============================================================================= 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 -0.298 -8.128 0.527 -99.200 -91.000 PHE 22 1.000 -1.440 -0.743 -3.602 -99.200 -91.000 TRP 24 1.040 2.497 -9.435 -6.379 -99.200 -91.000 TRP6 24 1.020 4.336 -10.914 -6.374 -99.200 -91.000 HIS 31 0.900 -0.361 3.644 -2.426 -99.200 -91.000 HIS 35 0.900 -0.755 7.696 0.130 -99.200 -91.000 HIS 40 0.900 -5.567 14.923 -8.859 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA15 GLY 1 HA2 -0.00 -0.10 0.20 -0.51 4.01 3.61 2eovA15 GLY 1 HA3 -0.00 -0.03 0.15 -0.51 4.01 3.62 2eovA15 SER 2 H -0.00 0.16 0.05 -0.55 8.46 8.12 2eovA15 SER 2 HA -0.00 0.13 0.74 -0.75 4.49 4.60 2eovA15 SER 2 HB2 -0.00 0.01 0.00 -0.04 3.95 3.92 2eovA15 SER 2 HB3 -0.00 0.08 -0.23 -0.04 3.93 3.74 2eovA15 SER 3 H -0.00 0.28 0.04 -0.55 8.46 8.23 2eovA15 SER 3 HA -0.00 0.07 0.75 -0.75 4.49 4.55 2eovA15 SER 3 HB2 -0.00 0.06 -0.11 -0.04 3.95 3.86 2eovA15 SER 3 HB3 -0.00 0.01 0.05 -0.04 3.93 3.94 2eovA15 GLY 4 H -0.00 0.11 -0.01 -0.55 8.43 7.99 2eovA15 GLY 4 HA2 -0.00 -0.05 0.36 -0.51 4.01 3.82 2eovA15 GLY 4 HA3 -0.00 0.26 0.92 -0.51 4.01 4.68 2eovA15 SER 5 H -0.00 0.15 0.04 -0.55 8.46 8.11 2eovA15 SER 5 HA -0.00 0.25 0.89 -0.75 4.49 4.87 2eovA15 SER 5 HB2 -0.00 -0.02 0.18 -0.04 3.95 4.07 2eovA15 SER 5 HB3 -0.00 0.02 0.07 -0.04 3.93 3.98 2eovA15 SER 6 H -0.00 0.33 -0.15 -0.55 8.46 8.10 2eovA15 SER 6 HA -0.00 0.11 0.89 -0.75 4.49 4.73 2eovA15 SER 6 HB2 -0.00 0.05 0.09 -0.04 3.95 4.05 2eovA15 SER 6 HB3 -0.00 0.01 0.03 -0.04 3.93 3.93 2eovA15 GLY 7 H -0.00 0.13 -0.03 -0.55 8.43 7.98 2eovA15 GLY 7 HA2 -0.00 0.14 0.38 -0.51 4.01 4.03 2eovA15 GLY 7 HA3 -0.00 0.08 0.34 -0.51 4.01 3.92 2eovA15 THR 8 H -0.00 0.14 0.08 -0.55 8.28 7.95 2eovA15 THR 8 HA -0.00 0.11 0.73 -0.75 4.39 4.47 2eovA15 THR 8 HB -0.00 0.03 0.18 -0.04 4.32 4.48 2eovA15 THR 8 HG23 -0.00 -0.00 -0.05 -0.04 1.22 1.12 2eovA15 GLY 9 H -0.00 0.20 0.05 -0.55 8.43 8.13 2eovA15 GLY 9 HA2 -0.01 0.12 0.50 -0.51 4.01 4.11 2eovA15 GLY 9 HA3 -0.00 0.07 0.28 -0.51 4.01 3.85 2eovA15 GLU 