.0 1.5 or (resid 7 and name C7 and segid G) (resid 6 and name C3 and segid G) !Lipid II sugar-pentapeptide contacts !from PARIS 600ms at 950Mhz assign (resid 1 and name CA and segid G) (resid 6 and name C9 and segid G) 4.5 3.0 1.5 assign (resid 1 and name CA and segid G) (resid 6 and name C8 and segid G) 4.5 3.0 1.5 or (resid 1 and name CA and segid G) (resid 7 and name C8 and segid G) !Teixo-Lipid II contacts !from PARIS 600ms at 950Mhz assign (resid 10 and name CD2 and segid E) (resid 6 and name C1 and segid G) 6.5 5.5 1.5 assign (resid 9 and name CB and segid E) (resid 6 and name C1 and segid G) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid E) (resid 7 and name C5 and segid G) 7.5 5.5 1.5 assign (resid 9 and name CB and segid E) (resid 6 and name C6 and segid G) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid E) (resid 6 and name C11 and segid G) 6.5 5.5 1.5 assign (resid 9 and name CA and segid E) (resid 6 and name C1 and segid G) 6.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C1 and segid G) assign (resid 9 and name CA and segid E) (resid 6 and name C5 and segid G) 6.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C5 and segid G) or (resid 9 and name CA and segid E) (resid 7 and name C3 and segid G) or (resid 10 and name CA and segid E) (resid 7 and name C3 and segid G) assign (resid 9 and name CA and segid E) (resid 6 and name C6 and segid G) 6.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C6 and segid G) assign (resid 9 and name CA and segid E) (resid 6 and name C4 and segid G) 6.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C4 and segid G) or (resid 9 and name CA and segid E) (resid 7 and name C4 and segid G) or (resid 10 and name CA and segid E) (resid 7 and name C4 and segid G) assign (resid 9 and name CA and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C9 and segid G) or (resid 9 and name CA and segid E) (resid 6 and name C3 and segid G) or (resid 10 and name CA and segid E) (resid 6 and name C9 and segid G) assign (resid 9 and name CB and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5 or (resid 9 and name CB and segid E) (resid 6 and name C9 and segid G) assign (resid 9 and name CB and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5 or (resid 9 and name CB and segid E) (resid 6 and name C9 and segid G) assign (resid 9 and name CB and segid E) (resid 6 and name C4 and segid G) 6.5 5.5 1.5 or (resid 9 and name CB and segid E) (resid 7 and name C4 and segid G) assign (resid 10 and name CD2 and segid E) (resid 6 and name C4 and segid G) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid E) (resid 7 and name C4 and segid G) assign (resid 10 and name CD2 and segid E) (resid 6 and name C3 and segid G) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid E) (resid 6 and name C9 and segid G) assign (resid 10 and name CD2 and segid E) (resid 6 and name C5 and segid G) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid E) (resid 7 and name C3 and segid G) assign (resid 9 and name CA and segid E) (resid 6 and name C8 and segid G) 7.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C8 and segid G) or (resid 9 and name CA and segid E) (resid 7 and name C8 and segid G) or (resid 10 and name CA and segid E) (resid 7 and name C8 and segid G) assign (resid 9 and name CA and segid E) (resid 6 and name C11 and segid G) 7.5 5.5 1.5 or (resid 10 and name CA and segid E) (resid 6 and name C11 and segid G) !PPI assign (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "E" and resid 8 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 10 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 11 and name HN) (segid "G" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !PPi to include residue 9 / second Pi with certainty assign (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "E" and resid 9 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 10 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "E" and resid 11 and name HN) (segid "G" and resid 9 and (name O1 or name O2 or name O3)) !assign (resid 11 and name HN and segid E) (resid 8 and name P and segid G) 4.0 1.5 2.0 !or (resid 10 and name HN and segid E) (resid 8 and name P and segid G) !or (resid 9 and name HN and segid E) (resid 8 and name P and segid G) !or (resid 8 and name HN and segid E) (resid 8 and name P and segid G) !assign (resid 11 and name HN and segid E) (resid 8 and name P and segid G) 4.0 1.5 2.0 !or (resid 10 and name HN and segid E) (resid 8 and name P and segid G) !or (resid 9 and name HN and segid E) (resid 8 and name P and segid G) !or (resid 8 and name HN and segid E) (resid 8 and name P and segid G) !assign (resid 11 and name HN and segid E) (resid 9 and name P and segid G) 4.0 1.5 2.0 !or (resid 10 and name HN and segid E) (resid 9 and name P and segid G) !or (resid 9 and name HN and segid E) (resid 9 and name P and segid G) !or (resid 8 and name HN and segid E) (resid 9 and name P and segid G) !assign (resid 11 and name HN and segid E) (resid 9 and name P and segid G) 4.0 1.5 2.0 !or (resid 10 and name HN and segid E) (resid 9 and name P and segid G) !or (resid 9 and name HN and segid E) (resid 9 and name P and segid G) !or (resid 8 and name HN and segid E) (resid 9 and name P and segid G) !>>>>>>>>>>>>>>>>>>>>>> !<<<<<<<<<<<<<<<<<<<<<< ! SECOND PAIR (F + H) !