============================================================================= 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 -0.451 -8.686 0.921 -99.200 -91.000 PHE 22 1.000 -2.065 -0.687 -2.863 -99.200 -91.000 TRP 24 1.040 2.346 -9.090 -6.896 -99.200 -91.000 TRP6 24 1.020 3.371 -11.148 -6.369 -99.200 -91.000 HIS 31 0.900 -0.854 3.427 -2.825 -99.200 -91.000 HIS 35 0.900 -0.896 7.671 -0.366 -99.200 -91.000 HIS 40 0.900 -7.293 11.077 1.392 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA3 GLY 1 HA2 -0.00 -0.07 0.18 -0.51 4.01 3.61 2eovA3 GLY 1 HA3 -0.00 -0.02 0.13 -0.51 4.01 3.61 2eovA3 SER 2 H -0.00 0.11 0.11 -0.55 8.46 8.13 2eovA3 SER 2 HA -0.00 0.22 0.93 -0.75 4.49 4.89 2eovA3 SER 2 HB2 -0.00 -0.00 0.02 -0.04 3.95 3.93 2eovA3 SER 2 HB3 -0.00 0.02 -0.06 -0.04 3.93 3.85 2eovA3 SER 3 H -0.00 0.22 0.13 -0.55 8.46 8.26 2eovA3 SER 3 HA -0.01 0.15 0.92 -0.75 4.49 4.80 2eovA3 SER 3 HB2 -0.00 0.01 -0.01 -0.04 3.95 3.91 2eovA3 SER 3 HB3 -0.00 0.05 -0.10 -0.04 3.93 3.83 2eovA3 GLY 4 H -0.01 0.20 -0.03 -0.55 8.43 8.05 2eovA3 GLY 4 HA2 -0.01 0.04 0.33 -0.51 4.01 3.86 2eovA3 GLY 4 HA3 -0.01 0.07 0.53 -0.51 4.01 4.09 2eovA3 SER 5 H -0.01 0.23 0.06 -0.55 8.46 8.20 2eovA3 SER 5 HA -0.01 0.20 0.91 -0.75 4.49 4.84 2eovA3 SER 5 HB2 -0.01 -0.04 0.04 -0.04 3.95 3.89 2eovA3 SER 5 HB3 -0.01 0.05 -0.12 -0.04 3.93 3.81 2eovA3 SER 6 H -0.02 0.16 0.12 -0.55 8.46 8.17 2eovA3 SER 6 HA -0.02 0.10 0.38 -0.75 4.49 4.20 2eovA3 SER 6 HB2 -0.02 -0.00 0.18 -0.04 3.95 4.07 2eovA3 SER 6 HB3 -0.02 0.00 0.03 -0.04 3.93 3.90 2eovA3 GLY 7 H -0.02 0.10 -0.17 -0.55 8.43 7.79 2eovA3 GLY 7 HA2 -0.02 0.04 0.21 -0.51 4.01 3.72 2eovA3 GLY 7 HA3 -0.03 0.21 0.71 -0.51 4.01 4.39 2eovA3 THR 8 H -0.04 0.10 -0.06 -0.55 8.28 7.73 2eovA3 THR 8 HA -0.07 0.11 0.57 -0.75 4.39 4.25 2eovA3 THR 8 HB -0.05 -0.01 0.05 -0.04 4.32 4.26 2eovA3 THR 8 HG23 -0.08 0.02 -0.17 -0.04 1.22 0.94 2eovA3 GLY 9 H -0.06 0.12 -0.09 -0.55 8.43 7.85 2eovA3 GLY 9 HA2 -0.04 0.21 0.79 -0.51 4.01 4.47 2eovA3 GLY 9 HA3 -0.03 -0.03 0.30 -0.51 4.01 3.73 2eovA3 GLU 10 H -0.04 0.13 0.10 -0.55 8.60 8.25 2eovA3 GLU 10 HA -0.04 0.12 0.48 -0.75 4.29 4.09 2eovA3 GLU 10 HB2 -0.03 -0.03 0.18 -0.04 2.09 2.16 2eovA3 GLU 10 HB3 -0.04 0.02 0.01 -0.04 