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
	10266	1pft	cing	1-original	1	DSPACE	stereochemistry	prochirality

;  Pyroccocus furiosis TFB-NTD (Zn)
;  Obtained from E. coli strain BL21 containing the NTD recombinant gene
;  Amino acid sequence:
;  MVNKQ  KVCPA  CESAE  LIYDP  ERGEI  VCAKC  GYVIE  ENIID  MGPEW  RAFDA
;      5     10     15     20     25     30     35     40     45     50
;NOE DISTANCE CONSTRAINTS
;Strong 1.8 - 2.7
;Medium 1.8 - 3.3
;Weak 1.8 - 5.0
; add +0.5 for methyls 
;
;Chirality Definitions
; For nochiral, upfield resonance = pro R
def/nochiral cb[1]      ; Met
def/nochiral cb[2]      ; Val       
def/nochiral cb[3]      ; Asn
def/nochiral cb[4]      ; Lys
def/nochiral cb[5]      ; Gln
def/nochiral cb[6]      ; Lys 
;def/nochiral cb[7]     ; Val    upfield methyl =pro S
;def/nochiral cb[8]     ; Cys    upfield =pro S
;def/nochiral cb[9]     ; Pro    upfield hb=pro R
;cd[9]                  ; Pro    upfield hd=pro S
def/equiv hgr[9] hgs[9]
; ala[10]
;def/nochiral cb[11]     ; Cys    upfield hb=pro R 
def/nochiral cb[12]     ; Glu
;def/nochiral cb[13]     ; Ser   upfield hb=pro R
; ala[14]
;def/nochiral cb[15]     ; Glu upfield hb=pro R
;def/nochiral cb[16]     ; Leu upfield hb=pro R
;def/nochiral cb[16]     ; Leu upfield hb=pro S
; ile[17]               ; Ile  upfield hg=pro R
def/nochiral cb[18]     ; Tyr
;def/nochiral cb[19]     ; Asp   upfield hd=pro S
def/nochiral cb[20]    ; Pro    upfield hd=pro R
def/equiv hgr[20] hgs[20] 
def/equiv hbr[20] hbs[20] 
;def/nochiral cb[21]     ; Glu   upfield hb=pro R 
;def/nochiral cb[22]     ; Arg   upfield hb=pro R
def/equiv hgr[22] hgs[22]
;def/nochiral ca[23]    ; Gly    upfield =pro R
def/nochiral cb[24]     ; Glu    upfield hg= pro S
def/nochiral cg[24]     ; Glu
; ile[25]               ; Ile
;def/nochiral cg[25]     ; Ile
; Val[26]               ; Val    upfield methyl =pro S
;def/upfield cb[27]     ; Cys    upfield = pro S
; ala[28]               ; Ala
def/nochiral cb[29]     ; Lys
def/nochiral cb[30]     ; Cys
;def/nochiral ca[31]     ; Gly   upfield ha = pro R 
;def/nochiral cb[32]     ; Tyr   upfield hb = pro S
; Val[33]               ; Val  upfield methyl =pro R
; ile[34]               ; Ile  upfield methyl = mg2; md1 and mg1? overlap
; ile[34]               ; Ile upfield methyl = pro ?
def/nochiral cb[35]     ; Glu
def/nochiral cb[36]     ; Glu
def/nochiral cb[37]     ; Asn
; ile[38]               ; Ile
; ile[39]               ; Ile
def/nochiral cb[40]     ; Asp
def/nochiral cb[41]     ; Gln
def/nochiral ca[42]     ; Gly
def/nochiral cb[43]     ; Pro
def/nochiral cb[44]     ; Glu
def/nochiral cb[45]     ; Trp
; ala[47]               ; Ala
def/nochiral cb[48]     ; Phe
def/nochiral cb[49]     ; Asp
; ala[50]               ; Ala
;

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