============================================================================= 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 -0.549 -8.327 1.085 -99.200 -91.000 PHE 22 1.000 -1.822 -0.689 -3.135 -99.200 -91.000 TRP 24 1.040 2.642 -9.772 -6.207 -99.200 -91.000 TRP6 24 1.020 3.667 -11.607 -5.134 -99.200 -91.000 HIS 31 0.900 -0.413 3.683 -2.768 -99.200 -91.000 HIS 35 0.900 -0.986 7.913 0.100 -99.200 -91.000 HIS 40 0.900 0.794 22.349 9.857 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA2 GLY 1 HA2 0.00 -0.04 0.14 -0.51 4.01 3.60 2eovA2 GLY 1 HA3 0.00 -0.07 0.21 -0.51 4.01 3.64 2eovA2 SER 2 H -0.00 0.17 0.14 -0.55 8.46 8.22 2eovA2 SER 2 HA -0.00 0.17 0.78 -0.75 4.49 4.68 2eovA2 SER 2 HB2 -0.00 0.03 -0.19 -0.04 3.95 3.75 2eovA2 SER 2 HB3 -0.00 -0.05 -0.02 -0.04 3.93 3.82 2eovA2 SER 3 H -0.00 0.24 0.18 -0.55 8.46 8.33 2eovA2 SER 3 HA -0.00 0.15 0.83 -0.75 4.49 4.71 2eovA2 SER 3 HB2 -0.00 0.03 -0.18 -0.04 3.95 3.76 2eovA2 SER 3 HB3 -0.00 0.06 -0.10 -0.04 3.93 3.84 2eovA2 GLY 4 H -0.00 0.09 0.08 -0.55 8.43 8.05 2eovA2 GLY 4 HA2 -0.00 0.11 0.45 -0.51 4.01 4.06 2eovA2 GLY 4 HA3 -0.00 -0.06 0.43 -0.51 4.01 3.87 2eovA2 SER 5 H -0.01 0.07 0.14 -0.55 8.46 8.12 2eovA2 SER 5 HA -0.01 0.20 0.69 -0.75 4.49 4.62 2eovA2 SER 5 HB2 -0.01 0.05 0.07 -0.04 3.95 4.02 2eovA2 SER 5 HB3 -0.01 0.01 0.03 -0.04 3.93 3.92 2eovA2 SER 6 H -0.01 0.16 0.06 -0.55 8.46 8.12 2eovA2 SER 6 HA -0.01 0.24 0.84 -0.75 4.49 4.80 2eovA2 SER 6 HB2 -0.01 -0.01 0.12 -0.04 3.95 4.02 2eovA2 SER 6 HB3 -0.01 0.03 0.18 -0.04 3.93 4.09 2eovA2 GLY 7 H -0.01 0.08 -0.38 -0.55 8.43 7.58 2eovA2 GLY 7 HA2 -0.02 0.21 0.58 -0.51 4.01 4.26 2eovA2 GLY 7 HA3 -0.02 -0.01 0.36 -0.51 4.01 3.83 2eovA2 THR 8 H -0.02 0.14 0.09 -0.55 8.28 7.95 2eovA2 THR 8 HA -0.02 0.03 0.30 -0.75 4.39 3.95 2eovA2 THR 8 HB -0.02 0.03 0.20 -0.04 4.32 4.49 2eovA2 THR 8 HG23 -0.01 -0.01 0.02 -0.04 1.22 1.17 2eovA2 GLY 9 H -0.02 0.04 -0.52 -0.55 8.43 7.39 2eovA2 GLY 9 HA2 -0.03 0.11 0.77 -0.51 4.01 4.35 2eovA2 GLY 9 HA3 -0.04 0.08 0.20 -0.51 4.01 3.75 2eovA2 GLU 10 H -0.03 0.21 -0.01 -0.55 8.60 8.23 2eovA2 GLU 10 HA -0.03 0.20 0.93 -0.75 4.29 4.64 2eovA2 GLU 10 HB2 -0.03 -0.04 -0.12 -0.04 2.09 1.86 2eovA2 GLU 10 HB3 -0.04 -0.00 0.14 -0.04 1.99 