1.99 1.93 2eovA3 GLU 10 HG2 -0.03 -0.04 0.04 -0.04 2.34 2.27 2eovA3 GLU 10 HG3 -0.03 0.04 0.04 -0.04 2.34 2.35 2eovA3 LYS 11 H -0.05 0.15 0.06 -0.55 8.42 8.03 2eovA3 LYS 11 HA -0.09 0.24 0.72 -0.75 4.32 4.43 2eovA3 LYS 11 HB2 0.01 -0.01 0.06 -0.04 1.87 1.89 2eovA3 LYS 11 HB3 0.01 0.26 -0.01 -0.04 1.79 2.01 2eovA3 LYS 11 HG2 -0.04 -0.09 -0.67 -0.04 1.46 0.62 2eovA3 LYS 11 HG3 -0.03 -0.12 -0.35 -0.04 1.46 0.91 2eovA3 LYS 11 HD2 -0.04 -0.13 -0.13 -0.04 1.69 1.34 2eovA3 LYS 11 HD3 -0.07 0.29 0.21 -0.04 1.68 2.07 2eovA3 LYS 11 HE2 -0.05 0.04 -0.07 -0.04 2.99 2.87 2eovA3 LYS 11 HE3 -0.04 -0.11 -0.10 -0.04 2.99 2.71 2eovA3 PRO 12 HA -0.26 0.07 0.40 -0.51 4.44 4.13 2eovA3 PRO 12 HB2 -0.97 0.01 0.09 -0.04 2.28 1.37 2eovA3 PRO 12 HB3 -0.35 0.01 0.11 -0.04 2.02 1.75 2eovA3 PRO 12 HG2 -0.76 0.08 0.07 -0.04 2.03 1.38 2eovA3 PRO 12 HG3 -0.33 0.04 0.11 -0.04 2.03 1.80 2eovA3 PRO 12 HD2 -0.16 0.14 0.29 -0.04 3.68 3.91 2eovA3 PRO 12 HD3 -0.19 0.15 0.15 -0.04 3.65 3.72 2eovA3 TYR 13 H -0.08 0.11 -0.66 -0.55 8.29 7.11 2eovA3 TYR 13 HA 0.02 0.16 0.80 -0.75 4.56 4.79 2eovA3 TYR 13 HB2 0.08 0.10 -0.14 -0.04 3.06 3.06 2eovA3 TYR 13 HB3 0.01 -0.03 -0.06 -0.04 2.98 2.86 2eovA3 TYR 13 HD2 -0.00 0.09 -0.20 -0.04 7.15 6.99 2eovA3 TYR 13 HE2 -0.05 0.09 0.05 -0.04 6.85 6.90 2eovA3 LYS 14 H 0.15 0.25 0.13 -0.55 8.42 8.39 2eovA3 LYS 14 HA 0.29 0.14 0.93 -0.75 4.32 4.93 2eovA3 LYS 14 HB2 0.08 -0.01 -0.12 -0.04 1.87 1.78 2eovA3 LYS 14 HB3 0.07 -0.03 -0.03 -0.04 1.79 1.76 2eovA3 LYS 14 HG2 0.08 0.17 -0.28 -0.04 1.46 1.39 2eovA3 LYS 14 HG3 0.10 0.16 -0.10 -0.04 1.46 1.58 2eovA3 LYS 14 HD2 0.03 -0.06 -0.08 -0.04 1.69 1.54 2eovA3 LYS 14 HD3 0.04 0.04 -0.07 -0.04 1.68 1.64 2eovA3 LYS 14 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.91 2eovA3 LYS 14 HE3 0.03 0.09 -0.19 -0.04 2.99 2.87 2eovA3 CYS 15 H 0.33 0.73 0.21 -0.55 8.50 9.22 2eovA3 CYS 15 HA 0.02 0.11 0.58 -0.75 4.58 4.54 2eovA3 CYS 15 HB2 -0.01 0.09 0.02 -0.04 2.97 3.03 2eovA3 CYS 15 HB3 0.31 -0.22 0.18 -0.04 2.97 3.19 2eovA3 SER 16 H 0.05 0.08 0.19 -0.55 8.46 8.23 2eovA3 SER 16 HA 0.03 0.27 0.74 -0.75 4.49 4.78 2eovA3 SER 16 HB2 0.01 0.06 0.04 -0.04 3.95 4.01 2eovA3 SER 16 HB3 0.02 0.04 0.02 -0.04 3.93 3.97 2eovA3 ASP 17 H 0.02 -0.06 0.10 -0.55 8.40 7.92 2eovA3 ASP 17 HA -0.14 0.09 0.43 -0.75 4.63 4.25 2eovA3 ASP 17 HB2 -0.48 -0.13 0.15 -0.04 2.71 2.21 2eovA3 ASP 17 HB3 -0.72 0.14 0.11 -0.04 2.70 2.19 2eovA3 CYS 18 H -0.00 -0.13 -0.13 -0.55 8.50 7.68 2eovA3 CYS 18 HA -0.45 0.26 0.83 -0.75 4.58 4.46 2eovA3 CYS 18 HB2 -0.04 0.07 -0.08 -0.04 2.97 2.87 2eovA3 CYS 18 HB3 -0.12 0.06 -0.07 -0.04 2.97 2.80 2eovA3 GLY 19 H 0.11 -0.26 -0.08 -0.55 8.43 7.65 2eovA3 GLY 19 HA2 0.06 0.36 0.24 -0.51 4.01 4.16 2eovA3 GLY 19 HA3 0.03 0.25 0.89 -0.51 4.01 4.67 2eovA3 LYS 20 H 0.17 -0.19 0.13 -0.55 8.42 7.97 2eovA3 LYS 20 HA -0.06 0.23 0.69 -0.75 4.32 4.43 2eovA3 LYS 20 HB2 0.05 -0.03 0.05 -0.04 1.87 1.90 2eovA3 LYS 20 HB3 -0.36 -0.02 -0.04 -0.04 1.79 1.33 2eovA3 LYS 20 HG2 -0.53 0.08 0.12 -0.04 1.46 1.09 2eovA3 LYS 20 HG3 -0.14 0.05 0.08 -0.04 1.46 1.41 2eovA3 LYS 20 HD2 0.05 -0.00 -0.02 -0.04 1.69 1.68 2eovA3 LYS 20 HD3 -0.19 -0.01 -0.01 -0.04 1.68 1.43 2eovA3 LYS 20 HE2 -0.08 0.01 0.01 -0.04 2.99 2.89 2eovA3 LYS 20 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.95 2eovA3 SER 21 H -0.32 0.17 0.19 -0.55 8.46 7.95 2eovA3 SER 21 HA 0.06 0.25 1.03 -0.75 4.49 5.08 2eovA3 SER 21 HB2 -0.14 -0.01 0.08 -0.04 3.95 3.83 2eovA3 SER 21 HB3 -0.05 0.02 0.00 -0.04 3.93 3.85 2eovA3 PHE 22 H 0.25 0.71 0.23 -0.55 8.34 8.97 2eovA3 PHE 22 HA 0.03 0.12 0.74 -0.75 4.62 4.75 2eovA3 PHE 22 HB2 0.07 -0.01 -0.23 -0.04 3.15 2.94 2eovA3 PHE 22 HB3 0.06 -0.06 -0.07 -0.04 3.06 2.95 2eovA3 PHE 22 HD2 -0.02 0.02 -0.28 -0.04 7.28 6.95 2eovA3 PHE 22 HE2 -0.26 -0.00 -0.18 -0.04 7.38 6.90 2eovA3 PHE 22 HZ -1.93 -0.01 -0.10 -0.04 7.32 5.25 2eovA3 THR 23 H 0.15 0.15 0.12 -0.55 8.28 8.15 2eovA3 THR 23 HA -0.01 0.16 0.65 -0.75 4.39 4.44 2eovA3 THR 23 HB -0.09 -0.04 0.10 -0.04 4.32 4.26 2eovA3 THR 23 HG23 -0.45 0.01 0.01 -0.04 1.22 0.75 2eovA3 TRP 24 H 0.31 0.05 -0.00 -0.55 7.97 7.78 2eovA3 TRP 24 HA 0.08 0.24 0.88 -0.75 4.62 5.06 2eovA3 TRP 24 HB2 0.04 -0.02 0.17 -0.04 3.23 3.38 2eovA3 TRP 24 HB3 -0.01 -0.04 0.04 -0.04 3.23 3.18 2eovA3 TRP 24 HD1 0.05 -0.03 0.02 -0.04 7.22 7.23 2eovA3 TRP 24 HE1 0.03 0.05 -0.01 -0.04 10.20 10.23 2eovA3 TRP 24 HE3 0.02 -0.08 0.04 -0.04 7.59 7.53 2eovA3 TRP 24 HZ2 0.02 0.03 -0.01 -0.04 7.44 7.45 2eovA3 TRP 24 HZ3 