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, April 20, 2024 12:01:13 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	23692	2jxm	cing	1-original	1	unknown	chemical shift difference