NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
26325 2kid 16270 cing 1-original 1 XPLOR/CNS distance NOE simple


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!For HN 2.9/3.5/5.0
!For CH 2.7/3.3/5.0
!methyls add 0.5
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!



!A34 to PRO !(no strong NOEs to HA)
assign (resid 34   and name HB#)    (resid 703 and name HB#) 2.00 0.20 1.20  ! S SOLID MAY 3DINTER+3D +NEW3DINTER
!assign (resid 34   and name HB#)    (resid 703 and name HG#) 2.00 0.20 1.00  ! S
assign (resid 34   and name HB#)    (resid 703 and name HA)  2.00 0.20 1.80  ! M SOLID MAY 3DINTER+3D+ NEW3DINTER
assign (resid 34   and name HB#)    (resid 704 and name HB#) 2.00 0.20 1.80  ! NEW3DINTER

!L39 to ALA
assign (resid 39    and name HD*)       (resid 704 and name HB#)        2.00 0.20 1.20 ! S SOLID MAY 2D FILT + NEW3DINTER
assign (resid 39    and name HD*)       (resid 704 and name HA)         2.00 0.20 1.80 ! M SOLID MAY 2D FILT + NEW3DINTER
assign (resid 39    and name HD*)       (resid 704 and name HN)         2.00 0.20 2.00 ! M SOLID MAY 2D FILTER

!ALA46 to PRO
assign (resid 46   and name HA)    (resid 703 and name HB#) 2.00 0.20 1.80  ! M SOLID MAY 3D + 3DNEWINTER
assign (resid 46   and name HB#)    (resid 703 and name HB#) 2.00 0.20 3.50  ! W 3DNEWINTER
assign (resid 46   and name HB#)    (resid 703 and name HD#) 2.00 0.20 1.80  ! M 3DNEWINTER
!assign (resid 46   and name HA)    (resid 703 and name HG#) 2.00 0.20 1.80  ! M  check later MAY

!ALA60 to PRO
assign (resid 60    and name HB*)    (resid 703 and name HG#) 2.00 0.20 1.20 ! SOLID MAY ALLDATASETS   
assign (resid 60    and name HB*)    (resid 703 and name HB#) 2.00 0.20 3.50 ! SOLID MAY 3DINTERMOL
!!assign (resid 60   and name HB*)    (resid 704 and name HA)         2.00 0.20 3.00  ! M !OK ? 4/23
!assign (resid 61   and name HN)    (resid 704 and name HB#) 2.00 0.20 3.0   !OL with A60HB


!PRO 105 to LEU RTC
assign (resid 105    and name HA)       (resid 702 and name HD*)        2.00 0.20 1.20 ! S MAY SOLID 3D +3DInter
!Another weaker peak to HD
assign (resid 105    and name HA)       (resid 702 and name HB#)        2.00 0.20 3.00 ! W MAY SOLID FROM 3DINTER 
assign (resid 105    and name HA)       (resid 702 and name HG)         2.00 0.20 3.00 ! W MAY SOLID FROM 3DINTER 
assign (resid 105    and name HB#)      (resid 702 and name HD*)        2.00 0.20 3.50 ! W MAY SOLID 3D + 3DInter

!THR 106 to LEUm (noes to HD AND HG check this later, the HN noe to LHD is not correct)
!no intermols from alpha from 3dinter
!assign (resid 106    and name HA)       (resid 702 and name HD*)        2.00 0.20 2.00 ! In 3D-C but OL  

!ASP107 (HN HAS UNASS NOES; HB solid to 110 and 103. Also to Leu HD?)
assign (resid 107   and name HN)        (resid 702 and name HD*)        2.00 0.20 1.4   ! S MAY 3DN + 3DINTER 
assign (resid 107   and name HN)        (resid 702 and name HG)         2.00 0.20 1.3   ! M MAY 3DN +?Inter
!real?? in 3dnewinter
!assign (resid 107   and name HB#)       (resid 702 and name HD*)       2.00 0.20 2.00  !RTC Val103MET?

