============================================================================= 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 -0.988 -8.408 0.849 -99.200 -91.000 PHE 22 1.000 -1.323 -0.747 -3.326 -99.200 -91.000 TRP 24 1.040 1.773 -7.673 -6.577 -99.200 -91.000 TRP6 24 1.020 0.228 -5.971 -7.112 -99.200 -91.000 HIS 31 0.900 -0.530 3.840 -2.680 -99.200 -91.000 HIS 35 0.900 -0.669 7.666 0.126 -99.200 -91.000 HIS 40 0.900 1.856 22.701 -10.241 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA20 GLY 1 HA2 -0.00 0.08 0.17 -0.51 4.01 3.74 2eovA20 GLY 1 HA3 -0.00 -0.03 0.12 -0.51 4.01 3.60 2eovA20 SER 2 H -0.00 0.14 0.08 -0.55 8.46 8.13 2eovA20 SER 2 HA -0.00 0.06 0.38 -0.75 4.49 4.18 2eovA20 SER 2 HB2 0.00 0.00 0.14 -0.04 3.95 4.05 2eovA20 SER 2 HB3 0.00 -0.09 0.13 -0.04 3.93 3.93 2eovA20 SER 3 H -0.00 -0.05 -0.06 -0.55 8.46 7.80 2eovA20 SER 3 HA -0.00 0.25 0.87 -0.75 4.49 4.85 2eovA20 SER 3 HB2 0.00 -0.03 -0.04 -0.04 3.95 3.83 2eovA20 SER 3 HB3 -0.00 -0.03 -0.00 -0.04 3.93 3.86 2eovA20 GLY 4 H -0.00 -0.06 0.01 -0.55 8.43 7.83 2eovA20 GLY 4 HA2 -0.00 -0.05 0.30 -0.51 4.01 3.75 2eovA20 GLY 4 HA3 -0.00 0.07 0.29 -0.51 4.01 3.86 2eovA20 SER 5 H -0.01 0.07 0.09 -0.55 8.46 8.06 2eovA20 SER 5 HA -0.01 0.21 0.91 -0.75 4.49 4.85 2eovA20 SER 5 HB2 -0.01 0.21 0.02 -0.04 3.95 4.13 2eovA20 SER 5 HB3 -0.01 -0.07 0.22 -0.04 3.93 4.02 2eovA20 SER 6 H -0.01 0.33 -0.11 -0.55 8.46 8.12 2eovA20 SER 6 HA -0.02 0.11 0.89 -0.75 4.49 4.72 2eovA20 SER 6 HB2 -0.01 0.03 -0.05 -0.04 3.95 3.87 2eovA20 SER 6 HB3 -0.01 -0.00 -0.12 -0.04 3.93 3.76 2eovA20 GLY 7 H -0.02 0.08 -0.09 -0.55 8.43 7.86 2eovA20 GLY 7 HA2 -0.01 0.11 0.39 -0.51 4.01 3.99 2eovA20 GLY 7 HA3 -0.01 0.08 0.32 -0.51 4.01 3.88 2eovA20 THR 8 H -0.02 0.14 0.05 -0.55 8.28 7.91 2eovA20 THR 8 HA -0.02 0.09 0.42 -0.75 4.39 4.13 2eovA20 THR 8 HB -0.02 0.04 0.03 -0.04 4.32 4.32 2eovA20 THR 8 HG23 -0.01 0.01 0.04 -0.04 1.22 1.21 2eovA20 GLY 9 H -0.02 0.00 -0.11 -0.55 8.43 7.75 2eovA20 GLY 9 HA2 -0.03 0.01 0.28 -0.51 4.01 3.76 2eovA20 GLY 9 HA3 -0.04 0.16 0.51 -0.51 4.01 4.14 2eovA20 GLU 10 H -0.04 0.17 0.09 -0.55 8.60 8.27 2eovA20 GLU 10 HA -0.05 0.21 0.92 -0.75 4.29 4.61 2eovA20 GLU 10 HB2 -0.04 0.06 0.00 -0.04 2.09 2.07 2eovA20 GLU 10 HB3 -0.04 -0.05 0.15 -0.04 