============================================================================= 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 -0.357 -7.899 0.574 -99.200 -91.000 PHE 22 1.000 -1.750 -0.682 -2.732 -99.200 -91.000 TRP 24 1.040 2.183 -9.547 -6.434 -99.200 -91.000 TRP6 24 1.020 3.873 -11.192 -6.367 -99.200 -91.000 HIS 31 0.900 -0.639 3.832 -2.421 -99.200 -91.000 HIS 35 0.900 -0.638 7.856 0.339 -99.200 -91.000 HIS 40 0.900 -5.490 9.166 -5.820 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA16 GLY 1 HA2 0.01 -0.09 0.21 -0.51 4.01 3.64 2eovA16 GLY 1 HA3 0.01 0.01 0.13 -0.51 4.01 3.64 2eovA16 SER 2 H 0.01 0.08 0.11 -0.55 8.46 8.12 2eovA16 SER 2 HA 0.01 0.07 0.67 -0.75 4.49 4.49 2eovA16 SER 2 HB2 0.01 -0.03 0.12 -0.04 3.95 4.00 2eovA16 SER 2 HB3 0.01 0.06 0.06 -0.04 3.93 4.01 2eovA16 SER 3 H 0.00 0.07 0.17 -0.55 8.46 8.16 2eovA16 SER 3 HA 0.01 0.15 0.41 -0.75 4.49 4.30 2eovA16 SER 3 HB2 -0.00 -0.03 0.13 -0.04 3.95 4.01 2eovA16 SER 3 HB3 0.00 0.10 0.13 -0.04 3.93 4.12 2eovA16 GLY 4 H -0.00 0.14 0.04 -0.55 8.43 8.06 2eovA16 GLY 4 HA2 0.01 0.25 0.74 -0.51 4.01 4.49 2eovA16 GLY 4 HA3 0.00 0.03 0.36 -0.51 4.01 3.89 2eovA16 SER 5 H -0.00 0.28 -0.41 -0.55 8.46 7.79 2eovA16 SER 5 HA -0.00 0.02 0.21 -0.75 4.49 3.96 2eovA16 SER 5 HB2 -0.00 0.10 -0.33 -0.04 3.95 3.68 2eovA16 SER 5 HB3 -0.00 -0.01 0.21 -0.04 3.93 4.08 2eovA16 SER 6 H -0.01 -0.01 -0.35 -0.55 8.46 7.55 2eovA16 SER 6 HA -0.02 0.18 0.85 -0.75 4.49 4.75 2eovA16 SER 6 HB2 -0.02 0.01 -0.09 -0.04 3.95 3.82 2eovA16 SER 6 HB3 -0.01 -0.04 0.09 -0.04 3.93 3.93 2eovA16 GLY 7 H -0.01 0.21 -0.06 -0.55 8.43 8.02 2eovA16 GLY 7 HA2 -0.01 0.21 0.79 -0.51 4.01 4.49 2eovA16 GLY 7 HA3 -0.00 -0.05 0.30 -0.51 4.01 3.74 2eovA16 THR 8 H -0.00 0.11 0.10 -0.55 8.28 7.93 2eovA16 THR 8 HA -0.00 0.04 0.43 -0.75 4.39 4.09 2eovA16 THR 8 HB -0.00 0.02 0.11 -0.04 4.32 4.40 2eovA16 THR 8 HG23 -0.00 -0.00 0.12 -0.04 1.22 1.30 2eovA16 GLY 9 H -0.00 0.18 0.14 -0.55 8.43 8.20 2eovA16 GLY 9 HA2 -0.00 0.00 0.46 -0.51 4.01 3.96 2eovA16 GLY 9 HA3 -0.00 0.07 0.30 -0.51 4.01 3.86 2eovA16 GLU 10 H -0.00 0.16 0.05 -0.55 8.60 8.26 2eovA16 GLU 10 HA -0.00 0.21 0.94 -0.75 4.29 4.69 2eovA16 GLU 10 HB2 -0.01 -0.05 0.05 -0.04 2.09 2.03 2eovA16 GLU 10 HB3 -0.01 -0.00 0.19 -0.04 