============================================================================= 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 -0.423 -8.107 1.036 -99.200 -91.000 PHE 22 1.000 -1.889 -0.682 -2.918 -99.200 -91.000 TRP 24 1.040 1.342 -8.993 -6.648 -99.200 -91.000 TRP6 24 1.020 2.186 -11.186 -6.862 -99.200 -91.000 HIS 31 0.900 -0.544 3.577 -2.811 -99.200 -91.000 HIS 35 0.900 -0.638 7.579 0.389 -99.200 -91.000 HIS 40 0.900 -3.185 22.452 3.595 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA14 GLY 1 HA2 0.00 -0.00 0.15 -0.51 4.01 3.65 2eovA14 GLY 1 HA3 0.00 -0.03 0.17 -0.51 4.01 3.65 2eovA14 SER 2 H 0.00 0.12 0.02 -0.55 8.46 8.06 2eovA14 SER 2 HA 0.00 0.16 0.62 -0.75 4.49 4.52 2eovA14 SER 2 HB2 0.00 -0.03 0.12 -0.04 3.95 4.00 2eovA14 SER 2 HB3 0.00 0.09 0.19 -0.04 3.93 4.17 2eovA14 SER 3 H 0.00 0.29 -0.79 -0.55 8.46 7.42 2eovA14 SER 3 HA 0.01 -0.01 0.28 -0.75 4.49 4.01 2eovA14 SER 3 HB2 0.01 0.02 0.07 -0.04 3.95 4.00 2eovA14 SER 3 HB3 0.01 -0.00 -0.05 -0.04 3.93 3.85 2eovA14 GLY 4 H 0.01 0.03 -0.25 -0.55 8.43 7.68 2eovA14 GLY 4 HA2 0.00 0.22 0.89 -0.51 4.01 4.62 2eovA14 GLY 4 HA3 0.01 -0.05 0.32 -0.51 4.01 3.78 2eovA14 SER 5 H 0.00 0.11 0.14 -0.55 8.46 8.17 2eovA14 SER 5 HA -0.00 0.23 0.90 -0.75 4.49 4.86 2eovA14 SER 5 HB2 -0.00 -0.03 0.04 -0.04 3.95 3.92 2eovA14 SER 5 HB3 -0.00 0.03 0.03 -0.04 3.93 3.94 2eovA14 SER 6 H -0.00 0.22 0.17 -0.55 8.46 8.30 2eovA14 SER 6 HA -0.01 0.15 0.94 -0.75 4.49 4.83 2eovA14 SER 6 HB2 -0.00 -0.03 0.06 -0.04 3.95 3.93 2eovA14 SER 6 HB3 -0.00 0.05 -0.10 -0.04 3.93 3.84 2eovA14 GLY 7 H -0.01 0.10 0.09 -0.55 8.43 8.06 2eovA14 GLY 7 HA2 -0.01 0.09 0.37 -0.51 4.01 3.95 2eovA14 GLY 7 HA3 -0.01 0.07 0.42 -0.51 4.01 3.98 2eovA14 THR 8 H -0.01 0.03 0.15 -0.55 8.28 7.90 2eovA14 THR 8 HA -0.02 0.08 0.44 -0.75 4.39 4.13 2eovA14 THR 8 HB -0.01 0.01 0.04 -0.04 4.32 4.33 2eovA14 THR 8 HG23 -0.01 0.01 0.06 -0.04 1.22 1.25 2eovA14 GLY 9 H -0.02 0.18 0.11 -0.55 8.43 8.15 2eovA14 GLY 9 HA2 -0.02 0.02 0.52 -0.51 4.01 4.02 2eovA14 GLY 9 HA3 -0.02 0.10 0.26 -0.51 4.01 3.85 2eovA14 GLU 10 H -0.02 0.11 0.09 -0.55 8.60 8.23 2eovA14 GLU 10 HA -0.03 0.00 0.37 -0.75 4.29 3.88 2eovA14 GLU 10 HB2 -0.04 -0.01 0.12 -0.04 2.09 2.12 2eovA14 GLU 10 HB3 -0.05 0.04 -0.01 -0.04 1.99 1.93 2eovA14 