============================================================================= 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 -0.486 -8.079 1.260 -99.200 -91.000 PHE 22 1.000 -1.831 -0.701 -2.908 -99.200 -91.000 TRP 24 1.040 2.761 -9.800 -5.811 -99.200 -91.000 TRP6 24 1.020 4.266 -11.412 -4.973 -99.200 -91.000 HIS 31 0.900 -0.522 3.623 -2.722 -99.200 -91.000 HIS 35 0.900 -0.586 7.674 0.475 -99.200 -91.000 HIS 40 0.900 -7.574 12.060 -0.880 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA9 GLY 1 HA2 -0.00 -0.04 0.12 -0.51 4.01 3.59 2eovA9 GLY 1 HA3 -0.00 -0.03 0.20 -0.51 4.01 3.67 2eovA9 SER 2 H -0.00 0.23 0.08 -0.55 8.46 8.22 2eovA9 SER 2 HA -0.00 0.15 0.64 -0.75 4.49 4.52 2eovA9 SER 2 HB2 -0.00 -0.01 -0.11 -0.04 3.95 3.79 2eovA9 SER 2 HB3 -0.00 -0.06 0.11 -0.04 3.93 3.93 2eovA9 SER 3 H -0.00 0.13 0.12 -0.55 8.46 8.16 2eovA9 SER 3 HA 0.00 0.12 0.60 -0.75 4.49 4.46 2eovA9 SER 3 HB2 -0.00 0.02 0.05 -0.04 3.95 3.97 2eovA9 SER 3 HB3 0.00 0.02 0.07 -0.04 3.93 3.99 2eovA9 GLY 4 H -0.00 0.20 0.06 -0.55 8.43 8.15 2eovA9 GLY 4 HA2 -0.00 0.02 0.32 -0.51 4.01 3.83 2eovA9 GLY 4 HA3 -0.00 0.18 0.88 -0.51 4.01 4.55 2eovA9 SER 5 H -0.00 0.24 -0.10 -0.55 8.46 8.06 2eovA9 SER 5 HA -0.00 0.12 0.81 -0.75 4.49 4.67 2eovA9 SER 5 HB2 -0.01 0.01 0.03 -0.04 3.95 3.94 2eovA9 SER 5 HB3 -0.01 0.06 0.12 -0.04 3.93 4.07 2eovA9 SER 6 H -0.00 0.28 0.04 -0.55 8.46 8.24 2eovA9 SER 6 HA 0.00 0.14 0.27 -0.75 4.49 4.15 2eovA9 SER 6 HB2 0.00 -0.08 0.14 -0.04 3.95 3.97 2eovA9 SER 6 HB3 0.00 -0.07 -0.01 -0.04 3.93 3.81 2eovA9 GLY 7 H -0.00 0.01 -0.24 -0.55 8.43 7.66 2eovA9 GLY 7 HA2 -0.01 -0.11 0.26 -0.51 4.01 3.64 2eovA9 GLY 7 HA3 -0.01 0.18 0.32 -0.51 4.01 3.99 2eovA9 THR 8 H -0.00 -0.09 -0.21 -0.55 8.28 7.43 2eovA9 THR 8 HA -0.01 0.29 0.80 -0.75 4.39 4.72 2eovA9 THR 8 HB 0.00 0.11 -0.08 -0.04 4.32 4.31 2eovA9 THR 8 HG23 0.00 -0.06 -0.08 -0.04 1.22 1.05 2eovA9 GLY 9 H -0.00 -0.14 0.04 -0.55 8.43 7.78 2eovA9 GLY 9 HA2 -0.02 0.24 0.72 -0.51 4.01 4.45 2eovA9 GLY 9 HA3 -0.01 -0.03 0.27 -0.51 4.01 3.73 2eovA9 GLU 10 H -0.01 -0.06 0.01 -0.55 8.60 7.99 2eovA9 GLU 10 HA -0.02 0.01 0.22 -0.75 4.29 3.74 2eovA9 GLU 10 HB2 -0.02 0.02 -0.46 -0.04 2.09 1.59 2eovA9 GLU 10 HB3 -0.02 0.18 0.30 -0.04 1.99 2.41 2eovA9 GLU 10 HG2 -0.02 0.01 0.03 -0.04 2.34 2.32 2eovA9 GLU 10 HG3 -0.03 -0.04 0.10 -0.04 2.34 2.33 2eovA9 LYS 11 H -0.02 0.05 -0.03 -0.55 8.42 7.87 2eovA9 LYS 11 HA -0.06 0.24 0.80 -0.75 4.32 4.55 2eovA9 LYS 11 HB2 0.04 -0.10 -0.16 -0.04 1.87 1.61 2eovA9 LYS 11 HB3 0.06 0.15 -0.13 -0.04 1.79 1.83 2eovA9 LYS 11 HG2 0.07 -0.25 -0.74 -0.04 1.46 0.50 2eovA9 LYS 11 HG3 -0.01 0.14 -0.09 -0.04 1.46 1.46 2eovA9 LYS 11 HD2 -0.01 0.01 -0.99 -0.04 1.69 0.66 2eovA9 LYS 11 HD3 -0.02 -0.11 -0.38 -0.04 1.68 1.14 2eovA9 LYS 11 HE2 0.00 -0.16 -0.10 -0.04 2.99 2.69 2eovA9 LYS 11 HE3 -0.00 0.06 -0.08 -0.04 2.99 2.92 2eovA9 PRO 12 HA -0.19 0.07 0.42 -0.51 4.44 4.22 2eovA9 PRO 12 HB2 -0.69 0.00 0.06 -0.04 2.28 1.60 2eovA9 PRO 12 HB3 -0.30 0.02 0.12 -0.04 2.02 1.82 2eovA9 PRO 12 HG2 -1.05 0.07 0.07 -0.04 2.03 1.08 2eovA9 PRO 12 HG3 -0.40 0.03 0.12 -0.04 2.03 1.74 2eovA9 PRO 12 HD2 -0.16 0.14 0.30 -0.04 3.68 3.91 2eovA9 PRO 12 HD3 -0.18 0.15 0.18 -0.04 3.65 3.76 2eovA9 TYR 13 H -0.08 0.11 -0.43 -0.55 8.29 7.34 2eovA9 TYR 13 HA 0.02 0.21 0.90 -0.75 4.56 4.94 2eovA9 TYR 13 HB2 0.11 0.19 -0.04 -0.04 3.06 3.28 2eovA9 TYR 13 HB3 0.02 -0.10 0.01 -0.04 2.98 2.86 2eovA9 TYR 13 HD2 0.02 0.14 -0.32 -0.04 7.15 6.95 2eovA9 TYR 13 HE2 -0.06 0.09 0.02 -0.04 6.85 6.86 2eovA9 LYS 14 H 0.17 0.17 0.04 -0.55 8.42 8.25 2eovA9 LYS 14 HA 0.28 0.16 0.66 -0.75 4.32 4.67 2eovA9 LYS 14 HB2 0.10 0.15 -0.23 -0.04 1.87 1.85 2eovA9 LYS 14 HB3 0.08 -0.04 -0.05 -0.04 1.79 1.74 2eovA9 LYS 14 HG2 0.12 0.02 -0.22 -0.04 1.46 1.34 2eovA9 LYS 14 HG3 0.10 -0.02 -0.17 -0.04 1.46 1.33 2eovA9 LYS 14 HD2 0.05 0.01 -0.14 -0.04 1.69 1.57 2eovA9 LYS 14 HD3 0.05 -0.02 -0.11 -0.04 1.68 1.56 2eovA9 LYS 14 HE2 0.06 -0.05 -0.23 -0.04 2.99 2.73 2eovA9 LYS 14 HE3 0.05 0.02 -0.16 -0.04 2.99 2.87 2eovA9 CYS 15 H 0.25 0.34 0.15 -0.55 8.50 8.69 2eovA9 CYS 15 HA 0.02 0.05 0.46 -0.75 4.58 4.35 2eovA9 CYS 15 HB2 -0.04 0.08 0.16 -0.04 2.97 3.13 2eovA9 CYS 15 HB3 0.28 -0.26 0.30 -0.04 2.97 3.25 2eovA9 SER 16 H 0.04 0.18 0.25 -0.55 8.46 8.39 2eovA9 SER 16 HA 0.04 0.14 0.51 -0.75 4.49 4.43 2eovA9 SER 16 HB2 0.01 0.02 0.22 -0.04 3.95 4.17 2eovA9 SER 16 HB3 0.03 0.06 0.15 -0.04 3.93 4.13 2eovA9 ASP 17 H 0.08 0.02 -0.85 -0.55 