I didnt put the things clearly in my previous mail. The format which I put in my previous mail is actually the output file format from Sparky on using xe command towrite chemical shifts asthe xeasy peak list from the Sparky HSQC spectrum. Another below mentioned file format outputcan be generatedon using xe commandoption and further using writing peaksoptionwhich is alsoquite different from therequired xeasy file format.
# Number of dimensions 2 1 127.924 8.248 1 U 3.64e+007 0 e 0 86 85 2 127.472 8.164 1 U 4.45e+007 0 e 0 138 137 3 126.856 8.051 1 U 3.09e+007 0 e 0 156 155 4 126.699 8.230 1 U 3.04e+007 0 e 0 52 51 5 126.511 7.609 1 U 3.98e+007 0 e 0 210 209 6 125.278 8.350 1 U 2.86e+006 0 e 0 154 153
Required Xeasy format
#Number of dimensions 2 #INAME 1 1H #INAME 2 15N
269 8.739 117.280 1 U 2.434e+03 0.00e+00 m 0 0 0 0 0 270 8.127 131.974 1 U 1.928e+03 0.00e+00 m 0 0 0 0 0 271 8.694 131.717 1 U 2.799e+03 0.00e+00 m 0 0 0 0 0
Looking forward for your comment
Regards
Arun
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On Wednesday, November 26, 2014 9:28 PM, woonghee791113@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
Hi Arun,
Have you tried two-letter-code xe in sparky? You need to keep a full project opened to acquire correct matching chemical shift prot file peak list file though.