NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
28534 3cti cing 1-original 1 XPLOR/CNS distance NOE build-up simple


! BACKBONE
!HN(i)-HN(i+1) resid 1-16
ASSIGN (resid  12 and name hn)(resid 11 and name hn)
  29.7 0.3 0.3 44.0 0.3 0.3 47.7 0.3 0.3 46.7 0.3 0.3     !
ASSIGN (resid  13 and name hn)(resid 12 and name hn)
  2.0 0.8 0.5 3.0 0.8 0.5 3.6 0.5 0.5 3.2 0.5 0.5         ! a
ASSIGN (resid  14 and name hn)(resid 13 and name hn)
  0.9 0.5 0.5 4.9 0.3 0.3 7.2 0.3 0.3 9.5 0.3 0.3         !
ASSIGN (resid  15 and name hn)(resid 14 and name hn)
  3.0 2.0 0.4 4.0 0.4 0.4 4.5 0.3 0.3 7.1 0.3 0.3         !
  
!HN(i)-HN(i+1) resid 17-29
ASSIGN (resid  20 and name hn)(resid 19 and name hn)
  6.0 0.3 0.3 10.0 0.3 0.3 14.0 0.3 0.3 17.0 0.3 0.3      !
ASSIGN (resid  25 and name hn)(resid 24 and name hn)
  3.2 0.3 0.3 5.6 0.3 0.3 8.7 0.3 0.3 9.7 0.3 0.3         !
ASSIGN (resid  26 and name hn)(resid 25 and name hn)
  7.3 0.3 0.3 10.0 1.0 0.3 14.0 1.0 0.3 15.0 1.0 0.3      !
ASSIGN (resid  27 and name hn)(resid 26 and name hn)
  7.0 0.3 0.3 11.6 0.3 0.3 16.7 0.3 0.3 20.2 0.3 0.3      !
  
!HN(i+1)-HA(i) resid 1-16
ASSIGN (resid 3 and name hn)(resid 2 and name ha)
  24.0 0.3 0.3 45.5 0.3 0.3 57.3 0.3 0.3 62.0 0.3 0.3     !i
ASSIGN ((resid 5 or resid 24) and name hn)
          ((resid 4 or resid 5 or resid 23) and name ha)
  41.4 0.3 0.3 67.2 0.3 0.3 82.2 0.3 0.3 87.0 0.3 0.3     !+5ha,24-23ha
ASSIGN (resid 6 and name hn)(resid 5 and name ha)
  20.0 0.3 0.3 31.8 0.3 0.3 39.9 0.3 0.3 43.2 0.3 0.3     !
ASSIGN (resid 7 and name hn)(resid 6 and name ha)
  38.9 0.3 0.3 54.5 0.3 0.3 70.0 0.3 0.3 64.0 0.3 0.3     !
ASSIGN (resid 8 and name hn)(resid 7 and name ha)
  18.0 0.3 0.3 27.0 0.3 0.3 31.0 0.3 0.3 30.5 0.3 0.3     !
ASSIGN (resid 9 and name hn)
          ((resid 8 or resid 9) and name ha)
  23.5 0.3 0.3 34.7 0.3 0.3 38.4 0.3 0.3 38.7 0.3 0.3     !+9ha
ASSIGN (resid 10 and name hn)(resid 9 and name ha)
  17.4 0.3 0.3 24.0 0.3 0.3 26.4 0.3 0.3 26.7 0.3 0.3     !
ASSIGN (resid 12 and name hn)(resid 11 and name ha)
  0.0 0.3 2.0 1.6 0.5 0.8 4.5 0.3 0.3 6.2 0.3 0.3         !
ASSIGN (resid 14 and name hn)(resid 13 and name ha)
  5.0 2.0 0.3 7.1 0.5 0.5 8.1 0.3 0.3 8.0 0.3 0.3         !maxso 14-14b1
ASSIGN (resid 15 and name hn)(resid 14 and name ha)
  2.8 0.5 0.5 5.6 0.3 0.3 8.0 0.3 0.3 11.1 0.3 0.3        !
ASSIGN (resid 16 and name hn)(resid 15 and name ha)
  3.9 0.3 0.3 8.0 0.3 0.3 11.4 0.3 0.3 13.8 0.3 0.3       ! so 15-15a
  
!HN(i+1)-HA(i) 17-29
ASSIGN (resid 18 and name hn)(resid 17 and name ha)
  24.8 0.3 0.3 37.5 0.3 0.3 44.1 0.3 0.3 45.8 0.3 0.3     !
ASSIGN (resid 19 and name hn)(resid 18 and name ha)
  4.7 0.3 0.3 9.2 0.3 0.3 13.5 0.3 0.3 15.1 0.3 0.3       !
ASSIGN (resid 21 and name hn)(resid 20 and name ha)
  11.2 0.3 0.3 15.4 0.3 0.3 15.8 0.3 0.3 15.0 0.3 0.3     !
ASSIGN (resid 22 and name hn)(resid 21 and name ha)
  15.1 0.3 0.3 23.5 0.3 0.3 29.1 0.3 0.3 30.8 0.3 0.3     !
!
ASSIGN (resid 25 and name hn)(resid 24 and name ha)
  11.8 0.3 0.3 19.2 0.3 0.3 25.2 0.3 0.3 27.4 0.3 0.3     !
ASSIGN (resid 28 and name hn)(resid 27 and name ha)
  18.0 0.3 0.3 28.0 0.3 0.3 32.0 0.3 0.3 32.0 0.3 0.3     !
ASSIGN (resid 29 and name hn)(resid 28 and name ha)
  15.1 0.3 0.3 22.0 0.3 0.3 24.0 0.3 0.3 25.0 0.3 0.3     !
    !18
ASSIGN (resid 18 and name hn)(resid 18 and name ha)
  24.8 0.3 0.3 37.7 0.3 0.3 45.2 0.3 0.3 48.2 0.3 0.3     !
  