1.99 2.00 2eovA20 GLU 10 HG2 -0.03 0.11 -0.15 -0.04 2.34 2.22 2eovA20 GLU 10 HG3 -0.03 -0.09 -0.09 -0.04 2.34 2.09 2eovA20 LYS 11 H -0.06 0.08 0.12 -0.55 8.42 8.01 2eovA20 LYS 11 HA -0.11 0.11 0.46 -0.75 4.32 4.02 2eovA20 LYS 11 HB2 -0.04 -0.05 0.09 -0.04 1.87 1.83 2eovA20 LYS 11 HB3 -0.00 0.18 0.05 -0.04 1.79 1.98 2eovA20 LYS 11 HG2 -0.17 -0.18 -0.64 -0.04 1.46 0.42 2eovA20 LYS 11 HG3 -0.18 0.02 -0.08 -0.04 1.46 1.17 2eovA20 LYS 11 HD2 -0.09 -0.01 -0.01 -0.04 1.69 1.53 2eovA20 LYS 11 HD3 -0.14 -0.00 -0.09 -0.04 1.68 1.40 2eovA20 LYS 11 HE2 -0.13 0.01 -0.10 -0.04 2.99 2.73 2eovA20 LYS 11 HE3 -0.10 -0.07 -0.40 -0.04 2.99 2.38 2eovA20 PRO 12 HA -0.21 0.11 0.39 -0.51 4.44 4.22 2eovA20 PRO 12 HB2 -0.70 -0.01 0.05 -0.04 2.28 1.57 2eovA20 PRO 12 HB3 -0.29 0.04 0.13 -0.04 2.02 1.86 2eovA20 PRO 12 HG2 -0.92 -0.01 0.00 -0.04 2.03 1.07 2eovA20 PRO 12 HG3 -0.29 0.04 0.08 -0.04 2.03 1.82 2eovA20 PRO 12 HD2 -0.15 0.07 0.28 -0.04 3.68 3.83 2eovA20 PRO 12 HD3 -0.17 0.19 0.23 -0.04 3.65 3.86 2eovA20 TYR 13 H -0.07 0.12 -0.49 -0.55 8.29 7.31 2eovA20 TYR 13 HA 0.03 0.20 0.91 -0.75 4.56 4.94 2eovA20 TYR 13 HB2 0.11 0.08 -0.01 -0.04 3.06 3.20 2eovA20 TYR 13 HB3 0.07 -0.05 -0.05 -0.04 2.98 2.91 2eovA20 TYR 13 HD2 -0.02 0.13 -0.16 -0.04 7.15 7.06 2eovA20 TYR 13 HE2 -0.03 0.09 -0.17 -0.04 6.85 6.70 2eovA20 LYS 14 H 0.18 0.22 0.08 -0.55 8.42 8.35 2eovA20 LYS 14 HA 0.19 0.18 0.83 -0.75 4.32 4.76 2eovA20 LYS 14 HB2 0.06 0.10 -0.21 -0.04 1.87 1.78 2eovA20 LYS 14 HB3 0.07 -0.04 -0.01 -0.04 1.79 1.77 2eovA20 LYS 14 HG2 0.09 -0.05 -0.23 -0.04 1.46 1.23 2eovA20 LYS 14 HG3 0.07 0.18 0.05 -0.04 1.46 1.72 2eovA20 LYS 14 HD2 0.03 0.01 -0.09 -0.04 1.69 1.60 2eovA20 LYS 14 HD3 0.04 -0.04 -0.11 -0.04 1.68 1.53 2eovA20 LYS 14 HE2 0.04 0.01 -0.12 -0.04 2.99 2.88 2eovA20 LYS 14 HE3 0.02 -0.01 -0.07 -0.04 2.99 2.89 2eovA20 CYS 15 H 0.24 0.25 0.06 -0.55 8.50 8.50 2eovA20 CYS 15 HA 0.11 0.09 0.47 -0.75 4.58 4.49 2eovA20 CYS 15 HB2 0.22 0.08 0.10 -0.04 2.97 3.33 2eovA20 CYS 15 HB3 0.24 -0.29 0.28 -0.04 2.97 3.16 2eovA20 SER 16 H 0.08 0.20 0.21 -0.55 8.46 8.41 2eovA20 SER 16 HA 0.06 0.18 0.59 -0.75 4.49 4.56 2eovA20 SER 16 HB2 0.05 -0.02 0.19 -0.04 3.95 4.13 2eovA20 SER 16 HB3 0.03 0.04 0.23 -0.04 3.93 4.19 2eovA20 ASP 17 H 0.10 -0.07 -0.67 -0.55 8.40 7.21 2eovA20 ASP 17 HA -0.01 0.26 0.84 -0.75 4.63 4.97 2eovA20 ASP 17 HB2 0.07 -0.12 -0.03 -0.04 2.71 2.59 2eovA20 ASP 17 HB3 -0.20 0.08 0.00 -0.04 2.70 2.54 2eovA20 CYS 18 H 0.12 -0.24 0.08 -0.55 8.50 7.92 2eovA20 CYS 18 HA 0.02 0.28 0.89 -0.75 4.58 5.01 2eovA20 CYS 18 HB2 0.14 0.07 -0.03 -0.04 2.97 3.12 2eovA20 CYS 18 HB3 0.04 0.07 -0.12 -0.04 2.97 2.92 2eovA20 GLY 19 H 0.15 -0.17 0.21 -0.55 8.43 8.07 2eovA20 GLY 19 HA2 0.07 0.12 0.36 -0.51 4.01 4.05 2eovA20 GLY 19 HA3 0.06 0.25 0.99 -0.51 4.01 4.81 2eovA20 LYS 20 H 0.14 0.01 0.30 -0.55 8.42 8.32 2eovA20 LYS 20 HA -0.01 0.32 0.95 -0.75 4.32 4.82 2eovA20 LYS 20 HB2 0.18 -0.13 0.09 -0.04 1.87 1.97 2eovA20 LYS 20 HB3 -0.27 0.01 0.09 -0.04 1.79 1.58 2eovA20 LYS 20 HG2 0.09 0.05 -0.32 -0.04 1.46 1.25 2eovA20 LYS 20 HG3 0.07 0.00 -0.06 -0.04 1.46 1.43 2eovA20 LYS 20 HD2 -0.18 -0.01 0.01 -0.04 1.69 1.48 2eovA20 LYS 20 HD3 -0.09 0.04 0.08 -0.04 1.68 1.66 2eovA20 LYS 20 HE2 0.01 0.03 -0.01 -0.04 2.99 2.97 2eovA20 LYS 20 HE3 0.09 0.03 -0.08 -0.04 2.99 2.98 2eovA20 SER 21 H -0.25 0.24 0.16 -0.55 8.46 8.06 2eovA20 SER 21 HA 0.11 0.27 1.01 -0.75 4.49 5.13 2eovA20 SER 21 HB2 -0.08 -0.02 0.11 -0.04 3.95 3.92 2eovA20 SER 21 HB3 -0.05 -0.03 0.05 -0.04 3.93 3.86 2eovA20 PHE 22 H 0.35 0.37 0.04 -0.55 8.34 8.56 2eovA20 PHE 22 HA 0.16 0.23 0.96 -0.75 4.62 5.21 2eovA20 PHE 22 HB2 0.15 0.03 -0.04 -0.04 3.15 3.24 2eovA20 PHE 22 HB3 0.50 -0.11 0.04 -0.04 3.06 3.45 2eovA20 PHE 22 HD2 0.15 -0.05 -0.25 -0.04 7.28 7.10 2eovA20 PHE 22 HE2 -0.16 -0.02 -0.09 -0.04 7.38 7.07 2eovA20 PHE 22 HZ -1.25 0.04 -0.04 -0.04 7.32 6.03 2eovA20 THR 23 H -1.19 0.17 0.15 -0.55 8.28 6.87 2eovA20 THR 23 HA -0.23 0.20 0.81 -0.75 4.39 4.42 2eovA20 THR 23 HB -2.33 -0.01 0.05 -0.04 4.32 1.99 2eovA20 THR 23 HG23 -0.44 0.02 0.11 -0.04 1.22 0.87 2eovA20 TRP 24 H 0.29 0.06 -0.11 -0.55 7.97 7.67 2eovA20 TRP 24 HA -0.07 0.28 0.88 -0.75 4.62 4.96 2eovA20 TRP 24 HB2 -0.04 -0.22 -0.00 -0.04 3.23 2.93 2eovA20 TRP 24 HB3 -0.03 0.06 0.11 -0.04 3.23 3.32 2eovA20 TRP 24 HD1 0.02 0.06 -0.03 -0.04 7.22 7.22 2eovA20 TRP 24 HE1 0.03 0.08 -0.03 -0.04 10.20 10.23 2eovA20 TRP 24 HE3 0.20 -0.03 0.07 -0.04 7.59 7.79 2eovA20 TRP 24 HZ2 0.02 0.09 0.00 -0.04 7.44 7.52 2eovA20 TRP 24 HZ3 0.09 0.13 0.11 -0.04 