============================================================================= 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 ============================================================================= 2npvA10 GLU 2 H 0.00 0.54 0.26 -0.55 8.60 8.86 2npvA10 GLU 2 HA 0.00 -0.03 0.19 -0.75 4.29 3.70 2npvA10 GLU 2 HB2 0.00 0.04 0.04 -0.04 2.09 2.13 2npvA10 GLU 2 HB3 0.00 -0.02 0.06 -0.04 1.99 2.00 2npvA10 GLU 2 HG2 0.00 -0.02 0.03 -0.04 2.34 2.30 2npvA10 GLU 2 HG3 0.00 -0.09 -0.11 -0.04 2.34 2.10 2npvA10 LEU 3 H 0.00 0.11 0.06 -0.55 8.37 7.99 2npvA10 LEU 3 HA 0.00 0.14 0.59 -0.75 4.35 4.32 2npvA10 LEU 3 HB2 0.00 0.01 0.10 -0.04 1.64 1.71 2npvA10 LEU 3 HB3 0.00 0.05 0.07 -0.04 1.64 1.72 2npvA10 LEU 3 HG 0.00 0.23 -0.03 -0.04 1.64 1.79 2npvA10 LEU 3 HD13 0.00 -0.02 0.06 -0.04 0.93 0.93 2npvA10 LEU 3 HD23 0.00 0.00 0.00 -0.04 0.89 0.85 2npvA10 VAL 5 H 0.00 0.05 -0.01 -0.55 8.24 7.73 2npvA10 VAL 5 HA 0.00 -0.04 0.34 -0.75 4.13 3.67 2npvA10 VAL 5 HB 0.00 -0.04 -0.06 -0.04 2.12 1.97 2npvA10 VAL 5 HG13 0.00 -0.01 -0.06 -0.04 0.97 0.86 2npvA10 VAL 5 HG23 0.00 0.02 0.18 -0.04 0.95 1.11 2npvA10 ASP 6 H 0.00 0.26 -0.31 -0.55 8.40 7.81 2npvA10 ASP 6 HA 0.00 0.17 0.28 -0.75 4.63 4.33 2npvA10 ASP 6 HB2 0.00 0.23 0.17 -0.04 2.71 3.06 2npvA10 ASP 6 HB3 0.00 -0.04 -0.06 -0.04 2.70 2.56 2npvA10 LEU 8 H 0.00 0.11 -0.01 -0.55 8.37 7.92 2npvA10 LEU 8 HA 0.00 -0.02 0.00 -0.75 4.35 3.58 2npvA10 LEU 8 HB2 0.00 0.02 0.03 -0.04 1.64 1.65 2npvA10 LEU 8 HB3 0.00 0.02 -0.02 -0.04 1.64 1.60 2npvA10 LEU 8 HG 0.00 -0.01 -0.02 -0.04 1.64 1.57 2npvA10 LEU 8 HD13 0.00 -0.00 -0.00 -0.04 0.93 0.88 2npvA10 LEU 8 HD23 0.00 0.00 -0.01 -0.04 0.89 0.85