============================================================================= 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 ============================================================================= 2zl421 ALA 201 HA 0.00 -0.08 0.18 -0.75 4.34 3.68 2zl421 ALA 201 HB3 0.00 -0.01 0.00 -0.04 1.41 1.36 2zl421 ALA 202 H 0.00 0.05 0.08 -0.55 8.40 7.98 2zl421 ALA 202 HA 0.00 0.05 0.50 -0.75 4.34 4.13 2zl421 ALA 202 HB3 0.00 -0.00 0.08 -0.04 1.41 1.45 2zl421 ALA 203 H 0.00 0.18 0.25 -0.55 8.40 8.28 2zl421 ALA 203 HA 0.00 0.19 0.89 -0.75 4.34 4.67 2zl421 ALA 203 HB3 0.00 0.02 -0.03 -0.04 1.41 1.36 2zl421 ALA 204 H 0.00 0.29 0.05 -0.55 8.40 8.19 2zl421 ALA 204 HA 0.00 0.21 0.57 -0.75 4.34 4.37 2zl421 ALA 204 HB3 0.00 0.03 -0.02 -0.04 1.41 1.38