GLU 10 HG2 -0.02 -0.05 0.09 -0.04 2.34 2.32 2eovA14 GLU 10 HG3 -0.03 0.01 0.05 -0.04 2.34 2.33 2eovA14 LYS 11 H -0.04 0.18 0.23 -0.55 8.42 8.23 2eovA14 LYS 11 HA -0.09 0.14 0.77 -0.75 4.32 4.39 2eovA14 LYS 11 HB2 0.03 0.03 -0.02 -0.04 1.87 1.86 2eovA14 LYS 11 HB3 -0.01 0.11 -0.19 -0.04 1.79 1.65 2eovA14 LYS 11 HG2 0.02 0.03 0.06 -0.04 1.46 1.53 2eovA14 LYS 11 HG3 0.08 -0.23 0.16 -0.04 1.46 1.43 2eovA14 LYS 11 HD2 -0.00 0.07 0.04 -0.04 1.69 1.76 2eovA14 LYS 11 HD3 -0.01 -0.17 0.14 -0.04 1.68 1.60 2eovA14 LYS 11 HE2 0.05 -0.02 0.05 -0.04 2.99 3.02 2eovA14 LYS 11 HE3 0.01 -0.07 -0.03 -0.04 2.99 2.86 2eovA14 PRO 12 HA -0.24 0.07 0.45 -0.51 4.44 4.21 2eovA14 PRO 12 HB2 -0.95 -0.01 0.04 -0.04 2.28 1.32 2eovA14 PRO 12 HB3 -0.35 0.01 0.13 -0.04 2.02 1.77 2eovA14 PRO 12 HG2 -0.84 0.05 0.10 -0.04 2.03 1.31 2eovA14 PRO 12 HG3 -0.34 0.03 0.14 -0.04 2.03 1.82 2eovA14 PRO 12 HD2 -0.13 0.13 0.33 -0.04 3.68 3.97 2eovA14 PRO 12 HD3 -0.19 0.13 0.19 -0.04 3.65 3.74 2eovA14 TYR 13 H -0.09 0.19 -0.21 -0.55 8.29 7.63 2eovA14 TYR 13 HA 0.01 0.19 0.90 -0.75 4.56 4.91 2eovA14 TYR 13 HB2 0.10 0.17 -0.07 -0.04 3.06 3.23 2eovA14 TYR 13 HB3 -0.00 -0.09 -0.01 -0.04 2.98 2.84 2eovA14 TYR 13 HD2 0.00 0.13 -0.26 -0.04 7.15 6.98 2eovA14 TYR 13 HE2 -0.04 0.16 0.01 -0.04 6.85 6.94 2eovA14 LYS 14 H 0.14 0.15 0.03 -0.55 8.42 8.18 2eovA14 LYS 14 HA 0.31 0.07 0.63 -0.75 4.32 4.57 2eovA14 LYS 14 HB2 0.09 0.16 -0.19 -0.04 1.87 1.89 2eovA14 LYS 14 HB3 0.06 -0.05 -0.08 -0.04 1.79 1.68 2eovA14 LYS 14 HG2 0.10 0.06 -0.31 -0.04 1.46 1.27 2eovA14 LYS 14 HG3 0.09 -0.04 -0.20 -0.04 1.46 1.27 2eovA14 LYS 14 HD2 0.04 0.01 -0.16 -0.04 1.69 1.54 2eovA14 LYS 14 HD3 0.03 -0.03 -0.11 -0.04 1.68 1.53 2eovA14 LYS 14 HE2 0.04 -0.07 -0.18 -0.04 2.99 2.74 2eovA14 LYS 14 HE3 0.04 0.05 -0.18 -0.04 2.99 2.86 2eovA14 CYS 15 H 0.27 0.31 0.11 -0.55 8.50 8.64 2eovA14 CYS 15 HA -0.04 0.02 0.47 -0.75 4.58 4.28 2eovA14 CYS 15 HB2 -0.14 0.10 0.10 -0.04 2.97 2.99 2eovA14 CYS 15 HB3 0.22 -0.28 0.25 -0.04 2.97 3.12 2eovA14 SER 16 H -0.01 0.14 0.28 -0.55 8.46 8.32 2eovA14 SER 16 HA 0.01 0.19 0.52 -0.75 4.49 4.46 2eovA14 SER 16 HB2 -0.00 0.05 0.13 -0.04 3.95 4.09 2eovA14 SER 16 HB3 -0.02 -0.01 0.04 -0.04 3.93 3.89 2eovA14 ASP 17 H -0.08 -0.05 -0.05 -0.55 8.40 7.68 2eovA14 