============================================================================= 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 ============================================================================= 2yvcD1 MET 7 HA 0.00 -0.08 0.24 -0.75 4.52 3.92 2yvcD1 ASP 8 H 0.00 0.21 0.15 -0.55 8.40 8.22 2yvcD1 ASP 8 HA 0.00 0.10 0.45 -0.75 4.63 4.43 2yvcD1 ILE 9 H 0.00 0.27 0.17 -0.55 8.25 8.13 2yvcD1 ILE 9 HA 0.00 0.13 0.82 -0.75 4.18 4.38 2yvcD1 THR 10 H 0.00 0.25 0.17 -0.55 8.28 8.16 2yvcD1 THR 10 HA 0.00 0.16 0.74 -0.75 4.39 4.54 2yvcD1 ASP 11 H 0.00 0.23 0.11 -0.55 8.40 8.19 2yvcD1 ASP 11 HA 0.00 0.12 0.98 -0.75 4.63 4.97 2yvcD1 ILE 12 H 0.00 0.09 0.07 -0.55 8.25 7.85 2yvcD1 ILE 12 HA 0.00 0.21 0.66 -0.75 4.18 4.30 2yvcD1 ASN 13 H 0.00 0.10 0.05 -0.55 8.53 8.13 2yvcD1 ASN 13 HA 0.00 0.20 0.42 -0.75 4.76 4.63