============================================================================= 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 -0.732 -8.337 1.164 -99.200 -91.000 PHE 22 1.000 -1.712 -0.787 -2.813 -99.200 -91.000 TRP 24 1.040 2.624 -10.064 -5.990 -99.200 -91.000 TRP6 24 1.020 4.576 -11.379 -5.830 -99.200 -91.000 HIS 31 0.900 -0.849 3.731 -2.380 -99.200 -91.000 HIS 35 0.900 -1.104 7.756 0.541 -99.200 -91.000 HIS 40 0.900 7.371 21.100 5.860 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA10 GLY 1 HA2 0.00 -0.08 0.20 -0.51 4.01 3.63 2eovA10 GLY 1 HA3 0.00 -0.03 0.18 -0.51 4.01 3.65 2eovA10 SER 2 H 0.00 0.04 0.08 -0.55 8.46 8.04 2eovA10 SER 2 HA 0.00 0.07 0.41 -0.75 4.49 4.22 2eovA10 SER 2 HB2 0.00 -0.01 0.02 -0.04 3.95 3.91 2eovA10 SER 2 HB3 0.00 0.02 0.10 -0.04 3.93 4.01 2eovA10 SER 3 H 0.00 0.23 0.17 -0.55 8.46 8.31 2eovA10 SER 3 HA 0.00 0.01 0.54 -0.75 4.49 4.28 2eovA10 SER 3 HB2 0.00 -0.08 0.09 -0.04 3.95 3.92 2eovA10 SER 3 HB3 0.00 0.18 -0.30 -0.04 3.93 3.76 2eovA10 GLY 4 H -0.00 0.08 0.10 -0.55 8.43 8.07 2eovA10 GLY 4 HA2 -0.00 0.01 0.34 -0.51 4.01 3.84 2eovA10 GLY 4 HA3 -0.00 0.02 0.28 -0.51 4.01 3.80 2eovA10 SER 5 H -0.00 0.10 0.13 -0.55 8.46 8.14 2eovA10 SER 5 HA 0.00 0.17 0.69 -0.75 4.49 4.59 2eovA10 SER 5 HB2 -0.00 0.01 0.19 -0.04 3.95 4.10 2eovA10 SER 5 HB3 -0.00 0.02 -0.04 -0.04 3.93 3.87 2eovA10 SER 6 H -0.00 0.28 0.11 -0.55 8.46 8.31 2eovA10 SER 6 HA -0.00 0.05 0.59 -0.75 4.49 4.37 2eovA10 SER 6 HB2 -0.00 0.03 0.16 -0.04 3.95 4.10 2eovA10 SER 6 HB3 -0.00 -0.02 -0.00 -0.04 3.93 3.87 2eovA10 GLY 7 H -0.00 0.25 0.22 -0.55 8.43 8.35 2eovA10 GLY 7 HA2 -0.00 -0.00 0.26 -0.51 4.01 3.75 2eovA10 GLY 7 HA3 -0.00 0.20 0.74 -0.51 4.01 4.44 2eovA10 THR 8 H -0.01 0.16 0.08 -0.55 8.28 7.97 2eovA10 THR 8 HA -0.00 0.04 0.55 -0.75 4.39 4.22 2eovA10 THR 8 HB -0.01 -0.01 0.06 -0.04 4.32 4.32 2eovA10 THR 8 HG23 -0.01 0.01 0.02 -0.04 1.22 1.20 2eovA10 GLY 9 H -0.00 0.27 0.14 -0.55 8.43 8.29 2eovA10 GLY 9 HA2 -0.01 0.02 0.45 -0.51 4.01 3.96 2eovA10 GLY 9 HA3 -0.01 0.11 0.30 -0.51 4.01 3.90 2eovA10 GLU 10 H 0.01 0.11 0.02 -0.55 8.60 8.18 2eovA10 GLU 10 HA 0.00 0.29 0.91 -0.75 4.29 4.74 2eovA10 GLU 10 HB2 0.01 -0.06 0.13 -0.04 2.09 2.13 2eovA10 GLU 10 HB3 0.00 0.02 0.23 -0.04 1.99 2.20 2eovA10 