============================================================================= 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 -0.677 -8.721 0.502 -99.200 -91.000 PHE 22 1.000 -1.793 -0.786 -2.446 -99.200 -91.000 TRP 24 1.040 2.244 -9.213 -6.652 -99.200 -91.000 TRP6 24 1.020 4.278 -10.379 -6.915 -99.200 -91.000 HIS 31 0.900 -0.271 3.642 -2.515 -99.200 -91.000 HIS 35 0.900 -0.956 7.645 0.064 -99.200 -91.000 HIS 40 0.900 2.246 13.526 -4.608 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA13 GLY 1 HA2 -0.01 -0.04 0.20 -0.51 4.01 3.65 2eovA13 GLY 1 HA3 -0.00 -0.06 0.13 -0.51 4.01 3.57 2eovA13 SER 2 H -0.00 0.16 0.12 -0.55 8.46 8.19 2eovA13 SER 2 HA 0.00 0.10 0.87 -0.75 4.49 4.71 2eovA13 SER 2 HB2 -0.02 0.09 -0.00 -0.04 3.95 3.98 2eovA13 SER 2 HB3 -0.00 -0.02 0.08 -0.04 3.93 3.95 2eovA13 SER 3 H 0.02 0.08 0.13 -0.55 8.46 8.14 2eovA13 SER 3 HA 0.01 -0.01 0.38 -0.75 4.49 4.12 2eovA13 SER 3 HB2 0.02 -0.03 0.11 -0.04 3.95 4.01 2eovA13 SER 3 HB3 0.02 0.07 0.00 -0.04 3.93 3.99 2eovA13 GLY 4 H 0.01 0.03 0.16 -0.55 8.43 8.08 2eovA13 GLY 4 HA2 0.01 0.03 0.39 -0.51 4.01 3.93 2eovA13 GLY 4 HA3 0.01 -0.04 0.36 -0.51 4.01 3.83 2eovA13 SER 5 H 0.01 0.08 0.23 -0.55 8.46 8.25 2eovA13 SER 5 HA 0.02 0.05 0.72 -0.75 4.49 4.53 2eovA13 SER 5 HB2 0.03 0.20 0.19 -0.04 3.95 4.33 2eovA13 SER 5 HB3 0.02 -0.10 0.22 -0.04 3.93 4.03 2eovA13 SER 6 H 0.01 0.21 0.26 -0.55 8.46 8.39 2eovA13 SER 6 HA 0.01 0.18 0.87 -0.75 4.49 4.79 2eovA13 SER 6 HB2 0.01 -0.10 0.09 -0.04 3.95 3.91 2eovA13 SER 6 HB3 0.01 0.05 -0.16 -0.04 3.93 3.78 2eovA13 GLY 7 H 0.01 0.07 0.04 -0.55 8.43 8.00 2eovA13 GLY 7 HA2 -0.00 -0.07 0.38 -0.51 4.01 3.81 2eovA13 GLY 7 HA3 0.00 0.25 0.89 -0.51 4.01 4.65 2eovA13 THR 8 H 0.00 0.10 0.10 -0.55 8.28 7.93 2eovA13 THR 8 HA 0.00 0.06 0.49 -0.75 4.39 4.19 2eovA13 THR 8 HB -0.00 -0.02 0.13 -0.04 4.32 4.39 2eovA13 THR 8 HG23 -0.00 0.02 -0.06 -0.04 1.22 1.14 2eovA13 GLY 9 H 0.01 0.15 0.19 -0.55 8.43 8.23 2eovA13 GLY 9 HA2 0.01 -0.06 0.30 -0.51 4.01 3.75 2eovA13 GLY 9 HA3 0.01 0.06 0.27 -0.51 4.01 3.84 2eovA13 GLU 10 H 0.00 -0.05 0.21 -0.55 8.60 8.21 2eovA13 GLU 10 HA -0.02 0.22 0.92 -0.75 4.29 4.66 2eovA13 GLU 10 HB2 -0.01 0.09 -0.00 -0.04 2.09 2.12 2eovA13 GLU 10 HB3 -0.01 -0.10 0.13 -0.04 1.99 1.98 2eovA13 GLU 