============================================================================= 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 -0.137 -7.871 1.182 -99.200 -91.000 PHE 22 1.000 -1.636 -0.670 -3.150 -99.200 -91.000 TRP 24 1.040 2.573 -9.600 -6.671 -99.200 -91.000 TRP6 24 1.020 4.420 -11.049 -6.436 -99.200 -91.000 HIS 31 0.900 -0.562 3.989 -2.705 -99.200 -91.000 HIS 35 0.900 -0.954 7.931 0.332 -99.200 -91.000 HIS 40 0.900 2.935 23.870 -4.586 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA4 GLY 1 HA2 0.00 -0.04 0.10 -0.51 4.01 3.56 2eovA4 GLY 1 HA3 0.00 -0.01 0.20 -0.51 4.01 3.69 2eovA4 SER 2 H 0.00 0.20 -0.00 -0.55 8.46 8.11 2eovA4 SER 2 HA 0.01 0.20 0.93 -0.75 4.49 4.87 2eovA4 SER 2 HB2 0.01 0.04 -0.01 -0.04 3.95 3.94 2eovA4 SER 2 HB3 0.01 -0.05 0.18 -0.04 3.93 4.03 2eovA4 SER 3 H 0.00 0.25 -0.03 -0.55 8.46 8.14 2eovA4 SER 3 HA 0.00 0.03 0.54 -0.75 4.49 4.31 2eovA4 SER 3 HB2 -0.00 -0.02 -0.01 -0.04 3.95 3.87 2eovA4 SER 3 HB3 0.00 0.03 0.01 -0.04 3.93 3.93 2eovA4 GLY 4 H 0.00 0.08 0.08 -0.55 8.43 8.04 2eovA4 GLY 4 HA2 -0.00 0.11 0.50 -0.51 4.01 4.11 2eovA4 GLY 4 HA3 0.00 0.15 0.29 -0.51 4.01 3.94 2eovA4 SER 5 H 0.00 0.23 0.10 -0.55 8.46 8.25 2eovA4 SER 5 HA -0.00 0.10 0.47 -0.75 4.49 4.31 2eovA4 SER 5 HB2 0.00 0.02 0.18 -0.04 3.95 4.11 2eovA4 SER 5 HB3 -0.00 0.04 0.23 -0.04 3.93 4.16 2eovA4 SER 6 H -0.00 0.55 -0.50 -0.55 8.46 7.96 2eovA4 SER 6 HA -0.00 0.23 0.86 -0.75 4.49 4.82 2eovA4 SER 6 HB2 -0.00 -0.08 -0.12 -0.04 3.95 3.71 2eovA4 SER 6 HB3 -0.00 -0.00 -0.03 -0.04 3.93 3.85 2eovA4 GLY 7 H -0.00 0.11 0.04 -0.55 8.43 8.03 2eovA4 GLY 7 HA2 -0.00 -0.00 0.29 -0.51 4.01 3.78 2eovA4 GLY 7 HA3 -0.00 0.18 0.62 -0.51 4.01 4.29 2eovA4 THR 8 H -0.01 0.18 0.04 -0.55 8.28 7.95 2eovA4 THR 8 HA -0.01 0.24 0.91 -0.75 4.39 4.77 2eovA4 THR 8 HB -0.02 0.03 0.23 -0.04 4.32 4.52 2eovA4 THR 8 HG23 -0.01 0.03 -0.09 -0.04 1.22 1.11 2eovA4 GLY 9 H -0.01 0.09 -0.33 -0.55 8.43 7.63 2eovA4 GLY 9 HA2 -0.01 -0.02 0.32 -0.51 4.01 3.79 2eovA4 GLY 9 HA3 -0.00 0.09 0.29 -0.51 4.01 3.88 2eovA4 GLU 10 H -0.01 0.09 0.01 -0.55 8.60 8.14 2eovA4 GLU 10 HA -0.00 0.11 0.44 -0.75 4.29 4.08 2eovA4 GLU 10 HB2 -0.01 -0.06 0.07 -0.04 2.09 2.05 2eovA4 GLU 10 HB3 -0.02 -0.01 0.17 -0.04 1.99 2.10 2eovA4 GLU 10 HG2 -0.01 -0.03 -0.02 -0.04 2.34 2.23 2eovA4 GLU 10 HG3 -0.02 0.10 -0.11 -0.04 2.34 2.26 2eovA4 LYS 11 H 0.01 0.37 0.28 -0.55 8.42 8.52 2eovA4 LYS 11 HA 0.00 0.05 0.39 -0.75 4.32 4.00 2eovA4 LYS 11 HB2 0.09 0.05 0.18 -0.04 1.87 2.14 2eovA4 LYS 11 HB3 0.12 0.23 0.09 -0.04 1.79 2.20 2eovA4 LYS 11 HG2 0.02 0.32 0.09 -0.04 1.46 1.85 2eovA4 LYS 11 HG3 0.04 -0.14 -0.21 -0.04 1.46 1.10 2eovA4 LYS 11 HD2 0.07 -0.04 -0.12 -0.04 1.69 1.57 2eovA4 LYS 11 HD3 0.02 -0.02 -0.13 -0.04 1.68 1.51 2eovA4 LYS 11 HE2 0.04 -0.08 -0.13 -0.04 2.99 2.78 2eovA4 LYS 11 HE3 0.04 -0.05 -0.05 -0.04 2.99 2.89 2eovA4 PRO 12 HA -0.22 0.09 0.39 -0.51 4.44 4.20 2eovA4 PRO 12 HB2 -0.81 -0.03 0.10 -0.04 2.28 1.50 2eovA4 PRO 12 HB3 -0.26 0.01 0.15 -0.04 2.02 1.88 2eovA4 PRO 12 HG2 -0.10 0.09 0.04 -0.04 2.03 2.02 2eovA4 PRO 12 HG3 -0.11 -0.00 0.13 -0.04 2.03 2.00 2eovA4 PRO 12 HD2 0.06 0.14 0.31 -0.04 3.68 4.15 2eovA4 PRO 12 HD3 -0.05 0.11 0.23 -0.04 3.65 3.90 2eovA4 TYR 13 H 0.06 0.13 -0.75 -0.55 8.29 7.18 2eovA4 TYR 13 HA 0.04 0.13 0.76 -0.75 4.56 4.75 2eovA4 TYR 13 HB2 0.14 0.07 -0.04 -0.04 3.06 3.19 2eovA4 TYR 13 HB3 0.05 -0.07 -0.04 -0.04 2.98 2.87 2eovA4 TYR 13 HD2 0.03 0.09 -0.19 -0.04 7.15 7.05 2eovA4 TYR 13 HE2 -0.03 0.03 -0.05 -0.04 6.85 6.76 2eovA4 LYS 14 H 0.16 0.22 0.08 -0.55 8.42 8.33 2eovA4 LYS 14 HA 0.22 0.21 0.92 -0.75 4.32 4.92 2eovA4 LYS 14 HB2 0.07 0.06 -0.19 -0.04 1.87 1.78 2eovA4 LYS 14 HB3 0.07 -0.03 0.00 -0.04 1.79 1.79 2eovA4 LYS 14 HG2 0.07 0.04 -0.20 -0.04 1.46 1.33 2eovA4 LYS 14 HG3 0.08 0.22 0.06 -0.04 1.46 1.78 2eovA4 LYS 14 HD2 0.03 -0.01 -0.07 -0.04 1.69 1.61 2eovA4 LYS 14 HD3 0.03 -0.03 -0.08 -0.04 1.68 1.56 2eovA4 LYS 14 HE2 0.03 0.07 -0.12 -0.04 2.99 2.93 2eovA4 LYS 14 HE3 0.02 -0.05 -0.07 -0.04 2.99 2.85 2eovA4 CYS 15 H 0.29 0.37 0.14 -0.55 8.50 8.75 2eovA4 CYS 15 HA 0.13 0.07 0.46 -0.75 4.58 4.49 2eovA4 CYS 15 HB2 0.32 0.10 0.11 -0.04 2.97 3.45 2eovA4 CYS 15 HB3 0.25 -0.32 0.29 -0.04 2.97 3.14 2eovA4 SER 16 H 0.07 0.17 0.16 -0.55 8.46 8.31 2eovA4 SER 16 HA 0.04 0.23 0.69 -0.75 4.49 4.69 2eovA4 SER 16 HB2 0.04 0.05 0.11 -0.04 3.95 4.10 2eovA4 SER 16 HB3 0.02 0.00 0.18 -0.04 3.93 4.08 2eovA4 ASP 17 H 0.06 -0.12 -0.58 -0.55 