============================================================================= 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 ============================================================================= 3fv3P1 VAL 502 HA 0.00 -0.06 0.18 -0.75 4.13 3.50 3fv3P1 VAL 502 HB 0.00 -0.04 0.03 -0.04 2.12 2.07 3fv3P1 VAL 502 HG13 0.00 -0.00 0.03 -0.04 0.97 0.96 3fv3P1 VAL 502 HG23 0.00 -0.01 -0.07 -0.04 0.95 0.83 3fv3P1 VAL 503 H 0.00 0.19 0.02 -0.55 8.24 7.91 3fv3P1 VAL 503 HA 0.00 0.22 0.54 -0.75 4.13 4.14 3fv3P1 VAL 503 HB 0.00 -0.03 0.04 -0.04 2.12 2.09 3fv3P1 VAL 503 HG13 0.00 0.01 0.02 -0.04 0.97 0.95 3fv3P1 VAL 503 HG23 0.00 0.01 -0.20 -0.04 0.95 0.72 3fv3P1 ALA 505 HA 0.00 0.02 0.16 -0.75 4.34 3.76 3fv3P1 ALA 505 HB3 0.00 -0.00 0.03 -0.04 1.41 1.40