============================================================================= 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 ============================================================================= 1d0aH1 PRO 262 HA 0.00 -0.07 0.20 -0.51 4.44 4.05 1d0aH1 PRO 262 HB2 0.00 0.00 -0.12 -0.04 2.28 2.12 1d0aH1 PRO 262 HB3 0.00 -0.01 0.02 -0.04 2.02 1.99 1d0aH1 PRO 262 HG2 0.00 -0.02 -0.02 -0.04 2.03 1.95 1d0aH1 PRO 262 HG3 0.00 -0.01 -0.02 -0.04 2.03 1.96 1d0aH1 PRO 262 HD2 0.00 -0.01 0.04 -0.04 3.68 3.67 1d0aH1 PRO 262 HD3 0.00 -0.01 0.03 -0.04 3.65 3.63 1d0aH1 ILE 263 H 0.00 0.19 0.08 -0.55 8.25 7.97 1d0aH1 ILE 263 HA 0.00 0.15 0.87 -0.75 4.18 4.45 1d0aH1 ILE 263 HB 0.00 -0.03 0.08 -0.04 1.89 1.89 1d0aH1 ILE 263 HG12 0.00 0.06 -0.07 -0.04 1.49 1.44 1d0aH1 ILE 263 HG13 0.00 -0.08 -0.30 -0.04 1.21 0.79 1d0aH1 ILE 263 HG23 0.00 0.05 -0.09 -0.04 0.93 0.85 1d0aH1 ILE 263 HD13 0.00 -0.00 -0.03 -0.04 0.88 0.80 1d0aH1 GLN 264 H 0.00 0.11 0.09 -0.55 8.47 8.13 1d0aH1 GLN 264 HA 0.00 0.03 0.40 -0.75 4.36 4.04 1d0aH1 GLN 264 HB2 0.00 -0.01 0.05 -0.04 2.15 2.14 1d0aH1 GLN 264 HB3 0.00 0.09 0.07 -0.04 2.02 2.14 1d0aH1 GLN 264 HG2 0.00 -0.00 0.01 -0.04 2.40 2.36 1d0aH1 GLN 264 HG3 0.00 -0.01 0.05 -0.04 2.39 2.39 1d0aH1 GLN 264 HE21 0.00 -0.01 0.01 -0.04 6.97 6.93 1d0aH1 GLN 264 HE22 0.00 -0.01 0.00 -0.04 7.69 7.64 1d0aH1 GLU 265 H 0.00 0.06 0.18 -0.55 8.60 8.28 1d0aH1 GLU 265 HA 0.00 0.06 0.47 -0.75 4.29 4.07 1d0aH1 GLU 265 HB2 0.00 0.05 0.08 -0.04 2.09 2.18 1d0aH1 GLU 265 HB3 0.00 -0.01 0.14 -0.04 1.99 2.08 1d0aH1 GLU 265 HG2 0.00 -0.08 0.10 -0.04 2.34 2.31 1d0aH1 GLU 265 HG3 0.00 0.06 -0.26 -0.04 2.34 2.10 1d0aH1 GLU 266 H 0.00 0.10 0.07 -0.55 8.60 8.22 1d0aH1 GLU 266 HA 0.00 0.25 0.61 -0.75 4.29 4.40 1d0aH1 GLU 266 HB2 0.00 -0.01 0.09 -0.04 2.09 2.13 1d0aH1 GLU 266 HB3 0.00 0.02 0.06 -0.04 1.99 2.02 1d0aH1 GLU 266 HG2 0.00 0.05 -0.09 -0.04 2.34 2.25 1d0aH1 GLU 266 HG3 0.00 0.03 -0.05 -0.04 2.34 2.28