7.13 7.42 2eovA20 TRP 24 HH2 -0.00 0.12 0.04 -0.04 7.19 7.30 2eovA20 LYS 25 H -0.13 0.24 0.13 -0.55 8.42 8.10 2eovA20 LYS 25 HA -0.54 0.16 0.45 -0.75 4.32 3.64 2eovA20 LYS 25 HB2 -0.10 -0.02 0.16 -0.04 1.87 1.87 2eovA20 LYS 25 HB3 -0.11 0.07 -0.02 -0.04 1.79 1.68 2eovA20 LYS 25 HG2 -0.16 0.04 0.01 -0.04 1.46 1.31 2eovA20 LYS 25 HG3 -0.59 -0.00 -0.03 -0.04 1.46 0.79 2eovA20 LYS 25 HD2 0.08 0.01 0.02 -0.04 1.69 1.76 2eovA20 LYS 25 HD3 0.02 0.01 0.01 -0.04 1.68 1.67 2eovA20 LYS 25 HE2 0.10 0.02 -0.00 -0.04 2.99 3.07 2eovA20 LYS 25 HE3 0.21 0.01 -0.01 -0.04 2.99 3.15 2eovA20 SER 26 H -0.01 0.10 0.01 -0.55 8.46 8.01 2eovA20 SER 26 HA -0.05 0.16 0.47 -0.75 4.49 4.32 2eovA20 SER 26 HB2 -0.02 0.07 0.10 -0.04 3.95 4.06 2eovA20 SER 26 HB3 -0.02 -0.05 0.10 -0.04 3.93 3.93 2eovA20 ARG 27 H 0.02 0.05 -0.17 -0.55 8.46 7.81 2eovA20 ARG 27 HA -0.13 0.10 0.29 -0.75 4.34 3.85 2eovA20 ARG 27 HB2 0.31 -0.02 -0.02 -0.04 1.90 2.13 2eovA20 ARG 27 HB3 -0.28 0.08 0.02 -0.04 1.80 1.58 2eovA20 ARG 27 HG2 -0.22 -0.12 0.05 -0.04 1.67 1.34 2eovA20 ARG 27 HG3 -1.81 0.04 0.01 -0.04 1.67 -0.13 2eovA20 ARG 27 HD2 -0.47 0.05 0.02 -0.04 3.22 2.77 2eovA20 ARG 27 HD3 -0.29 -0.01 -0.02 -0.04 3.22 2.86 2eovA20 LEU 28 H -0.09 0.15 -0.86 -0.55 8.37 7.03 2eovA20 LEU 28 HA -1.14 0.02 0.39 -0.75 4.35 2.87 2eovA20 LEU 28 HB2 -0.32 0.02 0.03 -0.04 1.64 1.34 2eovA20 LEU 28 HB3 -0.23 0.26 0.10 -0.04 1.64 1.73 2eovA20 LEU 28 HG -0.24 -0.00 -0.24 -0.04 1.64 1.12 2eovA20 LEU 28 HD13 -0.66 -0.04 -0.08 -0.04 0.93 0.10 2eovA20 LEU 28 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.73 2eovA20 ARG 29 H -0.14 0.36 -0.07 -0.55 8.46 8.06 2eovA20 ARG 29 HA -0.07 0.01 0.36 -0.75 4.34 3.89 2eovA20 ARG 29 HB2 -0.07 0.13 0.23 -0.04 1.90 2.16 2eovA20 ARG 29 HB3 -0.05 0.01 -0.00 -0.04 1.80 1.72 2eovA20 ARG 29 HG2 -0.05 -0.03 0.07 -0.04 1.67 1.61 2eovA20 ARG 29 HG3 -0.07 0.10 0.14 -0.04 1.67 1.80 2eovA20 ARG 29 HD2 -0.03 0.02 0.00 -0.04 3.22 3.17 2eovA20 ARG 29 HD3 -0.03 -0.01 -0.00 -0.04 3.22 3.14 2eovA20 ILE 30 H -0.08 0.35 -0.16 -0.55 8.25 7.81 2eovA20 ILE 30 HA -0.05 0.04 0.30 -0.75 4.18 3.72 2eovA20 ILE 30 HB -0.05 0.11 0.03 -0.04 1.89 1.95 2eovA20 ILE 30 HG12 -0.06 0.00 -0.01 -0.04 1.49 1.38 2eovA20 ILE 30 HG13 -0.05 -0.01 0.01 -0.04 1.21 1.12 2eovA20 