1.99 2.12 2eovA16 GLU 10 HG2 -0.02 0.09 -0.09 -0.04 2.34 2.27 2eovA16 GLU 10 HG3 -0.01 0.01 -0.00 -0.04 2.34 2.29 2eovA16 LYS 11 H 0.01 0.27 0.09 -0.55 8.42 8.23 2eovA16 LYS 11 HA 0.02 0.19 0.91 -0.75 4.32 4.68 2eovA16 LYS 11 HB2 0.09 0.12 0.15 -0.04 1.87 2.19 2eovA16 LYS 11 HB3 0.14 0.18 0.11 -0.04 1.79 2.18 2eovA16 LYS 11 HG2 0.02 -0.09 -0.33 -0.04 1.46 1.02 2eovA16 LYS 11 HG3 0.03 -0.03 -0.22 -0.04 1.46 1.20 2eovA16 LYS 11 HD2 0.04 -0.02 -0.18 -0.04 1.69 1.49 2eovA16 LYS 11 HD3 0.08 -0.01 -0.14 -0.04 1.68 1.56 2eovA16 LYS 11 HE2 0.03 -0.01 -0.08 -0.04 2.99 2.88 2eovA16 LYS 11 HE3 0.02 0.21 -0.44 -0.04 2.99 2.73 2eovA16 PRO 12 HA -0.18 0.09 0.39 -0.51 4.44 4.22 2eovA16 PRO 12 HB2 -0.70 -0.02 0.09 -0.04 2.28 1.61 2eovA16 PRO 12 HB3 -0.23 0.02 0.13 -0.04 2.02 1.89 2eovA16 PRO 12 HG2 -0.19 0.06 0.03 -0.04 2.03 1.88 2eovA16 PRO 12 HG3 -0.12 0.01 0.12 -0.04 2.03 2.01 2eovA16 PRO 12 HD2 0.08 0.11 0.33 -0.04 3.68 4.16 2eovA16 PRO 12 HD3 -0.04 0.17 0.26 -0.04 3.65 4.00 2eovA16 TYR 13 H 0.09 0.14 -0.69 -0.55 8.29 7.28 2eovA16 TYR 13 HA 0.04 0.18 0.83 -0.75 4.56 4.85 2eovA16 TYR 13 HB2 0.17 0.12 -0.19 -0.04 3.06 3.12 2eovA16 TYR 13 HB3 0.06 -0.08 -0.08 -0.04 2.98 2.84 2eovA16 TYR 13 HD2 0.01 0.08 -0.22 -0.04 7.15 6.99 2eovA16 TYR 13 HE2 -0.06 0.12 -0.00 -0.04 6.85 6.86 2eovA16 LYS 14 H 0.20 0.15 0.02 -0.55 8.42 8.23 2eovA16 LYS 14 HA 0.31 0.16 0.65 -0.75 4.32 4.69 2eovA16 LYS 14 HB2 0.09 0.20 -0.19 -0.04 1.87 1.94 2eovA16 LYS 14 HB3 0.08 -0.04 -0.07 -0.04 1.79 1.71 2eovA16 LYS 14 HG2 0.08 0.09 -0.31 -0.04 1.46 1.28 2eovA16 LYS 14 HG3 0.06 -0.03 -0.25 -0.04 1.46 1.20 2eovA16 LYS 14 HD2 0.02 0.02 -0.09 -0.04 1.69 1.60 2eovA16 LYS 14 HD3 0.03 -0.00 -0.07 -0.04 1.68 1.60 2eovA16 LYS 14 HE2 0.04 -0.04 -0.14 -0.04 2.99 2.80 2eovA16 LYS 14 HE3 0.03 0.03 -0.09 -0.04 2.99 2.92 2eovA16 CYS 15 H 0.44 0.62 0.25 -0.55 8.50 9.26 2eovA16 CYS 15 HA 0.12 0.04 0.50 -0.75 4.58 4.48 2eovA16 CYS 15 HB2 0.27 0.10 0.15 -0.04 2.97 3.45 2eovA16 CYS 15 HB3 0.29 -0.34 0.25 -0.04 2.97 3.13 2eovA16 SER 16 H 0.08 0.11 0.24 -0.55 8.46 8.34 2eovA16 SER 16 HA 0.04 0.24 0.64 -0.75 4.49 4.66 2eovA16 SER 16 HB2 0.03 0.03 0.10 -0.04 3.95 4.07 2eovA16 SER 16 HB3 0.02 -0.00 0.01 -0.04 3.93 3.92 2eovA16 ASP 17 H 0.05 -0.07 0.04 -0.55 