============================================================================= 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 -0.367 -8.064 1.686 -99.200 -91.000 PHE 22 1.000 -1.527 -0.591 -2.614 -99.200 -91.000 TRP 24 1.040 2.499 -10.111 -6.131 -99.200 -91.000 TRP6 24 1.020 4.206 -11.542 -5.355 -99.200 -91.000 HIS 31 0.900 -0.598 3.900 -2.307 -99.200 -91.000 HIS 35 0.900 -0.672 7.810 0.760 -99.200 -91.000 HIS 40 0.900 4.059 13.402 -4.644 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA11 GLY 1 HA2 0.01 0.01 0.13 -0.51 4.01 3.66 2eovA11 GLY 1 HA3 0.01 -0.02 0.18 -0.51 4.01 3.66 2eovA11 SER 2 H 0.01 0.11 0.09 -0.55 8.46 8.13 2eovA11 SER 2 HA 0.01 0.13 0.63 -0.75 4.49 4.51 2eovA11 SER 2 HB2 0.01 0.02 0.07 -0.04 3.95 4.01 2eovA11 SER 2 HB3 0.02 -0.04 0.15 -0.04 3.93 4.01 2eovA11 SER 3 H 0.02 0.04 0.07 -0.55 8.46 8.05 2eovA11 SER 3 HA 0.03 -0.06 0.40 -0.75 4.49 4.10 2eovA11 SER 3 HB2 0.04 0.14 0.20 -0.04 3.95 4.29 2eovA11 SER 3 HB3 0.05 0.04 0.03 -0.04 3.93 4.01 2eovA11 GLY 4 H 0.02 0.03 0.16 -0.55 8.43 8.10 2eovA11 GLY 4 HA2 0.01 0.23 0.76 -0.51 4.01 4.50 2eovA11 GLY 4 HA3 0.01 -0.06 0.38 -0.51 4.01 3.83 2eovA11 SER 5 H 0.00 0.11 0.13 -0.55 8.46 8.16 2eovA11 SER 5 HA -0.00 -0.05 0.33 -0.75 4.49 4.01 2eovA11 SER 5 HB2 0.00 0.13 -0.30 -0.04 3.95 3.75 2eovA11 SER 5 HB3 -0.01 -0.00 0.17 -0.04 3.93 4.05 2eovA11 SER 6 H -0.00 -0.02 -0.20 -0.55 8.46 7.70 2eovA11 SER 6 HA -0.00 0.35 0.37 -0.75 4.49 4.45 2eovA11 SER 6 HB2 -0.00 -0.09 0.07 -0.04 3.95 3.89 2eovA11 SER 6 HB3 0.00 0.02 -0.03 -0.04 3.93 3.88 2eovA11 GLY 7 H -0.01 -0.07 -0.24 -0.55 8.43 7.56 2eovA11 GLY 7 HA2 -0.03 -0.06 0.22 -0.51 4.01 3.63 2eovA11 GLY 7 HA3 -0.04 0.28 0.80 -0.51 4.01 4.54 2eovA11 THR 8 H -0.02 0.02 0.11 -0.55 8.28 7.83 2eovA11 THR 8 HA -0.01 0.25 0.88 -0.75 4.39 4.75 2eovA11 THR 8 HB -0.01 -0.05 0.08 -0.04 4.32 4.30 2eovA11 THR 8 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.13 2eovA11 GLY 9 H -0.02 -0.05 0.11 -0.55 8.43 7.93 2eovA11 GLY 9 HA2 -0.02 -0.01 0.42 -0.51 4.01 3.89 2eovA11 GLY 9 HA3 -0.02 0.02 0.35 -0.51 4.01 3.85 2eovA11 GLU 10 H -0.02 0.05 0.24 -0.55 8.60 8.33 2eovA11 GLU 10 HA -0.03 0.07 0.27 -0.75 4.29 3.85 2eovA11 GLU 10 HB2 -0.04 0.00 0.03 -0.04 2.09 2.05 2eovA11 GLU 10 HB3 -0.03 0.03 0.14 -0.04 1.99 2.09 2eovA11 GLU 10 HG2 -0.04 0.01 -0.27 -0.04 2.34 1.99 2eovA11 GLU 10 HG3 -0.04 0.00 -0.04 -0.04 2.34 2.23 2eovA11 LYS 11 H -0.04 0.20 0.10 -0.55 8.42 8.13 2eovA11 LYS 11 HA -0.06 0.12 0.61 -0.75 4.32 4.23 2eovA11 LYS 11 HB2 0.03 -0.06 -0.10 -0.04 1.87 1.69 2eovA11 LYS 11 HB3 -0.01 0.19 -0.31 -0.04 1.79 1.61 2eovA11 LYS 11 HG2 0.03 -0.15 -0.46 -0.04 1.46 0.85 2eovA11 LYS 11 HG3 0.05 -0.07 0.06 -0.04 1.46 1.46 2eovA11 LYS 11 HD2 -0.02 -0.11 0.06 -0.04 1.69 1.59 2eovA11 LYS 11 HD3 0.02 -0.01 -0.17 -0.04 1.68 1.48 2eovA11 LYS 11 HE2 -0.02 0.00 -0.14 -0.04 2.99 2.79 2eovA11 LYS 11 HE3 -0.02 0.23 -0.26 -0.04 2.99 2.90 2eovA11 PRO 12 HA -0.27 0.07 0.43 -0.51 4.44 4.16 2eovA11 PRO 12 HB2 -1.12 0.01 0.05 -0.04 2.28 1.17 2eovA11 PRO 12 HB3 -0.37 -0.00 0.12 -0.04 2.02 1.73 2eovA11 PRO 12 HG2 -0.54 0.14 0.12 -0.04 2.03 1.71 2eovA11 PRO 12 HG3 -0.30 0.02 0.14 -0.04 2.03 1.86 2eovA11 PRO 12 HD2 -0.08 0.10 0.25 -0.04 3.68 3.91 2eovA11 PRO 12 HD3 -0.15 0.11 0.14 -0.04 3.65 3.71 2eovA11 TYR 13 H -0.06 0.14 -0.39 -0.55 8.29 7.43 2eovA11 TYR 13 HA 0.04 0.14 0.84 -0.75 4.56 4.83 2eovA11 TYR 13 HB2 0.13 0.16 0.06 -0.04 3.06 3.37 2eovA11 TYR 13 HB3 0.04 -0.05 -0.02 -0.04 2.98 2.91 2eovA11 TYR 13 HD2 0.03 0.16 -0.15 -0.04 7.15 7.14 2eovA11 TYR 13 HE2 -0.06 0.04 -0.03 -0.04 6.85 6.76 2eovA11 LYS 14 H 0.16 0.22 0.10 -0.55 8.42 8.35 2eovA11 LYS 14 HA 0.21 0.23 0.99 -0.75 4.32 4.99 2eovA11 LYS 14 HB2 0.06 0.04 -0.17 -0.04 1.87 1.76 2eovA11 LYS 14 HB3 0.07 -0.05 -0.01 -0.04 1.79 1.76 2eovA11 LYS 14 HG2 0.07 -0.06 -0.37 -0.04 1.46 1.05 2eovA11 LYS 14 HG3 0.08 0.23 -0.05 -0.04 1.46 1.68 2eovA11 LYS 14 HD2 0.02 -0.01 -0.14 -0.04 1.69 1.52 2eovA11 LYS 14 HD3 0.03 -0.06 -0.13 -0.04 1.68 1.48 2eovA11 LYS 14 HE2 0.03 -0.03 -0.13 -0.04 2.99 2.82 2eovA11 LYS 14 HE3 0.02 0.17 -0.21 -0.04 2.99 2.93 2eovA11 CYS 15 H 0.27 0.64 0.17 -0.55 8.50 9.02 2eovA11 CYS 15 HA 0.13 0.09 0.61 -0.75 4.58 4.65 2eovA11 CYS 15 HB2 0.28 0.10 0.06 -0.04 2.97 3.37 2eovA11 CYS 15 HB3 0.27 -0.21 0.31 -0.04 2.97 3.29 2eovA11 SER 16 H 0.08 0.24 0.22 -0.55 8.46 8.45 2eovA11 SER 16 HA 0.05 0.18 0.39 -0.75 4.49 4.36 2eovA11 SER 16 HB2 0.03 0.04 0.12 -0.04 3.95 4.10 2eovA11 SER 16 HB3 0.04 0.04 0.09 -0.04 3.93 4.06 2eovA11 ASP 17 H 0.10 -0.15 -0.63 -0.55 8.40 7.17 2eovA11 ASP 17 HA -0.04 0.18 0.60 -0.75 4.63 4.62 2eovA11 ASP 17 HB2 -0.02 -0.05 0.05 -0.04 2.71 2.64 2eovA11 ASP 17 HB3 -0.04 -0.07 0.05 -0.04 2.70 2.60 2eovA11 CYS 18 H 0.20 -0.13 0.00 -0.55 8.50 8.02 2eovA11 CYS 18 HA 0.08 0.25 0.89 -0.75 4.58 5.04 2eovA11 CYS 18 HB2 0.17 0.06 -0.04 -0.04 2.97 3.12 2eovA11 CYS 18 HB3 0.30 0.03 -0.03 -0.04 2.97 3.23 2eovA11 GLY 19 H 0.15 -0.24 0.19 -0.55 8.43 7.98 2eovA11 GLY 19 HA2 0.06 0.11 0.29 -0.51 4.01 3.96 2eovA11 GLY 19 HA3 0.05 0.26 0.89 -0.51 4.01 4.70 2eovA11 LYS 20 H 0.11 -0.19 0.26 -0.55 8.42 8.05 2eovA11 LYS 20 HA -0.12 0.34 0.81 -0.75 4.32 4.58 2eovA11 LYS 20 HB2 -0.08 -0.04 0.07 -0.04 1.87 1.78 2eovA11 LYS 20 HB3 -0.25 -0.07 -0.01 -0.04 1.79 1.42 2eovA11 LYS 20 HG2 -0.76 0.01 0.14 -0.04 1.46 0.81 2eovA11 LYS 20 HG3 -0.23 0.10 0.09 -0.04 1.46 1.38 2eovA11 LYS 20 HD2 -0.07 0.00 -0.01 -0.04 1.69 1.57 2eovA11 LYS 20 HD3 -0.44 -0.03 -0.02 -0.04 1.68 1.15 2eovA11 LYS 20 HE2 -0.09 0.02 0.01 -0.04 2.99 2.90 2eovA11 LYS 20 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 2eovA11 SER 21 H -0.47 0.19 0.22 -0.55 8.46 7.85 2eovA11 SER 21 HA -0.02 0.21 1.05 -0.75 4.49 4.98 2eovA11 SER 21 HB2 -0.06 0.04 -0.00 -0.04 3.95 3.89 2eovA11 SER 21 HB3 -0.09 0.16 -0.06 -0.04 3.93 3.89 2eovA11 PHE 22 H 0.24 0.65 0.18 -0.55 8.34 8.86 2eovA11 PHE 22 HA 0.07 0.09 0.85 -0.75 4.62 4.87 2eovA11 PHE 22 HB2 0.10 0.00 0.02 -0.04 3.15 3.23 2eovA11 PHE 22 HB3 0.08 -0.06 0.01 -0.04 3.06 3.05 2eovA11 PHE 22 HD2 0.01 0.01 -0.29 -0.04 7.28 6.98 2eovA11 PHE 22 HE2 -0.15 -0.01 -0.17 -0.04 7.38 7.01 2eovA11 PHE 22 HZ -1.58 0.02 -0.07 -0.04 7.32 5.64 2eovA11 THR 23 H 0.18 0.16 0.14 -0.55 8.28 8.21 2eovA11 THR 23 HA 0.09 0.10 0.57 -0.75 4.39 4.39 2eovA11 THR 23 HB 0.09 0.05 0.15 -0.04 4.32 4.57 2eovA11 THR 23 HG23 0.25 -0.06 -0.04 -0.04 1.22 1.34 2eovA11 TRP 24 H 0.41 0.03 -0.00 -0.55 7.97 7.86 2eovA11 TRP 24 HA 0.15 0.23 0.82 -0.75 4.62 5.07 2eovA11 TRP 24 HB2 0.07 0.01 0.10 -0.04 3.23 3.37 2eovA11 TRP 24 HB3 0.04 -0.12 -0.02 -0.04 3.23 3.09 2eovA11 TRP 24 HD1 0.05 -0.02 -0.03 -0.04 7.22 7.18 2eovA11 TRP 24 HE1 0.03 0.04 -0.02 -0.04 10.20 10.22 2eovA11 TRP 24 HE3 0.02 -0.17 0.08 -0.04 7.59 7.49 2eovA11 TRP 24 HZ2 0.02 0.03 0.01 -0.04 7.44 7.46 2eovA11 TRP 24 HZ3 