============================================================================= 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 ============================================================================= 2zl4T1 ALA 201 HA 0.00 -0.10 0.19 -0.75 4.34 3.67 2zl4T1 ALA 201 HB3 0.00 -0.01 0.02 -0.04 1.41 1.37 2zl4T1 ALA 202 H 0.00 0.02 0.08 -0.55 8.40 7.96 2zl4T1 ALA 202 HA 0.00 0.01 0.40 -0.75 4.34 3.99 2zl4T1 ALA 202 HB3 0.00 -0.01 0.08 -0.04 1.41 1.44 2zl4T1 ALA 203 H 0.00 0.18 0.25 -0.55 8.40 8.28 2zl4T1 ALA 203 HA 0.00 0.16 0.79 -0.75 4.34 4.53 2zl4T1 ALA 203 HB3 0.00 0.03 -0.02 -0.04 1.41 1.38 2zl4T1 ALA 204 H 0.00 0.31 0.05 -0.55 8.40 8.21 2zl4T1 ALA 204 HA 0.00 0.20 0.58 -0.75 4.34 4.37 2zl4T1 ALA 204 HB3 0.00 0.02 -0.01 -0.04 1.41 1.38