8.40 7.87 2eovA16 ASP 17 HA -0.07 0.13 0.42 -0.75 4.63 4.35 2eovA16 ASP 17 HB2 -0.17 0.01 0.15 -0.04 2.71 2.66 2eovA16 ASP 17 HB3 -0.23 -0.13 0.14 -0.04 2.70 2.44 2eovA16 CYS 18 H 0.12 -0.16 -0.12 -0.55 8.50 7.80 2eovA16 CYS 18 HA 0.02 0.26 0.93 -0.75 4.58 5.04 2eovA16 CYS 18 HB2 0.03 -0.16 0.17 -0.04 2.97 2.96 2eovA16 CYS 18 HB3 0.18 0.16 0.10 -0.04 2.97 3.38 2eovA16 GLY 19 H 0.13 -0.24 0.02 -0.55 8.43 7.80 2eovA16 GLY 19 HA2 0.05 0.35 0.27 -0.51 4.01 4.17 2eovA16 GLY 19 HA3 0.02 0.21 0.92 -0.51 4.01 4.65 2eovA16 LYS 20 H 0.11 -0.16 0.18 -0.55 8.42 8.00 2eovA16 LYS 20 HA -0.15 0.19 0.68 -0.75 4.32 4.29 2eovA16 LYS 20 HB2 -0.10 -0.00 0.04 -0.04 1.87 1.76 2eovA16 LYS 20 HB3 -0.31 -0.09 -0.00 -0.04 1.79 1.35 2eovA16 LYS 20 HG2 -0.66 0.07 0.01 -0.04 1.46 0.84 2eovA16 LYS 20 HG3 -0.25 0.04 -0.03 -0.04 1.46 1.18 2eovA16 LYS 20 HD2 -0.30 -0.01 -0.06 -0.04 1.69 1.28 2eovA16 LYS 20 HD3 -1.11 -0.03 -0.12 -0.04 1.68 0.37 2eovA16 LYS 20 HE2 -0.08 0.04 -0.05 -0.04 2.99 2.86 2eovA16 LYS 20 HE3 -0.02 0.00 -0.05 -0.04 2.99 2.88 2eovA16 SER 21 H -0.29 0.18 0.17 -0.55 8.46 7.98 2eovA16 SER 21 HA 0.04 0.19 0.89 -0.75 4.49 4.86 2eovA16 SER 21 HB2 -0.11 -0.04 0.12 -0.04 3.95 3.88 2eovA16 SER 21 HB3 -0.01 0.05 0.04 -0.04 3.93 3.96 2eovA16 PHE 22 H 0.32 0.41 -0.05 -0.55 8.34 8.47 2eovA16 PHE 22 HA 0.04 0.20 0.85 -0.75 4.62 4.96 2eovA16 PHE 22 HB2 0.03 -0.02 -0.17 -0.04 3.15 2.95 2eovA16 PHE 22 HB3 -0.01 -0.07 -0.01 -0.04 3.06 2.93 2eovA16 PHE 22 HD2 -0.02 -0.02 -0.24 -0.04 7.28 6.97 2eovA16 PHE 22 HE2 -0.18 -0.01 -0.08 -0.04 7.38 7.07 2eovA16 PHE 22 HZ -1.65 0.02 -0.07 -0.04 7.32 5.57 2eovA16 THR 23 H 0.25 0.09 0.13 -0.55 8.28 8.21 2eovA16 THR 23 HA 0.22 0.21 0.82 -0.75 4.39 4.88 2eovA16 THR 23 HB 0.39 -0.05 0.10 -0.04 4.32 4.72 2eovA16 THR 23 HG23 -0.03 0.01 -0.01 -0.04 1.22 1.15 2eovA16 TRP 24 H 0.33 0.01 0.11 -0.55 7.97 7.87 2eovA16 TRP 24 HA -0.15 0.27 0.90 -0.75 4.62 4.89 2eovA16 TRP 24 HB2 -0.06 -0.04 0.12 -0.04 3.23 3.21 2eovA16 TRP 24 HB3 -0.10 -0.06 0.04 -0.04 3.23 3.07 2eovA16 TRP 24 HD1 0.01 -0.10 -0.05 -0.04 7.22 7.04 2eovA16 TRP 24 HE1 0.02 0.05 -0.03 -0.04 10.20 10.20 2eovA16 TRP 24 HE3 -0.02 -0.10 0.04 -0.04 7.59 7.47 2eovA16 TRP 24 HZ2 0.01 0.03 -0.00 -0.04 7.44 7.44 2eovA16 TRP 24 HZ3 0.00 