GLU 10 HG2 -0.00 0.08 0.03 -0.04 2.34 2.41 2eovA10 GLU 10 HG3 0.00 -0.04 -0.17 -0.04 2.34 2.09 2eovA10 LYS 11 H 0.02 0.17 -0.20 -0.55 8.42 7.86 2eovA10 LYS 11 HA 0.04 0.21 0.94 -0.75 4.32 4.76 2eovA10 LYS 11 HB2 0.07 -0.06 0.04 -0.04 1.87 1.88 2eovA10 LYS 11 HB3 0.17 0.20 0.09 -0.04 1.79 2.21 2eovA10 LYS 11 HG2 0.13 -0.15 -0.66 -0.04 1.46 0.74 2eovA10 LYS 11 HG3 0.10 0.06 -0.01 -0.04 1.46 1.57 2eovA10 LYS 11 HD2 0.05 0.03 -0.17 -0.04 1.69 1.56 2eovA10 LYS 11 HD3 0.03 -0.21 -0.36 -0.04 1.68 1.10 2eovA10 LYS 11 HE2 0.00 0.00 -0.17 -0.04 2.99 2.78 2eovA10 LYS 11 HE3 0.01 0.02 -0.22 -0.04 2.99 2.76 2eovA10 PRO 12 HA -0.14 0.10 0.39 -0.51 4.44 4.27 2eovA10 PRO 12 HB2 -0.59 -0.01 0.06 -0.04 2.28 1.70 2eovA10 PRO 12 HB3 -0.21 0.02 0.12 -0.04 2.02 1.92 2eovA10 PRO 12 HG2 -0.37 0.05 0.07 -0.04 2.03 1.74 2eovA10 PRO 12 HG3 -0.13 0.01 0.12 -0.04 2.03 2.00 2eovA10 PRO 12 HD2 0.10 0.11 0.33 -0.04 3.68 4.18 2eovA10 PRO 12 HD3 -0.02 0.17 0.25 -0.04 3.65 4.01 2eovA10 TYR 13 H 0.11 0.10 -0.47 -0.55 8.29 7.48 2eovA10 TYR 13 HA 0.04 0.19 0.90 -0.75 4.56 4.94 2eovA10 TYR 13 HB2 0.14 0.20 -0.06 -0.04 3.06 3.29 2eovA10 TYR 13 HB3 0.06 -0.09 -0.06 -0.04 2.98 2.85 2eovA10 TYR 13 HD2 0.02 0.09 -0.07 -0.04 7.15 7.15 2eovA10 TYR 13 HE2 -0.05 0.05 0.01 -0.04 6.85 6.82 2eovA10 LYS 14 H 0.18 0.19 0.07 -0.55 8.42 8.30 2eovA10 LYS 14 HA 0.27 0.09 0.71 -0.75 4.32 4.64 2eovA10 LYS 14 HB2 0.09 0.11 -0.24 -0.04 1.87 1.79 2eovA10 LYS 14 HB3 0.07 -0.05 -0.06 -0.04 1.79 1.71 2eovA10 LYS 14 HG2 0.09 0.10 -0.19 -0.04 1.46 1.43 2eovA10 LYS 14 HG3 0.07 0.01 -0.14 -0.04 1.46 1.36 2eovA10 LYS 14 HD2 0.03 0.03 -0.11 -0.04 1.69 1.61 2eovA10 LYS 14 HD3 0.03 -0.03 -0.09 -0.04 1.68 1.55 2eovA10 LYS 14 HE2 0.04 -0.07 -0.12 -0.04 2.99 2.80 2eovA10 LYS 14 HE3 0.04 0.09 -0.12 -0.04 2.99 2.96 2eovA10 CYS 15 H 0.32 0.42 0.13 -0.55 8.50 8.82 2eovA10 CYS 15 HA 0.07 0.06 0.48 -0.75 4.58 4.43 2eovA10 CYS 15 HB2 0.08 0.09 0.09 -0.04 2.97 3.19 2eovA10 CYS 15 HB3 0.23 -0.21 0.20 -0.04 2.97 3.14 2eovA10 SER 16 H 0.04 0.06 0.21 -0.55 8.46 8.23 2eovA10 SER 16 HA 0.03 0.29 0.73 -0.75 4.49 4.79 2eovA10 SER 16 HB2 0.00 0.07 0.02 -0.04 3.95 4.00 2eovA10 SER 16 HB3 0.02 0.07 0.03 -0.04 3.93 4.00 2eovA10 ASP 17 H -0.03 -0.09 0.08 -0.55 8.40 7.82 2eovA10 