============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 13 0.840 -0.918 -7.985 1.580 -99.200 -91.000 PHE 22 1.000 -1.687 -0.584 -3.004 -99.200 -91.000 TRP 24 1.040 2.014 -10.095 -5.825 -99.200 -91.000 TRP6 24 1.020 3.075 -11.978 -4.880 -99.200 -91.000 HIS 31 0.900 -0.562 4.369 -2.676 -99.200 -91.000 HIS 35 0.900 -0.667 8.075 0.089 -99.200 -91.000 HIS 40 0.900 -8.496 16.860 3.509 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA5 GLY 1 HA2 -0.00 -0.07 0.16 -0.51 4.01 3.58 2eovA5 GLY 1 HA3 -0.01 -0.01 0.12 -0.51 4.01 3.60 2eovA5 SER 2 H -0.00 0.09 0.04 -0.55 8.46 8.04 2eovA5 SER 2 HA -0.00 0.05 0.42 -0.75 4.49 4.21 2eovA5 SER 2 HB2 -0.00 -0.01 0.07 -0.04 3.95 3.97 2eovA5 SER 2 HB3 -0.00 0.01 0.13 -0.04 3.93 4.02 2eovA5 SER 3 H -0.01 0.37 0.40 -0.55 8.46 8.68 2eovA5 SER 3 HA -0.01 0.09 0.66 -0.75 4.49 4.48 2eovA5 SER 3 HB2 -0.01 0.10 -0.11 -0.04 3.95 3.90 2eovA5 SER 3 HB3 -0.01 -0.08 0.08 -0.04 3.93 3.89 2eovA5 GLY 4 H -0.01 0.12 0.12 -0.55 8.43 8.12 2eovA5 GLY 4 HA2 -0.01 0.00 0.56 -0.51 4.01 4.06 2eovA5 GLY 4 HA3 -0.01 0.04 0.32 -0.51 4.01 3.85 2eovA5 SER 5 H -0.01 0.05 0.22 -0.55 8.46 8.17 2eovA5 SER 5 HA -0.01 0.21 0.66 -0.75 4.49 4.59 2eovA5 SER 5 HB2 -0.01 -0.08 0.14 -0.04 3.95 3.96 2eovA5 SER 5 HB3 -0.01 -0.01 -0.01 -0.04 3.93 3.86 2eovA5 SER 6 H -0.01 -0.03 0.09 -0.55 8.46 7.97 2eovA5 SER 6 HA -0.01 -0.01 0.37 -0.75 4.49 4.09 2eovA5 SER 6 HB2 -0.01 0.02 0.04 -0.04 3.95 3.97 2eovA5 SER 6 HB3 -0.01 -0.02 0.15 -0.04 3.93 4.01 2eovA5 GLY 7 H -0.01 0.16 0.26 -0.55 8.43 8.30 2eovA5 GLY 7 HA2 -0.00 -0.01 0.28 -0.51 4.01 3.77 2eovA5 GLY 7 HA3 -0.01 0.18 0.48 -0.51 4.01 4.16 2eovA5 THR 8 H -0.00 0.17 0.10 -0.55 8.28 7.99 2eovA5 THR 8 HA -0.01 0.00 0.52 -0.75 4.39 4.15 2eovA5 THR 8 HB 0.00 0.03 0.20 -0.04 4.32 4.51 2eovA5 THR 8 HG23 -0.00 0.00 -0.09 -0.04 1.22 1.09 2eovA5 GLY 9 H -0.01 0.15 0.27 -0.55 8.43 8.30 2eovA5 GLY 9 HA2 -0.01 0.22 0.71 -0.51 4.01 4.43 2eovA5 GLY 9 HA3 -0.01 0.00 0.30 -0.51 4.01 3.79 2eovA5 GLU 10 H -0.02 0.07 0.13 -0.55 8.60 8.24 2eovA5 GLU 10 HA -0.03 0.00 0.33 -0.75 4.29 3.84 2eovA5 GLU 10 HB2 -0.05 0.10 -0.24 -0.04 2.09 1.85 2eovA5 GLU 10 HB3 -0.08 0.02 0.21 -0.04 1.99 2.10 2eovA5 GLU 10 HG2 -0.03 -0.08 -0.03 -0.04 2.34 2.16 2eovA5 GLU 10 HG3 -0.04 0.02 -0.00 -0.04 2.34 2.27 2eovA5 LYS 11 H -0.00 -0.00 -0.36 -0.55 8.42 7.50 2eovA5 LYS 11 HA 0.08 0.29 1.03 -0.75 4.32 4.97 2eovA5 LYS 11 HB2 0.08 0.06 -0.20 -0.04 1.87 1.77 2eovA5 LYS 11 HB3 0.02 0.04 -0.43 -0.04 1.79 1.38 2eovA5 LYS 11 HG2 -0.00 -0.16 -0.16 -0.04 1.46 1.10 2eovA5 LYS 11 HG3 0.01 -0.00 0.02 -0.04 1.46 1.46 2eovA5 LYS 11 HD2 -0.03 -0.01 -0.06 -0.04 1.69 1.55 2eovA5 LYS 11 HD3 -0.04 0.06 -0.24 -0.04 1.68 1.42 2eovA5 LYS 11 HE2 -0.02 0.16 -0.07 -0.04 2.99 3.02 2eovA5 LYS 11 HE3 -0.02 -0.16 -0.05 -0.04 2.99 2.72 2eovA5 PRO 12 HA -0.04 0.06 0.36 -0.51 4.44 4.30 2eovA5 PRO 12 HB2 -0.26 0.00 0.07 -0.04 2.28 2.05 2eovA5 PRO 12 HB3 -0.09 -0.01 0.07 -0.04 2.02 1.95 2eovA5 PRO 12 HG2 -0.05 0.02 -0.02 -0.04 2.03 1.94 2eovA5 PRO 12 HG3 -0.04 0.00 0.02 -0.04 2.03 1.97 2eovA5 PRO 12 HD2 0.14 0.37 0.19 -0.04 3.68 4.34 2eovA5 PRO 12 HD3 -0.00 -0.03 -0.39 -0.04 3.65 3.19 2eovA5 TYR 13 H 0.27 0.22 -0.79 -0.55 8.29 7.44 2eovA5 TYR 13 HA 0.05 0.13 0.87 -0.75 4.56 4.85 2eovA5 TYR 13 HB2 0.13 0.14 -0.06 -0.04 3.06 3.23 2eovA5 TYR 13 HB3 0.08 -0.06 -0.10 -0.04 2.98 2.86 2eovA5 TYR 13 HD2 0.01 0.08 -0.09 -0.04 7.15 7.11 2eovA5 TYR 13 HE2 -0.03 0.03 -0.01 -0.04 6.85 6.80 2eovA5 LYS 14 H 0.12 0.20 0.15 -0.55 8.42 8.34 2eovA5 LYS 14 HA 0.21 0.36 1.12 -0.75 4.32 5.26 2eovA5 LYS 14 HB2 0.06 0.01 -0.14 -0.04 1.87 1.77 2eovA5 LYS 14 HB3 0.07 -0.06 -0.01 -0.04 1.79 1.75 2eovA5 LYS 14 HG2 0.09 -0.06 -0.19 -0.04 1.46 1.26 2eovA5 LYS 14 HG3 0.08 0.18 -0.04 -0.04 1.46 1.63 2eovA5 LYS 14 HD2 0.03 -0.01 -0.11 -0.04 1.69 1.56 2eovA5 LYS 14 HD3 0.03 -0.05 -0.10 -0.04 1.68 1.52 2eovA5 LYS 14 HE2 0.04 -0.01 -0.11 -0.04 2.99 2.87 2eovA5 LYS 14 HE3 0.04 0.07 -0.18 -0.04 2.99 2.88 2eovA5 CYS 15 H 0.30 0.53 0.16 -0.55 8.50 8.93 2eovA5 CYS 15 HA 0.16 0.10 0.63 -0.75 4.58 4.71 2eovA5 CYS 15 HB2 0.46 0.10 0.06 -0.04 2.97 3.54 2eovA5 CYS 15 HB3 0.42 -0.22 0.27 -0.04 2.97 3.39 2eovA5 SER 16 H 0.09 0.24 0.23 -0.55 8.46 8.47 2eovA5 SER 16 HA 0.05 0.14 0.32 -0.75 4.49 4.24 2eovA5 SER 16 HB2 0.04 0.03 0.12 -0.04 3.95 4.09 2eovA5 SER 16 HB3 0.02 0.00 0.01 -0.04 3.93 3.92 2eovA5 ASP 17 H 0.08 -0.09 -0.29 -0.55 8.40 7.55 2eovA5 ASP 17 HA -0.08 0.13 0.36 -0.75 4.63 4.28 2eovA5 ASP 17 HB2 0.04 -0.08 0.10 -0.04 2.71 2.73 2eovA5 ASP 17 HB3 -0.03 -0.08 0.03 -0.04 2.70 2.58 2eovA5 CYS 18 H 0.17 -0.15 -0.15 -0.55 8.50 7.82 2eovA5 CYS 18 HA -0.01 0.28 0.89 -0.75 4.58 4.98 2eovA5 CYS 18 HB2 0.16 0.06 -0.04 -0.04 2.97 3.11 2eovA5 CYS 18 HB3 0.22 0.02 -0.06 -0.04 2.97 3.10 2eovA5 GLY 19 H 0.18 -0.19 0.14 -0.55 8.43 8.01 2eovA5 GLY 19 HA2 0.08 0.12 0.30 -0.51 4.01 4.00 2eovA5 GLY 19 HA3 0.06 0.22 0.95 -0.51 4.01 4.73 2eovA5 LYS 20 H 0.19 -0.04 0.28 -0.55 8.42 8.30 2eovA5 LYS 20 HA -0.03 0.31 0.91 -0.75 4.32 4.76 2eovA5 LYS 20 HB2 0.12 -0.12 0.08 -0.04 1.87 1.91 2eovA5 LYS 20 HB3 -0.43 0.03 0.10 -0.04 1.79 1.45 2eovA5 LYS 20 HG2 -0.10 0.11 -0.00 -0.04 1.46 1.43 2eovA5 LYS 20 HG3 0.04 -0.04 -0.20 -0.04 1.46 1.22 2eovA5 LYS 20 HD2 -0.09 0.04 -0.05 -0.04 1.69 1.55 2eovA5 LYS 20 HD3 -0.45 -0.06 -0.03 -0.04 1.68 1.09 2eovA5 LYS 20 HE2 -0.33 -0.02 -0.01 -0.04 2.99 2.59 2eovA5 LYS 20 HE3 -0.37 0.01 0.03 -0.04 2.99 2.61 2eovA5 SER 21 H -0.27 0.22 0.17 -0.55 8.46 8.04 2eovA5 SER 21 HA 0.10 0.34 1.14 -0.75 4.49 5.32 2eovA5 SER 21 HB2 -0.01 0.08 0.02 -0.04 3.95 4.00 2eovA5 SER 21 HB3 -0.00 0.03 -0.05 -0.04 3.93 3.87 2eovA5 PHE 22 H 0.34 0.73 0.24 -0.55 8.34 9.11 2eovA5 PHE 22 HA 0.02 0.18 0.97 -0.75 4.62 5.04 2eovA5 PHE 22 HB2 0.05 0.00 -0.05 -0.04 3.15 3.12 2eovA5 PHE 22 HB3 0.02 -0.06 0.05 -0.04 3.06 3.03 2eovA5 PHE 22 HD2 0.03 0.02 -0.20 -0.04 7.28 7.10 2eovA5 PHE 22 HE2 -0.04 -0.04 -0.10 -0.04 7.38 7.16 2eovA5 PHE 22 HZ -0.83 0.02 -0.05 -0.04 7.32 6.42 2eovA5 THR 23 H 0.16 0.09 0.18 -0.55 8.28 8.15 2eovA5 THR 23 HA 0.02 0.26 0.75 -0.75 4.39 4.66 2eovA5 THR 23 HB 0.14 -0.16 0.18 -0.04 4.32 4.44 2eovA5 THR 23 HG23 -0.22 0.04 0.04 -0.04 1.22 1.04 2eovA5 TRP 24 H 0.25 0.02 0.12 -0.55 7.97 7.81 2eovA5 TRP 24 HA -0.18 0.24 0.83 -0.75 4.62 4.76 2eovA5 TRP 24 HB2 -0.05 -0.02 0.11 -0.04 3.23 3.23 2eovA5 TRP 24 HB3 -0.11 -0.11 0.02 -0.04 3.23 2.99 2eovA5 TRP 24 HD1 -0.00 -0.02 0.02 -0.04 7.22 7.18 2eovA5 TRP 24 HE1 0.00 0.04 -0.01 -0.04 10.20 10.20 2eovA5 TRP 24 HE3 -0.06 -0.14 0.09 -0.04 7.59 7.44 2eovA5 TRP 24 HZ2 0.00 0.03 0.00 -0.04 7.44 7.43 2eovA5 TRP 24 HZ3 -0.00 0.00 0.04 -0.04 7.13 7.12 2eovA5 