! SIDECHAIN
!HN(i+1)-HB#(i)
ASSIGN (resid 2 and name hn)(resid 1 and name hb#)
  4.0 2.0 0.3 4.5 2.0 0.3 5.0 0.3 0.3 5.0 0.3 0.3         !
ASSIGN (resid 6 and name hn)(resid 5 and name hb#)
  0.5 0.5 0.3 1.8 0.5 0.5 3.0 0.4 0.4 3.0 0.3 0.3         !
ASSIGN (resid 18 and name hn)(resid 17 and name hg)
  0.0 0.0 0.0 1.5 1.0 0.5 4.4 1.0 0.3 6.3 0.3 0.3         !
ASSIGN (resid 19 and name hn)(resid 18 and name hb#)
  22.0 0.0 0.3 36.7 0.3 0.3 43.0 0.3 0.3 45.0 0.3 0.3     ! Me
  
!HN(i+1)-HG#(i)
ASSIGN (resid 2 and name hn)(resid 1 and name hg1)
  0.4 0.4 1.0 1.6 0.5 0.4 2.0 0.3 0.3 3.5 0.3 0.3         !
ASSIGN (resid 2 and name hn)(resid 1 and name hg2)
  0.0 0.0 0.8 2.5 0.3 0.3 3.2 0.3 0.3 4.0 0.3 0.3         !
ASSIGN (resid 18 and name hn)(resid 17 and name hd*)
  4.7 2.0 1.0 8.0 1.0 1.0 12.0 0.5 0.5 15.6 0.5 0.5       !Me

!NH(i+j)-HB, HG etc
ASSIGN (resid 20 and name hn)(resid 18 and name hb#)
  1.0 1.0 0.3  9.4 2.0 0.3 14.7 0.3 0.3 20.0 0.3 0.3      !Me
  
! ALIPHATIC
! SIDECHAIN INTRA

!HN(i)-Hb#(i)
ASSIGN (resid 5 and name hn)(resid 5 and name hb#)
  5.0 0.3 0.3 10.2 0.3 0.3 12.5 0.3 0.3 13.5 0.3 0.3      !one
ASSIGN ((resid 15 or resid 16) and name hn)
          (resid 15 and name hb#)
  17.8 0.3 0.3 30.0 0.3 0.3 38.0 0.3 0.3 42.0 0.3 0.3     !+so16n-15b
ASSIGN (resid 18 and name hn)
         ((resid 17 and name hb2) or (resid 18 and name hb#))
  13.4 0.3 0.3 25.4 0.3 0.3 30.0 0.3 0.3 33.6 0.3 0.3     ! +17hb2
  
