NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
23692 2jxm cing 1-original 1 unknown chemical shift difference



! file: CSP_values.xpl
! storing residues with chemical shift perturbations (CSP) in store5-property, part of pcf.inp
! M.UBBINK 22.11.2007
! Prochlorothrix hollandica Pc wt data, Rinske Hulsker

!-------ENTER ALL ATOMS WITH CSP-----------

 vector do (store5=100) (atom "plas" 10 HN) 
 vector do (store5=100) (atom "plas" 11 HN) 
 vector do (store5=100) (atom "plas" 12 HN) 
 vector do (store5=100) (atom "plas" 33 HN) 
 vector do (store5=100) (atom "plas" 59 HN) 
 vector do (store5=100) (atom "plas" 63 HN) 
 vector do (store5=100) (atom "plas" 85 HN) 
 vector do (store5=100) (atom "plas" 86 HN) 
 vector do (store5=100) (atom "plas" 87 HN) 
 vector do (store5=100) (atom "plas" 88 HN) 
 vector do (store5=100) (atom "plas" 10 N) 
 vector do (store5=100) (atom "plas" 11 N) 
 vector do (store5=100) (atom "plas" 12 N) 
 vector do (store5=100) (atom "plas" 37 N) 
 vector do (store5=100) (atom "plas" 44 N) 
 vector do (store5=100) (atom "plas" 54 N) 
 vector do (store5=100) (atom "plas" 62 N) 
 vector do (store5=100) (atom "plas" 63 N) 
 vector do (store5=100) (atom "plas" 85 N) 
 vector do (store5=100) (atom "plas" 87 N) 
 vector do (store5=100) (atom "plas" 88 N) 
 vector do (store5=100) (atom "plas" 89 N) 
 

 
! file: CS_values.xpl
! storing paramagnetic shifts in store2-property, part of pcf.inp
! M.UBBINK 22.11.2007
! Prochlorothrix hollandica wt Pc data, Rinske Hulsker

 
!-------ENTER ALL ATOMS WITH POSITIVE PCS-----------

 vector do (store2=0.141) (atom "plas"  8 HN)
 vector do (store2=0.202) (atom "plas"  9 HN)
 vector do (store2=0.126) (atom "plas" 10 HN)
 vector do (store2=0.173) (atom "plas" 11 HN)
 vector do (store2=0.251) (atom "plas" 12 HN)
 vector do (store2=0.289) (atom "plas" 13 HN)
 vector do (store2=0.192) (atom "plas" 15 HN)
 vector do (store2=0.112) (atom "plas" 16 HN)
 vector do (store2=0.081) (atom "plas" 17 HN)
 vector do (store2=0.085) (atom "plas" 34 HN)
 vector do (store2=0.170) (atom "plas" 37 HN)
 vector do (store2=0.132) (atom "plas" 39 HN)
 vector do (store2=0.068) (atom "plas" 57 HN)
 vector do (store2=0.055) (atom "plas" 61 HN)
 vector do (store2=0.086) (atom "plas" 62 HN)
 vector do (store2=0.088) (atom "plas" 88 HN)
 vector do (store2=0.064) (atom "plas" 89 HN)
 vector do (store2=0.097) (atom "plas" 90 HN)
 vector do (store2=0.159) (atom "plas"  8 N)
 vector do (store2=0.157) (atom "plas"  9 N)
 vector do (store2=0.152) (atom "plas" 10 N)
 vector do (store2=0.183) (atom "plas" 11 N)
 vector do (store2=0.466) (atom "plas" 12 N)
 vector do (store2=0.500) (atom "plas" 13 N)
 vector do (store2=0.236) (atom "plas" 15 N)
 vector do (store2=0.102) (atom "plas" 16 N)
 vector do (store2=0.114) (atom "plas" 17 N)
 vector do (store2=0.090) (atom "plas" 32 N)
 vector do (store2=0.122) (atom "plas" 34 N)
 vector do (store2=0.177) (atom "plas" 37 N)
 vector do (store2=0.188) (atom "plas" 39 N)
 vector do (store2=0.110) (atom "plas" 57 N)
 vector do (store2=0.124) (atom "plas" 61 N)
 vector do (store2=0.126) (atom "plas" 62 N)
 vector do (store2=0.120) (atom "plas" 89 N)
 vector do (store2=0.136) (atom "plas" 90 N)
 