8.40 7.22 2eovA4 ASP 17 HA -0.09 0.27 0.85 -0.75 4.63 4.91 2eovA4 ASP 17 HB2 -0.34 -0.15 0.03 -0.04 2.71 2.21 2eovA4 ASP 17 HB3 -0.65 0.08 -0.02 -0.04 2.70 2.07 2eovA4 CYS 18 H 0.14 -0.19 0.07 -0.55 8.50 7.97 2eovA4 CYS 18 HA 0.08 0.30 0.93 -0.75 4.58 5.14 2eovA4 CYS 18 HB2 0.17 0.08 -0.03 -0.04 2.97 3.15 2eovA4 CYS 18 HB3 0.35 0.06 -0.03 -0.04 2.97 3.31 2eovA4 GLY 19 H 0.15 -0.24 0.18 -0.55 8.43 7.98 2eovA4 GLY 19 HA2 0.07 0.16 0.33 -0.51 4.01 4.06 2eovA4 GLY 19 HA3 0.05 0.26 0.96 -0.51 4.01 4.78 2eovA4 LYS 20 H 0.12 -0.19 0.25 -0.55 8.42 8.04 2eovA4 LYS 20 HA -0.09 0.27 0.78 -0.75 4.32 4.53 2eovA4 LYS 20 HB2 -0.05 -0.04 0.08 -0.04 1.87 1.82 2eovA4 LYS 20 HB3 -0.26 -0.05 0.00 -0.04 1.79 1.44 2eovA4 LYS 20 HG2 -0.74 0.07 0.10 -0.04 1.46 0.85 2eovA4 LYS 20 HG3 -0.22 0.08 0.14 -0.04 1.46 1.41 2eovA4 LYS 20 HD2 -0.13 0.05 0.02 -0.04 1.69 1.59 2eovA4 LYS 20 HD3 -0.05 -0.02 -0.00 -0.04 1.68 1.56 2eovA4 LYS 20 HE2 -0.36 -0.05 -0.03 -0.04 2.99 2.52 2eovA4 LYS 20 HE3 -0.65 0.02 -0.02 -0.04 2.99 2.31 2eovA4 SER 21 H -0.39 0.21 0.22 -0.55 8.46 7.96 2eovA4 SER 21 HA 0.04 0.25 1.09 -0.75 4.49 5.11 2eovA4 SER 21 HB2 -0.11 -0.02 0.17 -0.04 3.95 3.95 2eovA4 SER 21 HB3 -0.04 0.03 0.08 -0.04 3.93 3.96 2eovA4 PHE 22 H 0.31 0.53 0.21 -0.55 8.34 8.84 2eovA4 PHE 22 HA 0.06 0.14 0.95 -0.75 4.62 5.03 2eovA4 PHE 22 HB2 0.07 0.05 -0.02 -0.04 3.15 3.21 2eovA4 PHE 22 HB3 0.06 -0.08 0.04 -0.04 3.06 3.03 2eovA4 PHE 22 HD2 0.01 0.03 -0.21 -0.04 7.28 7.06 2eovA4 PHE 22 HE2 -0.14 -0.03 -0.14 -0.04 7.38 7.03 2eovA4 PHE 22 HZ -1.32 0.01 -0.06 -0.04 7.32 5.90 2eovA4 THR 23 H 0.25 0.11 0.17 -0.55 8.28 8.26 2eovA4 THR 23 HA 0.17 0.15 0.64 -0.75 4.39 4.59 2eovA4 THR 23 HB 0.35 -0.07 0.14 -0.04 4.32 4.71 2eovA4 THR 23 HG23 0.03 0.01 -0.01 -0.04 1.22 1.21 2eovA4 TRP 24 H 0.46 -0.00 0.08 -0.55 7.97 7.95 2eovA4 TRP 24 HA 0.05 0.25 0.74 -0.75 4.62 4.91 2eovA4 TRP 24 HB2 0.01 -0.02 0.09 -0.04 3.23 3.27 2eovA4 TRP 24 HB3 -0.03 -0.11 0.05 -0.04 3.23 3.09 2eovA4 TRP 24 HD1 0.05 -0.07 -0.02 -0.04 7.22 7.14 2eovA4 TRP 24 HE1 0.03 0.05 -0.02 -0.04 10.20 10.22 2eovA4 TRP 24 HE3 -0.01 -0.13 0.06 -0.04 7.59 7.48 2eovA4 TRP 24 HZ2 0.02 0.03 0.00 -0.04 7.44 7.45 2eovA4 TRP 24 HZ3 0.01 0.02 0.03 -0.04 