ILE 30 HG23 -0.04 0.00 -0.09 -0.04 0.93 0.76 2eovA20 ILE 30 HD13 -0.08 -0.02 -0.07 -0.04 0.88 0.67 2eovA20 HIS 31 H -0.06 0.27 -0.54 -0.55 8.41 7.54 2eovA20 HIS 31 HA -0.09 0.04 0.44 -0.75 4.63 4.28 2eovA20 HIS 31 HB2 0.03 0.00 0.10 -0.04 3.26 3.36 2eovA20 HIS 31 HB3 -0.42 0.19 0.23 -0.04 3.20 3.17 2eovA20 HIS 31 HD2 -0.00 -0.03 -0.15 -0.04 6.97 6.75 2eovA20 HIS 31 HE1 0.10 0.04 -0.06 -0.04 7.75 7.79 2eovA20 GLN 32 H -0.01 0.55 0.10 -0.55 8.47 8.56 2eovA20 GLN 32 HA 0.13 -0.06 0.33 -0.75 4.36 4.01 2eovA20 GLN 32 HB2 -0.01 0.13 0.13 -0.04 2.15 2.36 2eovA20 GLN 32 HB3 0.06 0.00 0.01 -0.04 2.02 2.05 2eovA20 GLN 32 HG2 0.19 -0.10 0.03 -0.04 2.40 2.48 2eovA20 GLN 32 HG3 0.01 0.06 0.01 -0.04 2.39 2.43 2eovA20 GLN 32 HE21 -0.04 -0.02 -0.10 -0.04 6.97 6.76 2eovA20 GLN 32 HE22 0.01 0.03 -0.03 -0.04 7.69 7.66 2eovA20 LYS 33 H -0.07 0.40 -0.65 -0.55 8.42 7.55 2eovA20 LYS 33 HA -0.02 0.02 0.46 -0.75 4.32 4.03 2eovA20 LYS 33 HB2 -0.05 0.17 0.09 -0.04 1.87 2.03 2eovA20 LYS 33 HB3 -0.03 -0.02 -0.02 -0.04 1.79 1.68 2eovA20 LYS 33 HG2 -0.02 -0.03 -0.03 -0.04 1.46 1.34 2eovA20 LYS 33 HG3 -0.03 0.02 -0.08 -0.04 1.46 1.33 2eovA20 LYS 33 HD2 -0.04 -0.08 -0.43 -0.04 1.69 1.10 2eovA20 LYS 33 HD3 -0.03 0.01 -0.07 -0.04 1.68 1.55 2eovA20 LYS 33 HE2 -0.02 0.02 -0.05 -0.04 2.99 2.90 2eovA20 LYS 33 HE3 -0.03 -0.06 -0.10 -0.04 2.99 2.76 2eovA20 CYS 34 H -0.16 0.40 -0.02 -0.55 8.50 8.17 2eovA20 CYS 34 HA -0.08 0.01 0.29 -0.75 4.58 4.04 2eovA20 CYS 34 HB2 -0.37 0.09 0.18 -0.04 2.97 2.83 2eovA20 CYS 34 HB3 -0.15 -0.06 -0.04 -0.04 2.97 2.67 2eovA20 HIS 35 H -0.37 0.31 -0.31 -0.55 8.41 7.50 2eovA20 HIS 35 HA -0.07 -0.05 0.25 -0.75 4.63 4.00 2eovA20 HIS 35 HB2 -0.06 0.26 0.06 -0.04 3.26 3.48 2eovA20 HIS 35 HB3 -0.03 -0.03 -0.05 -0.04 3.20 3.05 2eovA20 HIS 35 HD2 -0.01 -0.00 0.01 -0.04 6.97 6.92 2eovA20 HIS 35 HE1 0.11 -0.03 -0.09 -0.04 7.75 7.70 2eovA20 THR 36 H 0.06 0.23 -0.34 -0.55 8.28 7.68 2eovA20 THR 36 HA 0.03 -0.03 0.55 -0.75 4.39 4.18 2eovA20 THR 36 HB 0.01 -0.07 0.08 -0.04 4.32 4.30 2eovA20 THR 36 HG23 0.02 -0.01 0.04 -0.04 1.22 1.23 2eovA20 GLY 37 H 0.02 0.34 0.40 -0.55 8.43 8.64 2eovA20 GLY 37 HA2 0.00 -0.03 0.41 -0.51 4.01 3.88 2eovA20 GLY 37 HA3 -0.00 0.11 0.35 -0.51 4.01 3.96 2eovA20 GLU 38 H 0.00 0.17 0.17 -0.55 