============================================================================= 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 ============================================================================= 2zl411 ALA 201 HA 0.00 -0.11 0.21 -0.75 4.34 3.68 2zl411 ALA 201 HB3 0.00 -0.01 0.00 -0.04 1.41 1.37 2zl411 ALA 202 H 0.00 0.03 0.08 -0.55 8.40 7.96 2zl411 ALA 202 HA 0.00 0.02 0.42 -0.75 4.34 4.02 2zl411 ALA 202 HB3 0.00 -0.00 0.08 -0.04 1.41 1.44 2zl411 ALA 203 H 0.00 0.16 0.25 -0.55 8.40 8.26 2zl411 ALA 203 HA 0.00 0.18 0.86 -0.75 4.34 4.62 2zl411 ALA 203 HB3 0.00 0.02 -0.01 -0.04 1.41 1.38 2zl411 ALA 204 H 0.00 0.28 0.05 -0.55 8.40 8.19 2zl411 ALA 204 HA 0.00 0.21 0.61 -0.75 4.34 4.41 2zl411 ALA 204 HB3 0.00 0.02 -0.02 -0.04 1.41 1.38