ASP 17 HA -0.14 0.13 0.37 -0.75 4.63 4.24 2eovA10 ASP 17 HB2 -0.69 -0.15 0.11 -0.04 2.71 1.94 2eovA10 ASP 17 HB3 -0.93 0.11 0.01 -0.04 2.70 1.85 2eovA10 CYS 18 H 0.09 -0.19 -0.19 -0.55 8.50 7.66 2eovA10 CYS 18 HA 0.07 0.29 0.87 -0.75 4.58 5.06 2eovA10 CYS 18 HB2 0.18 0.08 -0.06 -0.04 2.97 3.12 2eovA10 CYS 18 HB3 0.36 0.03 -0.06 -0.04 2.97 3.26 2eovA10 GLY 19 H 0.16 -0.30 -0.08 -0.55 8.43 7.66 2eovA10 GLY 19 HA2 0.07 0.36 0.26 -0.51 4.01 4.19 2eovA10 GLY 19 HA3 0.05 0.25 0.91 -0.51 4.01 4.72 2eovA10 LYS 20 H 0.14 -0.20 0.15 -0.55 8.42 7.96 2eovA10 LYS 20 HA -0.05 0.27 0.75 -0.75 4.32 4.53 2eovA10 LYS 20 HB2 -0.04 -0.14 0.10 -0.04 1.87 1.74 2eovA10 LYS 20 HB3 -0.58 0.08 0.05 -0.04 1.79 1.30 2eovA10 LYS 20 HG2 0.02 0.06 -0.12 -0.04 1.46 1.39 2eovA10 LYS 20 HG3 0.09 -0.01 -0.02 -0.04 1.46 1.48 2eovA10 LYS 20 HD2 -0.05 0.02 0.01 -0.04 1.69 1.62 2eovA10 LYS 20 HD3 -0.34 0.02 0.07 -0.04 1.68 1.39 2eovA10 LYS 20 HE2 -0.11 0.01 0.06 -0.04 2.99 2.91 2eovA10 LYS 20 HE3 -0.12 0.01 0.13 -0.04 2.99 2.98 2eovA10 SER 21 H -0.34 0.20 0.20 -0.55 8.46 7.97 2eovA10 SER 21 HA 0.09 0.26 1.04 -0.75 4.49 5.13 2eovA10 SER 21 HB2 -0.11 0.00 0.12 -0.04 3.95 3.93 2eovA10 SER 21 HB3 -0.02 -0.04 0.01 -0.04 3.93 3.85 2eovA10 PHE 22 H 0.31 0.51 0.05 -0.55 8.34 8.66 2eovA10 PHE 22 HA 0.05 0.14 0.77 -0.75 4.62 4.82 2eovA10 PHE 22 HB2 0.03 0.01 -0.16 -0.04 3.15 2.99 2eovA10 PHE 22 HB3 0.02 -0.05 -0.00 -0.04 3.06 2.99 2eovA10 PHE 22 HD2 -0.01 -0.01 -0.30 -0.04 7.28 6.92 2eovA10 PHE 22 HE2 -0.14 -0.05 -0.17 -0.04 7.38 6.99 2eovA10 PHE 22 HZ -1.61 -0.00 -0.06 -0.04 7.32 5.61 2eovA10 THR 23 H 0.24 0.11 0.13 -0.55 8.28 8.21 2eovA10 THR 23 HA 0.23 0.17 0.69 -0.75 4.39 4.73 2eovA10 THR 23 HB 0.42 -0.07 0.14 -0.04 4.32 4.77 2eovA10 THR 23 HG23 0.19 0.02 0.00 -0.04 1.22 1.38 2eovA10 TRP 24 H 0.41 0.03 0.11 -0.55 7.97 7.96 2eovA10 TRP 24 HA -0.11 0.24 0.78 -0.75 4.62 4.77 2eovA10 TRP 24 HB2 -0.03 -0.01 0.10 -0.04 3.23 3.25 2eovA10 TRP 24 HB3 -0.08 -0.09 0.02 -0.04 3.23 3.05 2eovA10 TRP 24 HD1 0.02 -0.11 -0.06 -0.04 7.22 7.03 2eovA10 TRP 24 HE1 0.02 0.05 -0.02 -0.04 10.20 10.21 2eovA10 TRP 24 HE3 -0.03 -0.11 0.04 -0.04 7.59 7.45 2eovA10 TRP 24 HZ2 0.01 0.04 0.00 -0.04 7.44 7.45 2eovA10 TRP 24 HZ3 -0.00 0.02 0.02 -0.04 7.13 7.12 2eovA10 