!HN(i)-HG#(i)
!RESIDUES
!2
ASSIGN (resid 2 and name hn)(resid 2 and name hb)
  7.4 0.3 0.3 12.4 0.3 0.3 16.0 0.3 0.3 17.0 0.3 0.3      !
ASSIGN (resid 19 and name hn)(resid 2 and name hg1#)
  0.5 0.5 0.5 1.0 1.0 0.3 1.5 1.0 0.5 1.7 0.5 0.5         ! Me
ASSIGN (resid 19 and name hn)(resid 2 and name hg2#)
  2.5 0.3 0.3 3.0 0.3 0.3 4.2 0.3 0.3 4.8 0.3 0.3         ! Me
ASSIGN (resid 2 and name hn)(resid 2 and name hg1#)
  7.6 0.3 0.3 13.4 0.3 0.3 16.4 0.3 0.3 18.1 0.3 0.3      ! Me
ASSIGN (resid 2 and name hn)(resid 2 and name hg2#)
  2.1 2.0 0.3 3.8 2.0 0.3 6.0 3.0 0.3 7.1 3.0 0.3         ! max sh Me
ASSIGN (resid 3 and name hn)(resid 2 and name hb)
  0.0 0.0 0.4 0.0 0.0 0.4 1.0 0.5 0.3 0.9 0.5 0.4         !
ASSIGN (resid 3 and name hn)(resid 2 and name hg1#)
  1.2 0.5 0.3 2.7 0.8 0.3 3.6 0.8 0.3 3.6 0.3 0.3         !sh Me
ASSIGN (resid 3 and name hn)(resid 2 and name hg2#)
  4.5 0.3 0.3 8.7 0.3 0.3 13.6 0.3 0.3 17.4 0.3 0.3       ! Me
!3
ASSIGN (resid 3 and name hn)(resid 3 and name hb1)
  4.3 0.3 0.3 8.0 0.3 0.3 9.0 0.3 2.3 10.0 0.3 3.3        !i
ASSIGN (resid 3 and name hn)(resid 3 and name hb2)
  7.0 0.3 0.3 10.3 0.3 0.3 11.5 0.3 0.3 13.2 0.3 0.3      !i
ASSIGN (resid 3 and name ha)(resid 3 and name hb1)
  8.0 0.3 0.3 12.0 0.3 0.3 14.0 0.3 0.3 16.0 0.3 0.3      !i2
ASSIGN (resid 3 and name ha)(resid 3 and name hb2)
  5.2 0.3 0.3 9.0 0.3 0.3 11.5 0.3 0.3 13.0 0.3 0.3       !i 2
ASSIGN (resid 19 and name hn)(resid 3 and name hb1)
  3.0 3.0 0.6 4.0 0.4 0.4 4.2 0.5 0.8 4.0 0.4 0.4         !i
ASSIGN (resid 19 and name hn)(resid 3 and name hb2)
  0.5 0.5 0.6 0.5 0.5 0.5 1.0 0.5 0.5 1.5 0.6 0.6         !i
!
ASSIGN (resid 3 and name ha)(resid 18 and name hb#)
  13.8 13.0 0.3 21.0 20.0 0.4 20.0 0.5 5.0 23.8 2.0 2.0   ! sd?
!4
ASSIGN (resid 4 and name ha)(resid 4 and name hb1)
  16.7 0.3 0.3 25.2 0.3 0.3 33.5 0.3 0.3 33.5 0.3 0.3     !
ASSIGN (resid 4 and name ha)(resid 4 and name hb2)
  10.2 2.0 0.3 13.0 1.0 0.3 23.4 2.0 0.3 23.6 2.0 0.3     !
ASSIGN (resid 5 and name hn)(resid 4 and name hb1)
  2.0 1.8 0.3 3.0 3.0 0.3 7.0 2.0 0.3 11.0 3.0 0.3        !
ASSIGN (resid 5 and name hn)(resid 4 and name hb2)
  1.8 1.8 0.3 3.0 2.0 0.3 4.0 2.0 0.4 5.0 3.0 0.3         !
ASSIGN (resid 4 and name hd1) (resid 3 and name ha)
  10.8 0.3 0.3 18.0 0.3 0.3 21.0 0.3 0.3 24.0 0.3 0.3     !
ASSIGN (resid 4 and name hd2) (resid 3 and name ha)
  19.8 0.3 0.3 28.0 0.3 0.3 29.0 0.3 0.3 28.0 0.3 0.3     !
ASSIGN (resid 4 and name hg#) (resid 3 and name ha)
  0.0 0.0 0.8 1.0 1.0 0.3 2.0 1.5 0.3 4.0 0.4 0.4         !
ASSIGN (resid 4 and name hd1) (resid 3 and name hn)
  4.2 0.5 0.8 6.0 2.0 0.3 4.8 1.0 0.4 5.0 1.0 0.4         !
ASSIGN (resid 4 and name hd2) (resid 3 and name hn)
  2.0 2.0 0.5 0.8 0.5 1.0 1.7 1.0 1.0 1.8 1.0 0.8         !
!6
ASSIGN (resid 6 and name hn)(resid 6 and name hg11)
  3.5 0.3 1.0 6.0 0.3 0.3 7.5 0.4 0.3 8.0 0.4 0.4         !i
ASSIGN (resid 6 and name hn)(resid 6 and name hg12)
  1.0 0.3 2.0 3.5 0.5 1.0 6.0 0.3 0.3 6.8 0.3 0.3         !i
ASSIGN (resid 7 and name hn)(resid 6 and name hg11)
  1.5 1.0 0.3 0.9 0.5 0.3 0.9 0.8 0.3 0.6 0.6 0.3         !i
ASSIGN (resid 7 and name hn)(resid 6 and name hg12)
  1.5 0.3 0.3 2.3 0.4 0.4 3.3 0.5 0.5 4.0 0.3 0.3         !
ASSIGN (resid 6 and name ha)(resid 6 and name hg11)
  2.0 1.0 1.0 3.0 0.3 1.0 5.0 0.4 0.4 6.8 0.4 0.4         !i2
ASSIGN (resid 6 and name ha)(resid 6 and name hg12)
  6.0 1.0 2.0 9.0 1.0 1.0 10.0 1.0 2.0 12.0 0.3 0.3       !i2
ASSIGN (resid 6 and name hn)(resid 6 and name hb)
  8.0 0.3 0.3 11.0 0.3 0.3 13.5 0.5 0.5 15.0 0.4 0.4      !!
ASSIGN (resid 6 and name ha)(resid 6 and name hb)
  3.5 0.3 2.0 7.0 3.0 3.0 11.0 0.4 0.4 15.0 0.4 0.4       !
ASSIGN (resid 7 and name hn)(resid 6 and name hb)
  3.6 0.3 0.3 5.0 0.3 0.3 5.0 0.4 0.4 5.0 0.3 0.3         !!
ASSIGN (resid 6 and name hn)(resid 6 and name hg2#)
  3.4 0.3 0.3 7.3 0.3 0.3 9.9 0.3 0.3 11.4 0.3 0.3        ! Me
!7
ASSIGN (resid 9 and name hn)(resid 9 and name hb2)
  7.8 0.3 0.3 13.2 0.3 0.3 14.8 0.3 0.3 15.6 0.3 0.3      !
ASSIGN (resid 10 and name hn)(resid 9 and name hb1)
  6.6 0.3 0.3 9.7 0.3 0.3 11.3 0.3 0.3 12.4 0.3 0.3       !
ASSIGN (resid 10 and name hn)(resid 9 and name hb2)
  1.8 0.4 0.4 3.5 0.4 0.4 5.6 0.3 0.3 6.1 0.3 0.3         !
ASSIGN (resid 27 and name hd#)(resid 9 and name hb2)
  5.0 5.0 0.3 5.0 4.0 0.3 6.1 1.0 0.3 10.7 2.0 0.3        !
ASSIGN (resid 9 and name hn)(resid 9 and name hg1)
  7.0 0.3 0.3 9.4 0.3 0.3 10.5 0.3 0.3 10.0 0.3 0.3       !
ASSIGN (resid 9 and name hn)(resid 9 and name hg2)
  1.0 1.0 0.3 2.6 0.4 0.3 3.8 0.3 0.3 5.2 0.3 0.3         !
ASSIGN (resid 10 and name hn)(resid 9 and name hg1)
  0.0 0.0 0.7 0.3 0.3 0.7 0.3 1.0 1.0 0.8 0.3 0.3         !
ASSIGN (resid 10 and name hn)(resid 9 and name hg2)
  0.0 0.0 0.5 0.3 0.3 0.5 0.3 0.2 0.5 0.5 0.2 0.5         !
!10
ASSIGN (resid 10 and name hn)(resid 10 and name hb1)
  2.0 0.3 0.3 3.0 0.3 0.3 3.5 0.3 0.3 3.2 0.3 0.3         !
ASSIGN (resid 10 and name hn)(resid 10 and name hb2)
  4.0 0.4 0.4 5.5 0.3 0.3 6.3 0.3 0.3 6.8 0.3 0.3         !
ASSIGN (resid 11 and name hn)(resid 10 and name hb1)
  7.0 0.3 0.3 8.5 0.3 0.3 9.3 0.3 0.3 10.0 0.3 0.3        ! so21-20b2
ASSIGN (resid 11 and name hn)(resid 10 and name hb2)
  0.0 0.0 0.3 0.0 0.0 0.5 1.5 0.3 0.3 3.0 0.3 0.3         !
ASSIGN (resid 12 and name hn)(resid 10 and name hb1)
  4.0 0.3 0.3 5.8 0.3 0.3 7.4 0.3 0.3 8.3 0.3 0.3         !