8.40 7.09 2eovA9 ASP 17 HA -0.07 0.25 0.88 -0.75 4.63 4.94 2eovA9 ASP 17 HB2 -0.04 -0.13 0.01 -0.04 2.71 2.51 2eovA9 ASP 17 HB3 -0.38 0.10 -0.00 -0.04 2.70 2.38 2eovA9 CYS 18 H 0.13 -0.17 0.11 -0.55 8.50 8.02 2eovA9 CYS 18 HA -0.02 0.34 0.97 -0.75 4.58 5.12 2eovA9 CYS 18 HB2 0.26 0.07 -0.04 -0.04 2.97 3.21 2eovA9 CYS 18 HB3 0.27 0.08 -0.02 -0.04 2.97 3.27 2eovA9 GLY 19 H 0.17 -0.14 0.25 -0.55 8.43 8.17 2eovA9 GLY 19 HA2 0.08 0.06 0.29 -0.51 4.01 3.93 2eovA9 GLY 19 HA3 0.07 0.28 0.95 -0.51 4.01 4.80 2eovA9 LYS 20 H 0.21 -0.05 0.27 -0.55 8.42 8.30 2eovA9 LYS 20 HA 0.02 0.30 0.94 -0.75 4.32 4.82 2eovA9 LYS 20 HB2 0.21 -0.13 0.09 -0.04 1.87 2.00 2eovA9 LYS 20 HB3 -0.34 0.09 0.01 -0.04 1.79 1.51 2eovA9 LYS 20 HG2 0.02 0.02 -0.03 -0.04 1.46 1.43 2eovA9 LYS 20 HG3 -0.05 0.07 0.03 -0.04 1.46 1.47 2eovA9 LYS 20 HD2 0.11 0.06 -0.92 -0.04 1.69 0.90 2eovA9 LYS 20 HD3 0.22 -0.09 -0.20 -0.04 1.68 1.57 2eovA9 LYS 20 HE2 0.06 0.05 -0.09 -0.04 2.99 2.96 2eovA9 LYS 20 HE3 0.13 0.05 -0.16 -0.04 2.99 2.97 2eovA9 SER 21 H -0.18 0.23 0.17 -0.55 8.46 8.14 2eovA9 SER 21 HA 0.21 0.23 0.96 -0.75 4.49 5.13 2eovA9 SER 21 HB2 0.02 0.03 -0.06 -0.04 3.95 3.90 2eovA9 SER 21 HB3 0.01 -0.03 -0.00 -0.04 3.93 3.88 2eovA9 PHE 22 H 0.36 0.40 -0.04 -0.55 8.34 8.51 2eovA9 PHE 22 HA 0.06 0.16 0.77 -0.75 4.62 4.86 2eovA9 PHE 22 HB2 0.10 -0.03 -0.11 -0.04 3.15 3.07 2eovA9 PHE 22 HB3 0.08 -0.01 -0.03 -0.04 3.06 3.06 2eovA9 PHE 22 HD2 -0.01 -0.04 -0.37 -0.04 7.28 6.82 2eovA9 PHE 22 HE2 -0.21 -0.01 -0.18 -0.04 7.38 6.94 2eovA9 PHE 22 HZ -1.59 0.03 -0.07 -0.04 7.32 5.65 2eovA9 THR 23 H 0.20 0.17 0.10 -0.55 8.28 8.20 2eovA9 THR 23 HA 0.08 0.12 0.53 -0.75 4.39 4.36 2eovA9 THR 23 HB 0.23 -0.07 0.12 -0.04 4.32 4.56 2eovA9 THR 23 HG23 -0.11 0.02 0.01 -0.04 1.22 1.10 2eovA9 TRP 24 H 0.43 0.05 0.01 -0.55 7.97 7.91 2eovA9 TRP 24 HA 0.19 0.24 0.83 -0.75 4.62 5.13 2eovA9 TRP 24 HB2 0.06 -0.00 0.11 -0.04 3.23 3.36 2eovA9 TRP 24 HB3 0.02 -0.13 0.02 -0.04 3.23 3.10 2eovA9 TRP 24 HD1 0.06 -0.03 -0.01 -0.04 7.22 7.20 2eovA9 TRP 24 HE1 0.04 0.06 -0.02 -0.04 10.20 10.24 2eovA9 TRP 24 HE3 0.03 -0.15 0.07 -0.04 7.59 7.50 2eovA9 TRP 24 HZ2 0.03 0.04 0.00 -0.04 7.44 7.47 2eovA9 TRP 24 HZ3 0.03 0.02 0.03 -0.04 7.13 7.16 2eovA9 