0.03 0.02 0.02 -0.04 7.13 7.15 2eovA3 TRP 24 HH2 0.02 0.03 0.00 -0.04 7.19 7.21 2eovA3 LYS 25 H -0.38 0.33 0.06 -0.55 8.42 7.88 2eovA3 LYS 25 HA -0.64 0.07 0.23 -0.75 4.32 3.23 2eovA3 LYS 25 HB2 -0.51 0.05 -0.03 -0.04 1.87 1.34 2eovA3 LYS 25 HB3 -2.28 0.12 0.06 -0.04 1.79 -0.35 2eovA3 LYS 25 HG2 -0.24 -0.02 0.13 -0.04 1.46 1.29 2eovA3 LYS 25 HG3 -0.15 -0.05 0.02 -0.04 1.46 1.23 2eovA3 LYS 25 HD2 -0.07 0.07 0.02 -0.04 1.69 1.66 2eovA3 LYS 25 HD3 0.01 0.02 0.02 -0.04 1.68 1.69 2eovA3 LYS 25 HE2 -0.06 -0.02 -0.04 -0.04 2.99 2.83 2eovA3 LYS 25 HE3 -0.15 -0.00 -0.03 -0.04 2.99 2.76 2eovA3 SER 26 H -0.01 0.10 -0.26 -0.55 8.46 7.74 2eovA3 SER 26 HA -0.06 0.09 0.31 -0.75 4.49 4.07 2eovA3 SER 26 HB2 0.04 -0.06 0.03 -0.04 3.95 3.91 2eovA3 SER 26 HB3 -0.03 0.07 -0.07 -0.04 3.93 3.87 2eovA3 ARG 27 H 0.09 0.15 -0.29 -0.55 8.46 7.85 2eovA3 ARG 27 HA 0.02 0.05 0.35 -0.75 4.34 4.01 2eovA3 ARG 27 HB2 0.21 0.08 0.09 -0.04 1.90 2.24 2eovA3 ARG 27 HB3 0.18 0.01 0.03 -0.04 1.80 1.97 2eovA3 ARG 27 HG2 0.18 -0.08 0.08 -0.04 1.67 1.81 2eovA3 ARG 27 HG3 0.25 -0.03 0.07 -0.04 1.67 1.92 2eovA3 ARG 27 HD2 0.06 0.03 0.03 -0.04 3.22 3.30 2eovA3 ARG 27 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 2eovA3 LEU 28 H -0.13 0.34 -0.24 -0.55 8.37 7.79 2eovA3 LEU 28 HA -0.78 -0.03 0.28 -0.75 4.35 3.07 2eovA3 LEU 28 HB2 -0.52 -0.05 -0.08 -0.04 1.64 0.95 2eovA3 LEU 28 HB3 -0.25 0.24 0.11 -0.04 1.64 1.69 2eovA3 LEU 28 HG -0.22 0.00 -0.35 -0.04 1.64 1.04 2eovA3 LEU 28 HD13 -0.76 -0.01 -0.29 -0.04 0.93 -0.17 2eovA3 LEU 28 HD23 -0.08 0.05 -0.14 -0.04 0.89 0.68 2eovA3 ARG 29 H -0.13 0.49 -0.15 -0.55 8.46 8.11 2eovA3 ARG 29 HA -0.07 -0.01 0.33 -0.75 4.34 3.84 2eovA3 ARG 29 HB2 -0.05 0.24 0.14 -0.04 1.90 2.19 2eovA3 ARG 29 HB3 -0.04 -0.03 0.03 -0.04 1.80 1.72 2eovA3 ARG 29 HG2 -0.06 -0.02 0.02 -0.04 1.67 1.58 2eovA3 ARG 29 HG3 -0.10 0.06 0.01 -0.04 1.67 1.61 2eovA3 ARG 29 HD2 -0.07 -0.08 -0.10 -0.04 3.22 2.94 2eovA3 ARG 29 HD3 -0.05 0.03 0.05 -0.04 3.22 3.21 2eovA3 ILE 30 H -0.05 0.38 -0.40 -0.55 8.25 7.64 2eovA3 ILE 30 HA -0.03 0.06 0.59 -0.75 4.18 4.05 2eovA3 ILE 30 HB -0.00 0.13 0.16 -0.04 1.89 2.14 2eovA3 ILE 30 HG12 -0.02 -0.01 -0.00 -0.04 1.49 1.42 2eovA3 ILE 30 HG13 -0.03 0.03 0.01 -0.04 1.21 