============================================================================= 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 ============================================================================= 2z8pB1 GLY 180 HA2 0.00 0.01 0.18 -0.51 4.01 3.69 2z8pB1 GLY 180 HA3 0.00 -0.03 0.16 -0.51 4.01 3.64 2z8pB1 GLU 181 H 0.00 0.20 0.06 -0.55 8.60 8.32 2z8pB1 GLU 181 HA 0.00 0.18 0.70 -0.75 4.29 4.42 2z8pB1 GLU 181 HB2 0.00 -0.01 0.10 -0.04 2.09 2.14 2z8pB1 GLU 181 HB3 0.00 -0.02 0.19 -0.04 1.99 2.12 2z8pB1 GLU 181 HG2 0.00 0.04 -0.06 -0.04 2.34 2.27 2z8pB1 GLU 181 HG3 0.00 -0.03 -0.13 -0.04 2.34 2.14 2z8pB1 ALA 182 H 0.00 0.18 -0.31 -0.55 8.40 7.72 2z8pB1 ALA 182 HA 0.00 0.12 0.43 -0.75 4.34 4.14 2z8pB1 ALA 182 HB3 0.00 0.02 -0.06 -0.04 1.41 1.32 2z8pB1 VAL 184 HA 0.00 -0.07 0.18 -0.75 4.13 3.49 2z8pB1 VAL 184 HB 0.00 0.03 0.01 -0.04 2.12 2.11 2z8pB1 VAL 184 HG13 0.00 -0.04 -0.03 -0.04 0.97 0.85 2z8pB1 VAL 184 HG23 0.00 0.03 -0.43 -0.04 0.95 0.50 2z8pB1 ALA 186 HA 0.00 -0.01 0.19 -0.75 4.34 3.76 2z8pB1 ALA 186 HB3 0.00 -0.02 0.04 -0.04 1.41 1.39