TRP 24 HH2 0.03 0.04 0.01 -0.04 7.19 7.22 2eovA9 LYS 25 H -0.01 0.24 0.14 -0.55 8.42 8.24 2eovA9 LYS 25 HA -0.95 0.11 0.37 -0.75 4.32 3.10 2eovA9 LYS 25 HB2 -0.74 0.09 0.12 -0.04 1.87 1.29 2eovA9 LYS 25 HB3 -0.15 -0.02 0.10 -0.04 1.79 1.67 2eovA9 LYS 25 HG2 -0.19 0.01 -0.11 -0.04 1.46 1.12 2eovA9 LYS 25 HG3 -0.53 -0.02 0.03 -0.04 1.46 0.91 2eovA9 LYS 25 HD2 -0.04 0.03 -0.01 -0.04 1.69 1.63 2eovA9 LYS 25 HD3 0.00 0.04 0.01 -0.04 1.68 1.69 2eovA9 LYS 25 HE2 0.04 -0.00 0.02 -0.04 2.99 3.00 2eovA9 LYS 25 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 2eovA9 SER 26 H 0.10 0.11 -0.05 -0.55 8.46 8.07 2eovA9 SER 26 HA -0.03 0.11 0.35 -0.75 4.49 4.17 2eovA9 SER 26 HB2 0.05 0.05 0.09 -0.04 3.95 4.10 2eovA9 SER 26 HB3 0.03 -0.05 0.05 -0.04 3.93 3.92 2eovA9 ARG 27 H 0.12 0.02 -0.36 -0.55 8.46 7.70 2eovA9 ARG 27 HA 0.05 0.09 0.29 -0.75 4.34 4.02 2eovA9 ARG 27 HB2 0.27 0.08 0.05 -0.04 1.90 2.26 2eovA9 ARG 27 HB3 0.21 0.07 -0.01 -0.04 1.80 2.02 2eovA9 ARG 27 HG2 0.14 -0.12 0.02 -0.04 1.67 1.67 2eovA9 ARG 27 HG3 0.22 -0.01 0.04 -0.04 1.67 1.88 2eovA9 ARG 27 HD2 0.03 0.06 0.01 -0.04 3.22 3.28 2eovA9 ARG 27 HD3 -0.01 0.00 -0.02 -0.04 3.22 3.16 2eovA9 LEU 28 H -0.04 0.34 -0.32 -0.55 8.37 7.81 2eovA9 LEU 28 HA -0.85 0.01 0.33 -0.75 4.35 3.08 2eovA9 LEU 28 HB2 -0.65 -0.03 0.02 -0.04 1.64 0.94 2eovA9 LEU 28 HB3 -0.31 0.27 0.16 -0.04 1.64 1.72 2eovA9 LEU 28 HG -0.27 0.02 -0.35 -0.04 1.64 1.00 2eovA9 LEU 28 HD13 -0.85 -0.03 -0.02 -0.04 0.93 -0.02 2eovA9 LEU 28 HD23 -0.16 0.00 -0.08 -0.04 0.89 0.61 2eovA9 ARG 29 H -0.13 0.45 -0.14 -0.55 8.46 8.10 2eovA9 ARG 29 HA -0.07 -0.03 0.37 -0.75 4.34 3.86 2eovA9 ARG 29 HB2 -0.05 0.22 0.19 -0.04 1.90 2.22 2eovA9 ARG 29 HB3 -0.04 0.01 -0.02 -0.04 1.80 1.71 2eovA9 ARG 29 HG2 -0.06 -0.04 0.04 -0.04 1.67 1.57 2eovA9 ARG 29 HG3 -0.08 0.04 0.02 -0.04 1.67 1.60 2eovA9 ARG 29 HD2 -0.03 0.01 -0.00 -0.04 3.22 3.16 2eovA9 ARG 29 HD3 -0.03 0.01 -0.00 -0.04 3.22 3.16 2eovA9 ILE 30 H -0.02 0.45 -0.24 -0.55 8.25 7.90 2eovA9 ILE 30 HA -0.02 0.03 0.37 -0.75 4.18 3.82 2eovA9 ILE 30 HB 0.04 0.14 0.07 -0.04 1.89 2.10 2eovA9 ILE 30 HG12 -0.01 -0.01 -0.00 -0.04 1.49 1.42 2eovA9 ILE 30 HG13 -0.01 0.05 0.03 -0.04 1.21 1.24 2eovA9 ILE 30 HG23 0.01 -0.01 