10 HG2 -0.01 -0.04 -0.04 -0.04 2.34 2.21 2eovA13 GLU 10 HG3 -0.02 0.00 -0.34 -0.04 2.34 1.94 2eovA13 LYS 11 H -0.00 -0.07 0.15 -0.55 8.42 7.95 2eovA13 LYS 11 HA -0.08 0.13 0.50 -0.75 4.32 4.12 2eovA13 LYS 11 HB2 0.05 0.06 0.07 -0.04 1.87 2.02 2eovA13 LYS 11 HB3 -0.01 0.12 0.10 -0.04 1.79 1.96 2eovA13 LYS 11 HG2 0.02 -0.06 -0.01 -0.04 1.46 1.37 2eovA13 LYS 11 HG3 0.07 -0.10 -0.30 -0.04 1.46 1.09 2eovA13 LYS 11 HD2 -0.01 -0.07 -0.19 -0.04 1.69 1.38 2eovA13 LYS 11 HD3 0.02 0.01 -0.04 -0.04 1.68 1.62 2eovA13 LYS 11 HE2 0.05 -0.09 0.04 -0.04 2.99 2.96 2eovA13 LYS 11 HE3 -0.04 0.10 0.09 -0.04 2.99 3.10 2eovA13 PRO 12 HA -0.19 0.12 0.35 -0.51 4.44 4.21 2eovA13 PRO 12 HB2 -0.61 -0.01 0.08 -0.04 2.28 1.70 2eovA13 PRO 12 HB3 -0.28 0.03 0.13 -0.04 2.02 1.86 2eovA13 PRO 12 HG2 -1.69 0.02 -0.01 -0.04 2.03 0.32 2eovA13 PRO 12 HG3 -0.44 0.02 0.09 -0.04 2.03 1.66 2eovA13 PRO 12 HD2 -0.31 0.09 0.28 -0.04 3.68 3.69 2eovA13 PRO 12 HD3 -0.22 0.16 0.24 -0.04 3.65 3.78 2eovA13 TYR 13 H -0.15 0.09 -0.77 -0.55 8.29 6.91 2eovA13 TYR 13 HA 0.04 0.17 0.86 -0.75 4.56 4.87 2eovA13 TYR 13 HB2 0.16 0.10 -0.06 -0.04 3.06 3.21 2eovA13 TYR 13 HB3 0.02 -0.05 -0.05 -0.04 2.98 2.86 2eovA13 TYR 13 HD2 0.06 0.08 -0.47 -0.04 7.15 6.78 2eovA13 TYR 13 HE2 -0.06 0.11 -0.10 -0.04 6.85 6.77 2eovA13 LYS 14 H 0.16 0.26 0.12 -0.55 8.42 8.40 2eovA13 LYS 14 HA 0.41 0.05 0.80 -0.75 4.32 4.82 2eovA13 LYS 14 HB2 0.13 0.01 -0.15 -0.04 1.87 1.82 2eovA13 LYS 14 HB3 0.10 -0.03 -0.10 -0.04 1.79 1.71 2eovA13 LYS 14 HG2 0.15 0.14 -0.26 -0.04 1.46 1.44 2eovA13 LYS 14 HG3 0.13 0.01 -0.27 -0.04 1.46 1.29 2eovA13 LYS 14 HD2 0.06 -0.06 -0.13 -0.04 1.69 1.52 2eovA13 LYS 14 HD3 0.07 -0.07 -0.18 -0.04 1.68 1.46 2eovA13 LYS 14 HE2 0.07 0.04 -0.21 -0.04 2.99 2.86 2eovA13 LYS 14 HE3 0.05 -0.03 -0.09 -0.04 2.99 2.87 2eovA13 CYS 15 H 0.43 0.67 0.25 -0.55 8.50 9.30 2eovA13 CYS 15 HA 0.06 0.11 0.68 -0.75 4.58 4.67 2eovA13 CYS 15 HB2 0.17 0.09 0.07 -0.04 2.97 3.26 2eovA13 CYS 15 HB3 0.39 -0.22 0.18 -0.04 2.97 3.29 2eovA13 SER 16 H 0.08 0.12 0.21 -0.55 8.46 8.32 2eovA13 SER 16 HA 0.06 0.25 0.67 -0.75 4.49 4.72 2eovA13 SER 16 HB2 0.04 -0.04 0.08 -0.04 3.95 3.98 2eovA13 SER 16 HB3 0.03 0.06 0.03 -0.04 3.93 4.01 2eovA13 ASP 17 H 0.10 -0.09 0.04 -0.55 8.40 7.90 2eovA13 ASP 