!-------ENTER ALL ATOMS WITH NEGATIVE PCS-----------

!-------ENTER ALL OBSERVED ATOMS WITH NO PCS-----------

vector do (store4=100.0) (atom "plas" 2 N)
vector do (store4=100.0) (atom "plas" 2 HN)
vector do (store4=100.0) (atom "plas" 3 N)
vector do (store4=100.0) (atom "plas" 3 HN)
vector do (store4=100.0) (atom "plas" 20 N)
vector do (store4=100.0) (atom "plas" 20 HN)
vector do (store4=100.0) (atom "plas" 21 N)
vector do (store4=100.0) (atom "plas" 21 HN)
vector do (store4=100.0) (atom "plas" 22 N)
vector do (store4=100.0) (atom "plas" 22 HN)
vector do (store4=100.0) (atom "plas" 23 N)
vector do (store4=100.0) (atom "plas" 23 HN)
vector do (store4=100.0) (atom "plas" 24 N)
vector do (store4=100.0) (atom "plas" 24 HN)
vector do (store4=100.0) (atom "plas" 25 N)
vector do (store4=100.0) (atom "plas" 25 HN)
vector do (store4=100.0) (atom "plas" 26 N)
vector do (store4=100.0) (atom "plas" 26 HN)
vector do (store4=100.0) (atom "plas" 27 N)
vector do (store4=100.0) (atom "plas" 27 HN)
vector do (store4=100.0) (atom "plas" 28 N)
vector do (store4=100.0) (atom "plas" 28 HN)
vector do (store4=100.0) (atom "plas" 29 N)
vector do (store4=100.0) (atom "plas" 29 HN)
vector do (store4=100.0) (atom "plas" 30 N)
vector do (store4=100.0) (atom "plas" 30 HN)
vector do (store4=100.0) (atom "plas" 31 N)
vector do (store4=100.0) (atom "plas" 31 HN)
vector do (store4=100.0) (atom "plas" 33 N)
vector do (store4=100.0) (atom "plas" 33 HN)
vector do (store4=100.0) (atom "plas" 40 N)
vector do (store4=100.0) (atom "plas" 40 HN)
vector do (store4=100.0) (atom "plas" 42 N)
vector do (store4=100.0) (atom "plas" 43 N)
vector do (store4=100.0) (atom "plas" 43 HN)
vector do (store4=100.0) (atom "plas" 44 N)
vector do (store4=100.0) (atom "plas" 44 HN)
vector do (store4=100.0) (atom "plas" 45 N)
vector do (store4=100.0) (atom "plas" 45 HN)
vector do (store4=100.0) (atom "plas" 48 N)
vector do (store4=100.0) (atom "plas" 48 HN)
vector do (store4=100.0) (atom "plas" 49 N)
vector do (store4=100.0) (atom "plas" 49 HN)
vector do (store4=100.0) (atom "plas" 50 N)
vector do (store4=100.0) (atom "plas" 50 HN)
vector do (store4=100.0) (atom "plas" 51 N)
vector do (store4=100.0) (atom "plas" 51 HN)
vector do (store4=100.0) (atom "plas" 52 N)
vector do (store4=100.0) (atom "plas" 52 HN)
vector do (store4=100.0) (atom "plas" 54 N)
vector do (store4=100.0) (atom "plas" 54 HN)
vector do (store4=100.0) (atom "plas" 55 N)
vector do (store4=100.0) (atom "plas" 55 HN)
vector do (store4=100.0) (atom "plas" 56 N)
vector do (store4=100.0) (atom "plas" 56 HN)
vector do (store4=100.0) (atom "plas" 58 N)
vector do (store4=100.0) (atom "plas" 58 HN)
vector do (store4=100.0) (atom "plas" 59 N)
vector do (store4=100.0) (atom "plas" 59 HN)
vector do (store4=100.0) (atom "plas" 68 N)
vector do (store4=100.0) (atom "plas" 68 HN)
vector do (store4=100.0) (atom "plas" 69 N)
vector do (store4=100.0) (atom "plas" 69 HN)
vector do (store4=100.0) (atom "plas" 70 N)
vector do (store4=100.0) (atom "plas" 70 HN)
vector do (store4=100.0) (atom "plas" 71 N)
vector do (store4=100.0) (atom "plas" 71 HN)
vector do (store4=100.0) (atom "plas" 72 N)
vector do (store4=100.0) (atom "plas" 72 HN)
vector do (store4=100.0) (atom "plas" 73 N)
vector do (store4=100.0) (atom "plas" 73 HN)
vector do (store4=100.0) (atom "plas" 74 N)
vector do (store4=100.0) (atom "plas" 74 HN)
vector do (store4=100.0) (atom "plas" 76 N)
vector do (store4=100.0) (atom "plas" 76 HN)
vector do (store4=100.0) (atom "plas" 77 N)
vector do (store4=100.0) (atom "plas" 77 HN)
vector do (store4=100.0) (atom "plas" 78 N)
vector do (store4=100.0) (atom "plas" 78 HN)
vector do (store4=100.0) (atom "plas" 79 N)
vector do (store4=100.0) (atom "plas" 79 HN)
vector do (store4=100.0) (atom "plas" 80 N)
vector do (store4=100.0) (atom "plas" 82 N)
vector do (store4=100.0) (atom "plas" 82 HN)
vector do (store4=100.0) (atom "plas" 93 N)
vector do (store4=100.0) (atom "plas" 93 HN)
vector do (store4=100.0) (atom "plas" 94 N)
vector do (store4=100.0) (atom "plas" 94 HN)
vector do (store4=100.0) (atom "plas" 95 N)
vector do (store4=100.0) (atom "plas" 95 HN)
vector do (store4=100.0) (atom "plas" 96 N)
vector do (store4=100.0) (atom "plas" 96 HN)
vector do (store4=100.0) (atom "plas" 97 N)
vector do (store4=100.0) (atom "plas" 97 HN)


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, October 31, 2020 5:23:07 PM GMT (wattos1)