!VAL 108 to LEU RTC 
assign (resid 108   and name HA)        (resid 702 and name HD*)        2.00 0.20 1.20 !3D Inter S RTC SOLID MAY2
assign (resid 108   and name HA)        (resid 702 and name HB#)        2.00 0.20 1.30 !3D Inter M RTC SOLID MAY2minus
assign (resid 108   and name HA)        (resid 702 and name HG)         2.00 0.20 0.70 !3D Inter S RTC SOLID MAY2
!possible noes from Hb of V108
!HG may show to CBZ and HG
!Although one HG is OL it also shows weak to CBZ

!reclassed as med
assign (resid 108   and name HN)        (resid 702 and name HD*)        2.00 0.20 3.0   ! M SOLID MAY 3DN
assign (resid 108   and name HN)        (resid 702 and name HG)         2.00 0.20 1.5   ! M SOLID MAY 3DN
!didn't see to Leu HN


!GLY 109  to LEU RTC
assign (resid 109   and name HN)        (resid 702 and name HD*)        2.00 0.20 3.0   ! W SOLID MAY 3DN
!assign (resid 109   and name HN)        (resid 702 and name HB#)        2.00 0.20 3.0   ! W


!VAL 110 to LEU 702 alot of OL Added back 5/6
assign (resid 110   and name HB)       (resid 702 and name HD*)         2.0 0.2 1.8 !M NEW3DINTER
assign (resid 110   and name HG*)       (resid 702 and name HG)         2.0 0.2 1.2 !S NEW3DINTER
assign (resid 110   and name HG*)       (resid 702 and name HB#)        2.0 0.2 3.5 !W NEW3DINTER
assign (resid 110   and name HG*)       (resid 702 and name HD*)        2.0 0.2 1.3 !S NEW3DINTER
assign (resid 110   and name HG*)       (resid 703 and name HD#)        2.0 0.2 3.5 !W NEW3DINTER
!HN??
!assign (resid 110   and name HA)       (resid 702 and name HB#)         2.0 0.2 3.0
!assign (resid 110   and name HA)       (resid 702 and name HG)          2.0 0.2 5.0  !Changed on 080906 from 2.0 0.2 0.7 Tom
!assign (resid 110   and name HN)        (resid 702 and name HD*)        2.00 0.20 1.4   ! S
!assign (resid 110   and name HN)        (resid 702 and name HB#)        2.00 0.20 3.0   ! S !Changed from 2.00 0.20 1.4 Tom
!assign (resid 110   and name HG*)        (resid 703 and name HD#)        2.00 0.20 1.8   !S

!LEU 111
!NOES TO CBZ
!LEU 111 contacts a peak at 7.4 (can only be CBZ?)
!assign (resid 111    and name HD*)       (resid 702 and name HB*)        2.00 0.20 1.50 !
!NEEDS TO BE ADDED
!LEU 111 to LEU 702
!assign (resid 111   and name HN)       (resid 702 and name HD*)        2.00 0.20 1.40 !Strong

!LEU111 to PRO (Added 2/07)
assign (resid 111   and name HD*)    (resid 703 and name HD#) 2.00 0.20 1.30 ! S NEW3DINTER     
assign (resid 111   and name HD*)    (resid 702 and name HA)  2.00 0.20 1.30 ! S NEW3DINTER     
assign (resid 111   and name HD*)    (resid 703 and name HG)   2.00 0.20 1.20 ! S Only in 3dInter     
!assign (resid 111   and name HG*)    (resid 703 and name HD#) 2.00 0.20 3.50 ! W Added on 031108
!assign (resid 111   and name HN)    (resid 702 and name HD*)        2.00 0.20 3.0   ! S !Changed from 2.00 0.20 1.4 Tom
!ssign (resid 111   and name HN)    (resid 702 and name HB#)        2.00 0.20 4.0   ! W

!ILE124 to PRO (maybe to Ala?)
assign (resid 124   and name HD1*)    (resid 702 and name HA)  2.00 0.20 1.80 ! SOLID MAY 3DINTER+2D+NEW3DINTER    
assign (resid 124   and name HD1*)    (resid 703 and name HD#) 2.00 0.20 1.80 ! SOLID MAY 3DINTER+2D+NEW3DINTER
assign (resid 124   and name HD1*)    (resid 703 and name HG)   2.00 0.20 1.80 ! SOLID MAY 3DINTER+2D+NEW3DINTER
assign (resid 124   and name HG2*)    (resid 703 and name HD#) 2.00 0.20 1.80 ! M NEW3DINTER
assign (resid 124   and name HG2*)    (resid 703 and name HG)   2.00 0.20 1.20 ! S NEW3DINTER

!W136 RTC
assign (resid 136    and name HE1)       (resid 705 and name HG2#)      3.00 0.20 0.40 !RTC
assign (resid 136    and name HE1)       (resid 705 and name HA)        3.00 0.20 2.50 !RTC 
assign (resid 136    and name HE1)       (resid 705 and name HB)        3.00 0.20 1.50 !RTC

!R139 RTC
assign (resid 139   and name HE)    (resid 702 and name HD*) 2.00 0.20 1.50  ! M
assign (resid 139   and name HE)    (resid 702 and name HG)   2.00 0.20 3.50  ! W
assign (resid 139   and name HD#)    (resid 702 and name HD*) 2.00 0.20 3.00  ! W



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