7.13 7.14 2eovA4 TRP 24 HH2 0.01 0.03 0.01 -0.04 7.19 7.21 2eovA4 LYS 25 H -0.00 0.18 0.14 -0.55 8.42 8.19 2eovA4 LYS 25 HA -1.12 0.18 0.47 -0.75 4.32 3.09 2eovA4 LYS 25 HB2 -0.43 0.12 0.08 -0.04 1.87 1.59 2eovA4 LYS 25 HB3 -0.09 -0.06 0.17 -0.04 1.79 1.77 2eovA4 LYS 25 HG2 -0.04 0.06 -0.03 -0.04 1.46 1.40 2eovA4 LYS 25 HG3 -0.14 -0.03 -0.34 -0.04 1.46 0.91 2eovA4 LYS 25 HD2 -0.61 -0.04 0.03 -0.04 1.69 1.04 2eovA4 LYS 25 HD3 0.05 0.08 -0.01 -0.04 1.68 1.76 2eovA4 LYS 25 HE2 -0.01 0.06 -0.04 -0.04 2.99 2.96 2eovA4 LYS 25 HE3 -0.10 -0.08 -0.09 -0.04 2.99 2.68 2eovA4 SER 26 H 0.06 0.12 0.05 -0.55 8.46 8.15 2eovA4 SER 26 HA -0.03 0.10 0.32 -0.75 4.49 4.12 2eovA4 SER 26 HB2 -0.01 0.09 0.01 -0.04 3.95 3.99 2eovA4 SER 26 HB3 0.05 0.05 0.11 -0.04 3.93 4.11 2eovA4 ARG 27 H 0.06 -0.01 -0.52 -0.55 8.46 7.43 2eovA4 ARG 27 HA -0.00 0.08 0.29 -0.75 4.34 3.96 2eovA4 ARG 27 HB2 0.16 0.08 0.00 -0.04 1.90 2.10 2eovA4 ARG 27 HB3 0.21 0.06 -0.03 -0.04 1.80 2.00 2eovA4 ARG 27 HG2 0.04 -0.09 -0.01 -0.04 1.67 1.56 2eovA4 ARG 27 HG3 0.17 -0.06 0.04 -0.04 1.67 1.77 2eovA4 ARG 27 HD2 0.01 0.03 -0.00 -0.04 3.22 3.21 2eovA4 ARG 27 HD3 -0.10 0.03 -0.01 -0.04 3.22 3.10 2eovA4 LEU 28 H -0.21 0.30 -0.21 -0.55 8.37 7.70 2eovA4 LEU 28 HA -1.30 -0.03 0.29 -0.75 4.35 2.56 2eovA4 LEU 28 HB2 -0.41 0.02 0.04 -0.04 1.64 1.26 2eovA4 LEU 28 HB3 -0.32 0.16 0.13 -0.04 1.64 1.57 2eovA4 LEU 28 HG -0.21 -0.02 -0.28 -0.04 1.64 1.08 2eovA4 LEU 28 HD13 -0.33 -0.01 -0.19 -0.04 0.93 0.35 2eovA4 LEU 28 HD23 -0.00 0.01 -0.08 -0.04 0.89 0.78 2eovA4 ARG 29 H -0.17 0.43 -0.22 -0.55 8.46 7.95 2eovA4 ARG 29 HA -0.07 -0.02 0.34 -0.75 4.34 3.83 2eovA4 ARG 29 HB2 -0.06 0.19 0.16 -0.04 1.90 2.15 2eovA4 ARG 29 HB3 -0.04 -0.01 -0.00 -0.04 1.80 1.71 2eovA4 ARG 29 HG2 -0.07 -0.03 0.01 -0.04 1.67 1.54 2eovA4 ARG 29 HG3 -0.09 0.04 -0.09 -0.04 1.67 1.49 2eovA4 ARG 29 HD2 -0.03 -0.04 -0.03 -0.04 3.22 3.09 2eovA4 ARG 29 HD3 -0.03 0.02 -0.01 -0.04 3.22 3.16 2eovA4 ILE 30 H -0.06 0.48 -0.09 -0.55 8.25 8.03 2eovA4 ILE 30 HA -0.03 -0.00 0.34 -0.75 4.18 3.74 2eovA4 ILE 30 HB -0.01 0.14 0.12 -0.04 1.89 2.10 2eovA4 ILE 30 HG12 -0.02 -0.02 0.03 -0.04 1.49 1.43 2eovA4 ILE 30 HG13 -0.03 0.12 0.09 -0.04 1.21 1.34 2eovA4 ILE 30 