ASP 17 HA -0.10 0.11 0.39 -0.75 4.63 4.28 2eovA14 ASP 17 HB2 -0.62 -0.09 0.07 -0.04 2.71 2.03 2eovA14 ASP 17 HB3 -0.39 0.11 0.05 -0.04 2.70 2.42 2eovA14 CYS 18 H -0.05 -0.15 -0.23 -0.55 8.50 7.52 2eovA14 CYS 18 HA 0.03 0.26 0.87 -0.75 4.58 4.99 2eovA14 CYS 18 HB2 0.16 0.05 -0.05 -0.04 2.97 3.09 2eovA14 CYS 18 HB3 0.22 0.05 -0.05 -0.04 2.97 3.14 2eovA14 GLY 19 H 0.11 -0.19 0.04 -0.55 8.43 7.83 2eovA14 GLY 19 HA2 0.06 0.19 0.30 -0.51 4.01 4.05 2eovA14 GLY 19 HA3 0.05 0.20 0.93 -0.51 4.01 4.69 2eovA14 LYS 20 H 0.19 -0.08 0.22 -0.55 8.42 8.20 2eovA14 LYS 20 HA 0.01 0.24 0.81 -0.75 4.32 4.62 2eovA14 LYS 20 HB2 0.27 -0.11 0.10 -0.04 1.87 2.08 2eovA14 LYS 20 HB3 -0.37 0.08 0.02 -0.04 1.79 1.48 2eovA14 LYS 20 HG2 0.00 0.07 -0.02 -0.04 1.46 1.48 2eovA14 LYS 20 HG3 0.18 -0.03 -0.11 -0.04 1.46 1.46 2eovA14 LYS 20 HD2 0.04 -0.03 -0.02 -0.04 1.69 1.64 2eovA14 LYS 20 HD3 -0.09 0.02 0.00 -0.04 1.68 1.57 2eovA14 LYS 20 HE2 0.12 0.02 -0.04 -0.04 2.99 3.06 2eovA14 LYS 20 HE3 0.37 -0.00 -0.04 -0.04 2.99 3.28 2eovA14 SER 21 H -0.22 0.19 0.17 -0.55 8.46 8.06 2eovA14 SER 21 HA 0.16 0.22 0.99 -0.75 4.49 5.11 2eovA14 SER 21 HB2 -0.01 0.09 0.02 -0.04 3.95 4.00 2eovA14 SER 21 HB3 -0.01 0.03 0.02 -0.04 3.93 3.94 2eovA14 PHE 22 H 0.33 0.54 0.03 -0.55 8.34 8.68 2eovA14 PHE 22 HA 0.07 0.13 0.79 -0.75 4.62 4.86 2eovA14 PHE 22 HB2 0.08 -0.05 -0.13 -0.04 3.15 3.00 2eovA14 PHE 22 HB3 0.07 0.01 -0.02 -0.04 3.06 3.07 2eovA14 PHE 22 HD2 -0.01 -0.02 -0.35 -0.04 7.28 6.86 2eovA14 PHE 22 HE2 -0.20 -0.02 -0.19 -0.04 7.38 6.93 2eovA14 PHE 22 HZ -1.70 0.04 -0.07 -0.04 7.32 5.54 2eovA14 THR 23 H 0.18 0.18 0.13 -0.55 8.28 8.22 2eovA14 THR 23 HA 0.00 0.15 0.63 -0.75 4.39 4.42 2eovA14 THR 23 HB -0.60 0.02 0.05 -0.04 4.32 3.74 2eovA14 THR 23 HG23 -0.07 0.03 0.03 -0.04 1.22 1.17 2eovA14 TRP 24 H 0.38 0.06 -0.03 -0.55 7.97 7.84 2eovA14 TRP 24 HA 0.09 0.24 0.95 -0.75 4.62 5.15 2eovA14 TRP 24 HB2 0.02 -0.06 0.06 -0.04 3.23 3.21 2eovA14 TRP 24 HB3 -0.00 0.01 0.03 -0.04 3.23 3.23 2eovA14 TRP 24 HD1 0.06 -0.06 0.04 -0.04 7.22 7.23 2eovA14 TRP 24 HE1 0.03 0.06 -0.02 -0.04 10.20 10.23 2eovA14 TRP 24 HE3 0.04 -0.05 0.02 -0.04 7.59 7.55 2eovA14 TRP 24 HZ2 0.02 0.03 -0.01 -0.04 7.44 7.44 2eovA14 TRP 24 HZ3 0.03 0.02 0.00 -0.04 7.13 7.14 2eovA14 TRP 24 