Allowed Value | Details |
---|---|
kcal/mol*A2 | bonds; distance; radius of gyration; planarity |
kcal/mol*A4 | van der Waals |
kcal/mol*Hz2 | dipolar coupling; scalar couplings; T1/T2; CSA |
kcal/mol*ppm2 | Chemical shifts; pseudocontact shifts |
kcal/mol*rad2 | angle or dihedral angle |
Allowed Value | Details |
---|---|
kcal/mol*A2 | bonds; distance; radius of gyration; planarity |
kcal/mol*A4 | van der Waals |
kcal/mol*Hz2 | dipolar coupling; scalar couplings; T1/T2; CSA |
kcal/mol*ppm2 | Chemical shifts; pseudocontact shifts |
kcal/mol*rad2 | angle or dihedral angle |