HG23 -0.01 -0.01 -0.05 -0.04 0.93 0.82 2eovA4 ILE 30 HD13 -0.02 -0.04 -0.07 -0.04 0.88 0.71 2eovA4 HIS 31 H -0.04 0.43 -0.38 -0.55 8.41 7.87 2eovA4 HIS 31 HA -0.03 0.04 0.50 -0.75 4.63 4.39 2eovA4 HIS 31 HB2 -0.02 -0.02 0.04 -0.04 3.26 3.23 2eovA4 HIS 31 HB3 -0.37 0.08 0.21 -0.04 3.20 3.07 2eovA4 HIS 31 HD2 0.20 -0.04 -0.17 -0.04 6.97 6.92 2eovA4 HIS 31 HE1 0.04 0.04 -0.03 -0.04 7.75 7.76 2eovA4 GLN 32 H 0.02 0.70 0.14 -0.55 8.47 8.79 2eovA4 GLN 32 HA 0.21 -0.10 0.34 -0.75 4.36 4.07 2eovA4 GLN 32 HB2 -0.00 0.12 0.17 -0.04 2.15 2.40 2eovA4 GLN 32 HB3 0.03 0.00 -0.01 -0.04 2.02 2.01 2eovA4 GLN 32 HG2 0.07 -0.14 0.04 -0.04 2.40 2.34 2eovA4 GLN 32 HG3 -0.05 0.06 -0.13 -0.04 2.39 2.22 2eovA4 GLN 32 HE21 0.04 -0.15 0.02 -0.04 6.97 6.83 2eovA4 GLN 32 HE22 0.03 0.06 -0.00 -0.04 7.69 7.73 2eovA4 LYS 33 H -0.01 0.47 -0.17 -0.55 8.42 8.15 2eovA4 LYS 33 HA 0.01 -0.01 0.41 -0.75 4.32 3.97 2eovA4 LYS 33 HB2 -0.01 -0.01 0.04 -0.04 1.87 1.85 2eovA4 LYS 33 HB3 -0.01 -0.07 0.06 -0.04 1.79 1.73 2eovA4 LYS 33 HG2 -0.02 -0.12 -0.03 -0.04 1.46 1.24 2eovA4 LYS 33 HG3 -0.03 0.13 0.02 -0.04 1.46 1.55 2eovA4 LYS 33 HD2 -0.03 0.14 -0.47 -0.04 1.69 1.28 2eovA4 LYS 33 HD3 -0.02 -0.06 -0.14 -0.04 1.68 1.43 2eovA4 LYS 33 HE2 -0.02 -0.10 -0.00 -0.04 2.99 2.83 2eovA4 LYS 33 HE3 -0.03 0.07 0.05 -0.04 2.99 3.04 2eovA4 CYS 34 H -0.07 0.22 -0.35 -0.55 8.50 7.75 2eovA4 CYS 34 HA -0.07 -0.06 0.33 -0.75 4.58 4.03 2eovA4 CYS 34 HB2 -0.13 0.21 0.34 -0.04 2.97 3.35 2eovA4 CYS 34 HB3 -0.41 -0.03 0.20 -0.04 2.97 2.69 2eovA4 HIS 35 H -0.20 0.37 -0.20 -0.55 8.41 7.84 2eovA4 HIS 35 HA -0.08 -0.09 0.29 -0.75 4.63 4.00 2eovA4 HIS 35 HB2 -0.05 0.23 0.15 -0.04 3.26 3.54 2eovA4 HIS 35 HB3 -0.03 -0.05 -0.01 -0.04 3.20 3.07 2eovA4 HIS 35 HD2 -0.07 0.09 -0.03 -0.04 6.97 6.91 2eovA4 HIS 35 HE1 0.10 -0.01 -0.09 -0.04 7.75 7.71 2eovA4 THR 36 H 0.08 0.16 -0.12 -0.55 8.28 7.85 2eovA4 THR 36 HA 0.03 -0.05 0.58 -0.75 4.39 4.20 2eovA4 THR 36 HB 0.02 -0.06 0.10 -0.04 4.32 4.34 2eovA4 THR 36 HG23 0.01 0.06 0.08 -0.04 1.22 1.33 2eovA4 GLY 37 H 0.01 0.06 0.09 -0.55 8.43 8.04 2eovA4 GLY 37 HA2 -0.00 0.03 0.38 -0.51 4.01 3.91 2eovA4 GLY 37 HA3 -0.00 0.10 0.46 -0.51 4.01 4.06 2eovA4 GLU 38 H 0.00 0.26 0.02 -0.55 8.60 