2.05 2eovA2 GLU 10 HG2 -0.04 -0.02 -0.06 -0.04 2.34 2.18 2eovA2 GLU 10 HG3 -0.04 0.07 -0.16 -0.04 2.34 2.17 2eovA2 LYS 11 H -0.02 0.22 0.02 -0.55 8.42 8.08 2eovA2 LYS 11 HA -0.06 0.22 0.92 -0.75 4.32 4.65 2eovA2 LYS 11 HB2 0.05 0.10 0.01 -0.04 1.87 1.99 2eovA2 LYS 11 HB3 0.05 0.16 -0.11 -0.04 1.79 1.86 2eovA2 LYS 11 HG2 -0.03 -0.13 -0.41 -0.04 1.46 0.85 2eovA2 LYS 11 HG3 -0.02 -0.01 -0.49 -0.04 1.46 0.90 2eovA2 LYS 11 HD2 -0.02 -0.01 -0.19 -0.04 1.69 1.42 2eovA2 LYS 11 HD3 -0.00 -0.03 -0.21 -0.04 1.68 1.40 2eovA2 LYS 11 HE2 -0.04 0.26 -0.39 -0.04 2.99 2.78 2eovA2 LYS 11 HE3 -0.03 -0.07 -0.20 -0.04 2.99 2.64 2eovA2 PRO 12 HA -0.24 0.08 0.38 -0.51 4.44 4.16 2eovA2 PRO 12 HB2 -0.87 -0.01 0.10 -0.04 2.28 1.47 2eovA2 PRO 12 HB3 -0.31 0.01 0.13 -0.04 2.02 1.81 2eovA2 PRO 12 HG2 -0.56 0.09 0.06 -0.04 2.03 1.59 2eovA2 PRO 12 HG3 -0.25 0.01 0.13 -0.04 2.03 1.87 2eovA2 PRO 12 HD2 -0.06 0.12 0.31 -0.04 3.68 4.01 2eovA2 PRO 12 HD3 -0.14 0.15 0.23 -0.04 3.65 3.85 2eovA2 TYR 13 H -0.01 0.12 -0.72 -0.55 8.29 7.13 2eovA2 TYR 13 HA 0.04 0.16 0.81 -0.75 4.56 4.82 2eovA2 TYR 13 HB2 0.13 0.11 -0.10 -0.04 3.06 3.15 2eovA2 TYR 13 HB3 0.06 -0.06 -0.06 -0.04 2.98 2.88 2eovA2 TYR 13 HD2 0.02 0.12 -0.21 -0.04 7.15 7.04 2eovA2 TYR 13 HE2 -0.04 0.08 0.03 -0.04 6.85 6.88 2eovA2 LYS 14 H 0.18 0.23 0.06 -0.55 8.42 8.33 2eovA2 LYS 14 HA 0.26 0.18 0.95 -0.75 4.32 4.95 2eovA2 LYS 14 HB2 0.08 0.04 -0.23 -0.04 1.87 1.72 2eovA2 LYS 14 HB3 0.08 -0.02 -0.01 -0.04 1.79 1.80 2eovA2 LYS 14 HG2 0.10 0.12 -0.30 -0.04 1.46 1.34 2eovA2 LYS 14 HG3 0.05 -0.01 -0.16 -0.04 1.46 1.30 2eovA2 LYS 14 HD2 0.09 -0.04 -0.63 -0.04 1.69 1.07 2eovA2 LYS 14 HD3 0.07 -0.08 -0.16 -0.04 1.68 1.48 2eovA2 LYS 14 HE2 0.03 0.01 -0.09 -0.04 2.99 2.91 2eovA2 LYS 14 HE3 0.04 -0.03 -0.10 -0.04 2.99 2.86 2eovA2 CYS 15 H 0.42 0.61 0.26 -0.55 8.50 9.23 2eovA2 CYS 15 HA 0.12 0.03 0.41 -0.75 4.58 4.39 2eovA2 CYS 15 HB2 0.40 0.09 0.13 -0.04 2.97 3.55 2eovA2 CYS 15 HB3 0.38 -0.22 0.30 -0.04 2.97 3.39 2eovA2 SER 16 H 0.06 0.15 0.16 -0.55 8.46 8.28 2eovA2 SER 16 HA 0.03 0.22 0.67 -0.75 4.49 4.66 2eovA2 SER 16 HB2 0.03 0.05 0.12 -0.04 3.95 4.11 2eovA2 SER 16 HB3 0.01 -0.01 0.18 -0.04 3.93 4.07 2eovA2 ASP 17 H 0.02 -0.08 -0.64 -0.55 8.40 