0.02 -0.04 0.93 0.91 2eovA9 ILE 30 HD13 -0.01 -0.04 -0.09 -0.04 0.88 0.70 2eovA9 HIS 31 H 0.04 0.41 -0.53 -0.55 8.41 7.78 2eovA9 HIS 31 HA -0.03 0.15 0.74 -0.75 4.63 4.74 2eovA9 HIS 31 HB2 0.21 -0.01 0.03 -0.04 3.26 3.46 2eovA9 HIS 31 HB3 -0.10 0.08 0.25 -0.04 3.20 3.38 2eovA9 HIS 31 HD2 -0.15 -0.07 -0.00 -0.04 6.97 6.70 2eovA9 HIS 31 HE1 0.18 0.03 -0.06 -0.04 7.75 7.86 2eovA9 GLN 32 H 0.05 0.69 0.22 -0.55 8.47 8.89 2eovA9 GLN 32 HA -0.20 -0.01 0.39 -0.75 4.36 3.79 2eovA9 GLN 32 HB2 0.14 -0.03 0.07 -0.04 2.15 2.29 2eovA9 GLN 32 HB3 0.06 -0.06 0.10 -0.04 2.02 2.08 2eovA9 GLN 32 HG2 -0.03 0.05 0.09 -0.04 2.40 2.47 2eovA9 GLN 32 HG3 0.00 0.10 -0.32 -0.04 2.39 2.13 2eovA9 GLN 32 HE21 -0.08 -0.05 -0.14 -0.04 6.97 6.66 2eovA9 GLN 32 HE22 -0.04 0.00 -0.04 -0.04 7.69 7.58 2eovA9 LYS 33 H -0.07 0.47 -0.38 -0.55 8.42 7.89 2eovA9 LYS 33 HA -0.02 -0.00 0.38 -0.75 4.32 3.93 2eovA9 LYS 33 HB2 -0.03 -0.06 0.07 -0.04 1.87 1.81 2eovA9 LYS 33 HB3 -0.03 0.07 0.10 -0.04 1.79 1.89 2eovA9 LYS 33 HG2 -0.04 -0.01 -0.03 -0.04 1.46 1.34 2eovA9 LYS 33 HG3 -0.05 0.07 -0.35 -0.04 1.46 1.09 2eovA9 LYS 33 HD2 -0.02 -0.07 -0.08 -0.04 1.69 1.47 2eovA9 LYS 33 HD3 -0.02 -0.00 0.01 -0.04 1.68 1.63 2eovA9 LYS 33 HE2 -0.02 0.04 -0.09 -0.04 2.99 2.87 2eovA9 LYS 33 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2eovA9 CYS 34 H -0.21 0.46 -0.57 -0.55 8.50 7.63 2eovA9 CYS 34 HA -0.08 0.07 0.48 -0.75 4.58 4.30 2eovA9 CYS 34 HB2 -0.14 0.05 0.17 -0.04 2.97 3.01 2eovA9 CYS 34 HB3 -0.34 0.04 0.11 -0.04 2.97 2.75 2eovA9 HIS 35 H -0.36 0.21 -0.17 -0.55 8.41 7.55 2eovA9 HIS 35 HA -0.04 -0.04 0.26 -0.75 4.63 4.05 2eovA9 HIS 35 HB2 -0.05 0.18 0.12 -0.04 3.26 3.47 2eovA9 HIS 35 HB3 -0.02 -0.00 -0.03 -0.04 3.20 3.10 2eovA9 HIS 35 HD2 -0.03 -0.01 0.12 -0.04 6.97 7.00 2eovA9 HIS 35 HE1 0.10 -0.02 -0.06 -0.04 7.75 7.73 2eovA9 THR 36 H 0.05 0.12 -0.53 -0.55 8.28 7.36 2eovA9 THR 36 HA 0.03 -0.11 0.32 -0.75 4.39 3.87 2eovA9 THR 36 HB 0.01 -0.07 0.02 -0.04 4.32 4.23 2eovA9 THR 36 HG23 0.01 -0.01 0.06 -0.04 1.22 1.24 2eovA9 GLY 37 H 0.02 0.06 0.13 -0.55 8.43 8.10 2eovA9 GLY 37 HA2 0.01 -0.09 0.41 -0.51 4.01 3.83 2eovA9 GLY 37 HA3 0.01 0.20 0.99 -0.51 4.01 4.70 2eovA9 GLU 38 H 0.04 0.41 -0.02 -0.55 8.60 8.48 