17 HA -0.05 0.15 0.41 -0.75 4.63 4.38 2eovA13 ASP 17 HB2 0.05 -0.05 0.15 -0.04 2.71 2.82 2eovA13 ASP 17 HB3 -0.27 -0.09 0.10 -0.04 2.70 2.40 2eovA13 CYS 18 H 0.17 -0.12 -0.09 -0.55 8.50 7.91 2eovA13 CYS 18 HA 0.00 0.25 0.71 -0.75 4.58 4.78 2eovA13 CYS 18 HB2 0.17 0.07 -0.05 -0.04 2.97 3.12 2eovA13 CYS 18 HB3 0.24 0.04 -0.01 -0.04 2.97 3.19 2eovA13 GLY 19 H 0.19 -0.23 -0.10 -0.55 8.43 7.74 2eovA13 GLY 19 HA2 0.09 0.26 0.27 -0.51 4.01 4.12 2eovA13 GLY 19 HA3 0.06 0.23 0.87 -0.51 4.01 4.67 2eovA13 LYS 20 H 0.21 -0.18 0.16 -0.55 8.42 8.06 2eovA13 LYS 20 HA -0.00 0.30 0.87 -0.75 4.32 4.73 2eovA13 LYS 20 HB2 0.01 -0.12 0.07 -0.04 1.87 1.79 2eovA13 LYS 20 HB3 -0.40 0.09 0.07 -0.04 1.79 1.51 2eovA13 LYS 20 HG2 -0.09 0.04 0.04 -0.04 1.46 1.41 2eovA13 LYS 20 HG3 0.03 0.04 -0.20 -0.04 1.46 1.28 2eovA13 LYS 20 HD2 0.04 0.05 -0.06 -0.04 1.69 1.67 2eovA13 LYS 20 HD3 0.01 -0.07 -0.04 -0.04 1.68 1.54 2eovA13 LYS 20 HE2 -0.10 -0.00 -0.02 -0.04 2.99 2.82 2eovA13 LYS 20 HE3 -0.32 0.01 0.01 -0.04 2.99 2.65 2eovA13 SER 21 H -0.16 0.18 0.20 -0.55 8.46 8.13 2eovA13 SER 21 HA 0.22 0.22 1.09 -0.75 4.49 5.27 2eovA13 SER 21 HB2 0.00 0.05 0.03 -0.04 3.95 4.00 2eovA13 SER 21 HB3 -0.03 -0.04 0.03 -0.04 3.93 3.85 2eovA13 PHE 22 H 0.37 0.89 0.25 -0.55 8.34 9.30 2eovA13 PHE 22 HA 0.09 0.12 0.85 -0.75 4.62 4.92 2eovA13 PHE 22 HB2 0.18 0.00 -0.11 -0.04 3.15 3.18 2eovA13 PHE 22 HB3 0.13 -0.05 -0.01 -0.04 3.06 3.10 2eovA13 PHE 22 HD2 0.02 -0.02 -0.37 -0.04 7.28 6.87 2eovA13 PHE 22 HE2 -0.20 -0.01 -0.13 -0.04 7.38 7.00 2eovA13 PHE 22 HZ -1.25 -0.02 -0.07 -0.04 7.32 5.94 2eovA13 THR 23 H 0.28 0.16 0.15 -0.55 8.28 8.32 2eovA13 THR 23 HA 0.19 0.14 0.65 -0.75 4.39 4.61 2eovA13 THR 23 HB 0.45 -0.02 0.08 -0.04 4.32 4.79 2eovA13 THR 23 HG23 0.20 0.01 0.05 -0.04 1.22 1.45 2eovA13 TRP 24 H 0.55 0.03 -0.03 -0.55 7.97 7.97 2eovA13 TRP 24 HA 0.18 0.28 0.92 -0.75 4.62 5.24 2eovA13 TRP 24 HB2 0.08 -0.02 0.04 -0.04 3.23 3.29 2eovA13 TRP 24 HB3 0.02 -0.12 0.00 -0.04 3.23 3.10 2eovA13 TRP 24 HD1 0.09 -0.16 -0.30 -0.04 7.22 6.81 2eovA13 TRP 24 HE1 0.04 0.04 -0.05 -0.04 10.20 10.20 2eovA13 TRP 24 HE3 0.01 -0.12 0.03 -0.04 7.59 7.47 2eovA13 TRP 24 HZ2 0.03 0.03 -0.00 -0.04 7.44 7.46 2eovA13 TRP 24 HZ3 0.01 0.01 0.02 -0.04 7.13 7.13 2eovA13 TRP 24 HH2 