TRP 24 HH2 0.01 0.04 0.01 -0.04 7.19 7.20 2eovA10 LYS 25 H -0.27 0.22 0.15 -0.55 8.42 7.96 2eovA10 LYS 25 HA -0.68 0.14 0.40 -0.75 4.32 3.42 2eovA10 LYS 25 HB2 -0.41 0.11 0.09 -0.04 1.87 1.62 2eovA10 LYS 25 HB3 -0.13 -0.05 0.17 -0.04 1.79 1.74 2eovA10 LYS 25 HG2 -0.02 0.05 -0.04 -0.04 1.46 1.40 2eovA10 LYS 25 HG3 -0.09 -0.04 -0.34 -0.04 1.46 0.95 2eovA10 LYS 25 HD2 0.15 0.05 -0.01 -0.04 1.69 1.84 2eovA10 LYS 25 HD3 0.04 0.05 -0.03 -0.04 1.68 1.70 2eovA10 LYS 25 HE2 -0.22 -0.07 0.04 -0.04 2.99 2.71 2eovA10 LYS 25 HE3 0.08 0.07 -0.03 -0.04 2.99 3.07 2eovA10 SER 26 H 0.05 0.13 0.02 -0.55 8.46 8.11 2eovA10 SER 26 HA -0.00 0.10 0.32 -0.75 4.49 4.15 2eovA10 SER 26 HB2 0.08 0.06 0.10 -0.04 3.95 4.16 2eovA10 SER 26 HB3 0.13 -0.06 0.05 -0.04 3.93 4.01 2eovA10 ARG 27 H 0.08 -0.00 -0.60 -0.55 8.46 7.38 2eovA10 ARG 27 HA 0.02 0.07 0.33 -0.75 4.34 4.01 2eovA10 ARG 27 HB2 0.14 0.13 0.04 -0.04 1.90 2.17 2eovA10 ARG 27 HB3 0.17 0.04 -0.04 -0.04 1.80 1.93 2eovA10 ARG 27 HG2 -0.01 0.05 0.00 -0.04 1.67 1.67 2eovA10 ARG 27 HG3 0.03 -0.08 0.00 -0.04 1.67 1.59 2eovA10 ARG 27 HD2 0.12 -0.08 0.05 -0.04 3.22 3.26 2eovA10 ARG 27 HD3 0.03 0.07 0.01 -0.04 3.22 3.29 2eovA10 LEU 28 H -0.15 0.35 -0.17 -0.55 8.37 7.86 2eovA10 LEU 28 HA -1.01 -0.03 0.29 -0.75 4.35 2.86 2eovA10 LEU 28 HB2 -0.41 -0.00 0.06 -0.04 1.64 1.24 2eovA10 LEU 28 HB3 -0.23 0.19 0.14 -0.04 1.64 1.70 2eovA10 LEU 28 HG -0.21 -0.00 -0.26 -0.04 1.64 1.12 2eovA10 LEU 28 HD13 -0.74 -0.03 -0.09 -0.04 0.93 0.03 2eovA10 LEU 28 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.73 2eovA10 ARG 29 H -0.11 0.37 -0.27 -0.55 8.46 7.90 2eovA10 ARG 29 HA -0.05 -0.02 0.34 -0.75 4.34 3.87 2eovA10 ARG 29 HB2 -0.03 0.31 0.17 -0.04 1.90 2.31 2eovA10 ARG 29 HB3 -0.02 0.00 -0.03 -0.04 1.80 1.72 2eovA10 ARG 29 HG2 -0.02 -0.02 0.03 -0.04 1.67 1.61 2eovA10 ARG 29 HG3 -0.04 -0.01 -0.00 -0.04 1.67 1.58 2eovA10 ARG 29 HD2 -0.01 0.02 -0.00 -0.04 3.22 3.19 2eovA10 ARG 29 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.17 2eovA10 ILE 30 H -0.02 0.36 -0.15 -0.55 8.25 7.89 2eovA10 ILE 30 HA -0.00 0.00 0.36 -0.75 4.18 3.79 2eovA10 ILE 30 HB 0.04 0.15 0.11 -0.04 1.89 2.15 2eovA10 ILE 30 HG12 -0.00 -0.02 0.05 -0.04 1.49 1.47 2eovA10 ILE 30 HG13 -0.01 0.03 0.12 -0.04 1.21 1.31 