8.34 2eovA4 GLU 38 HA 0.01 0.18 0.91 -0.75 4.29 4.63 2eovA4 GLU 38 HB2 0.02 -0.03 0.14 -0.04 2.09 2.17 2eovA4 GLU 38 HB3 0.01 0.07 -0.03 -0.04 1.99 1.99 2eovA4 GLU 38 HG2 0.00 0.02 0.04 -0.04 2.34 2.36 2eovA4 GLU 38 HG3 0.01 0.02 0.20 -0.04 2.34 2.52 2eovA4 ARG 39 H 0.02 0.22 -0.06 -0.55 8.46 8.09 2eovA4 ARG 39 HA 0.04 0.14 0.78 -0.75 4.34 4.55 2eovA4 ARG 39 HB2 0.03 0.09 0.06 -0.04 1.90 2.04 2eovA4 ARG 39 HB3 0.03 0.00 0.17 -0.04 1.80 1.96 2eovA4 ARG 39 HG2 0.07 0.01 -0.20 -0.04 1.67 1.51 2eovA4 ARG 39 HG3 0.04 0.00 -0.00 -0.04 1.67 1.68 2eovA4 ARG 39 HD2 0.04 0.05 0.01 -0.04 3.22 3.27 2eovA4 ARG 39 HD3 0.03 -0.01 -0.00 -0.04 3.22 3.20 2eovA4 HIS 40 H 0.10 0.27 0.14 -0.55 8.41 8.37 2eovA4 HIS 40 HA 0.00 0.05 0.29 -0.75 4.63 4.22 2eovA4 HIS 40 HB2 0.00 -0.01 0.04 -0.04 3.26 3.25 2eovA4 HIS 40 HB3 0.00 0.08 -0.14 -0.04 3.20 3.11 2eovA4 HIS 40 HD2 0.00 -0.00 0.01 -0.04 6.97 6.94 2eovA4 HIS 40 HE1 0.00 -0.01 -0.03 -0.04 7.75 7.66 2eovA4 SER 41 H 0.05 -0.02 -0.56 -0.55 8.46 7.37 2eovA4 SER 41 HA -0.06 0.03 0.44 -0.75 4.49 4.13 2eovA4 SER 41 HB2 0.00 -0.06 0.01 -0.04 3.95 3.86 2eovA4 SER 41 HB3 0.00 0.02 0.01 -0.04 3.93 3.92 2eovA4 GLY 42 H -0.09 -0.06 0.18 -0.55 8.43 7.91 2eovA4 GLY 42 HA2 -0.04 0.26 0.81 -0.51 4.01 4.52 2eovA4 GLY 42 HA3 -0.09 0.06 0.36 -0.51 4.01 3.83 2eovA4 PRO 43 HA -0.01 0.09 0.43 -0.51 4.44 4.44 2eovA4 PRO 43 HB2 -0.01 0.07 0.13 -0.04 2.28 2.43 2eovA4 PRO 43 HB3 -0.01 0.04 0.11 -0.04 2.02 2.12 2eovA4 PRO 43 HG2 -0.02 0.04 0.11 -0.04 2.03 2.12 2eovA4 PRO 43 HG3 -0.01 0.06 0.09 -0.04 2.03 2.14 2eovA4 PRO 43 HD2 -0.04 0.08 0.17 -0.04 3.68 3.85 2eovA4 PRO 43 HD3 -0.02 0.17 0.17 -0.04 3.65 3.93 2eovA4 SER 44 H -0.01 0.37 0.29 -0.55 8.46 8.56 2eovA4 SER 44 HA -0.01 0.01 0.28 -0.75 4.49 4.01 2eovA4 SER 44 HB2 -0.01 0.06 -0.21 -0.04 3.95 3.75 2eovA4 SER 44 HB3 -0.01 0.02 0.19 -0.04 3.93 4.10 2eovA4 SER 45 H -0.03 -0.09 -0.61 -0.55 8.46 7.19 2eovA4 SER 45 HA -0.02 0.27 0.89 -0.75 4.49 4.87 2eovA4 SER 45 HB2 -0.03 0.10 -0.14 -0.04 3.95 3.84 2eovA4 SER 45 HB3 -0.05 -0.09 -0.03 -0.04 3.93 3.72 2eovA4 GLY 46 H -0.04 -0.06 -0.03 -0.55 8.43 7.75 2eovA4 GLY 46 HA2 -0.03 0.23 0.46 -0.51 4.01 4.17 2eovA4 GLY 46 HA3 -0.04 0.06 0.19 -0.51 4.01 3.71