ASSIGN (resid 12 and name hn)(resid 10 and name hb2)
  0.5 0.2 0.3 0.5 0.3 0.3 1.6 0.3 0.3 2.3 0.3 0.3         !
!11
ASSIGN (resid 11 and name hn)(resid 11 and name he#)
   7.2 0.3 0.3 9.0 0.3 0.3 11.0 0.3 0.3 11.4 0.3 0.3      ! one
!12
ASSIGN (resid 12 and name hn)(resid 12 and name hg1)
  5.4 0.3 0.3 8.6 0.3 0.3 11.4 0.3 0.3 12.2 0.3 0.3       !
ASSIGN (resid 12 and name hn)(resid 12 and name hg2)
  3.4 0.3 0.3 4.9 0.3 0.3 5.8 0.3 0.3 6.5 0.3 0.3         !
ASSIGN (resid 14 and name hn)(resid 12 and name hg1)
  0.0 0.0 0.3 0.7 0.6 0.3 1.4 0.4 0.4 2.0 0.3 0.3         !
ASSIGN (resid 14 and name hn)(resid 12 and name hg2)
  3.9 0.3 0.3 6.3 0.3 0.3 7.5 0.3 0.3 8.0 0.3 0.3         !
ASSIGN (resid 12 and name hn)(resid 12 and name hd#)
  1.4 0.4 0.4 1.5 0.4 0.4 1.7 0.4 0.4 2.1 0.4 0.4         !
ASSIGN (resid 12 and name hn)(resid 12 and name he#) 
  2.0 0.5 0.5 6.5 0.3 0.3 9.5 0.3 0.3 12.5 0.3 0.3        !
ASSIGN (resid 14 and name hn)(resid 12 and name hd#)
  0.5 0.5 0.3 1.0 0.5 0.3 1.6 0.4 0.4 1.9 0.3 0.3         !
!13
ASSIGN (resid 13 and name hn)
          ((resid 13 and name hb1) or (resid 22 and name hb1))
  2.3 0.3 0.3 8.0 0.3 0.3 12.5 0.3 0.3 15.1 0.3 0.3       ! +22hb1
ASSIGN (resid 13 and name hn)(resid 13 and name hb2)
  11.6 0.3 0.3 16.8 0.3 0.3 19.1 0.3 0.3 19.5 0.3 0.3     !
ASSIGN (resid 14 and name hn)
          ((resid 13 and name hb1) or (resid 22 and name hb1))
  2.5 0.3 0.3 4.0 0.3 0.3 4.8 0.3 0.3 6.2 0.3 0.3         ! +22b1?
ASSIGN (resid 14 and name hn)(resid 13 and name hb2)
  2.0 1.0 0.5 4.4 0.3 0.3 6.2 0.3 0.3 7.2 0.3 0.3         ! max
ASSIGN (resid 13 and name ha)(resid 13 and name hb1)
  14.0 0.3 0.3 24.0 0.3 0.3 28.1 0.3 0.3 33.0 0.3 0.3     !
ASSIGN (resid 13 and name ha)(resid 13 and name hb2)
  7.0 0.3 0.3 12.0 0.3 0.3 14.0 0.3 0.3 16.0 0.3 0.3      !
!14
ASSIGN (resid 14 and name hn)(resid 14 and name hb1)
  0.0 0.0 1.0 3.2 0.3 0.3 3.5 0.5 0.5 4.0 0.3 0.3         ! max
ASSIGN (resid 14 and name hn)(resid 14 and name hb2)
  7.7 0.3 0.3 11.6 0.3 0.3 13.2 0.3 0.3 14.8 0.3 0.3      !
ASSIGN (resid 15 and name hn)(resid 14 and name hb1)
  2.2 0.3 0.3 3.5 0.3 0.3 2.8 0.5 1.0 4.0 0.5 0.5         ! max 16
ASSIGN (resid 15 and name hn)(resid 14 and name hb2)
  4.4 0.3 0.3 5.1 0.3 0.3 5.1 0.3 0.3 5.6 0.3 0.3         ! max 16
!16
ASSIGN (resid 16 and name hn)(resid 16 and name hb1)
  0.0 0.0 2.0 2.0 0.3 1.0 5.0 0.3 0.3 7.0 0.3 0.3         ! max
ASSIGN (resid 16 and name hn)(resid 16 and name hb2)
  11.3 0.3 0.3 17.1 0.3 0.3 20.5 0.3 0.3 22.2 0.3 0.3     !
ASSIGN (resid 17 and name hn)(resid 16 and name hb1)
  12.6 0.3 0.3 15.4 0.3 0.3 14.5 0.3 0.3 14.0 0.3 0.3     !
ASSIGN (resid 17 and name hn)(resid 16 and name hb2)
  0.0 0.0 2.0 3.0 0.3 1.0 9.3 0.3 0.3 11.8 0.3 0.3        !
ASSIGN (resid 16 and name hb1)(resid 20 and name hb1)
  20.0 0.3 0.3 21.0 0.3 0.3 19.0 0.3 0.3 19.0 0.3 0.3     !
ASSIGN (resid 16 and name hb2)(resid 20 and name hb1)
  12.0 0.3 0.3 14.0 0.3 0.3 15.0 0.3 0.3 15.0 0.3 0.3     !
ASSIGN (resid 16 and name hb2)(resid 20 and name hb2)
  5.0 0.5 0.3 7.8 3.0 1.0 10.0 0.3 0.3 10.0 0.3 0.3       !
!20
ASSIGN (resid 20 and name hn)(resid 20 and name hb1)
  8.0 0.3 0.3 15.0 0.3 0.3 18.1 0.3 0.3 16.5 0.3 0.3      !
ASSIGN (resid 20 and name hn)(resid 20 and name hb2)
  2.0 0.3 3.0 9.0 0.3 0.3 11.1 0.3 0.3 12.8 0.3 0.3       !
ASSIGN (resid 21 and name hn)(resid 20 and name hb1)
  1.0 0.6 0.8 2.5 1.0 0.3 4.6 0.3 0.3 5.6 0.3 0.3         !
ASSIGN (resid 21 and name hn)(resid 20 and name hb2)
  8.5 0.3 0.3 11.4 0.3 0.3 13.7 0.3 0.3 13.7 0.3 0.3      !
ASSIGN (resid 29 and name hn)(resid 20 and name hb2)
  4.2 0.3 0.3 4.8 0.3 0.3 5.0 0.3 0.3 5.8 0.3 0.3         !
!21
ASSIGN (resid 21 and name hn)(resid 21 and name hg1#)
  5.1 0.3 0.3 8.0 0.3 0.3 8.5 0.3 0.3 8.5 0.3 0.3         !
ASSIGN (resid 21 and name hn)(resid 21 and name hg2#)
  12.0 0.3 0.3 18.6 0.3 0.3 23.1 0.3 0.3 25.8 0.3 0.3     !
ASSIGN (resid 21 and name hn)(resid 21 and name hb)
  0.0 0.0 1.0 3.0 0.3 0.3 4.5 0.3 0.3 6.2 0.3 0.3         !
ASSIGN (resid 22 and name hn)(resid 21 and name hg1#)
  0.8 0.5 0.5 4.8 0.3 0.3 7.5 0.3 0.3 9.0 0.3 0.3         !
ASSIGN (resid 22 and name hn)(resid 21 and name hg2#)
  4.0 0.3 0.3 6.2 0.3 0.3 8.2 0.3 0.3 10.0 0.3 0.3        !
ASSIGN (resid 22 and name hn)(resid 21 and name hb)
  17.4 0.3 0.3 26.3 0.3 0.3 30.5 0.3 0.3 32.1 0.3 0.3     !
ASSIGN (resid 29 and name hn)(resid 21 and name hg2#)
  2.5 0.3 0.3 3.0 0.3 0.3 4.0 0.3 0.3 5.0 0.3 0.3         !
ASSIGN (resid 21 and name ha)(resid 21 and name hg1#)
  22.0 0.3 0.3 40.0 0.3 0.3 60.0 0.3 0.3 68.0 0.3 0.3     !
ASSIGN (resid 21 and name ha)(resid 21 and name hg2#)
  0.0 0.0 1.0 2.0 1.0 2.0 12.0 1.0 1.0 14.0 2.0 2.0       !
ASSIGN (resid 21 and name ha)(resid 21 and name hb)
  8.0 1.0 1.0 22.0 2.0 0.3 30.0 0.3 0.3 28.0 0.3 0.3      !
!22
ASSIGN (resid 22 and name hn)(resid 22 and name hb1)
  10.5 0.3 0.3 15.7 0.3 0.3 18.8 0.3 0.3 20.4 0.3 0.3     !
ASSIGN (resid 22 and name hn)(resid 22 and name hb2)
  5.9 0.3 0.3 9.6 0.3 0.3 12.2 0.3 0.3 13.5 0.3 0.3       !
ASSIGN (resid 23 and name hn)(resid 22 and name hb1)
  1.5 1.5 0.3 1.5 1.5 0.3 1.5 1.5 0.3 1.5 1.5 0.3         ! 0.
ASSIGN (resid 23 and name hn)(resid 22 and name hb2)
  1.5 1.5 0.3 1.5 1.5 0.3 1.5 1.5 0.3 1.5 1.5 0.3         ! 0.
ASSIGN (resid 22 and name hb2)(resid 13 and name hn)
