============================================================================= 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 ============================================================================= 2zl4R1 ALA 201 HA 0.00 -0.06 0.13 -0.75 4.34 3.66 2zl4R1 ALA 201 HB3 0.00 -0.01 0.11 -0.04 1.41 1.47 2zl4R1 ALA 202 H 0.00 0.03 0.08 -0.55 8.40 7.96 2zl4R1 ALA 202 HA 0.00 -0.01 0.41 -0.75 4.34 3.98 2zl4R1 ALA 202 HB3 0.00 -0.00 0.08 -0.04 1.41 1.45 2zl4R1 ALA 203 H 0.00 0.13 0.24 -0.55 8.40 8.22 2zl4R1 ALA 203 HA 0.00 0.20 0.82 -0.75 4.34 4.60 2zl4R1 ALA 203 HB3 0.00 0.02 0.00 -0.04 1.41 1.39 2zl4R1 ALA 204 H 0.00 0.28 0.06 -0.55 8.40 8.19 2zl4R1 ALA 204 HA 0.00 0.20 0.57 -0.75 4.34 4.36 2zl4R1 ALA 204 HB3 0.00 0.03 -0.02 -0.04 1.41 1.38