I have one more thing curious. Do you have most of assignments for sidechains in sparkyresonances.list? If so, that is because the experiments do not align well each other. You can use PINE-SPARKY.2 importer(ep) to create PINE labels with a little larger tolerances and use PINE-SPARKY extensions (ab, pp, pr, se).

On Jan 5, 2018 7:58 PM, Woonghee Lee woonghee791113@... wrote:

Dear Sohee,

Just a rule of thumb calculation can get you approximate numbers. It depends your sequence and how sensitive your spectra is. Besides that, I think the reason you dont get good assignments for sidechain is that you do not have any good way to get robust chemical shifts from hydrogens attached to any of the carbons including CA and CB in current algorithmic design. For instance, if you provide HBHA(CO)NH, PINE will assign HA/HB and it can match them to CA/CB, then eventually they can get other CX/HX attached from COSY/TOCSY experiments. If you cannot get that experiment, you can manually assign at least HA/HB and use Pre-assignment option, then that will work I assume.

Best,

Woonghee

On Jan 5, 2018 6:33 PM, lavender1326@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:

Dear Yoonghee,

calculated peaks means anticipated peaks.

(command: lt and pv) show exist list of peaks.

Id like to know expected number of peaks .

Regards,

Sohee