7.15 2eovA2 ASP 17 HA -0.12 0.27 0.85 -0.75 4.63 4.89 2eovA2 ASP 17 HB2 -0.21 -0.01 -0.15 -0.04 2.71 2.30 2eovA2 ASP 17 HB3 -0.66 -0.11 0.03 -0.04 2.70 1.92 2eovA2 CYS 18 H 0.03 -0.15 0.08 -0.55 8.50 7.91 2eovA2 CYS 18 HA 0.02 0.29 0.89 -0.75 4.58 5.03 2eovA2 CYS 18 HB2 0.16 0.07 -0.03 -0.04 2.97 3.13 2eovA2 CYS 18 HB3 0.25 0.07 -0.01 -0.04 2.97 3.24 2eovA2 GLY 19 H 0.14 -0.22 0.17 -0.55 8.43 7.98 2eovA2 GLY 19 HA2 0.06 0.15 0.27 -0.51 4.01 3.99 2eovA2 GLY 19 HA3 0.04 0.26 0.94 -0.51 4.01 4.75 2eovA2 LYS 20 H 0.18 -0.17 0.23 -0.55 8.42 8.10 2eovA2 LYS 20 HA -0.07 0.26 0.83 -0.75 4.32 4.58 2eovA2 LYS 20 HB2 0.04 -0.02 0.05 -0.04 1.87 1.90 2eovA2 LYS 20 HB3 -0.15 -0.08 -0.01 -0.04 1.79 1.52 2eovA2 LYS 20 HG2 -0.47 0.03 0.09 -0.04 1.46 1.06 2eovA2 LYS 20 HG3 -0.16 0.06 0.02 -0.04 1.46 1.34 2eovA2 LYS 20 HD2 -0.30 -0.04 -0.04 -0.04 1.69 1.27 2eovA2 LYS 20 HD3 -1.07 0.00 -0.08 -0.04 1.68 0.49 2eovA2 LYS 20 HE2 -0.21 0.04 0.00 -0.04 2.99 2.77 2eovA2 LYS 20 HE3 -0.08 0.02 -0.02 -0.04 2.99 2.86 2eovA2 SER 21 H -0.23 0.21 0.19 -0.55 8.46 8.08 2eovA2 SER 21 HA 0.10 0.23 1.08 -0.75 4.49 5.14 2eovA2 SER 21 HB2 -0.09 -0.00 0.12 -0.04 3.95 3.94 2eovA2 SER 21 HB3 -0.03 -0.04 -0.04 -0.04 3.93 3.78 2eovA2 PHE 22 H 0.36 0.63 0.17 -0.55 8.34 8.94 2eovA2 PHE 22 HA 0.03 0.17 0.92 -0.75 4.62 4.99 2eovA2 PHE 22 HB2 0.07 0.01 -0.10 -0.04 3.15 3.09 2eovA2 PHE 22 HB3 0.05 -0.06 0.01 -0.04 3.06 3.02 2eovA2 PHE 22 HD2 0.00 0.01 -0.18 -0.04 7.28 7.07 2eovA2 PHE 22 HE2 -0.19 -0.01 -0.08 -0.04 7.38 7.06 2eovA2 PHE 22 HZ -1.48 0.01 -0.07 -0.04 7.32 5.74 2eovA2 THR 23 H 0.17 0.13 0.14 -0.55 8.28 8.17 2eovA2 THR 23 HA 0.06 0.14 0.60 -0.75 4.39 4.43 2eovA2 THR 23 HB 0.03 -0.06 0.13 -0.04 4.32 4.38 2eovA2 THR 23 HG23 -0.28 0.01 -0.00 -0.04 1.22 0.91 2eovA2 TRP 24 H 0.29 0.04 0.06 -0.55 7.97 7.81 2eovA2 TRP 24 HA 0.03 0.23 0.79 -0.75 4.62 4.91 2eovA2 TRP 24 HB2 0.02 -0.00 0.12 -0.04 3.23 3.32 2eovA2 TRP 24 HB3 -0.04 -0.12 0.00 -0.04 3.23 3.02 2eovA2 TRP 24 HD1 0.04 -0.01 0.01 -0.04 7.22 7.22 2eovA2 TRP 24 HE1 0.03 0.05 -0.01 -0.04 10.20 10.23 2eovA2 TRP 24 HE3 -0.01 -0.16 0.10 -0.04 7.59 7.48 2eovA2 TRP 24 HZ2 0.02 0.03 0.00 -0.04 7.44 7.46 2eovA2 TRP 24 HZ3 0.02 0.02 0.04 -0.04 7.13 7.17 2eovA2 