============================================================================= 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 ============================================================================= 1a09C1 GLU 102 H 0.00 0.06 0.00 -0.55 8.60 8.12 1a09C1 GLU 102 HA 0.00 0.00 0.00 -0.75 4.29 3.54 1a09C1 GLU 102 HB2 0.00 0.00 0.00 -0.04 2.09 2.05 1a09C1 GLU 102 HB3 0.00 0.00 0.00 -0.04 1.99 1.95 1a09C1 GLU 102 HG2 0.00 0.00 0.00 -0.04 2.34 2.30 1a09C1 GLU 102 HG3 0.00 0.00 0.00 -0.04 2.34 2.30