1.18 2eovA3 ILE 30 HG23 -0.02 -0.01 -0.10 -0.04 0.93 0.76 2eovA3 ILE 30 HD13 -0.02 -0.02 -0.02 -0.04 0.88 0.79 2eovA3 HIS 31 H 0.01 0.59 0.13 -0.55 8.41 8.59 2eovA3 HIS 31 HA -0.08 0.02 0.33 -0.75 4.63 4.14 2eovA3 HIS 31 HB2 0.02 -0.01 0.04 -0.04 3.26 3.27 2eovA3 HIS 31 HB3 -0.39 0.05 0.11 -0.04 3.20 2.92 2eovA3 HIS 31 HD2 0.11 -0.05 -0.23 -0.04 6.97 6.76 2eovA3 HIS 31 HE1 0.15 0.04 -0.03 -0.04 7.75 7.87 2eovA3 GLN 32 H -0.01 0.39 -0.81 -0.55 8.47 7.50 2eovA3 GLN 32 HA 0.21 -0.01 0.59 -0.75 4.36 4.40 2eovA3 GLN 32 HB2 0.00 0.25 0.13 -0.04 2.15 2.49 2eovA3 GLN 32 HB3 0.04 -0.02 0.02 -0.04 2.02 2.02 2eovA3 GLN 32 HG2 0.06 -0.17 0.03 -0.04 2.40 2.28 2eovA3 GLN 32 HG3 0.00 0.07 -0.09 -0.04 2.39 2.33 2eovA3 GLN 32 HE21 -0.07 -0.09 -0.10 -0.04 6.97 6.67 2eovA3 GLN 32 HE22 -0.04 0.02 -0.08 -0.04 7.69 7.55 2eovA3 LYS 33 H -0.02 0.33 0.09 -0.55 8.42 8.27 2eovA3 LYS 33 HA 0.01 0.08 0.49 -0.75 4.32 4.14 2eovA3 LYS 33 HB2 -0.01 -0.03 0.14 -0.04 1.87 1.93 2eovA3 LYS 33 HB3 -0.01 0.02 0.18 -0.04 1.79 1.94 2eovA3 LYS 33 HG2 -0.03 0.03 0.23 -0.04 1.46 1.65 2eovA3 LYS 33 HG3 -0.03 0.04 -0.32 -0.04 1.46 1.11 2eovA3 LYS 33 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 2eovA3 LYS 33 HD3 -0.02 -0.01 0.00 -0.04 1.68 1.61 2eovA3 LYS 33 HE2 -0.02 0.05 0.03 -0.04 2.99 3.02 2eovA3 LYS 33 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 2eovA3 CYS 34 H -0.10 0.37 -0.48 -0.55 8.50 7.74 2eovA3 CYS 34 HA -0.07 0.08 0.51 -0.75 4.58 4.34 2eovA3 CYS 34 HB2 -0.12 -0.05 0.07 -0.04 2.97 2.83 2eovA3 CYS 34 HB3 -0.12 0.06 -0.06 -0.04 2.97 2.82 2eovA3 HIS 35 H -0.05 0.31 -0.63 -0.55 8.41 7.48 2eovA3 HIS 35 HA -0.07 0.07 0.41 -0.75 4.63 4.28 2eovA3 HIS 35 HB2 -0.05 0.29 0.25 -0.04 3.26 3.71 2eovA3 HIS 35 HB3 -0.03 0.01 0.29 -0.04 3.20 3.42 2eovA3 HIS 35 HD2 -0.05 -0.05 0.21 -0.04 6.97 7.04 2eovA3 HIS 35 HE1 -0.01 -0.03 -0.06 -0.04 7.75 7.60 2eovA3 THR 36 H -0.01 0.67 -0.54 -0.55 8.28 7.85 2eovA3 THR 36 HA 0.03 0.08 0.65 -0.75 4.39 4.40 2eovA3 THR 36 HB 0.01 -0.04 0.08 -0.04 4.32 4.33 2eovA3 THR 36 HG23 0.00 0.00 -0.05 -0.04 1.22 1.13 2eovA3 GLY 37 H 0.05 0.23 0.08 -0.55 8.43 8.25 2eovA3 GLY 37 HA2 0.03 -0.01 0.26 -0.51 4.01 3.78 2eovA3 GLY 37 HA3 0.03 0.22 0.94 -0.51 4.01 4.68 2eovA3 GLU 38 