8.60 8.40 2eovA20 GLU 38 HA 0.01 0.20 1.02 -0.75 4.29 4.77 2eovA20 GLU 38 HB2 0.00 -0.01 -0.01 -0.04 2.09 2.03 2eovA20 GLU 38 HB3 0.00 -0.02 0.08 -0.04 1.99 2.01 2eovA20 GLU 38 HG2 -0.01 -0.03 -0.04 -0.04 2.34 2.22 2eovA20 GLU 38 HG3 0.01 0.01 -0.08 -0.04 2.34 2.24 2eovA20 ARG 39 H 0.03 0.26 0.17 -0.55 8.46 8.38 2eovA20 ARG 39 HA 0.04 0.13 0.81 -0.75 4.34 4.57 2eovA20 ARG 39 HB2 0.03 0.02 -0.03 -0.04 1.90 1.89 2eovA20 ARG 39 HB3 0.03 -0.01 -0.11 -0.04 1.80 1.67 2eovA20 ARG 39 HG2 0.01 -0.03 -0.10 -0.04 1.67 1.52 2eovA20 ARG 39 HG3 0.02 0.08 0.01 -0.04 1.67 1.73 2eovA20 ARG 39 HD2 0.00 0.04 -0.26 -0.04 3.22 2.96 2eovA20 ARG 39 HD3 0.02 -0.20 -0.81 -0.04 3.22 2.19 2eovA20 HIS 40 H 0.11 0.19 0.09 -0.55 8.41 8.25 2eovA20 HIS 40 HA 0.00 0.19 0.96 -0.75 4.63 5.03 2eovA20 HIS 40 HB2 0.00 -0.00 -0.01 -0.04 3.26 3.21 2eovA20 HIS 40 HB3 0.00 -0.01 0.18 -0.04 3.20 3.33 2eovA20 HIS 40 HD2 0.00 -0.01 -0.02 -0.04 6.97 6.89 2eovA20 HIS 40 HE1 0.00 0.01 -0.05 -0.04 7.75 7.66 2eovA20 SER 41 H 0.04 0.34 0.15 -0.55 8.46 8.45 2eovA20 SER 41 HA -0.17 0.09 0.61 -0.75 4.49 4.27 2eovA20 SER 41 HB2 -0.04 -0.03 0.03 -0.04 3.95 3.88 2eovA20 SER 41 HB3 -0.03 0.06 -0.25 -0.04 3.93 3.67 2eovA20 GLY 42 H -0.08 0.13 0.00 -0.55 8.43 7.93 2eovA20 GLY 42 HA2 -0.02 0.21 0.71 -0.51 4.01 4.40 2eovA20 GLY 42 HA3 -0.04 0.00 0.32 -0.51 4.01 3.78 2eovA20 PRO 43 HA -0.01 0.05 0.45 -0.51 4.44 4.41 2eovA20 PRO 43 HB2 -0.00 0.02 0.04 -0.04 2.28 2.30 2eovA20 PRO 43 HB3 -0.01 0.02 0.07 -0.04 2.02 2.06 2eovA20 PRO 43 HG2 0.00 0.05 0.10 -0.04 2.03 2.14 2eovA20 PRO 43 HG3 -0.00 0.04 0.02 -0.04 2.03 2.06 2eovA20 PRO 43 HD2 -0.01 0.19 -0.07 -0.04 3.68 3.76 2eovA20 PRO 43 HD3 -0.02 0.01 -0.08 -0.04 3.65 3.52 2eovA20 SER 44 H -0.01 0.29 0.22 -0.55 8.46 8.41 2eovA20 SER 44 HA -0.00 0.08 0.78 -0.75 4.49 4.59 2eovA20 SER 44 HB2 -0.00 0.06 -0.30 -0.04 3.95 3.67 2eovA20 SER 44 HB3 -0.00 0.03 -0.01 -0.04 3.93 3.92 2eovA20 SER 45 H 0.00 0.14 0.09 -0.55 8.46 8.14 2eovA20 SER 45 HA -0.00 0.08 0.38 -0.75 4.49 4.19 2eovA20 SER 45 HB2 0.00 -0.10 0.13 -0.04 3.95 3.94 2eovA20 SER 45 HB3 0.00 0.06 0.02 -0.04 3.93 3.97 2eovA20 GLY 46 H 0.00 0.00 -0.16 -0.55 8.43 7.73 2eovA20 GLY 46 HA2 0.00 0.02 0.13 -0.51 4.01 3.65 2eovA20 GLY 46 HA3 -0.00 0.19 0.22 -0.51 4.01 3.91