TRP 24 HH2 0.02 0.03 0.01 -0.04 7.19 7.22 2eovA2 LYS 25 H -0.09 0.23 0.14 -0.55 8.42 8.14 2eovA2 LYS 25 HA -0.85 0.13 0.37 -0.75 4.32 3.22 2eovA2 LYS 25 HB2 -1.07 0.12 0.08 -0.04 1.87 0.96 2eovA2 LYS 25 HB3 -0.17 -0.04 0.14 -0.04 1.79 1.68 2eovA2 LYS 25 HG2 -0.12 -0.01 -0.23 -0.04 1.46 1.06 2eovA2 LYS 25 HG3 -0.26 -0.01 -0.01 -0.04 1.46 1.14 2eovA2 LYS 25 HD2 0.12 0.05 0.00 -0.04 1.69 1.82 2eovA2 LYS 25 HD3 0.02 0.00 -0.01 -0.04 1.68 1.66 2eovA2 LYS 25 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.91 2eovA2 LYS 25 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.94 2eovA2 SER 26 H 0.03 0.11 -0.02 -0.55 8.46 8.03 2eovA2 SER 26 HA -0.05 0.11 0.32 -0.75 4.49 4.10 2eovA2 SER 26 HB2 -0.05 0.05 0.10 -0.04 3.95 4.01 2eovA2 SER 26 HB3 -0.07 -0.06 0.03 -0.04 3.93 3.80 2eovA2 ARG 27 H 0.04 0.03 -0.43 -0.55 8.46 7.55 2eovA2 ARG 27 HA -0.00 0.07 0.31 -0.75 4.34 3.97 2eovA2 ARG 27 HB2 0.14 0.12 0.04 -0.04 1.90 2.15 2eovA2 ARG 27 HB3 0.14 0.04 -0.00 -0.04 1.80 1.94 2eovA2 ARG 27 HG2 0.12 -0.12 0.00 -0.04 1.67 1.63 2eovA2 ARG 27 HG3 0.24 -0.02 0.04 -0.04 1.67 1.88 2eovA2 ARG 27 HD2 0.01 0.01 -0.01 -0.04 3.22 3.20 2eovA2 ARG 27 HD3 -0.03 0.02 -0.01 -0.04 3.22 3.15 2eovA2 LEU 28 H -0.17 0.32 -0.27 -0.55 8.37 7.70 2eovA2 LEU 28 HA -0.81 -0.03 0.34 -0.75 4.35 3.10 2eovA2 LEU 28 HB2 -0.41 -0.04 0.02 -0.04 1.64 1.18 2eovA2 LEU 28 HB3 -0.24 0.26 0.17 -0.04 1.64 1.80 2eovA2 LEU 28 HG -0.15 0.01 -0.38 -0.04 1.64 1.09 2eovA2 LEU 28 HD13 -0.28 -0.03 -0.12 -0.04 0.93 0.46 2eovA2 LEU 28 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.76 2eovA2 ARG 29 H -0.13 0.45 -0.14 -0.55 8.46 8.09 2eovA2 ARG 29 HA -0.06 -0.01 0.32 -0.75 4.34 3.84 2eovA2 ARG 29 HB2 -0.06 0.22 0.17 -0.04 1.90 2.18 2eovA2 ARG 29 HB3 -0.04 0.00 -0.04 -0.04 1.80 1.68 2eovA2 ARG 29 HG2 -0.04 -0.01 0.03 -0.04 1.67 1.62 2eovA2 ARG 29 HG3 -0.06 -0.02 -0.02 -0.04 1.67 1.54 2eovA2 ARG 29 HD2 -0.02 0.02 -0.01 -0.04 3.22 3.16 2eovA2 ARG 29 HD3 -0.02 -0.01 -0.02 -0.04 3.22 3.13 2eovA2 ILE 30 H -0.06 0.37 -0.35 -0.55 8.25 7.67 2eovA2 ILE 30 HA -0.03 0.04 0.46 -0.75 4.18 3.90 2eovA2 ILE 30 HB -0.00 0.13 0.14 -0.04 1.89 2.12 2eovA2 ILE 30 HG12 -0.02 -0.01 -0.00 -0.04 1.49 1.41 2eovA2 ILE 30 HG13 -0.03 0.05 0.02 -0.04 