H 0.06 0.13 0.04 -0.55 8.60 8.28 2eovA3 GLU 38 HA 0.08 0.07 0.51 -0.75 4.29 4.20 2eovA3 GLU 38 HB2 0.12 0.11 -0.42 -0.04 2.09 1.86 2eovA3 GLU 38 HB3 0.17 -0.05 -0.04 -0.04 1.99 2.04 2eovA3 GLU 38 HG2 0.31 -0.02 -0.18 -0.04 2.34 2.40 2eovA3 GLU 38 HG3 0.16 0.04 0.05 -0.04 2.34 2.55 2eovA3 ARG 39 H 0.08 0.25 0.11 -0.55 8.46 8.35 2eovA3 ARG 39 HA 0.06 0.13 0.96 -0.75 4.34 4.74 2eovA3 ARG 39 HB2 0.03 0.00 0.07 -0.04 1.90 1.95 2eovA3 ARG 39 HB3 0.03 0.09 0.00 -0.04 1.80 1.88 2eovA3 ARG 39 HG2 0.03 -0.13 -0.44 -0.04 1.67 1.09 2eovA3 ARG 39 HG3 0.02 0.00 -0.05 -0.04 1.67 1.61 2eovA3 ARG 39 HD2 0.01 -0.00 0.05 -0.04 3.22 3.23 2eovA3 ARG 39 HD3 0.00 0.02 0.19 -0.04 3.22 3.38 2eovA3 HIS 40 H 0.14 0.07 0.20 -0.55 8.41 8.28 2eovA3 HIS 40 HA -0.01 0.20 0.92 -0.75 4.63 4.99 2eovA3 HIS 40 HB2 -0.03 0.14 0.21 -0.04 3.26 3.54 2eovA3 HIS 40 HB3 -0.01 0.00 0.03 -0.04 3.20 3.18 2eovA3 HIS 40 HD2 0.01 0.02 0.02 -0.04 6.97 6.98 2eovA3 HIS 40 HE1 0.02 -0.04 -0.14 -0.04 7.75 7.56 2eovA3 SER 41 H 0.07 -0.04 0.20 -0.55 8.46 8.14 2eovA3 SER 41 HA 0.04 0.02 0.42 -0.75 4.49 4.22 2eovA3 SER 41 HB2 0.02 -0.06 0.19 -0.04 3.95 4.05 2eovA3 SER 41 HB3 0.01 0.01 0.00 -0.04 3.93 3.92 2eovA3 GLY 42 H 0.02 0.10 0.25 -0.55 8.43 8.26 2eovA3 GLY 42 HA2 0.01 -0.07 0.32 -0.51 4.01 3.76 2eovA3 GLY 42 HA3 0.01 0.21 0.79 -0.51 4.01 4.50 2eovA3 PRO 43 HA 0.00 0.06 0.46 -0.51 4.44 4.45 2eovA3 PRO 43 HB2 -0.00 0.02 0.02 -0.04 2.28 2.27 2eovA3 PRO 43 HB3 0.00 0.01 0.12 -0.04 2.02 2.11 2eovA3 PRO 43 HG2 -0.00 0.04 0.01 -0.04 2.03 2.04 2eovA3 PRO 43 HG3 -0.00 0.02 0.07 -0.04 2.03 2.07 2eovA3 PRO 43 HD2 0.00 0.15 0.22 -0.04 3.68 4.01 2eovA3 PRO 43 HD3 0.00 0.08 0.18 -0.04 3.65 3.87 2eovA3 SER 44 H -0.00 0.21 0.20 -0.55 8.46 8.32 2eovA3 SER 44 HA -0.01 0.08 0.46 -0.75 4.49 4.26 2eovA3 SER 44 HB2 -0.02 -0.04 0.05 -0.04 3.95 3.90 2eovA3 SER 44 HB3 -0.02 0.28 -0.18 -0.04 3.93 3.97 2eovA3 SER 45 H -0.01 0.17 0.10 -0.55 8.46 8.17 2eovA3 SER 45 HA -0.00 0.03 0.47 -0.75 4.49 4.24 2eovA3 SER 45 HB2 -0.01 0.01 0.21 -0.04 3.95 4.12 2eovA3 SER 45 HB3 -0.00 0.03 0.05 -0.04 3.93 3.96 2eovA3 GLY 46 H -0.00 0.24 0.24 -0.55 8.43 8.35 2eovA3 GLY 46 HA2 -0.00 0.02 0.16 -0.51 4.01 3.68 2eovA3 GLY 46 HA3 -0.00 0.22 0.61 -0.51 4.01 4.33