HH2 0.02 0.03 -0.00 -0.04 7.19 7.20 2eovA14 LYS 25 H -0.35 0.26 0.11 -0.55 8.42 7.89 2eovA14 LYS 25 HA -0.80 0.10 0.37 -0.75 4.32 3.24 2eovA14 LYS 25 HB2 -1.14 0.11 0.09 -0.04 1.87 0.89 2eovA14 LYS 25 HB3 -0.23 -0.05 0.15 -0.04 1.79 1.62 2eovA14 LYS 25 HG2 -0.18 -0.03 -0.23 -0.04 1.46 0.98 2eovA14 LYS 25 HG3 -0.29 0.02 -0.01 -0.04 1.46 1.14 2eovA14 LYS 25 HD2 -0.03 -0.00 -0.00 -0.04 1.69 1.62 2eovA14 LYS 25 HD3 -0.03 0.03 -0.04 -0.04 1.68 1.60 2eovA14 LYS 25 HE2 0.14 0.00 -0.01 -0.04 2.99 3.08 2eovA14 LYS 25 HE3 0.25 0.02 0.00 -0.04 2.99 3.22 2eovA14 SER 26 H -0.03 0.15 -0.01 -0.55 8.46 8.02 2eovA14 SER 26 HA -0.03 0.08 0.31 -0.75 4.49 4.09 2eovA14 SER 26 HB2 0.03 -0.02 -0.01 -0.04 3.95 3.90 2eovA14 SER 26 HB3 -0.01 0.08 0.02 -0.04 3.93 3.98 2eovA14 ARG 27 H 0.07 0.02 -0.84 -0.55 8.46 7.16 2eovA14 ARG 27 HA 0.05 0.08 0.45 -0.75 4.34 4.16 2eovA14 ARG 27 HB2 0.26 0.13 0.07 -0.04 1.90 2.31 2eovA14 ARG 27 HB3 0.18 0.03 0.02 -0.04 1.80 1.98 2eovA14 ARG 27 HG2 0.11 -0.15 -0.07 -0.04 1.67 1.53 2eovA14 ARG 27 HG3 0.19 -0.03 0.02 -0.04 1.67 1.81 2eovA14 ARG 27 HD2 0.01 0.05 -0.01 -0.04 3.22 3.23 2eovA14 ARG 27 HD3 -0.04 -0.01 -0.09 -0.04 3.22 3.03 2eovA14 LEU 28 H -0.07 0.36 0.04 -0.55 8.37 8.16 2eovA14 LEU 28 HA -0.65 -0.01 0.31 -0.75 4.35 3.24 2eovA14 LEU 28 HB2 -0.37 -0.02 0.08 -0.04 1.64 1.28 2eovA14 LEU 28 HB3 -0.25 0.10 0.15 -0.04 1.64 1.60 2eovA14 LEU 28 HG -0.23 0.02 -0.26 -0.04 1.64 1.14 2eovA14 LEU 28 HD13 -0.83 -0.03 -0.07 -0.04 0.93 -0.04 2eovA14 LEU 28 HD23 -0.11 -0.01 -0.07 -0.04 0.89 0.66 2eovA14 ARG 29 H -0.09 0.37 -0.33 -0.55 8.46 7.85 2eovA14 ARG 29 HA -0.04 0.02 0.32 -0.75 4.34 3.89 2eovA14 ARG 29 HB2 -0.03 0.22 0.12 -0.04 1.90 2.17 2eovA14 ARG 29 HB3 -0.02 0.02 -0.02 -0.04 1.80 1.74 2eovA14 ARG 29 HG2 -0.03 -0.00 0.00 -0.04 1.67 1.59 2eovA14 ARG 29 HG3 -0.06 -0.02 -0.05 -0.04 1.67 1.50 2eovA14 ARG 29 HD2 -0.02 0.01 0.01 -0.04 3.22 3.17 2eovA14 ARG 29 HD3 -0.02 0.02 -0.01 -0.04 3.22 3.17 2eovA14 ILE 30 H 0.00 0.30 -0.06 -0.55 8.25 7.95 2eovA14 ILE 30 HA 0.00 0.00 0.36 -0.75 4.18 3.80 2eovA14 ILE 30 HB 0.06 0.12 0.12 -0.04 1.89 2.14 2eovA14 ILE 30 HG12 0.01 -0.02 0.05 -0.04 1.49 1.49 2eovA14 ILE 30 HG13 0.00 -0.05 0.09 -0.04 1.21 1.22 2eovA14 ILE 30 HG23 0.02 -0.01 -0.02 -0.04 0.93 0.88 