0.02 0.02 -0.04 7.13 7.13 2eovA16 TRP 24 HH2 0.01 0.03 0.01 -0.04 7.19 7.20 2eovA16 LYS 25 H -0.36 0.26 0.12 -0.55 8.42 7.88 2eovA16 LYS 25 HA -0.95 0.11 0.31 -0.75 4.32 3.03 2eovA16 LYS 25 HB2 0.01 0.06 0.01 -0.04 1.87 1.91 2eovA16 LYS 25 HB3 0.10 0.11 0.10 -0.04 1.79 2.05 2eovA16 LYS 25 HG2 0.04 -0.05 0.15 -0.04 1.46 1.56 2eovA16 LYS 25 HG3 0.03 -0.00 0.02 -0.04 1.46 1.46 2eovA16 LYS 25 HD2 0.07 0.02 0.02 -0.04 1.69 1.76 2eovA16 LYS 25 HD3 0.09 0.05 0.01 -0.04 1.68 1.78 2eovA16 LYS 25 HE2 0.17 0.04 0.04 -0.04 2.99 3.21 2eovA16 LYS 25 HE3 0.08 -0.03 0.06 -0.04 2.99 3.06 2eovA16 SER 26 H 0.04 0.11 -0.10 -0.55 8.46 7.96 2eovA16 SER 26 HA -0.02 0.09 0.33 -0.75 4.49 4.15 2eovA16 SER 26 HB2 0.06 0.05 0.10 -0.04 3.95 4.11 2eovA16 SER 26 HB3 0.04 -0.06 0.04 -0.04 3.93 3.91 2eovA16 ARG 27 H 0.03 0.04 -0.33 -0.55 8.46 7.65 2eovA16 ARG 27 HA 0.01 0.06 0.31 -0.75 4.34 3.96 2eovA16 ARG 27 HB2 0.14 0.10 0.10 -0.04 1.90 2.19 2eovA16 ARG 27 HB3 0.20 0.05 0.00 -0.04 1.80 2.01 2eovA16 ARG 27 HG2 0.06 -0.10 0.05 -0.04 1.67 1.64 2eovA16 ARG 27 HG3 0.12 -0.04 0.07 -0.04 1.67 1.77 2eovA16 ARG 27 HD2 -0.00 0.01 0.01 -0.04 3.22 3.19 2eovA16 ARG 27 HD3 -0.12 0.02 0.00 -0.04 3.22 3.08 2eovA16 LEU 28 H -0.23 0.35 -0.27 -0.55 8.37 7.67 2eovA16 LEU 28 HA -1.19 -0.02 0.31 -0.75 4.35 2.69 2eovA16 LEU 28 HB2 -0.48 -0.06 0.03 -0.04 1.64 1.10 2eovA16 LEU 28 HB3 -0.25 0.26 0.16 -0.04 1.64 1.77 2eovA16 LEU 28 HG -0.18 0.01 -0.23 -0.04 1.64 1.20 2eovA16 LEU 28 HD13 -0.51 -0.03 -0.04 -0.04 0.93 0.32 2eovA16 LEU 28 HD23 0.03 0.00 -0.05 -0.04 0.89 0.83 2eovA16 ARG 29 H -0.13 0.44 -0.16 -0.55 8.46 8.07 2eovA16 ARG 29 HA -0.04 -0.01 0.39 -0.75 4.34 3.92 2eovA16 ARG 29 HB2 -0.03 0.17 0.23 -0.04 1.90 2.22 2eovA16 ARG 29 HB3 -0.02 -0.01 0.03 -0.04 1.80 1.75 2eovA16 ARG 29 HG2 -0.02 -0.03 0.04 -0.04 1.67 1.62 2eovA16 ARG 29 HG3 -0.04 0.10 0.03 -0.04 1.67 1.71 2eovA16 ARG 29 HD2 -0.01 -0.05 0.01 -0.04 3.22 3.14 2eovA16 ARG 29 HD3 -0.01 0.02 0.01 -0.04 3.22 3.20 2eovA16 ILE 30 H -0.03 0.39 -0.02 -0.55 8.25 8.04 2eovA16 ILE 30 HA -0.01 0.00 0.32 -0.75 4.18 3.74 2eovA16 ILE 30 HB 0.02 0.12 0.07 -0.04 1.89 2.06 2eovA16 ILE 30 HG12 -0.01 -0.01 0.00 -0.04 1.49 1.43 2eovA16 ILE 30 HG13 -0.01 -0.03 0.05 -0.04 1.21 1.17 2eovA16 ILE 30 