1.21 1.20 2eovA2 ILE 30 HG23 -0.00 -0.02 -0.08 -0.04 0.93 0.80 2eovA2 ILE 30 HD13 -0.02 -0.03 -0.06 -0.04 0.88 0.72 2eovA2 HIS 31 H -0.01 0.49 -0.00 -0.55 8.41 8.34 2eovA2 HIS 31 HA -0.03 -0.00 0.38 -0.75 4.63 4.23 2eovA2 HIS 31 HB2 -0.15 -0.02 0.08 -0.04 3.26 3.13 2eovA2 HIS 31 HB3 -0.35 0.07 0.22 -0.04 3.20 3.09 2eovA2 HIS 31 HD2 0.13 -0.08 -0.07 -0.04 6.97 6.91 2eovA2 HIS 31 HE1 0.12 0.04 -0.04 -0.04 7.75 7.83 2eovA2 GLN 32 H -0.01 0.57 -0.08 -0.55 8.47 8.41 2eovA2 GLN 32 HA 0.10 -0.08 0.30 -0.75 4.36 3.92 2eovA2 GLN 32 HB2 -0.01 0.21 0.08 -0.04 2.15 2.39 2eovA2 GLN 32 HB3 0.01 0.04 -0.06 -0.04 2.02 1.96 2eovA2 GLN 32 HG2 0.04 -0.08 0.02 -0.04 2.40 2.34 2eovA2 GLN 32 HG3 0.00 -0.01 -0.02 -0.04 2.39 2.31 2eovA2 GLN 32 HE21 0.01 -0.13 -0.01 -0.04 6.97 6.80 2eovA2 GLN 32 HE22 0.01 0.03 -0.01 -0.04 7.69 7.67 2eovA2 LYS 33 H -0.04 0.26 -0.49 -0.55 8.42 7.60 2eovA2 LYS 33 HA -0.02 -0.00 0.29 -0.75 4.32 3.84 2eovA2 LYS 33 HB2 -0.04 0.26 0.16 -0.04 1.87 2.22 2eovA2 LYS 33 HB3 -0.03 -0.07 -0.01 -0.04 1.79 1.63 2eovA2 LYS 33 HG2 -0.02 -0.06 0.03 -0.04 1.46 1.37 2eovA2 LYS 33 HG3 -0.02 0.08 0.10 -0.04 1.46 1.58 2eovA2 LYS 33 HD2 -0.02 -0.05 -0.00 -0.04 1.69 1.57 2eovA2 LYS 33 HD3 -0.02 0.03 0.11 -0.04 1.68 1.75 2eovA2 LYS 33 HE2 -0.02 -0.01 -0.00 -0.04 2.99 2.92 2eovA2 LYS 33 HE3 -0.02 -0.05 -0.00 -0.04 2.99 2.87 2eovA2 CYS 34 H -0.14 0.39 -0.08 -0.55 8.50 8.11 2eovA2 CYS 34 HA -0.12 -0.07 0.34 -0.75 4.58 3.98 2eovA2 CYS 34 HB2 -0.60 0.10 0.11 -0.04 2.97 2.54 2eovA2 CYS 34 HB3 -0.28 -0.09 0.03 -0.04 2.97 2.59 2eovA2 HIS 35 H -0.24 0.31 -0.46 -0.55 8.41 7.48 2eovA2 HIS 35 HA -0.05 -0.02 0.50 -0.75 4.63 4.29 2eovA2 HIS 35 HB2 -0.07 0.16 0.22 -0.04 3.26 3.54 2eovA2 HIS 35 HB3 -0.04 -0.04 0.08 -0.04 3.20 3.16 2eovA2 HIS 35 HD2 -0.22 0.02 -0.04 -0.04 6.97 6.68 2eovA2 HIS 35 HE1 0.06 -0.01 -0.07 -0.04 7.75 7.69 2eovA2 THR 36 H -0.01 0.33 0.41 -0.55 8.28 8.46 2eovA2 THR 36 HA 0.01 0.12 0.79 -0.75 4.39 4.56 2eovA2 THR 36 HB -0.00 -0.07 0.15 -0.04 4.32 4.36 2eovA2 THR 36 HG23 -0.02 0.04 -0.02 -0.04 1.22 1.17 2eovA2 GLY 37 H 0.01 0.13 0.16 -0.55 8.43 8.19 2eovA2 GLY 37 HA2 0.01 0.20 0.77 -0.51 4.01 4.49 2eovA2 GLY 37 HA3 0.01 0.02 0.32 -0.51 4.01 3.85 2eovA2 GLU 38 H 0.02 0.23 