2eovA14 ILE 30 HD13 0.01 -0.01 0.16 -0.04 0.88 1.00 2eovA14 HIS 31 H 0.11 0.42 -0.41 -0.55 8.41 7.99 2eovA14 HIS 31 HA 0.05 0.03 0.41 -0.75 4.63 4.36 2eovA14 HIS 31 HB2 0.28 -0.05 0.04 -0.04 3.26 3.49 2eovA14 HIS 31 HB3 -0.14 0.17 0.14 -0.04 3.20 3.32 2eovA14 HIS 31 HD2 0.07 -0.02 -0.22 -0.04 6.97 6.76 2eovA14 HIS 31 HE1 0.25 0.02 -0.02 -0.04 7.75 7.95 2eovA14 GLN 32 H 0.05 0.59 -0.07 -0.55 8.47 8.50 2eovA14 GLN 32 HA 0.20 -0.00 0.47 -0.75 4.36 4.27 2eovA14 GLN 32 HB2 0.01 0.13 0.17 -0.04 2.15 2.42 2eovA14 GLN 32 HB3 0.03 -0.05 0.04 -0.04 2.02 2.00 2eovA14 GLN 32 HG2 0.06 -0.11 -0.00 -0.04 2.40 2.31 2eovA14 GLN 32 HG3 -0.03 0.19 -0.11 -0.04 2.39 2.39 2eovA14 GLN 32 HE21 -0.02 -0.06 0.03 -0.04 6.97 6.88 2eovA14 GLN 32 HE22 -0.03 0.01 0.01 -0.04 7.69 7.64 2eovA14 LYS 33 H -0.01 0.48 -0.16 -0.55 8.42 8.17 2eovA14 LYS 33 HA -0.01 -0.01 0.34 -0.75 4.32 3.89 2eovA14 LYS 33 HB2 -0.03 0.25 0.11 -0.04 1.87 2.16 2eovA14 LYS 33 HB3 -0.02 -0.05 0.06 -0.04 1.79 1.74 2eovA14 LYS 33 HG2 -0.01 0.08 -0.05 -0.04 1.46 1.44 2eovA14 LYS 33 HG3 -0.01 -0.06 -0.02 -0.04 1.46 1.33 2eovA14 LYS 33 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 2eovA14 LYS 33 HD3 -0.01 -0.05 -0.04 -0.04 1.68 1.54 2eovA14 LYS 33 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2eovA14 LYS 33 HE3 -0.01 0.03 0.01 -0.04 2.99 2.98 2eovA14 CYS 34 H -0.13 0.28 -0.74 -0.55 8.50 7.36 2eovA14 CYS 34 HA -0.11 0.12 0.71 -0.75 4.58 4.55 2eovA14 CYS 34 HB2 -0.14 -0.03 0.05 -0.04 2.97 2.82 2eovA14 CYS 34 HB3 -0.35 0.10 0.13 -0.04 2.97 2.81 2eovA14 HIS 35 H -0.02 0.37 -0.66 -0.55 8.41 7.54 2eovA14 HIS 35 HA -0.06 0.16 0.83 -0.75 4.63 4.81 2eovA14 HIS 35 HB2 -0.06 0.24 0.19 -0.04 3.26 3.59 2eovA14 HIS 35 HB3 -0.03 -0.09 0.25 -0.04 3.20 3.28 2eovA14 HIS 35 HD2 -0.16 -0.01 -0.09 -0.04 6.97 6.67 2eovA14 HIS 35 HE1 0.03 -0.01 -0.06 -0.04 7.75 7.66 2eovA14 THR 36 H -0.01 0.24 -0.12 -0.55 8.28 7.84 2eovA14 THR 36 HA 0.02 0.13 0.88 -0.75 4.39 4.67 2eovA14 THR 36 HB -0.00 -0.05 0.03 -0.04 4.32 4.25 2eovA14 THR 36 HG23 0.01 -0.01 -0.15 -0.04 1.22 1.03 2eovA14 GLY 37 H -0.00 0.08 0.13 -0.55 8.43 8.09 2eovA14 GLY 37 HA2 -0.01 -0.01 0.35 -0.51 4.01 3.84 2eovA14 GLY 37 HA3 -0.01 0.24 0.78 -0.51 4.01 4.50 2eovA14 GLU 38 H -0.02 0.28 0.16 -0.55 8.60 8.48 2eovA14 