0.02 0.01 0.04 -0.04 7.13 7.16 2eovA11 TRP 24 HH2 0.02 0.03 0.02 -0.04 7.19 7.22 2eovA11 LYS 25 H 0.19 0.21 0.14 -0.55 8.42 8.41 2eovA11 LYS 25 HA -0.49 0.15 0.38 -0.75 4.32 3.61 2eovA11 LYS 25 HB2 0.04 -0.05 0.19 -0.04 1.87 2.01 2eovA11 LYS 25 HB3 -0.13 0.05 -0.00 -0.04 1.79 1.66 2eovA11 LYS 25 HG2 -0.48 0.05 0.02 -0.04 1.46 1.01 2eovA11 LYS 25 HG3 -0.55 0.04 0.04 -0.04 1.46 0.95 2eovA11 LYS 25 HD2 0.03 0.01 0.06 -0.04 1.69 1.75 2eovA11 LYS 25 HD3 -0.01 -0.01 0.04 -0.04 1.68 1.66 2eovA11 LYS 25 HE2 0.14 0.04 0.01 -0.04 2.99 3.14 2eovA11 LYS 25 HE3 0.06 0.02 0.02 -0.04 2.99 3.05 2eovA11 SER 26 H 0.16 0.14 -0.00 -0.55 8.46 8.22 2eovA11 SER 26 HA -0.00 0.08 0.30 -0.75 4.49 4.11 2eovA11 SER 26 HB2 -0.01 0.08 -0.03 -0.04 3.95 3.96 2eovA11 SER 26 HB3 0.03 0.05 0.09 -0.04 3.93 4.06 2eovA11 ARG 27 H 0.15 -0.00 -0.77 -0.55 8.46 7.29 2eovA11 ARG 27 HA 0.10 0.07 0.35 -0.75 4.34 4.10 2eovA11 ARG 27 HB2 0.30 0.25 0.10 -0.04 1.90 2.52 2eovA11 ARG 27 HB3 0.40 0.05 0.00 -0.04 1.80 2.22 2eovA11 ARG 27 HG2 0.16 -0.09 -0.03 -0.04 1.67 1.67 2eovA11 ARG 27 HG3 0.30 -0.12 0.06 -0.04 1.67 1.87 2eovA11 ARG 27 HD2 0.08 0.01 0.01 -0.04 3.22 3.28 2eovA11 ARG 27 HD3 0.16 0.05 0.03 -0.04 3.22 3.42 2eovA11 LEU 28 H -0.07 0.39 -0.01 -0.55 8.37 8.14 2eovA11 LEU 28 HA -1.32 0.02 0.32 -0.75 4.35 2.62 2eovA11 LEU 28 HB2 -0.31 0.04 0.05 -0.04 1.64 1.37 2eovA11 LEU 28 HB3 -0.28 0.06 0.15 -0.04 1.64 1.52 2eovA11 LEU 28 HG -0.24 -0.02 -0.26 -0.04 1.64 1.08 2eovA11 LEU 28 HD13 -0.48 -0.01 -0.15 -0.04 0.93 0.25 2eovA11 LEU 28 HD23 -0.10 0.00 -0.08 -0.04 0.89 0.67 2eovA11 ARG 29 H -0.15 0.46 -0.15 -0.55 8.46 8.08 2eovA11 ARG 29 HA -0.09 0.01 0.36 -0.75 4.34 3.86 2eovA11 ARG 29 HB2 -0.05 0.11 0.08 -0.04 1.90 2.00 2eovA11 ARG 29 HB3 -0.05 0.01 -0.01 -0.04 1.80 1.71 2eovA11 ARG 29 HG2 -0.06 0.01 0.00 -0.04 1.67 1.58 2eovA11 ARG 29 HG3 -0.11 -0.01 -0.03 -0.04 1.67 1.49 2eovA11 ARG 29 HD2 -0.05 -0.02 -0.09 -0.04 3.22 3.02 2eovA11 ARG 29 HD3 -0.04 -0.08 -0.17 -0.04 3.22 2.89 2eovA11 ILE 30 H -0.05 0.53 -0.25 -0.55 8.25 7.93 2eovA11 ILE 30 HA -0.03 -0.00 0.42 -0.75 4.18 3.82 2eovA11 ILE 30 HB 0.03 0.16 0.14 -0.04 1.89 2.18 2eovA11 ILE 30 HG12 -0.01 -0.05 0.04 -0.04 1.49 1.42 2eovA11 ILE 30 HG13 -0.02 0.08 0.12 -0.04 1.21 1.35 2eovA11 ILE 30 