============================================================================= 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 ============================================================================= 2asuA1 CYS 468 HA 0.00 -0.10 0.21 -0.75 4.58 3.94 2asuA1 CYS 468 HB2 0.00 -0.04 0.03 -0.04 2.97 2.92 2asuA1 CYS 468 HB3 0.00 -0.01 0.05 -0.04 2.97 2.97 2asuA1 GLY 469 H 0.00 0.10 0.10 -0.55 8.43 8.08 2asuA1 GLY 469 HA2 0.00 -0.02 0.27 -0.51 4.01 3.74 2asuA1 GLY 469 HA3 0.00 0.08 0.14 -0.51 4.01 3.72 2asuA1 LYS 470 H 0.00 0.09 -0.14 -0.55 8.42 7.82 2asuA1 LYS 470 HA 0.00 0.15 0.84 -0.75 4.32 4.56 2asuA1 ARG 471 H 0.00 0.22 0.00 -0.55 8.46 8.13 2asuA1 ARG 471 HA 0.00 0.26 0.70 -0.75 4.34 4.54 2asuA1 ARG 471 HB2 0.00 0.02 -0.13 -0.04 1.90 1.75 2asuA1 ARG 471 HB3 0.00 0.02 0.04 -0.04 1.80 1.82 2asuA1 ARG 471 HG2 0.00 -0.00 0.03 -0.04 1.67 1.65 2asuA1 ARG 471 HG3 0.00 0.03 0.05 -0.04 1.67 1.71 2asuA1 ARG 471 HD2 0.00 -0.00 0.00 -0.04 3.22 3.18 2asuA1 ARG 471 HD3 0.00 0.01 -0.03 -0.04 3.22 3.16