GLU 38 HA -0.08 0.20 0.92 -0.75 4.29 4.57 2eovA14 GLU 38 HB2 -0.01 0.06 0.09 -0.04 2.09 2.18 2eovA14 GLU 38 HB3 -0.08 -0.18 -0.02 -0.04 1.99 1.67 2eovA14 GLU 38 HG2 -0.06 0.04 0.03 -0.04 2.34 2.31 2eovA14 GLU 38 HG3 -0.02 0.01 -0.22 -0.04 2.34 2.07 2eovA14 ARG 39 H -0.20 0.16 0.09 -0.55 8.46 7.95 2eovA14 ARG 39 HA -0.05 0.14 0.33 -0.75 4.34 4.00 2eovA14 ARG 39 HB2 -0.24 -0.07 0.11 -0.04 1.90 1.65 2eovA14 ARG 39 HB3 -0.05 0.06 -0.03 -0.04 1.80 1.74 2eovA14 ARG 39 HG2 -0.04 0.05 -0.02 -0.04 1.67 1.62 2eovA14 ARG 39 HG3 -0.08 -0.01 0.02 -0.04 1.67 1.55 2eovA14 ARG 39 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.12 2eovA14 ARG 39 HD3 -0.02 0.01 -0.00 -0.04 3.22 3.17 2eovA14 HIS 40 H -0.47 0.01 -0.11 -0.55 8.41 7.30 2eovA14 HIS 40 HA 0.00 0.07 0.33 -0.75 4.63 4.28 2eovA14 HIS 40 HB2 0.00 -0.07 0.05 -0.04 3.26 3.21 2eovA14 HIS 40 HB3 0.00 0.03 -0.00 -0.04 3.20 3.19 2eovA14 HIS 40 HD2 0.01 0.04 -0.03 -0.04 6.97 6.94 2eovA14 HIS 40 HE1 0.01 0.03 0.02 -0.04 7.75 7.76 2eovA14 SER 41 H 0.07 -0.01 -0.28 -0.55 8.46 7.69 2eovA14 SER 41 HA 0.04 0.12 0.67 -0.75 4.49 4.57 2eovA14 SER 41 HB2 0.03 -0.04 0.17 -0.04 3.95 4.06 2eovA14 SER 41 HB3 0.02 0.04 0.05 -0.04 3.93 4.00 2eovA14 GLY 42 H 0.02 0.25 -0.01 -0.55 8.43 8.14 2eovA14 GLY 42 HA2 0.00 0.13 0.71 -0.51 4.01 4.34 2eovA14 GLY 42 HA3 0.00 0.09 0.25 -0.51 4.01 3.84 2eovA14 PRO 43 HA 0.00 0.08 0.47 -0.51 4.44 4.48 2eovA14 PRO 43 HB2 -0.00 0.03 0.01 -0.04 2.28 2.28 2eovA14 PRO 43 HB3 -0.00 0.02 0.11 -0.04 2.02 2.11 2eovA14 PRO 43 HG2 -0.00 0.00 0.15 -0.04 2.03 2.14 2eovA14 PRO 43 HG3 -0.01 0.06 0.10 -0.04 2.03 2.14 2eovA14 PRO 43 HD2 -0.00 0.19 0.19 -0.04 3.68 4.02 2eovA14 PRO 43 HD3 -0.00 0.14 0.18 -0.04 3.65 3.92 2eovA14 SER 44 H 0.00 0.22 -0.02 -0.55 8.46 8.11 2eovA14 SER 44 HA 0.01 0.11 0.84 -0.75 4.49 4.69 2eovA14 SER 44 HB2 0.01 0.02 -0.04 -0.04 3.95 3.89 2eovA14 SER 44 HB3 0.00 0.04 -0.11 -0.04 3.93 3.83 2eovA14 SER 45 H 0.01 0.03 0.07 -0.55 8.46 8.03 2eovA14 SER 45 HA 0.02 0.23 0.91 -0.75 4.49 4.90 2eovA14 SER 45 HB2 0.03 0.15 -0.07 -0.04 3.95 4.03 2eovA14 SER 45 HB3 0.03 -0.13 0.11 -0.04 3.93 3.90 2eovA14 GLY 46 H 0.01 0.06 0.09 -0.55 8.43 8.05 2eovA14 GLY 46 HA2 0.01 0.07 0.15 -0.51 4.01 3.73 2eovA14 GLY 46 HA3 0.01 0.22 0.50 -0.51 4.01 4.23