0.02 0.03 0.01 -0.04 7.19 7.21 2eovA13 LYS 25 H -0.12 0.20 0.11 -0.55 8.42 8.06 2eovA13 LYS 25 HA -0.61 0.17 0.43 -0.75 4.32 3.56 2eovA13 LYS 25 HB2 -0.20 -0.05 0.20 -0.04 1.87 1.79 2eovA13 LYS 25 HB3 -0.22 0.06 0.00 -0.04 1.79 1.59 2eovA13 LYS 25 HG2 -1.05 0.05 -0.02 -0.04 1.46 0.40 2eovA13 LYS 25 HG3 -0.73 0.03 0.02 -0.04 1.46 0.74 2eovA13 LYS 25 HD2 -0.13 -0.02 0.02 -0.04 1.69 1.52 2eovA13 LYS 25 HD3 -0.17 0.02 -0.00 -0.04 1.68 1.49 2eovA13 LYS 25 HE2 0.00 0.03 0.00 -0.04 2.99 2.98 2eovA13 LYS 25 HE3 0.11 0.05 -0.01 -0.04 2.99 3.10 2eovA13 SER 26 H 0.05 0.15 0.06 -0.55 8.46 8.18 2eovA13 SER 26 HA -0.00 0.09 0.35 -0.75 4.49 4.18 2eovA13 SER 26 HB2 0.06 0.09 -0.05 -0.04 3.95 4.00 2eovA13 SER 26 HB3 0.06 0.09 0.10 -0.04 3.93 4.14 2eovA13 ARG 27 H 0.16 0.03 -0.39 -0.55 8.46 7.71 2eovA13 ARG 27 HA 0.07 0.07 0.28 -0.75 4.34 4.01 2eovA13 ARG 27 HB2 0.26 -0.03 -0.04 -0.04 1.90 2.05 2eovA13 ARG 27 HB3 0.21 0.07 -0.05 -0.04 1.80 1.99 2eovA13 ARG 27 HG2 -0.07 0.02 0.00 -0.04 1.67 1.58 2eovA13 ARG 27 HG3 -0.03 0.07 0.01 -0.04 1.67 1.68 2eovA13 ARG 27 HD2 0.23 -0.14 -0.04 -0.04 3.22 3.23 2eovA13 ARG 27 HD3 -0.35 0.08 -0.02 -0.04 3.22 2.89 2eovA13 LEU 28 H 0.02 0.32 -0.48 -0.55 8.37 7.69 2eovA13 LEU 28 HA -0.72 0.01 0.39 -0.75 4.35 3.27 2eovA13 LEU 28 HB2 -0.40 -0.01 0.03 -0.04 1.64 1.22 2eovA13 LEU 28 HB3 -0.25 0.19 0.19 -0.04 1.64 1.73 2eovA13 LEU 28 HG -0.35 -0.01 -0.31 -0.04 1.64 0.92 2eovA13 LEU 28 HD13 -1.61 -0.04 -0.21 -0.04 0.93 -0.97 2eovA13 LEU 28 HD23 -0.14 -0.01 -0.09 -0.04 0.89 0.62 2eovA13 ARG 29 H -0.10 0.46 -0.01 -0.55 8.46 8.26 2eovA13 ARG 29 HA -0.07 0.00 0.36 -0.75 4.34 3.88 2eovA13 ARG 29 HB2 -0.03 0.05 0.18 -0.04 1.90 2.06 2eovA13 ARG 29 HB3 -0.03 0.00 0.02 -0.04 1.80 1.75 2eovA13 ARG 29 HG2 -0.08 -0.01 0.01 -0.04 1.67 1.56 2eovA13 ARG 29 HG3 -0.08 0.04 -0.12 -0.04 1.67 1.47 2eovA13 ARG 29 HD2 -0.03 0.03 -0.01 -0.04 3.22 3.17 2eovA13 ARG 29 HD3 -0.05 -0.00 -0.04 -0.04 3.22 3.09 2eovA13 ILE 30 H -0.00 0.53 -0.08 -0.55 8.25 8.15 2eovA13 ILE 30 HA -0.01 0.01 0.32 -0.75 4.18 3.76 2eovA13 ILE 30 HB 0.04 0.07 0.04 -0.04 1.89 2.00 2eovA13 ILE 30 HG12 0.00 0.00 -0.00 -0.04 1.49 1.45 2eovA13 ILE 30 HG13 0.01 -0.00 0.04 -0.04 1.21 1.21 2eovA13 ILE 30 HG23 0.01 -0.00 -0.10 -0.04 0.93 0.80 2eovA13 