============================================================================= 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 ============================================================================= 1c4bA9 CYS 1 H 0.00 0.00 0.00 -0.55 8.50 7.96 1c4bA9 CYS 1 HA 0.00 0.00 0.01 -0.75 4.58 3.84 1c4bA9 CYS 1 HB2 0.00 -0.00 0.00 -0.04 2.97 2.93 1c4bA9 CYS 1 HB3 0.00 -0.00 0.00 -0.04 2.97 2.93 1c4bA9 GLY 7 H 0.00 0.11 0.00 -0.55 8.43 7.99 1c4bA9 GLY 7 HA2 0.00 -0.00 0.01 -0.51 4.01 3.51 1c4bA9 GLY 7 HA3 0.00 0.00 0.01 -0.51 4.01 3.51