HG23 0.00 -0.02 -0.01 -0.04 0.93 0.86 2eovA11 ILE 30 HD13 0.00 -0.06 -0.10 -0.04 0.88 0.68 2eovA11 HIS 31 H -0.06 0.41 -0.37 -0.55 8.41 7.85 2eovA11 HIS 31 HA -0.07 0.07 0.60 -0.75 4.63 4.47 2eovA11 HIS 31 HB2 0.10 -0.01 0.05 -0.04 3.26 3.36 2eovA11 HIS 31 HB3 -0.54 0.09 0.15 -0.04 3.20 2.86 2eovA11 HIS 31 HD2 0.03 -0.03 -0.18 -0.04 6.97 6.74 2eovA11 HIS 31 HE1 0.03 0.03 -0.02 -0.04 7.75 7.75 2eovA11 GLN 32 H -0.07 0.51 -0.04 -0.55 8.47 8.32 2eovA11 GLN 32 HA 0.05 -0.03 0.38 -0.75 4.36 4.02 2eovA11 GLN 32 HB2 -0.05 0.19 0.25 -0.04 2.15 2.50 2eovA11 GLN 32 HB3 -0.01 -0.02 -0.01 -0.04 2.02 1.94 2eovA11 GLN 32 HG2 0.02 -0.04 0.02 -0.04 2.40 2.37 2eovA11 GLN 32 HG3 -0.05 0.02 -0.06 -0.04 2.39 2.26 2eovA11 GLN 32 HE21 -0.02 -0.02 -0.02 -0.04 6.97 6.87 2eovA11 GLN 32 HE22 -0.01 0.02 -0.02 -0.04 7.69 7.65 2eovA11 LYS 33 H -0.05 0.37 -0.09 -0.55 8.42 8.09 2eovA11 LYS 33 HA -0.01 -0.02 0.38 -0.75 4.32 3.92 2eovA11 LYS 33 HB2 -0.02 0.03 0.00 -0.04 1.87 1.84 2eovA11 LYS 33 HB3 -0.02 -0.05 0.10 -0.04 1.79 1.78 2eovA11 LYS 33 HG2 -0.06 0.10 0.06 -0.04 1.46 1.52 2eovA11 LYS 33 HG3 -0.06 0.08 -0.02 -0.04 1.46 1.43 2eovA11 LYS 33 HD2 -0.02 -0.02 0.00 -0.04 1.69 1.61 2eovA11 LYS 33 HD3 -0.03 -0.06 0.02 -0.04 1.68 1.58 2eovA11 LYS 33 HE2 -0.03 -0.05 0.15 -0.04 2.99 3.02 2eovA11 LYS 33 HE3 -0.04 0.05 0.07 -0.04 2.99 3.03 2eovA11 CYS 34 H -0.14 0.19 -0.28 -0.55 8.50 7.72 2eovA11 CYS 34 HA -0.15 0.00 0.31 -0.75 4.58 3.98 2eovA11 CYS 34 HB2 -0.51 0.20 0.12 -0.04 2.97 2.73 2eovA11 CYS 34 HB3 -0.35 -0.07 0.03 -0.04 2.97 2.54 2eovA11 HIS 35 H -0.20 0.25 -0.61 -0.55 8.41 7.30 2eovA11 HIS 35 HA -0.04 -0.04 0.42 -0.75 4.63 4.22 2eovA11 HIS 35 HB2 -0.06 0.28 0.22 -0.04 3.26 3.66 2eovA11 HIS 35 HB3 -0.02 -0.09 -0.01 -0.04 3.20 3.04 2eovA11 HIS 35 HD2 -0.02 -0.04 0.02 -0.04 6.97 6.89 2eovA11 HIS 35 HE1 0.08 -0.02 -0.06 -0.04 7.75 7.71 2eovA11 THR 36 H 0.08 0.17 0.10 -0.55 8.28 8.08 2eovA11 THR 36 HA 0.05 -0.09 0.43 -0.75 4.39 4.03 2eovA11 THR 36 HB 0.02 -0.11 0.07 -0.04 4.32 4.26 2eovA11 THR 36 HG23 0.03 -0.03 0.05 -0.04 1.22 1.22 2eovA11 GLY 37 H 0.03 -0.03 0.11 -0.55 8.43 8.00 2eovA11 GLY 37 HA2 0.01 -0.13 0.42 -0.51 4.01 3.79 2eovA11 GLY 37 HA3 0.04 0.25 0.72 -0.51 4.01 4.51 2eovA11 GLU 38 H -0.02 0.08 0.09 -0.55 8.60 