2eovA9 GLU 38 HA 0.03 0.09 0.71 -0.75 4.29 4.36 2eovA9 GLU 38 HB2 0.05 0.08 0.06 -0.04 2.09 2.24 2eovA9 GLU 38 HB3 0.05 -0.03 0.01 -0.04 1.99 1.98 2eovA9 GLU 38 HG2 0.02 -0.01 0.04 -0.04 2.34 2.35 2eovA9 GLU 38 HG3 0.02 -0.00 -0.03 -0.04 2.34 2.28 2eovA9 ARG 39 H 0.04 0.18 0.17 -0.55 8.46 8.30 2eovA9 ARG 39 HA 0.03 0.17 0.86 -0.75 4.34 4.64 2eovA9 ARG 39 HB2 0.02 0.03 -0.13 -0.04 1.90 1.78 2eovA9 ARG 39 HB3 0.03 -0.02 0.05 -0.04 1.80 1.81 2eovA9 ARG 39 HG2 -0.01 0.03 0.04 -0.04 1.67 1.69 2eovA9 ARG 39 HG3 0.00 -0.01 -0.04 -0.04 1.67 1.58 2eovA9 ARG 39 HD2 0.01 -0.02 -0.11 -0.04 3.22 3.07 2eovA9 ARG 39 HD3 0.00 -0.02 -0.25 -0.04 3.22 2.91 2eovA9 HIS 40 H 0.03 0.24 0.04 -0.55 8.41 8.17 2eovA9 HIS 40 HA 0.00 0.07 0.64 -0.75 4.63 4.59 2eovA9 HIS 40 HB2 0.02 0.09 -0.04 -0.04 3.26 3.30 2eovA9 HIS 40 HB3 0.03 -0.04 -0.05 -0.04 3.20 3.09 2eovA9 HIS 40 HD2 0.07 -0.05 -0.05 -0.04 6.97 6.89 2eovA9 HIS 40 HE1 0.02 -0.01 -0.07 -0.04 7.75 7.65 2eovA9 SER 41 H -0.08 0.24 0.12 -0.55 8.46 8.19 2eovA9 SER 41 HA -0.38 0.09 0.47 -0.75 4.49 3.91 2eovA9 SER 41 HB2 -0.16 0.27 0.05 -0.04 3.95 4.06 2eovA9 SER 41 HB3 -0.09 -0.08 -0.10 -0.04 3.93 3.61 2eovA9 GLY 42 H -0.12 0.21 -0.03 -0.55 8.43 7.93 2eovA9 GLY 42 HA2 -0.03 0.11 0.65 -0.51 4.01 4.23 2eovA9 GLY 42 HA3 -0.03 0.04 0.36 -0.51 4.01 3.87 2eovA9 PRO 43 HA -0.01 0.00 0.50 -0.51 4.44 4.43 2eovA9 PRO 43 HB2 0.00 0.14 0.03 -0.04 2.28 2.41 2eovA9 PRO 43 HB3 0.00 -0.00 0.12 -0.04 2.02 2.10 2eovA9 PRO 43 HG2 0.00 0.06 0.14 -0.04 2.03 2.18 2eovA9 PRO 43 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 2eovA9 PRO 43 HD2 -0.02 0.05 0.18 -0.04 3.68 3.85 2eovA9 PRO 43 HD3 0.00 0.12 0.16 -0.04 3.65 3.89 2eovA9 SER 44 H -0.01 0.07 0.21 -0.55 8.46 8.18 2eovA9 SER 44 HA -0.01 0.10 0.44 -0.75 4.49 4.26 2eovA9 SER 44 HB2 -0.01 0.01 0.04 -0.04 3.95 3.96 2eovA9 SER 44 HB3 -0.01 -0.12 0.04 -0.04 3.93 3.81 2eovA9 SER 45 H -0.00 -0.02 0.11 -0.55 8.46 8.00 2eovA9 SER 45 HA 0.00 0.24 0.92 -0.75 4.49 4.90 2eovA9 SER 45 HB2 0.01 -0.11 0.09 -0.04 3.95 3.90 2eovA9 SER 45 HB3 0.01 0.08 -0.03 -0.04 3.93 3.94 2eovA9 GLY 46 H 0.00 -0.03 0.07 -0.55 8.43 7.94 2eovA9 GLY 46 HA2 0.00 0.05 0.20 -0.51 4.01 3.75 2eovA9 GLY 46 HA3 0.00 0.17 0.31 -0.51 4.01 3.98