TRP 24 HH2 0.00 0.02 0.02 -0.04 7.19 7.19 2eovA5 LYS 25 H -0.21 0.21 0.14 -0.55 8.42 8.00 2eovA5 LYS 25 HA -0.83 0.13 0.37 -0.75 4.32 3.24 2eovA5 LYS 25 HB2 -0.40 0.10 0.12 -0.04 1.87 1.65 2eovA5 LYS 25 HB3 -0.04 -0.09 0.19 -0.04 1.79 1.80 2eovA5 LYS 25 HG2 -0.01 -0.02 -0.24 -0.04 1.46 1.15 2eovA5 LYS 25 HG3 0.20 0.04 -0.01 -0.04 1.46 1.65 2eovA5 LYS 25 HD2 0.18 0.03 0.02 -0.04 1.69 1.87 2eovA5 LYS 25 HD3 0.07 -0.01 -0.02 -0.04 1.68 1.68 2eovA5 LYS 25 HE2 0.09 0.03 -0.01 -0.04 2.99 3.05 2eovA5 LYS 25 HE3 0.10 -0.01 -0.03 -0.04 2.99 3.00 2eovA5 SER 26 H 0.02 0.14 0.03 -0.55 8.46 8.10 2eovA5 SER 26 HA -0.03 0.09 0.31 -0.75 4.49 4.10 2eovA5 SER 26 HB2 -0.01 0.03 0.12 -0.04 3.95 4.04 2eovA5 SER 26 HB3 -0.04 -0.03 0.02 -0.04 3.93 3.83 2eovA5 ARG 27 H 0.02 0.01 -0.50 -0.55 8.46 7.44 2eovA5 ARG 27 HA -0.01 0.06 0.31 -0.75 4.34 3.94 2eovA5 ARG 27 HB2 0.13 0.15 0.06 -0.04 1.90 2.20 2eovA5 ARG 27 HB3 0.15 0.04 0.02 -0.04 1.80 1.97 2eovA5 ARG 27 HG2 0.11 -0.12 -0.01 -0.04 1.67 1.60 2eovA5 ARG 27 HG3 0.20 -0.01 0.06 -0.04 1.67 1.87 2eovA5 ARG 27 HD2 0.04 0.06 0.02 -0.04 3.22 3.29 2eovA5 ARG 27 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2eovA5 LEU 28 H -0.18 0.42 -0.14 -0.55 8.37 7.92 2eovA5 LEU 28 HA -1.28 -0.03 0.35 -0.75 4.35 2.64 2eovA5 LEU 28 HB2 -0.39 -0.01 0.04 -0.04 1.64 1.25 2eovA5 LEU 28 HB3 -0.20 0.22 0.16 -0.04 1.64 1.78 2eovA5 LEU 28 HG -0.16 -0.01 -0.34 -0.04 1.64 1.09 2eovA5 LEU 28 HD13 -0.44 -0.02 -0.14 -0.04 0.93 0.28 2eovA5 LEU 28 HD23 0.08 0.01 -0.11 -0.04 0.89 0.83 2eovA5 ARG 29 H -0.13 0.39 -0.19 -0.55 8.46 7.98 2eovA5 ARG 29 HA -0.07 -0.04 0.35 -0.75 4.34 3.83 2eovA5 ARG 29 HB2 -0.05 0.25 0.14 -0.04 1.90 2.20 2eovA5 ARG 29 HB3 -0.04 -0.02 0.01 -0.04 1.80 1.72 2eovA5 ARG 29 HG2 -0.02 -0.01 0.03 -0.04 1.67 1.63 2eovA5 ARG 29 HG3 -0.03 -0.02 -0.02 -0.04 1.67 1.55 2eovA5 ARG 29 HD2 0.00 -0.04 -0.05 -0.04 3.22 3.09 2eovA5 ARG 29 HD3 -0.02 -0.01 -0.00 -0.04 3.22 3.15 2eovA5 ILE 30 H -0.09 0.46 -0.47 -0.55 8.25 7.61 2eovA5 ILE 30 HA -0.03 0.02 0.45 -0.75 4.18 3.87 2eovA5 ILE 30 HB 0.00 0.08 0.11 -0.04 1.89 2.05 2eovA5 ILE 30 HG12 -0.04 0.20 0.12 -0.04 1.49 1.73 2eovA5 ILE 30 HG13 -0.02 -0.10 -0.01 -0.04 1.21 1.04 2eovA5 ILE 30 HG23 -0.00 -0.02 -0.00 -0.04 0.93 0.86 2eovA5 ILE 30 HD13 -0.03 -0.03 -0.10 -0.04 0.88 0.68 2eovA5 HIS 31 H -0.07 0.41 -0.03 -0.55 8.41 8.18 2eovA5 HIS 31 HA -0.05 0.07 0.50 -0.75 4.63 4.39 2eovA5 HIS 31 HB2 0.13 -0.01 0.07 -0.04 3.26 3.41 2eovA5 HIS 31 HB3 -0.35 0.06 0.20 -0.04 3.20 3.06 2eovA5 HIS 31 HD2 0.21 -0.10 -0.07 -0.04 6.97 6.97 2eovA5 HIS 31 HE1 -0.11 0.04 -0.06 -0.04 7.75 7.57 2eovA5 GLN 32 H -0.09 0.56 0.03 -0.55 8.47 8.42 2eovA5 GLN 32 HA -0.01 -0.06 0.33 -0.75 4.36 3.86 2eovA5 GLN 32 HB2 -0.04 0.12 0.13 -0.04 2.15 2.32 2eovA5 GLN 32 HB3 -0.00 0.03 -0.00 -0.04 2.02 2.00 2eovA5 GLN 32 HG2 0.03 -0.11 0.04 -0.04 2.40 2.32 2eovA5 GLN 32 HG3 -0.06 0.11 -0.06 -0.04 2.39 2.34 2eovA5 GLN 32 HE21 0.01 -0.07 -0.04 -0.04 6.97 6.82 2eovA5 GLN 32 HE22 0.01 0.02 -0.03 -0.04 7.69 7.66 2eovA5 LYS 33 H -0.06 0.30 -0.25 -0.55 8.42 7.85 2eovA5 LYS 33 HA -0.02 0.04 0.35 -0.75 4.32 3.93 2eovA5 LYS 33 HB2 -0.03 -0.02 -0.00 -0.04 1.87 1.78 2eovA5 LYS 33 HB3 -0.03 -0.04 0.09 -0.04 1.79 1.77 2eovA5 LYS 33 HG2 -0.05 0.10 0.03 -0.04 1.46 1.50 2eovA5 LYS 33 HG3 -0.04 0.05 -0.07 -0.04 1.46 1.35 2eovA5 LYS 33 HD2 -0.02 -0.04 0.03 -0.04 1.69 1.62 2eovA5 LYS 33 HD3 -0.02 -0.05 -0.01 -0.04 1.68 1.55 2eovA5 LYS 33 HE2 -0.03 0.22 0.01 -0.04 2.99 3.15 2eovA5 LYS 33 HE3 -0.02 -0.10 -0.03 -0.04 2.99 2.79 2eovA5 CYS 34 H -0.13 0.21 -0.38 -0.55 8.50 7.65 2eovA5 CYS 34 HA -0.07 -0.06 0.31 -0.75 4.58 4.01 2eovA5 CYS 34 HB2 -0.09 0.04 0.28 -0.04 2.97 3.16 2eovA5 CYS 34 HB3 -0.39 0.01 0.10 -0.04 2.97 2.66 2eovA5 HIS 35 H -0.32 0.41 -0.42 -0.55 8.41 7.54 2eovA5 HIS 35 HA -0.06 -0.13 0.37 -0.75 4.63 4.05 2eovA5 HIS 35 HB2 -0.10 0.24 0.23 -0.04 3.26 3.59 2eovA5 HIS 35 HB3 -0.06 -0.06 0.10 -0.04 3.20 3.15 2eovA5 HIS 35 HD2 -0.20 0.02 0.07 -0.04 6.97 6.81 2eovA5 HIS 35 HE1 0.13 -0.02 -0.07 -0.04 7.75 7.74 2eovA5 THR 36 H 0.03 0.14 0.36 -0.55 8.28 8.26 2eovA5 THR 36 HA 0.02 0.19 0.88 -0.75 4.39 4.73 2eovA5 THR 36 HB 0.01 -0.11 0.22 -0.04 4.32 4.40 2eovA5 THR 36 HG23 -0.00 0.05 -0.19 -0.04 1.22 1.03 2eovA5 GLY 37 H 0.05 0.15 -0.04 -0.55 8.43 8.04 2eovA5 GLY 37 HA2 0.03 0.19 0.90 -0.51 4.01 4.61 2eovA5 GLY 37 HA3 0.04 0.01 0.30 -0.51 4.01 3.85 2eovA5 GLU 38 H 0.02 0.17 0.06 -0.55 8.60 