<<<<<<<<<<<<<<<<<<<<<< ! Lipid II - sugar !from PARIS 600ms at 950Mhz !Unambiguous assign (resid 7 and name C1 and segid H) (resid 6 and name C2 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C1 and segid H) (resid 6 and name C9 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid H) (resid 6 and name C1 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C2 and segid H) (resid 6 and name C6 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid H) (resid 6 and name C1 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid H) (resid 6 and name C2 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C5 and segid H) (resid 6 and name C6 and segid H) 4.5 3.0 1.5 assign (resid 7 and name C6 and segid H) (resid 6 and name C2 and segid H) 4.5 3.0 1.5 !Ambiguous assign (resid 7 and name C4 and segid H) (resid 7 and name C1 and segid H) 4.5 3.0 1.5 or (resid 6 and name C4 and segid H) (resid 7 and name C1 and segid H) assign (resid 7 and name C5 and segid H) (resid 6 and name C11 and segid H) 4.5 3.0 1.5 or (resid 7 and name C5 and segid H) (resid 6 and name C3 and segid H) assign (resid 7 and name C4 and segid H) (resid 7 and name C8 and segid H) 4.5 3.0 1.5 or (resid 7 and name C4 and segid H) (resid 6 and name C8 and segid H) or (resid 6 and name C4 and segid H) (resid 7 and name C8 and segid H) or (resid 6 and name C4 and segid H) (resid 6 and name C8 and segid H) assign (resid 6 and name C4 and segid H) (resid 6 and name C1 and segid H) 4.5 3.0 1.5 or (resid 7 and name C4 and segid H) (resid 6 and name C1 and segid H) assign (resid 6 and name C4 and segid H) (resid 6 and name C9 and segid H) 4.5 3.0 1.5 or (resid 7 and name C4 and segid H) (resid 6 and name C9 and segid H) assign (resid 6 and name C3 and segid H) (resid 7 and name C1 and segid H) 4.5 3.0 1.5 or (resid 6 and name C11 and segid H) (resid 7 and name C1 and segid H) assign (resid 6 and name C3 and segid H) (resid 7 and name C2 and segid H) 4.5 3.0 1.5 or (resid 6 and name C11 and segid H) (resid 7 and name C2 and segid H) assign (resid 6 and name C3 and segid H) (resid 7 and name C6 and segid H) 4.5 3.0 1.5 or (resid 6 and name C11 and segid H) (resid 7 and name C6 and segid H) assign (resid 7 and name C7 and segid H) (resid 6 and name C11 and segid H) 4.5 3.0 1.5 or (resid 7 and name C7 and segid H) (resid 6 and name C3 and segid H) !Lipid II sugar-pentapeptide contacts !from PARIS 600ms at 950Mhz assign (resid 1 and name CA and segid H) (resid 6 and name C9 and segid H) 4.5 3.0 1.5 assign (resid 1 and name CA and segid H) (resid 6 and name C8 and segid H) 4.5 3.0 1.5 or (resid 1 and name CA and segid H) (resid 7 and name C8 and segid H) !Teixo-Lipid II contacts !from PARIS 600ms at 950Mhz assign (resid 10 and name CD2 and segid F) (resid 6 and name C1 and segid H) 6.5 5.5 1.5 assign (resid 9 and name CB and segid F) (resid 6 and name C1 and segid H) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid F) (resid 7 and name C5 and segid H) 7.5 5.5 1.5 assign (resid 9 and name CB and segid F) (resid 6 and name C6 and segid H) 6.5 5.5 1.5 assign (resid 10 and name CD2 and segid F) (resid 6 and name C11 and segid H) 6.5 5.5 1.5 assign (resid 9 and name CA and segid F) (resid 6 and name C1 and segid H) 6.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C1 and segid H) assign (resid 9 and name CA and segid F) (resid 6 and name C5 and segid H) 6.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C5 and segid H) or (resid 9 and name CA and segid F) (resid 7 and name C3 and segid H) or (resid 10 and name CA and segid F) (resid 7 and name C3 and segid H) assign (resid 9 and name CA and segid F) (resid 6 and name C6 and segid H) 6.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C6 and segid H) assign (resid 9 and name CA and segid F) (resid 6 and name C4 and segid H) 6.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C4 and segid H) or (resid 9 and name CA and segid F) (resid 7 and name C4 and segid H) or (resid 10 and name CA and segid F) (resid 7 and name C4 and segid H) assign (resid 9 and name CA and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C9 and segid H) or (resid 9 and name CA and segid F) (resid 6 and name C3 and segid H) or (resid 10 and name CA and segid F) (resid 6 and name C9 and segid H) assign (resid 9 and name CB and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5 or (resid 9 and name CB and segid F) (resid 6 and name C9 and segid H) assign (resid 9 and name CB and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5 or (resid 9 and name CB and segid F) (resid 6 and name C9 and segid H) assign (resid 9 and name CB and segid F) (resid 6 and name C4 and segid H) 6.5 5.5 1.5 or (resid 9 and name CB and segid F) (resid 7 and name C4 and segid H) assign (resid 10 and name CD2 and segid F) (resid 6 and name C4 and segid H) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid F) (resid 7 and name C4 and segid H) assign (resid 10 and name CD2 and segid F) (resid 6 and name C3 and segid H) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid F) (resid 6 and name C9 and segid H) assign (resid 10 and name CD2 and segid F) (resid 6 and name C5 and segid H) 6.5 5.5 1.5 or (resid 10 and name CD2 and segid F) (resid 7 and name C3 and segid H) assign (resid 9 and name CA and segid F) (resid 6 and name C8 and segid H) 7.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C8 and segid H) or (resid 9 and name CA and segid F) (resid 7 and name C8 and segid H) or (resid 10 and name CA and segid F) (resid 7 and name C8 and segid H) assign (resid 9 and name CA and segid F) (resid 6 and name C11 and segid H) 7.5 5.5 1.5 or (resid 10 and name CA and segid F) (resid 6 and name C11 and segid H) !PPI assign (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 !or (segid "F" and resid 8 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 10 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 11 and name HN) (segid "H" and resid 8 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) assign (segid "F" and resid 9 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) 2.0 0.3 0.4 or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 10 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3)) !or (segid "F" and resid 11 and name HN) (segid "H" and resid 9 and (name O1 or name O2 or name O3))