  0.2 0.2 0.3 1.1 0.9 0.3 2.0 0.5 0.5 2.7 0.5 0.5         !
ASSIGN (resid 22 and name hb2)(resid 13 and name ha)
  10.2 0.3 0.3 10.2 0.3 0.3 12.0 0.3 0.3 11.8 0.3 0.3     !
!23
ASSIGN (resid 23 and name hn)(resid 23 and name hb1)
  11.6 0.3 0.3  14.5 0.3 0.3 25.6 0.3 0.3 14.5 0.3 0.3    !
ASSIGN (resid 23 and name hn)(resid 23 and name hb2)
  1.5 0.3 0.9 4.0 0.3 0.3 7.3 0.3 0.3 8.7 0.3 0.3         !
ASSIGN (resid 24 and name hn)
          ((resid 23 and name hb1) or (resid 24 and name hb2))
  10.1 0.3 0.3 22.2 0.3 0.3 30.6 0.3 0.3 33.0 0.3 0.3     !+24b2{+5b}
ASSIGN (resid 24 and name hn)(resid 23 and name hb2)
  25.0 5.3 0.3 38.0 5.3 0.3 42.0 5.3 0.3 41.0 5.3 0.3     ! strong
ASSIGN (resid 25 and name hn)
          ((resid 23 and name hb1) or (resid 24 and name hb2))
  0.2 0.2 1.0 3.2 0.3 0.3 5.2 0.3 0.3 6.2 0.3 0.3         !+24b2 max
ASSIGN (resid 25 and name hn)(resid 23 and name hb2)
  0.7 0.3 0.4 1.8 0.3 0.3 2.7 0.3 0.3 3.3 0.3 0.3         !
ASSIGN (resid 29 and name hn)(resid 23 and name hb1)
  0.3 0.3 0.5 0.7 0.7 0.7 1.2 0.7 0.7 1.4 0.5 0.5         ! somth.
ASSIGN (resid 29 and name hn)(resid 23 and name hb2)
  0.0 0.0 0.4 0.0 0.0 0.4 0.0 0.0 0.4 0.3 0.3 0.4         ! 0.0
ASSIGN (resid 23 and name hn)(resid 23 and name hg)
  10.0 0.3 0.3 15.1 0.3 0.3 17.7 0.3 0.3 17.6 0.3 0.3     !
ASSIGN (resid 29 and name hn)(resid 23 and name hg)
  3.0 0.3 0.3 5.5 0.3 0.3 6.0 0.3 0.3 6.5 0.3 0.3         !
ASSIGN (resid 23 and name hn)(resid 23 and name hd1#)
  2.2 0.5 0.5 3.3 0.5 0.5 5.0 0.5 0.5 5.8 0.5 0.5         !
ASSIGN (resid 23 and name hn)(resid 23 and name hd2#)
  1.0 0.3 1.0 2.6 0.5 0.5 4.8 0.5 0.5 7.0 0.4 0.4         ! + diff.6
ASSIGN (resid 24 and name hn)
          ((resid 17 and name hd1#) or (resid 23 and name hd1#))
  0.0 0.0 1.2 5.9 0.4 0.4 9.1 0.3 0.3 14.3 0.3 0.3        !+ 17d1
ASSIGN (resid 24 and name hn)(resid 23 and name hd2#)
  1.5 1.3 0.3 5.0 0.3 0.3 9.6 0.3 0.3 13.7 0.3 0.3        !
ASSIGN (resid 29 and name hn)(resid 23 and name hd1#)
  3.0 0.3 0.3 3.3 0.3 0.3 4.1 0.3 0.3 5.0 0.3 0.3         !
ASSIGN (resid 29 and name hn)(resid 23 and name hd2#)
  0.0 0.0 1.5 1.5 0.5 0.5 2.5 0.5 0.5 3.3 0.5 0.5         !
ASSIGN (resid 27 and name hd#)(resid 23 and name hd1#)
  0.3 0.3 1.3 1.0 1.0 0.3 4.5 2.0 0.3 5.5 0.5 0.5         !
ASSIGN (resid 27 and name hd#) (resid 23 and name hd2#)
  9.7 0.3 0.3 11.3 0.3 0.3 11.8 0.3 0.3 11.0 0.3 0.3      !--->? +7hd1#x
!24
ASSIGN (resid 24 and name hn)(resid 24 and name hb1)
  2.0 0.3 0.3 6.4 0.3 0.3 9.7 0.3 0.3 13.0 0.3 0.3        !
ASSIGN (resid 24 and name hn)
          ((resid 23 and name hb1) or (resid 24 and name hb2))
  10.1 0.3 0.3 22.2 0.3 0.3 30.6 0.3 0.3 33.0 0.3 0.3     !+23b1{+5b}
ASSIGN (resid 25 and name hn)(resid 24 and name hb1)
  3.0 1.0 1.3 4.6 0.5 0.5 4.2 0.5 0.5 4.0 0.5 0.5         ! +? max
ASSIGN (resid 25 and name hn)
          ((resid 23 and name hb1) or (resid 24 and name hb2))
  0.2 0.2 1.0 3.2 0.3 0.3 5.2 0.3 0.3 6.2 0.3 0.3         !+23b1 max
ASSIGN (resid 24 and name ha)(resid 24 and name hb1)
  1.0 1.0 1.0 1.0 1.0 1.0 8.0 0.3 0.3 12.0 0.3 0.3        !
ASSIGN (resid 24 and name ha)(resid 24 and name hb2)
  16.0 0.3 0.3 18.0 0.3 0.3 21.6 0.3 0.3 23.6 0.3 0.3     !
!25
ASSIGN (resid 25 and name hn)(resid 25 and name hb1)
  0.3 0.3 1.0 3.2 0.3 0.3 5.0 0.3 0.3 6.5 0.3 0.3         !
ASSIGN (resid 25 and name hn)(resid 25 and name hb2)
  5.6 0.3 0.3 8.4 0.3 0.3 9.8 0.3 0.3 10.0 0.3 0.3        !
ASSIGN (resid 26 and name hn)(resid 25 and name hb1)
  0.0 0.0 0.3 0.0 0.0 0.3 1.0 0.3 0.3 1.9 0.3 0.3         ! 0.
ASSIGN (resid 26 and name hn)(resid 25 and name hb2)
  2.2 0.3 0.3 3.7 0.3 0.3 3.5 0.3 0.3 3.5 0.3 0.3         !
ASSIGN (resid 27 and name hd#)(resid 25 and name hb1)
  3.0 1.0 2.0 6.2 0.8 0.8 7.7 0.5 0.5 9.7 0.5 0.5         !
ASSIGN (resid 27 and name hd#)(resid 25 and name hb2)
  4.5 0.5 0.6 9.2 1.5 0.5 8.2 0.5 1.0 9.1 0.5 0.5         !
!26
!27
ASSIGN ((resid 27 and name hn) or (resid 27 and name hd#))
          ((resid 27 and name hb1))
  0.0 0.0 1.0 19.8 0.3 0.3 25.7 0.3 0.3 43.4 0.3 0.3      ! +27d#
ASSIGN (resid 27 and name hn)
          ((resid 27 and name hb2) or (resid 27 and name hd#))
  22.0 0.3 0.3 27.0 0.3 0.3 31.8 0.3 0.3 43.5 0.3 0.3     ! +27d#
ASSIGN (resid 27 and name ha)(resid 27 and name hb1)
  9.5 0.3 0.3 15.1 0.3 0.3 19.5 0.3 0.3 20.2 0.3 0.3      ! add
ASSIGN (resid 27 and name ha)(resid 27 and name hb2)
  8.5 0.3 0.3 11.2 0.3 0.3 13.8 0.3 0.3 16.0 0.3 0.3      ! add
ASSIGN (resid 28 and name hn)(resid 27 and name hb1)
  6.0 0.3 0.3 8.7 0.3 0.3 10.6 0.3 0.3 11.0 0.3 0.3       !
ASSIGN (resid 28 and name hn)(resid 27 and name hb2)
  3.0 0.3 0.3 5.7 0.3 0.3 8.0 0.3 0.3 9.4 0.3 0.3         !
!28
ASSIGN (resid 28 and name hn)(resid 28 and name hb1)
  8.0 0.3 0.3 11.0 0.3 0.3 11.7 0.3 0.3 11.5 0.3 0.3      !
ASSIGN (resid 28 and name hn)(resid 28 and name hb2)
  3.5 0.3 0.3 5.6 0.3 0.3 7.1 0.3 0.3 7.9 0.3 0.3         !
ASSIGN (resid 28 and name ha)(resid 28 and name hb1)
  4.5 0.3 0.3 7.4 0.3 0.3 8.0 0.3 0.3 8.2 0.3 0.3         !
ASSIGN (resid 28 and name ha)(resid 28 and name hb2)
  14.5 0.5 0.5 16.0 0.5 0.5 16.0 0.5 0.5 12.0 0.8 0.8     !
ASSIGN (resid 29 and name hn)(resid 28 and name hb1)
  0.0 0.0 0.4 0.9 0.3 0.3 1.9 0.3 0.3 3.2 0.3 0.3         !
ASSIGN (resid 29 and name hn)(resid 28 and name hb2)
  3.4 0.3 0.3 4.1 0.3 0.3 4.5 0.3 0.3 5.4 0.3 0.3         !
!29

