Hello Chris-- > > I understand that NOE assignments should be formatted in the "assign > ... " syntax in a .tbl file. But how does one generate the actual > distance values themselves as well as the lower and upper bound > limits for each assignment?
The distances can be carefully calibrated as in exact NOEs. On the other hand, a more empirical approach is often used: Distance bounds were classified into four ranges, 1.8-2.7, 1.8-3.3, 1.8-5.0, and 1.8- 6.0 Å,5 corresponding to strong (the most intense 20%), medium (the next most intense 30%), weak (the following most intense 30%), and very weak (the remaining 20%) cross-peaks. In addition, a correction of 0.5 Å was added to the upper bounds of restraints involving methyl protons to account for their higher apparent intensities in the spectra. [from J. Am. Chem. Soc. 126, 6258-6273 (2004)] best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