8.31 2eovA5 GLU 38 HA 0.01 0.24 0.86 -0.75 4.29 4.65 2eovA5 GLU 38 HB2 0.01 0.05 -0.04 -0.04 2.09 2.07 2eovA5 GLU 38 HB3 0.02 -0.01 0.18 -0.04 1.99 2.14 2eovA5 GLU 38 HG2 0.01 -0.01 0.06 -0.04 2.34 2.36 2eovA5 GLU 38 HG3 0.01 -0.04 0.08 -0.04 2.34 2.35 2eovA5 ARG 39 H 0.03 0.26 -0.33 -0.55 8.46 7.86 2eovA5 ARG 39 HA 0.05 0.11 0.72 -0.75 4.34 4.47 2eovA5 ARG 39 HB2 0.04 0.00 -0.24 -0.04 1.90 1.66 2eovA5 ARG 39 HB3 0.05 0.02 0.03 -0.04 1.80 1.86 2eovA5 ARG 39 HG2 0.07 0.01 -0.11 -0.04 1.67 1.60 2eovA5 ARG 39 HG3 0.04 0.04 0.06 -0.04 1.67 1.77 2eovA5 ARG 39 HD2 0.03 0.00 -0.02 -0.04 3.22 3.19 2eovA5 ARG 39 HD3 0.03 -0.01 -0.03 -0.04 3.22 3.17 2eovA5 HIS 40 H 0.10 0.18 0.06 -0.55 8.41 8.20 2eovA5 HIS 40 HA 0.00 0.03 0.31 -0.75 4.63 4.21 2eovA5 HIS 40 HB2 0.01 -0.01 0.04 -0.04 3.26 3.25 2eovA5 HIS 40 HB3 0.01 0.13 -0.10 -0.04 3.20 3.19 2eovA5 HIS 40 HD2 0.01 0.03 0.08 -0.04 6.97 7.04 2eovA5 HIS 40 HE1 0.00 0.02 0.05 -0.04 7.75 7.77 2eovA5 SER 41 H -0.01 -0.01 -0.57 -0.55 8.46 7.32 2eovA5 SER 41 HA -0.11 0.18 0.52 -0.75 4.49 4.32 2eovA5 SER 41 HB2 -0.01 -0.14 -0.11 -0.04 3.95 3.65 2eovA5 SER 41 HB3 -0.04 0.02 0.05 -0.04 3.93 3.92 2eovA5 GLY 42 H -0.37 0.28 -0.84 -0.55 8.43 6.95 2eovA5 GLY 42 HA2 -0.19 0.02 0.33 -0.51 4.01 3.66 2eovA5 GLY 42 HA3 -0.13 0.12 0.50 -0.51 4.01 3.99 2eovA5 PRO 43 HA -0.01 0.06 0.36 -0.51 4.44 4.34 2eovA5 PRO 43 HB2 0.02 0.09 -0.04 -0.04 2.28 2.31 2eovA5 PRO 43 HB3 0.04 -0.02 0.06 -0.04 2.02 2.05 2eovA5 PRO 43 HG2 0.04 0.05 -0.01 -0.04 2.03 2.08 2eovA5 PRO 43 HG3 0.12 0.02 0.03 -0.04 2.03 2.16 2eovA5 PRO 43 HD2 -0.08 0.14 0.16 -0.04 3.68 3.86 2eovA5 PRO 43 HD3 -0.05 -0.02 0.03 -0.04 3.65 3.57 2eovA5 SER 44 H -0.00 0.14 0.18 -0.55 8.46 8.24 2eovA5 SER 44 HA -0.00 0.24 0.92 -0.75 4.49 4.89 2eovA5 SER 44 HB2 -0.01 0.11 -0.01 -0.04 3.95 4.00 2eovA5 SER 44 HB3 -0.00 -0.04 0.01 -0.04 3.93 3.86 2eovA5 SER 45 H -0.00 0.19 0.06 -0.55 8.46 8.16 2eovA5 SER 45 HA 0.00 0.20 0.71 -0.75 4.49 4.65 2eovA5 SER 45 HB2 0.00 0.02 0.18 -0.04 3.95 4.11 2eovA5 SER 45 HB3 0.00 0.03 0.04 -0.04 3.93 3.96 2eovA5 GLY 46 H 0.00 0.23 -0.69 -0.55 8.43 7.42 2eovA5 GLY 46 HA2 0.00 0.09 0.12 -0.51 4.01 3.70 2eovA5 GLY 46 HA3 0.00 0.15 0.32 -0.51 4.01 3.97