10 H 0.00 0.13 -0.00 -0.55 8.60 8.18 2eovA15 GLU 10 HA -0.00 0.13 0.57 -0.75 4.29 4.23 2eovA15 GLU 10 HB2 0.00 -0.00 0.21 -0.04 2.09 2.25 2eovA15 GLU 10 HB3 -0.01 0.04 0.08 -0.04 1.99 2.06 2eovA15 GLU 10 HG2 -0.01 0.06 0.02 -0.04 2.34 2.37 2eovA15 GLU 10 HG3 -0.00 -0.13 0.05 -0.04 2.34 2.21 2eovA15 LYS 11 H 0.01 0.45 0.23 -0.55 8.42 8.56 2eovA15 LYS 11 HA 0.03 0.17 0.83 -0.75 4.32 4.60 2eovA15 LYS 11 HB2 0.06 0.01 -0.02 -0.04 1.87 1.88 2eovA15 LYS 11 HB3 0.14 0.27 0.08 -0.04 1.79 2.24 2eovA15 LYS 11 HG2 0.06 -0.06 -0.45 -0.04 1.46 0.97 2eovA15 LYS 11 HG3 0.05 0.09 -0.14 -0.04 1.46 1.43 2eovA15 LYS 11 HD2 0.01 -0.23 -1.04 -0.04 1.69 0.39 2eovA15 LYS 11 HD3 0.00 0.01 -0.29 -0.04 1.68 1.36 2eovA15 LYS 11 HE2 -0.02 0.04 -0.14 -0.04 2.99 2.83 2eovA15 LYS 11 HE3 0.02 0.03 -0.16 -0.04 2.99 2.84 2eovA15 PRO 12 HA -0.18 0.07 0.41 -0.51 4.44 4.23 2eovA15 PRO 12 HB2 -0.71 -0.02 0.09 -0.04 2.28 1.59 2eovA15 PRO 12 HB3 -0.21 0.00 0.12 -0.04 2.02 1.89 2eovA15 PRO 12 HG2 0.06 0.11 0.03 -0.04 2.03 2.20 2eovA15 PRO 12 HG3 -0.05 0.00 0.11 -0.04 2.03 2.06 2eovA15 PRO 12 HD2 0.11 0.17 0.32 -0.04 3.68 4.23 2eovA15 PRO 12 HD3 -0.01 0.11 0.17 -0.04 3.65 3.87 2eovA15 TYR 13 H 0.11 0.17 -0.73 -0.55 8.29 7.28 2eovA15 TYR 13 HA 0.06 0.15 0.79 -0.75 4.56 4.80 2eovA15 TYR 13 HB2 0.17 0.04 -0.19 -0.04 3.06 3.04 2eovA15 TYR 13 HB3 0.10 -0.06 -0.08 -0.04 2.98 2.90 2eovA15 TYR 13 HD2 0.05 0.07 -0.25 -0.04 7.15 6.98 2eovA15 TYR 13 HE2 -0.04 0.10 -0.00 -0.04 6.85 6.87 2eovA15 LYS 14 H 0.19 0.23 0.11 -0.55 8.42 8.39 2eovA15 LYS 14 HA 0.23 0.23 0.85 -0.75 4.32 4.87 2eovA15 LYS 14 HB2 0.09 0.12 -0.22 -0.04 1.87 1.81 2eovA15 LYS 14 HB3 0.08 -0.03 -0.04 -0.04 1.79 1.76 2eovA15 LYS 14 HG2 0.09 0.08 -0.26 -0.04 1.46 1.33 2eovA15 LYS 14 HG3 0.09 -0.01 -0.15 -0.04 1.46 1.34 2eovA15 LYS 14 HD2 0.04 0.04 -0.08 -0.04 1.69 1.65 2eovA15 LYS 14 HD3 0.04 -0.02 -0.11 -0.04 1.68 1.55 2eovA15 LYS 14 HE2 0.04 -0.02 -0.16 -0.04 2.99 2.80 2eovA15 LYS 14 HE3 0.02 0.01 -0.08 -0.04 2.99 2.90 2eovA15 CYS 15 H 0.26 0.74 0.34 -0.55 8.50 9.29 2eovA15 CYS 15 HA 0.17 0.10 0.59 -0.75 