! LONG RANGE CONSTRAINTS
ASSIGN (resid 19 and name hn)(resid 3 and name ha)
  0.4 0.4 0.4 0.4 0.3 0.5 1.8 0.3 0.3 2.6 0.3 0.3         !
!long
ASSIGN (resid 9 and name ha)(resid 27 and name ha)
  16.0 0.3 0.3 22.6 0.3 0.3 30.8 0.3 0.3 30.4 0.3 0.3     !
ASSIGN (resid 10 and name hn)(resid 27 and name ha)
  6.9 0.3 0.3 10.0 0.3 0.3 11.0 0.3 0.3 12.7 0.3 0.3      !
!
ASSIGN (resid 21 and name hn)(resid 28 and name ha)
  0.4 0.4 0.4 0.9 0.3 0.3 1.5 0.3 0.3 2.0 0.3 0.3         !
ASSIGN (resid 21 and name hn)(resid 29 and name hn)
  8.7 0.3 0.3 13.7 0.3 0.3 15.5 0.3 0.3 15.1 0.3 0.3      !
ASSIGN (resid 23 and name hn)(resid 28 and name ha)
  1.8 0.3 0.3 3.2 0.3 0.3 4.2 0.3 0.3 4.5 0.3 0.3         !
ASSIGN (resid 23 and name hn)(resid 29 and name hn)
  0.0 0.0 0.3 0.0 0.0 0.3 0.0 0.0 0.3 0.5 0.3 0.3         !
ASSIGN (resid 23 and name hn)(resid 27 and name hn)
  1.8 0.4 0.4 1.8 0.4 0.4 2.8 0.4 0.4 3.0 0.4 0.4         !
!
ASSIGN (resid 22 and name hn)(resid 13 and name ha)
  4.9 0.3 0.3 11.0 0.3 0.3 14.6 0.3 0.3 16.4 0.3 0.3      !
!
!
ASSIGN (resid 2 and name hn)(resid 19 and name hg#) 
  0.8 0.5 0.5 2.8 0.4 0.4 4.2 0.4 0.4 5.1 0.4 0.4         ! one
!
ASSIGN (resid 21 and name hn)(resid 29 and name ha2)
  0.7 0.6 0.5 1.5 0.4 0.4 1.9 0.4 0.4 2.3 0.3 0.3         !
ASSIGN (resid 29 and name hn)(resid 21 and name ha)
  1.8 0.3 0.3 2.6 0.3 0.3 2.1 0.3 0.3 2.8 0.3 0.3         !