ILE 30 HD13 0.01 -0.03 -0.13 -0.04 0.88 0.69 2eovA13 HIS 31 H 0.11 0.38 -0.36 -0.55 8.41 8.00 2eovA13 HIS 31 HA 0.00 0.01 0.36 -0.75 4.63 4.24 2eovA13 HIS 31 HB2 0.27 -0.01 0.11 -0.04 3.26 3.59 2eovA13 HIS 31 HB3 -0.03 0.20 0.25 -0.04 3.20 3.57 2eovA13 HIS 31 HD2 -0.01 -0.03 -0.07 -0.04 6.97 6.82 2eovA13 HIS 31 HE1 0.07 0.03 -0.05 -0.04 7.75 7.75 2eovA13 GLN 32 H -0.01 0.57 -0.06 -0.55 8.47 8.43 2eovA13 GLN 32 HA -0.13 -0.10 0.40 -0.75 4.36 3.78 2eovA13 GLN 32 HB2 -0.03 0.26 0.24 -0.04 2.15 2.58 2eovA13 GLN 32 HB3 0.00 -0.03 0.03 -0.04 2.02 1.97 2eovA13 GLN 32 HG2 0.03 0.02 0.09 -0.04 2.40 2.50 2eovA13 GLN 32 HG3 -0.03 -0.01 0.03 -0.04 2.39 2.34 2eovA13 GLN 32 HE21 0.10 -0.04 0.06 -0.04 6.97 7.04 2eovA13 GLN 32 HE22 0.07 0.09 0.04 -0.04 7.69 7.85 2eovA13 LYS 33 H -0.05 0.38 -0.11 -0.55 8.42 8.07 2eovA13 LYS 33 HA -0.03 -0.04 0.33 -0.75 4.32 3.83 2eovA13 LYS 33 HB2 -0.03 0.20 0.08 -0.04 1.87 2.08 2eovA13 LYS 33 HB3 -0.02 -0.02 0.04 -0.04 1.79 1.75 2eovA13 LYS 33 HG2 -0.02 -0.06 0.05 -0.04 1.46 1.39 2eovA13 LYS 33 HG3 -0.02 0.10 0.03 -0.04 1.46 1.52 2eovA13 LYS 33 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.64 2eovA13 LYS 33 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 2eovA13 LYS 33 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2eovA13 LYS 33 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2eovA13 CYS 34 H -0.16 0.35 -0.64 -0.55 8.50 7.51 2eovA13 CYS 34 HA -0.02 -0.04 0.32 -0.75 4.58 4.09 2eovA13 CYS 34 HB2 -0.12 -0.06 0.14 -0.04 2.97 2.89 2eovA13 CYS 34 HB3 -0.41 0.04 0.16 -0.04 2.97 2.72 2eovA13 HIS 35 H -0.35 0.33 0.02 -0.55 8.41 7.86 2eovA13 HIS 35 HA -0.06 -0.03 0.36 -0.75 4.63 4.15 2eovA13 HIS 35 HB2 -0.08 0.10 0.24 -0.04 3.26 3.48 2eovA13 HIS 35 HB3 -0.04 -0.03 0.03 -0.04 3.20 3.11 2eovA13 HIS 35 HD2 -0.03 -0.08 0.07 -0.04 6.97 6.89 2eovA13 HIS 35 HE1 0.13 0.00 -0.08 -0.04 7.75 7.76 2eovA13 THR 36 H 0.06 0.13 -0.05 -0.55 8.28 7.88 2eovA13 THR 36 HA -0.01 -0.05 0.46 -0.75 4.39 4.03 2eovA13 THR 36 HB 0.01 -0.07 0.08 -0.04 4.32 4.30 2eovA13 THR 36 HG23 -0.00 0.03 0.06 -0.04 1.22 1.26 2eovA13 GLY 37 H -0.05 0.09 0.20 -0.55 8.43 8.11 2eovA13 GLY 37 HA2 -0.03 -0.09 0.37 -0.51 4.01 3.76 2eovA13 GLY 37 HA3 -0.03 0.24 0.67 -0.51 4.01 4.38 2eovA13 GLU 38 H -0.19 