0.18 -0.55 8.60 8.49 2eovA2 GLU 38 HA 0.02 0.18 0.89 -0.75 4.29 4.62 2eovA2 GLU 38 HB2 0.02 0.07 -0.12 -0.04 2.09 2.02 2eovA2 GLU 38 HB3 0.04 0.00 -0.01 -0.04 1.99 1.98 2eovA2 GLU 38 HG2 0.03 0.02 -0.04 -0.04 2.34 2.30 2eovA2 GLU 38 HG3 0.04 0.05 -0.27 -0.04 2.34 2.12 2eovA2 ARG 39 H 0.02 0.18 0.12 -0.55 8.46 8.22 2eovA2 ARG 39 HA 0.04 0.08 0.41 -0.75 4.34 4.11 2eovA2 ARG 39 HB2 0.01 0.00 0.25 -0.04 1.90 2.13 2eovA2 ARG 39 HB3 0.01 -0.00 0.12 -0.04 1.80 1.89 2eovA2 ARG 39 HG2 0.01 -0.02 0.11 -0.04 1.67 1.74 2eovA2 ARG 39 HG3 0.01 0.03 0.08 -0.04 1.67 1.75 2eovA2 ARG 39 HD2 0.01 0.03 0.02 -0.04 3.22 3.23 2eovA2 ARG 39 HD3 0.01 0.00 0.02 -0.04 3.22 3.21 2eovA2 HIS 40 H 0.12 0.29 0.36 -0.55 8.41 8.63 2eovA2 HIS 40 HA 0.00 0.08 0.50 -0.75 4.63 4.46 2eovA2 HIS 40 HB2 0.00 0.05 0.16 -0.04 3.26 3.43 2eovA2 HIS 40 HB3 0.00 -0.00 0.20 -0.04 3.20 3.35 2eovA2 HIS 40 HD2 0.00 -0.02 0.00 -0.04 6.97 6.91 2eovA2 HIS 40 HE1 0.00 -0.00 0.01 -0.04 7.75 7.72 2eovA2 SER 41 H -0.02 0.31 -0.82 -0.55 8.46 7.38 2eovA2 SER 41 HA -0.04 0.13 0.56 -0.75 4.49 4.39 2eovA2 SER 41 HB2 -0.01 -0.05 -0.02 -0.04 3.95 3.82 2eovA2 SER 41 HB3 -0.03 -0.04 0.00 -0.04 3.93 3.83 2eovA2 GLY 42 H -0.08 0.06 0.01 -0.55 8.43 7.88 2eovA2 GLY 42 HA2 -0.10 -0.04 0.31 -0.51 4.01 3.68 2eovA2 GLY 42 HA3 -0.10 0.24 0.86 -0.51 4.01 4.50 2eovA2 PRO 43 HA -0.02 0.10 0.46 -0.51 4.44 4.47 2eovA2 PRO 43 HB2 -0.01 0.04 0.01 -0.04 2.28 2.27 2eovA2 PRO 43 HB3 -0.01 0.02 0.12 -0.04 2.02 2.11 2eovA2 PRO 43 HG2 -0.02 -0.05 0.16 -0.04 2.03 2.08 2eovA2 PRO 43 HG3 -0.01 0.07 0.12 -0.04 2.03 2.16 2eovA2 PRO 43 HD2 -0.05 0.12 0.24 -0.04 3.68 3.95 2eovA2 PRO 43 HD3 -0.04 0.07 0.24 -0.04 3.65 3.88 2eovA2 SER 44 H -0.02 0.03 -0.00 -0.55 8.46 7.92 2eovA2 SER 44 HA -0.01 0.08 0.34 -0.75 4.49 4.14 2eovA2 SER 44 HB2 -0.01 -0.04 0.09 -0.04 3.95 3.95 2eovA2 SER 44 HB3 -0.01 0.02 0.10 -0.04 3.93 4.00 2eovA2 SER 45 H -0.01 0.11 0.06 -0.55 8.46 8.08 2eovA2 SER 45 HA -0.01 0.26 0.62 -0.75 4.49 4.60 2eovA2 SER 45 HB2 -0.01 -0.03 0.15 -0.04 3.95 4.01 2eovA2 SER 45 HB3 -0.01 0.01 0.22 -0.04 3.93 4.11 2eovA2 GLY 46 H -0.02 0.26 -0.92 -0.55 8.43 7.20 2eovA2 GLY 46 HA2 -0.02 0.05 0.07 -0.51 4.01 3.60 2eovA2 GLY 46 HA3 -0.01 0.13 0.16 -0.51 4.01 3.78