ASSIGN (resid 7 and name hn)
         ((resid 6 and name hg2#) or (resid 7 and name hd*))
  2.7 0.3 0.3 8.5 0.5 0.5 12.6 0.3 0.3 14.5 0.3 0.3       ! +7hd1#
ASSIGN (resid 7 and name hn)
          (resid 7 and (name hb# or name hg))
  26.7 0.6 0.6 41.4 0.6 0.6 47.5 0.6 0.6 51.2 0.6 0.6
ASSIGN (resid 8 and name hn)
          (resid 7 and (name hb# or name hg))
  1.5 0.9 0.8 4.4 0.8 0.8 6.5 0.6 0.6 8.5 0.6 0.6
ASSIGN (resid 6 and name ha)
          (resid 7 and (name hb# or name hg))
  6.0 2.0 2.4 6.0 2.0 2.4 8.0 3.0 2.3 11.0 1.0 1.0
ASSIGN (resid 7 and name hn)
          ((resid 6 and name hg2#) or (resid 7 and name hd*))
  2.7 0.3 1.2 9.0 1.0 1.5 14.9 0.8 0.8 17.5 0.8 0.8
ASSIGN (resid 8 and name hn)
          ((resid 6 and name hg2#) or (resid 7 and name hd*))
  2.0 1.0 0.8 4.7 0.6 0.6 8.5 0.6 0.6 10.0 0.6 0.6
ASSIGN (resid 27 and name hd#)
          ((resid 7 and name hd*) or (resid 23 and name hd2))
  24.7 0.6 0.6 28.6 0.6 0.6 30.6 0.6 0.6 30.0 0.6 0.6
ASSIGN (resid 27 and name he#)(resid  7 and name hd*)
 11.3 2.3 3.6 13.0 0.6 0.6 21.6 0.6 0.6 21.0 0.6 0.6
ASSIGN (resid 8 and name hn)(resid 8 and name hb#)
  5.1 0.6 0.6 6.5 0.6 0.6 7.0 0.6 0.6 7.4 0.6 0.6

