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
	11698	1rvs	cing	1-original	2	XPLOR/CNS	distance	general distance	simple

# CARBON-NITROGEN DISTANCE RESTRAINTS IN CNS FORMAT
# FOR DETAILS SEE PRIMARY REFERENCE FOR DEPOSITED STRUCTURE AND
# JARONIEC,C.P.;MACPHEE,C.E.;ASTROF,N.S.;DOBSON,C.M.;
# GRIFFIN,R.G. PROC. NATL. ACAD. SCI. USA 2002, 99:16748-16753.
# AMINO ACID SEQUENCE: YTIAALLSPYS
# 1:Y105,2:T106,3:I107,4:A108,5:A109,6:L110,7:L111,8:S112,9:P113,10:Y114
# 11:S115

!tyr105 cb
assign (resid 1 and name cb) (resid 2 and name n) 3.3 0.33 0.33

!tyr105 cg
assign (resid 1 and name cg) (resid 1 and name n) 3.18 0.2 0.2
assign (resid 1 and name cg) (resid 2 and name n) 3.5 0.0 4.5

!thr106 cb
assign (resid 2 and name cb) (resid 3 and name n) 3.5 0.35 0.35

!thr106 cg
assign (resid 2 and name cg2) (resid 2 and name n) 3.6 0.36 0.36
assign (resid 2 and name cg2) (resid 3 and name n) 3.2 0.32 0.32

! i107 cb
assign (resid 3 and name cb)  (resid 4 and name n) 3.4 0.34 0.34

!i107 cg1
assign (resid 3 and name cg1) (resid 3 and name n) 3.1 0.31 0.31
assign (resid 3 and name cg1) (resid 4 and name n) 4.0 0.40 0.40

! i107 cg2
assign (resid 3 and name cg2) (resid 3 and name n) 3.8 0.38 0.38
assign (resid 3 and name cg2) (resid 4 and name n) 3.1 0.31 0.31

! i107 cd
assign (resid 3 and name cd1) (resid 3 and name n) 4.6 0.46 0.46
assign (resid 3 and name cd1) (resid 4 and name n) 5.7 0.57 0.57

! a108 cb
assign (resid 4 and name cb) (resid 5 and name n) 3.5 0.35 0.35

! ala109 cb
assign (resid 5 and name cb) (resid 6 and name n) 3.3 0.33 0.33

! leu110 cb
assign (resid 6 and name cb) (resid 7 and name n) 3.6 0.36 0.36

! leu110 cd1
assign (resid 6 and name cd1) (resid 6 and name n) 4.2 0.42 0.42
assign (resid 6 and name cd1) (resid 7 and name n) 3.4 0.34 0.34

!leu 111 cb
assign (resid 7 and name cb) (resid 8 and name n) 3.8 0.20 0.20

!leu 111 cg
assign (resid 7 and name cg) (resid 7 and name n) 3.0 0.30 0.30
assign (resid 7 and name cg) (resid 8 and name n) 4.6 0.46 0.46

! leu 111 cd1 
assign (resid 7 and name cd1) (resid 7 and name n) 3.5 0.0 4.5
assign (resid 7 and name cd1) (resid 8 and name n) 3.5 0.0 4.5

! leu 111 cd2
assign (resid 7 and name cd2) (resid 7 and name n) 3.2 0.32 0.32
assign (resid 7 and name cd2) (resid 8 and name n) 5.5 0.55 0.55

! pro 113 cb
assign (resid 9 and name cb) (resid 9 and name n) 2.4 0.24 0.24
assign (resid 9 and name cb) (resid 10 and name n) 3.7 0.37 0.37

! pro 113 cg
assign (resid 9 and name cg) (resid 9 and name n) 2.3 0.23 0.23
assign (resid 9 and name cg) (resid 10 and name n) 3.5 0.0 4.5

! pro 113 cd
assign (resid 9 and name cd) (resid 8 and name n) 3.2 0.32 0.32

! y 114 cg
assign (resid 10 and name cg) (resid 10 and name n) 2.8 0.0 5.2

! ala 108 co
assign (resid 4 and name c) (resid 6 and name n) 4.25 0.15 0.45

! leu 111 ca
assign (resid 7 and name ca) (resid 6 and name n) 4.56 0.12 0.62

! s112 co
assign (resid 8 and name c) (resid 10 and name n) 4.06 0.06 0.36

! s115 ca
assign (resid 11 and name ca) (resid 10 and name n) 5.0 0.5 1.8

Contact the webmaster for help, if required. Friday, May 3, 2024 11:15:34 PM GMT (wattos1)