2eovA10 ILE 30 HG23 0.01 -0.01 -0.01 -0.04 0.93 0.87 2eovA10 ILE 30 HD13 0.00 -0.02 -0.01 -0.04 0.88 0.81 2eovA10 HIS 31 H 0.02 0.44 -0.41 -0.55 8.41 7.92 2eovA10 HIS 31 HA 0.02 0.03 0.45 -0.75 4.63 4.38 2eovA10 HIS 31 HB2 -0.01 -0.03 0.09 -0.04 3.26 3.27 2eovA10 HIS 31 HB3 -0.23 0.12 0.20 -0.04 3.20 3.24 2eovA10 HIS 31 HD2 0.28 -0.06 -0.11 -0.04 6.97 7.03 2eovA10 HIS 31 HE1 0.11 0.05 -0.02 -0.04 7.75 7.85 2eovA10 GLN 32 H 0.05 0.45 0.06 -0.55 8.47 8.49 2eovA10 GLN 32 HA 0.17 -0.07 0.39 -0.75 4.36 4.09 2eovA10 GLN 32 HB2 0.02 0.16 0.14 -0.04 2.15 2.41 2eovA10 GLN 32 HB3 0.04 -0.02 0.05 -0.04 2.02 2.05 2eovA10 GLN 32 HG2 0.05 -0.09 0.05 -0.04 2.40 2.38 2eovA10 GLN 32 HG3 0.03 0.04 0.06 -0.04 2.39 2.48 2eovA10 GLN 32 HE21 -0.05 -0.06 -0.09 -0.04 6.97 6.73 2eovA10 GLN 32 HE22 -0.03 0.01 -0.07 -0.04 7.69 7.56 2eovA10 LYS 33 H -0.01 0.44 -0.35 -0.55 8.42 7.94 2eovA10 LYS 33 HA -0.00 0.01 0.35 -0.75 4.32 3.92 2eovA10 LYS 33 HB2 -0.02 0.25 0.16 -0.04 1.87 2.22 2eovA10 LYS 33 HB3 -0.02 0.01 -0.03 -0.04 1.79 1.70 2eovA10 LYS 33 HG2 -0.01 -0.04 -0.00 -0.04 1.46 1.37 2eovA10 LYS 33 HG3 -0.01 -0.01 0.02 -0.04 1.46 1.43 2eovA10 LYS 33 HD2 -0.00 0.02 0.02 -0.04 1.69 1.68 2eovA10 LYS 33 HD3 -0.01 -0.10 -0.32 -0.04 1.68 1.21 2eovA10 LYS 33 HE2 -0.01 -0.09 -0.10 -0.04 2.99 2.75 2eovA10 LYS 33 HE3 -0.01 -0.00 -0.05 -0.04 2.99 2.89 2eovA10 CYS 34 H -0.09 0.35 -0.14 -0.55 8.50 8.08 2eovA10 CYS 34 HA -0.08 0.04 0.32 -0.75 4.58 4.11 2eovA10 CYS 34 HB2 -0.15 -0.05 0.05 -0.04 2.97 2.78 2eovA10 CYS 34 HB3 -0.14 0.03 0.16 -0.04 2.97 2.98 2eovA10 HIS 35 H -0.15 0.34 -0.21 -0.55 8.41 7.85 2eovA10 HIS 35 HA -0.07 -0.03 0.36 -0.75 4.63 4.14 2eovA10 HIS 35 HB2 -0.06 0.15 0.19 -0.04 3.26 3.51 2eovA10 HIS 35 HB3 -0.02 -0.05 -0.01 -0.04 3.20 3.08 2eovA10 HIS 35 HD2 0.01 -0.04 -0.11 -0.04 6.97 6.77 2eovA10 HIS 35 HE1 0.06 0.05 -0.10 -0.04 7.75 7.72 2eovA10 THR 36 H 0.04 0.49 -0.35 -0.55 8.28 7.91 2eovA10 THR 36 HA 0.02 -0.05 0.63 -0.75 4.39 4.25 2eovA10 THR 36 HB 0.01 -0.06 0.09 -0.04 4.32 4.31 2eovA10 THR 36 HG23 0.02 -0.01 -0.01 -0.04 1.22 1.18 2eovA10 GLY 37 H 0.00 0.18 0.17 -0.55 8.43 8.24 2eovA10 GLY 37 HA2 -0.02 0.22 0.93 -0.51 4.01 4.62 2eovA10 GLY 37 HA3 -0.03 0.07 0.29 -0.51 4.01 3.83 2eovA10 GLU 38 H -0.02 0.15 