============================================================================= 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 ============================================================================= 2b05H1 ARG 502 HA 0.00 -0.05 0.18 -0.75 4.34 3.71 2b05H1 ALA 503 H 0.00 0.04 0.09 -0.55 8.40 7.98 2b05H1 ALA 503 HA 0.00 -0.00 0.57 -0.75 4.34 4.15 2b05H1 ALA 503 HB3 0.00 0.00 0.08 -0.04 1.41 1.45 2b05H1 ILE 504 H 0.00 0.10 0.09 -0.55 8.25 7.89 2b05H1 ILE 504 HA 0.00 0.25 0.57 -0.75 4.18 4.24 2b05H1 ILE 504 HB 0.00 -0.05 0.10 -0.04 1.89 1.89 2b05H1 ILE 504 HG12 0.00 -0.04 -0.03 -0.04 1.49 1.39 2b05H1 ILE 504 HG13 0.00 0.15 -0.20 -0.04 1.21 1.12 2b05H1 ILE 504 HG23 0.00 0.01 -0.04 -0.04 0.93 0.86 2b05H1 ILE 504 HD13 0.00 -0.02 0.01 -0.04 0.88 0.83 2b05H1 LEU 506 HA 0.00 -0.02 0.20 -0.75 4.35 3.77 2b05H1 LEU 506 HB2 0.00 -0.00 0.11 -0.04 1.64 1.70 2b05H1 LEU 506 HB3 0.00 -0.01 0.08 -0.04 1.64 1.66 2b05H1 LEU 506 HG 0.00 -0.06 -0.16 -0.04 1.64 1.38 2b05H1 LEU 506 HD13 0.00 0.00 0.02 -0.04 0.93 0.91 2b05H1 LEU 506 HD23 0.00 -0.00 -0.02 -0.04 0.89 0.83 2b05H1 PRO 507 HA 0.00 0.12 0.30 -0.51 4.44 4.34 2b05H1 PRO 507 HB2 0.00 0.00 0.06 -0.04 2.28 2.30 2b05H1 PRO 507 HB3 0.00 0.02 0.06 -0.04 2.02 2.06 2b05H1 PRO 507 HG2 0.00 0.01 0.03 -0.04 2.03 2.04 2b05H1 PRO 507 HG3 0.00 0.04 0.01 -0.04 2.03 2.04 2b05H1 PRO 507 HD2 0.00 0.07 0.09 -0.04 3.68 3.80 2b05H1 PRO 507 HD3 0.00 0.15 0.06 -0.04 3.65 3.82