0.60 0.19 -0.55 8.60 8.65 2eovA13 GLU 38 HA -0.11 0.05 0.69 -0.75 4.29 4.17 2eovA13 GLU 38 HB2 -0.13 0.05 -0.09 -0.04 2.09 1.88 2eovA13 GLU 38 HB3 -0.06 0.02 -0.02 -0.04 1.99 1.89 2eovA13 GLU 38 HG2 -0.01 0.02 0.20 -0.04 2.34 2.51 2eovA13 GLU 38 HG3 0.01 0.02 -0.23 -0.04 2.34 2.10 2eovA13 ARG 39 H -0.10 0.10 0.16 -0.55 8.46 8.06 2eovA13 ARG 39 HA -0.11 0.10 0.64 -0.75 4.34 4.21 2eovA13 ARG 39 HB2 -0.00 0.05 0.07 -0.04 1.90 1.97 2eovA13 ARG 39 HB3 -0.03 -0.02 0.14 -0.04 1.80 1.85 2eovA13 ARG 39 HG2 0.03 -0.05 0.23 -0.04 1.67 1.83 2eovA13 ARG 39 HG3 0.05 0.01 0.06 -0.04 1.67 1.74 2eovA13 ARG 39 HD2 0.01 0.01 0.04 -0.04 3.22 3.24 2eovA13 ARG 39 HD3 0.00 -0.00 0.08 -0.04 3.22 3.25 2eovA13 HIS 40 H -0.03 0.23 0.30 -0.55 8.41 8.37 2eovA13 HIS 40 HA 0.03 0.15 0.86 -0.75 4.63 4.91 2eovA13 HIS 40 HB2 0.07 0.03 -0.02 -0.04 3.26 3.30 2eovA13 HIS 40 HB3 0.04 -0.06 0.12 -0.04 3.20 3.26 2eovA13 HIS 40 HD2 -0.00 0.01 -0.13 -0.04 6.97 6.80 2eovA13 HIS 40 HE1 0.01 -0.06 -0.13 -0.04 7.75 7.51 2eovA13 SER 41 H 0.13 0.21 0.20 -0.55 8.46 8.45 2eovA13 SER 41 HA 0.08 0.20 0.89 -0.75 4.49 4.91 2eovA13 SER 41 HB2 0.05 0.06 -0.11 -0.04 3.95 3.92 2eovA13 SER 41 HB3 0.05 -0.00 0.03 -0.04 3.93 3.97 2eovA13 GLY 42 H 0.07 0.15 0.06 -0.55 8.43 8.16 2eovA13 GLY 42 HA2 0.08 0.25 0.89 -0.51 4.01 4.71 2eovA13 GLY 42 HA3 0.09 0.01 0.33 -0.51 4.01 3.93 2eovA13 PRO 43 HA 0.02 0.03 0.42 -0.51 4.44 4.41 2eovA13 PRO 43 HB2 0.01 0.05 0.16 -0.04 2.28 2.46 2eovA13 PRO 43 HB3 0.02 0.01 0.07 -0.04 2.02 2.08 2eovA13 PRO 43 HG2 0.01 0.05 0.12 -0.04 2.03 2.17 2eovA13 PRO 43 HG3 0.02 0.04 0.04 -0.04 2.03 2.08 2eovA13 PRO 43 HD2 0.04 0.25 0.03 -0.04 3.68 3.96 2eovA13 PRO 43 HD3 0.04 -0.02 -0.47 -0.04 3.65 3.16 2eovA13 SER 44 H 0.02 0.32 0.25 -0.55 8.46 8.50 2eovA13 SER 44 HA 0.00 0.18 0.70 -0.75 4.49 4.62 2eovA13 SER 44 HB2 0.01 0.03 0.02 -0.04 3.95 3.97 2eovA13 SER 44 HB3 0.01 0.02 0.17 -0.04 3.93 4.09 2eovA13 SER 45 H 0.01 0.26 -0.56 -0.55 8.46 7.62 2eovA13 SER 45 HA 0.00 0.18 0.81 -0.75 4.49 4.73 2eovA13 SER 45 HB2 0.00 -0.06 0.07 -0.04 3.95 3.91 2eovA13 SER 45 HB3 0.01 0.04 -0.16 -0.04 3.93 3.78 2eovA13 GLY 46 H 0.00 0.12 0.03 -0.55 8.43 8.03 2eovA13 GLY 46 HA2 0.00 0.05 0.14 -0.51 4.01 3.69 2eovA13 GLY 46 HA3 -0.00 0.23 0.53 -0.51 4.01 4.26