ASSIGN (resid 9 and name hn)
          ((resid 8 and name hb#) or (resid 9 and name hb1))
  2.6 0.3 0.8 7.1 0.6 0.6 11.7 0.7 0.6 13.5 0.6 0.6

ASSIGN (resid 8 and name hn)(resid 8 and name hg#)
  1.6 0.4 0.9 3.7 0.8 0.6 3.3 0.8 0.6 5.3 0.8 0.8
ASSIGN (resid 9 and name hn)(resid 8 and name hg#)
  2.4 0.4 0.9 3.0 0.3 0.8 4.6 0.8 0.8 5.3 0.6 0.6

ASSIGN (resid 9 and name hn)
          ((resid 8 and name hb#) or (resid 9 and name hb1))
  2.6 0.3 0.3 6.7 0.3 0.3 10.0 0.3 0.3 11.6 0.3 0.3       ! +8b1

ASSIGN (resid 11 and name hn)
          (resid 11 and (name hb# or name hd#))
 13.2 0.6 0.7 18.8 0.8 0.8 22.1 0.7 0.7 23.2 0.6 0.6

ASSIGN (resid 12 and name hn)
          (resid 11 and (name hb# or name hd#))
  7.1 0.6 0.6 10.3 0.6 0.6 14.0 0.6 0.6 16.0 0.6 0.6

ASSIGN (resid 11 and name hn)(resid 11 and name hg#)
  5.1 1.2 1.4 7.5 0.8 0.8 9.3 0.9 0.9 11.5 0.9 0.9

ASSIGN (resid 12 and name hn)(resid 12 and name hb#)
  3.5 0.6 0.6 5.9 0.6 0.6 7.5 0.6 0.6 8.7 0.6 0.6
ASSIGN (resid 13 and name hn)(resid 12 and name hb#)
 13.0 0.6 0.6 20.0 0.6 0.6 23.9 0.6 0.6 25.0 0.6 0.6

ASSIGN (resid 14 and name hn)(resid 12 and name hb*)
  5.8 0.7 0.7 7.5 0.7 0.7 10.0 0.6 0.6 10.2 0.6 0.6

ASSIGN (resid 18 and name hn)
         ((resid 17 and name hb#) or (resid 18 and name hb#))
  17.6 2.3 1.3 29.8 2.3 1.3 35.1 1.3 1.3 39.6 1.3 1.3

ASSIGN (resid 2 and name hn)(resid 19 and name hb#)
  3.6 0.3 0.3 6.6 0.3 0.3 7.2 0.3 0.3 7.7 0.3 0.3         ! one

ASSIGN (resid 27 and name hn)(resid 26 and name ha#)
  8.7 2.3 1.3 10.9 2.3 2.3 12.3 2.4 0.7 15.2 2.4 1.4

ASSIGN (resid 25 and name hn)(resid 26 and name ha#)
  0.0 0.0 0.5 0.6 0.3 0.3 1.6 0.3 0.3 2.4 0.3 0.3         !

ASSIGN (resid 26 and name hn)(resid 26 and name ha#)
  29.5 0.6 0.6 37.4 0.6 0.6 59.0 0.6 0.6 65.7 0.6 0.6

ASSIGN (resid 29 and name hn)(resid 29 and name ha#)
  8.3 0.6 0.6 13.4 0.6 0.6 16.6 0.3 0.3 17.4 0.6 0.6
ASSIGN (resid 21 and name hn)(resid 29 and name ha#)
  0.7 0.6 0.5 1.5 0.4 0.4 1.9 0.4 0.4 2.3 0.3 0.3         !





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