8.20 2eovA11 GLU 38 HA -0.10 0.22 0.64 -0.75 4.29 4.30 2eovA11 GLU 38 HB2 -0.05 0.02 0.21 -0.04 2.09 2.23 2eovA11 GLU 38 HB3 -0.03 -0.02 0.11 -0.04 1.99 2.01 2eovA11 GLU 38 HG2 -0.03 -0.06 0.09 -0.04 2.34 2.30 2eovA11 GLU 38 HG3 -0.04 0.03 0.10 -0.04 2.34 2.39 2eovA11 ARG 39 H -0.19 0.46 -0.75 -0.55 8.46 7.43 2eovA11 ARG 39 HA -0.21 0.05 0.41 -0.75 4.34 3.84 2eovA11 ARG 39 HB2 -0.05 -0.01 -0.08 -0.04 1.90 1.73 2eovA11 ARG 39 HB3 -0.06 0.15 -0.14 -0.04 1.80 1.71 2eovA11 ARG 39 HG2 -0.03 -0.15 -0.22 -0.04 1.67 1.23 2eovA11 ARG 39 HG3 -0.01 0.07 -0.07 -0.04 1.67 1.62 2eovA11 ARG 39 HD2 -0.02 0.02 -0.10 -0.04 3.22 3.08 2eovA11 ARG 39 HD3 -0.01 -0.04 -0.07 -0.04 3.22 3.06 2eovA11 HIS 40 H -0.13 0.10 -0.02 -0.55 8.41 7.81 2eovA11 HIS 40 HA -0.01 0.25 0.94 -0.75 4.63 5.05 2eovA11 HIS 40 HB2 -0.00 -0.08 0.07 -0.04 3.26 3.20 2eovA11 HIS 40 HB3 -0.01 -0.00 0.01 -0.04 3.20 3.16 2eovA11 HIS 40 HD2 -0.01 0.16 -0.17 -0.04 6.97 6.90 2eovA11 HIS 40 HE1 0.00 -0.05 -0.03 -0.04 7.75 7.63 2eovA11 SER 41 H 0.07 0.14 -0.03 -0.55 8.46 8.10 2eovA11 SER 41 HA 0.03 0.05 0.59 -0.75 4.49 4.40 2eovA11 SER 41 HB2 0.04 0.11 -0.14 -0.04 3.95 3.92 2eovA11 SER 41 HB3 0.05 -0.03 0.05 -0.04 3.93 3.96 2eovA11 GLY 42 H 0.01 0.09 0.05 -0.55 8.43 8.03 2eovA11 GLY 42 HA2 0.00 -0.01 0.32 -0.51 4.01 3.81 2eovA11 GLY 42 HA3 0.01 0.21 0.63 -0.51 4.01 4.35 2eovA11 PRO 43 HA -0.01 0.07 0.46 -0.51 4.44 4.44 2eovA11 PRO 43 HB2 -0.01 0.04 -0.00 -0.04 2.28 2.27 2eovA11 PRO 43 HB3 -0.01 -0.00 0.11 -0.04 2.02 2.08 2eovA11 PRO 43 HG2 0.00 0.03 0.14 -0.04 2.03 2.15 2eovA11 PRO 43 HG3 -0.00 0.02 0.10 -0.04 2.03 2.11 2eovA11 PRO 43 HD2 0.00 0.22 0.27 -0.04 3.68 4.13 2eovA11 PRO 43 HD3 -0.00 0.07 0.19 -0.04 3.65 3.87 2eovA11 SER 44 H -0.00 0.19 0.02 -0.55 8.46 8.12 2eovA11 SER 44 HA -0.01 0.18 0.75 -0.75 4.49 4.65 2eovA11 SER 44 HB2 0.00 -0.04 -0.02 -0.04 3.95 3.85 2eovA11 SER 44 HB3 0.01 0.02 0.08 -0.04 3.93 4.00 2eovA11 SER 45 H 0.02 0.08 0.11 -0.55 8.46 8.12 2eovA11 SER 45 HA 0.06 0.05 0.41 -0.75 4.49 4.26 2eovA11 SER 45 HB2 0.08 0.03 0.09 -0.04 3.95 4.12 2eovA11 SER 45 HB3 0.04 -0.02 0.11 -0.04 3.93 4.02 2eovA11 GLY 46 H 0.04 0.07 0.11 -0.55 8.43 8.10 2eovA11 GLY 46 HA2 0.02 0.01 0.17 -0.51 4.01 3.71 2eovA11 GLY 46 HA3 0.02 0.25 0.75 -0.51 4.01 4.51