0.21 -0.55 8.60 8.39 2eovA10 GLU 38 HA -0.08 0.06 0.36 -0.75 4.29 3.86 2eovA10 GLU 38 HB2 -0.05 0.00 0.08 -0.04 2.09 2.09 2eovA10 GLU 38 HB3 -0.02 0.01 0.17 -0.04 1.99 2.11 2eovA10 GLU 38 HG2 -0.01 -0.02 -0.08 -0.04 2.34 2.19 2eovA10 GLU 38 HG3 0.00 0.00 -0.01 -0.04 2.34 2.30 2eovA10 ARG 39 H -0.03 -0.11 -0.69 -0.55 8.46 7.08 2eovA10 ARG 39 HA 0.01 -0.04 0.30 -0.75 4.34 3.86 2eovA10 ARG 39 HB2 0.01 -0.04 -0.02 -0.04 1.90 1.81 2eovA10 ARG 39 HB3 -0.00 0.06 -0.17 -0.04 1.80 1.65 2eovA10 ARG 39 HG2 0.02 -0.01 -0.15 -0.04 1.67 1.49 2eovA10 ARG 39 HG3 0.04 0.08 -0.47 -0.04 1.67 1.29 2eovA10 ARG 39 HD2 0.10 -0.12 0.07 -0.04 3.22 3.24 2eovA10 ARG 39 HD3 0.04 -0.02 -0.01 -0.04 3.22 3.20 2eovA10 HIS 40 H 0.19 0.06 0.13 -0.55 8.41 8.24 2eovA10 HIS 40 HA 0.00 0.16 0.66 -0.75 4.63 4.70 2eovA10 HIS 40 HB2 0.00 -0.05 0.19 -0.04 3.26 3.36 2eovA10 HIS 40 HB3 0.00 0.02 -0.01 -0.04 3.20 3.16 2eovA10 HIS 40 HD2 0.00 -0.01 0.00 -0.04 6.97 6.92 2eovA10 HIS 40 HE1 0.00 -0.03 0.01 -0.04 7.75 7.69 2eovA10 SER 41 H 0.02 0.27 0.14 -0.55 8.46 8.34 2eovA10 SER 41 HA 0.03 0.03 0.42 -0.75 4.49 4.22 2eovA10 SER 41 HB2 0.01 -0.03 0.05 -0.04 3.95 3.95 2eovA10 SER 41 HB3 0.00 0.08 0.08 -0.04 3.93 4.05 2eovA10 GLY 42 H 0.04 0.28 0.18 -0.55 8.43 8.38 2eovA10 GLY 42 HA2 0.02 0.21 0.86 -0.51 4.01 4.60 2eovA10 GLY 42 HA3 0.03 -0.02 0.30 -0.51 4.01 3.80 2eovA10 PRO 43 HA 0.01 0.00 0.43 -0.51 4.44 4.37 2eovA10 PRO 43 HB2 0.01 0.06 -0.08 -0.04 2.28 2.22 2eovA10 PRO 43 HB3 0.01 0.00 0.03 -0.04 2.02 2.02 2eovA10 PRO 43 HG2 0.01 -0.00 0.06 -0.04 2.03 2.05 2eovA10 PRO 43 HG3 0.01 0.03 0.02 -0.04 2.03 2.05 2eovA10 PRO 43 HD2 0.01 0.14 0.23 -0.04 3.68 4.02 2eovA10 PRO 43 HD3 0.01 0.13 -0.34 -0.04 3.65 3.42 2eovA10 SER 44 H 0.01 0.09 0.17 -0.55 8.46 8.18 2eovA10 SER 44 HA 0.00 0.13 0.65 -0.75 4.49 4.52 2eovA10 SER 44 HB2 0.00 0.00 0.07 -0.04 3.95 3.98 2eovA10 SER 44 HB3 0.00 0.04 0.08 -0.04 3.93 4.01 2eovA10 SER 45 H 0.00 0.12 0.13 -0.55 8.46 8.16 2eovA10 SER 45 HA 0.00 0.02 0.41 -0.75 4.49 4.17 2eovA10 SER 45 HB2 0.00 0.03 0.14 -0.04 3.95 4.08 2eovA10 SER 45 HB3 0.00 0.00 0.11 -0.04 3.93 4.00 2eovA10 GLY 46 H 0.00 0.14 0.13 -0.55 8.43 8.15 2eovA10 GLY 46 HA2 0.00 0.20 0.58 -0.51 4.01 4.28 2eovA10 GLY 46 HA3 0.00 0.08 0.13 -0.51 4.01 3.71