============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 207lB1 CYS 201 HA 0.00 0.00 0.00 -0.75 4.58 3.83 207lB1 CYS 201 HB2 0.00 0.00 0.00 -0.04 2.97 2.93 207lB1 CYS 201 HB3 0.00 0.00 0.00 -0.04 2.97 2.93