HG23 0.00 -0.00 -0.03 -0.04 0.93 0.86 2eovA16 ILE 30 HD13 -0.02 -0.00 -0.05 -0.04 0.88 0.77 2eovA16 HIS 31 H 0.02 0.38 -0.56 -0.55 8.41 7.70 2eovA16 HIS 31 HA -0.03 0.04 0.49 -0.75 4.63 4.38 2eovA16 HIS 31 HB2 0.13 -0.02 0.04 -0.04 3.26 3.37 2eovA16 HIS 31 HB3 -0.29 0.16 0.21 -0.04 3.20 3.23 2eovA16 HIS 31 HD2 0.15 -0.04 -0.12 -0.04 6.97 6.91 2eovA16 HIS 31 HE1 0.08 0.07 -0.04 -0.04 7.75 7.81 2eovA16 GLN 32 H 0.02 0.73 0.20 -0.55 8.47 8.87 2eovA16 GLN 32 HA 0.19 -0.08 0.43 -0.75 4.36 4.15 2eovA16 GLN 32 HB2 0.01 0.11 0.26 -0.04 2.15 2.48 2eovA16 GLN 32 HB3 0.04 -0.01 0.03 -0.04 2.02 2.04 2eovA16 GLN 32 HG2 0.05 -0.01 0.09 -0.04 2.40 2.48 2eovA16 GLN 32 HG3 -0.00 -0.03 -0.02 -0.04 2.39 2.29 2eovA16 GLN 32 HE21 0.02 0.02 0.01 -0.04 6.97 6.98 2eovA16 GLN 32 HE22 0.03 -0.01 0.04 -0.04 7.69 7.71 2eovA16 LYS 33 H -0.01 0.51 -0.07 -0.55 8.42 8.30 2eovA16 LYS 33 HA 0.01 0.04 0.36 -0.75 4.32 3.97 2eovA16 LYS 33 HB2 -0.01 -0.02 0.02 -0.04 1.87 1.82 2eovA16 LYS 33 HB3 -0.01 -0.06 0.04 -0.04 1.79 1.72 2eovA16 LYS 33 HG2 -0.01 -0.12 -0.06 -0.04 1.46 1.23 2eovA16 LYS 33 HG3 -0.03 0.21 0.01 -0.04 1.46 1.61 2eovA16 LYS 33 HD2 -0.02 0.06 -0.67 -0.04 1.69 1.02 2eovA16 LYS 33 HD3 -0.01 -0.08 -0.12 -0.04 1.68 1.43 2eovA16 LYS 33 HE2 -0.02 -0.10 -0.03 -0.04 2.99 2.80 2eovA16 LYS 33 HE3 -0.03 0.23 0.01 -0.04 2.99 3.16 2eovA16 CYS 34 H -0.08 0.23 -0.52 -0.55 8.50 7.59 2eovA16 CYS 34 HA -0.06 -0.04 0.33 -0.75 4.58 4.05 2eovA16 CYS 34 HB2 -0.10 0.21 0.25 -0.04 2.97 3.28 2eovA16 CYS 34 HB3 -0.36 0.14 0.19 -0.04 2.97 2.90 2eovA16 HIS 35 H -0.18 0.41 -0.30 -0.55 8.41 7.79 2eovA16 HIS 35 HA -0.06 -0.09 0.31 -0.75 4.63 4.04 2eovA16 HIS 35 HB2 -0.05 0.32 0.25 -0.04 3.26 3.74 2eovA16 HIS 35 HB3 -0.03 -0.10 0.12 -0.04 3.20 3.15 2eovA16 HIS 35 HD2 -0.08 -0.01 0.08 -0.04 6.97 6.91 2eovA16 HIS 35 HE1 0.07 0.09 -0.02 -0.04 7.75 7.85 2eovA16 THR 36 H 0.02 0.21 0.27 -0.55 8.28 8.23 2eovA16 THR 36 HA 0.03 0.10 0.92 -0.75 4.39 4.69 2eovA16 THR 36 HB 0.01 -0.09 0.10 -0.04 4.32 4.29 2eovA16 THR 36 HG23 0.00 -0.00 -0.29 -0.04 1.22 0.89 2eovA16 GLY 37 H 0.04 0.16 -0.01 -0.55 8.43 8.07 2eovA16 GLY 37 HA2 0.02 -0.01 0.35 -0.51 4.01 3.87 2eovA16 GLY 37 HA3 0.02 0.07 0.45 -0.51 4.01 4.04 2eovA16 GLU 38 H 0.06 0.17 0.06 -0.55 8.60 8.34 2eovA16 GLU 38 HA 0.03 0.16 0.63 -0.75 4.29 4.36 2eovA16 GLU 38 HB2 0.03 0.19 -0.27 -0.04 2.09 2.00 2eovA16 GLU 38 HB3 0.09 -0.07 -0.14 -0.04 1.99 1.83 2eovA16 GLU 38 HG2 0.09 -0.05 -0.28 -0.04 2.34 2.06 2eovA16 GLU 38 HG3 0.02 -0.08 0.03 -0.04 2.34 2.27 2eovA16 ARG 39 H 0.05 0.22 0.03 -0.55 8.46 8.20 2eovA16 ARG 39 HA 0.08 0.19 0.90 -0.75 4.34 4.75 2eovA16 ARG 39 HB2 0.04 -0.00 -0.02 -0.04 1.90 1.87 2eovA16 ARG 39 HB3 0.04 0.02 0.21 -0.04 1.80 2.04 2eovA16 ARG 39 HG2 0.06 -0.02 -0.06 -0.04 1.67 1.61 2eovA16 ARG 39 HG3 0.04 0.02 0.00 -0.04 1.67 1.70 2eovA16 ARG 39 HD2 0.03 0.01 -0.00 -0.04 3.22 3.21 2eovA16 ARG 39 HD3 0.02 -0.01 0.00 -0.04 3.22 3.20 2eovA16 HIS 40 H 0.19 0.25 -0.19 -0.55 8.41 8.11 2eovA16 HIS 40 HA 0.06 0.22 0.87 -0.75 4.63 5.02 2eovA16 HIS 40 HB2 0.06 -0.03 -0.18 -0.04 3.26 3.08 2eovA16 HIS 40 HB3 0.14 -0.07 0.09 -0.04 3.20 3.32 2eovA16 HIS 40 HD2 0.08 -0.10 -0.07 -0.04 6.97 6.83 2eovA16 HIS 40 HE1 0.03 -0.21 -0.36 -0.04 7.75 7.16 2eovA16 SER 41 H 0.14 0.22 -0.06 -0.55 8.46 8.21 2eovA16 SER 41 HA 0.01 0.10 0.93 -0.75 4.49 4.78 2eovA16 SER 41 HB2 0.05 -0.03 0.13 -0.04 3.95 4.06 2eovA16 SER 41 HB3 0.02 0.06 0.04 -0.04 3.93 4.01 2eovA16 GLY 42 H -0.07 0.08 -0.08 -0.55 8.43 7.82 2eovA16 GLY 42 HA2 -0.06 0.09 0.18 -0.51 4.01 3.71 2eovA16 GLY 42 HA3 -0.02 0.12 0.45 -0.51 4.01 4.04 2eovA16 PRO 43 HA 0.01 0.07 0.24 -0.51 4.44 4.26 2eovA16 PRO 43 HB2 0.01 -0.02 0.07 -0.04 2.28 2.29 2eovA16 PRO 43 HB3 -0.02 0.06 0.09 -0.04 2.02 2.11 2eovA16 PRO 43 HG2 -0.00 0.06 -0.00 -0.04 2.03 2.04 2eovA16 PRO 43 HG3 -0.02 0.05 0.07 -0.04 2.03 2.08 2eovA16 PRO 43 HD2 -0.02 0.17 0.17 -0.04 3.68 3.96 2eovA16 PRO 43 HD3 -0.04 0.17 0.12 -0.04 3.65 3.85 2eovA16 SER 44 H 0.03 0.10 -0.85 -0.55 8.46 7.18 2eovA16 SER 44 HA 0.04 0.07 0.24 -0.75 4.49 4.08 2eovA16 SER 44 HB2 0.09 0.03 -0.05 -0.04 3.95 3.98 2eovA16 SER 44 HB3 0.05 -0.02 -0.01 -0.04 3.93 3.90 2eovA16 SER 45 H 0.21 0.18 -0.64 -0.55 8.46 7.66 2eovA16 SER 45 HA 0.05 0.15 0.87 -0.75 4.49 4.81 2eovA16 SER 45 HB2 -0.02 -0.02 0.08 -0.04 3.95 3.94 2eovA16 SER 45 HB3 0.04 -0.01 -0.11 -0.04 3.93 3.81 2eovA16 GLY 46 H 0.07 0.30 -0.14 -0.55 8.43 8.12 2eovA16 GLY 46 HA2 0.05 0.04 0.17 -0.51 4.01 3.77 2eovA16 GLY 46 HA3 0.05 0.06 0.18 -0.51 4.01 3.79