4.58 4.70 2eovA15 CYS 15 HB2 0.44 0.12 0.15 -0.04 2.97 3.63 2eovA15 CYS 15 HB3 0.32 -0.37 0.31 -0.04 2.97 3.19 2eovA15 SER 16 H 0.09 0.20 0.16 -0.55 8.46 8.35 2eovA15 SER 16 HA 0.05 0.23 0.72 -0.75 4.49 4.73 2eovA15 SER 16 HB2 0.03 -0.02 0.16 -0.04 3.95 4.08 2eovA15 SER 16 HB3 0.02 0.04 0.21 -0.04 3.93 4.16 2eovA15 ASP 17 H 0.06 -0.15 -0.50 -0.55 8.40 7.26 2eovA15 ASP 17 HA -0.05 0.27 0.84 -0.75 4.63 4.93 2eovA15 ASP 17 HB2 -0.14 -0.14 0.00 -0.04 2.71 2.40 2eovA15 ASP 17 HB3 -0.39 0.09 -0.06 -0.04 2.70 2.30 2eovA15 CYS 18 H 0.07 -0.21 0.06 -0.55 8.50 7.87 2eovA15 CYS 18 HA 0.02 0.29 0.92 -0.75 4.58 5.05 2eovA15 CYS 18 HB2 0.18 0.06 -0.05 -0.04 2.97 3.12 2eovA15 CYS 18 HB3 0.17 0.06 -0.08 -0.04 2.97 3.09 2eovA15 GLY 19 H 0.16 -0.21 0.14 -0.55 8.43 7.97 2eovA15 GLY 19 HA2 0.07 0.16 0.32 -0.51 4.01 4.05 2eovA15 GLY 19 HA3 0.05 0.28 0.95 -0.51 4.01 4.78 2eovA15 LYS 20 H 0.18 -0.04 0.26 -0.55 8.42 8.26 2eovA15 LYS 20 HA -0.06 0.28 0.97 -0.75 4.32 4.75 2eovA15 LYS 20 HB2 0.16 -0.12 0.08 -0.04 1.87 1.95 2eovA15 LYS 20 HB3 -0.46 0.05 -0.10 -0.04 1.79 1.23 2eovA15 LYS 20 HG2 -0.13 0.08 -0.01 -0.04 1.46 1.35 2eovA15 LYS 20 HG3 0.06 -0.02 -0.24 -0.04 1.46 1.23 2eovA15 LYS 20 HD2 0.01 -0.01 -0.08 -0.04 1.69 1.57 2eovA15 LYS 20 HD3 -0.34 -0.01 -0.07 -0.04 1.68 1.22 2eovA15 LYS 20 HE2 0.00 0.01 -0.05 -0.04 2.99 2.91 2eovA15 LYS 20 HE3 -0.06 0.03 -0.04 -0.04 2.99 2.87 2eovA15 SER 21 H -0.20 0.23 0.15 -0.55 8.46 8.09 2eovA15 SER 21 HA 0.12 0.24 1.07 -0.75 4.49 5.16 2eovA15 SER 21 HB2 -0.06 -0.04 0.11 -0.04 3.95 3.92 2eovA15 SER 21 HB3 0.03 0.10 0.02 -0.04 3.93 4.04 2eovA15 PHE 22 H 0.39 0.37 0.04 -0.55 8.34 8.59 2eovA15 PHE 22 HA 0.05 0.20 0.89 -0.75 4.62 5.01 2eovA15 PHE 22 HB2 0.06 0.04 -0.10 -0.04 3.15 3.11 2eovA15 PHE 22 HB3 0.04 -0.15 0.06 -0.04 3.06 2.96 2eovA15 PHE 22 HD2 0.00 -0.01 -0.21 -0.04 7.28 7.02 2eovA15 PHE 22 HE2 -0.19 -0.00 -0.14 -0.04 7.38 7.01 2eovA15 PHE 22 HZ -1.30 0.05 -0.11 -0.04 7.32 5.92 2eovA15 THR 23 H 0.30 0.06 0.16 -0.55 8.28 8.25 2eovA15 THR 23 HA 0.23 0.22 0.79 -0.75 4.39 4.87 2eovA15 THR 23 HB 0.45 -0.07 0.11 -0.04 4.32 4.77 2eovA15 THR 23 HG23 0.04 0.01 -0.02 -0.04 1.22 1.21 2eovA15 TRP 24 H 0.40 -0.01 0.11 -0.55 7.97 7.92 2eovA15 TRP 24 HA -0.16 0.27 0.84 -0.75 4.62 4.82 2eovA15 TRP 24 HB2 -0.08 -0.05 0.09 -0.04 3.23 3.16 2eovA15 TRP 24 HB3 -0.12 -0.09 0.08 -0.04 3.23 3.05 2eovA15 TRP 24 HD1 0.02 -0.11 -0.04 -0.04 7.22 7.05 2eovA15 TRP 24 HE1 0.02 0.05 -0.02 -0.04 10.20 10.21 2eovA15 TRP 24 HE3 -0.03 -0.11 0.05 -0.04 7.59 7.46 2eovA15 TRP 24 HZ2 0.01 0.04 -0.00 -0.04 7.44 7.45 2eovA15 TRP 24 HZ3 -0.00 0.02 0.02 -0.04 7.13 7.13 2eovA15 TRP 24 HH2 0.01 0.03 0.01 -0.04 7.19 7.20 2eovA15 LYS 25 H -0.33 0.21 0.14 -0.55 8.42 7.89 2eovA15 LYS 25 HA -1.02 0.16 0.43 -0.75 4.32 3.13 2eovA15 LYS 25 HB2 -0.04 0.09 0.11 -0.04 1.87 1.99 2eovA15 LYS 25 HB3 -0.04 -0.03 0.10 -0.04 1.79 1.78 2eovA15 LYS 25 HG2 0.22 0.03 0.04 -0.04 1.46 1.71 2eovA15 LYS 25 HG3 0.21 0.07 0.01 -0.04 1.46 1.70 2eovA15 LYS 25 HD2 0.01 -0.01 -0.23 -0.04 1.69 1.42 2eovA15 LYS 25 HD3 -0.02 -0.10 -0.15 -0.04 1.68 1.37 2eovA15 LYS 25 HE2 0.03 -0.00 -0.04 -0.04 2.99 2.94 2eovA15 LYS 25 HE3 0.09 0.04 -0.01 -0.04 2.99 3.07 2eovA15 SER 26 H 0.02 0.10 0.00 -0.55 8.46 8.04 2eovA15 SER 26 HA -0.03 0.12 0.35 -0.75 4.49 4.18 2eovA15 SER 26 HB2 0.05 -0.06 0.08 -0.04 3.95 3.98 2eovA15 SER 26 HB3 -0.02 0.08 -0.02 -0.04 3.93 3.94 2eovA15 ARG 27 H -0.01 0.03 -0.35 -0.55 8.46 7.57 2eovA15 ARG 27 HA -0.08 0.08 0.29 -0.75 4.34 3.88 2eovA15 ARG 27 HB2 0.03 0.07 0.01 -0.04 1.90 1.98 2eovA15 ARG 27 HB3 0.07 0.07 -0.03 -0.04 1.80 1.88 2eovA15 ARG 27 HG2 -0.02 -0.11 0.02 -0.04 1.67 1.52 2eovA15 ARG 27 HG3 0.07 -0.05 0.05 -0.04 1.67 1.70 2eovA15 ARG 27 HD2 -0.08 0.01 -0.01 -0.04 3.22 3.09 2eovA15 ARG 27 HD3 -0.21 0.03 -0.00 -0.04 3.22 3.00 2eovA15 LEU 28 H -0.28 0.28 -0.38 -0.55 8.37 7.44 2eovA15 LEU 28 HA -1.02 0.00 0.29 -0.75 4.35 2.87 2eovA15 LEU 28 HB2 -0.25 -0.02 0.02 -0.04 1.64 1.35 2eovA15 LEU 28 HB3 -0.17 0.24 0.14 -0.04 1.64 1.81 2eovA15 LEU 28 HG -0.05 0.01 -0.29 -0.04 1.64 1.26 2eovA15 LEU 28 HD13 -0.05 -0.03 -0.13 -0.04 0.93 0.68 2eovA15 LEU 28 HD23 0.12 0.00 -0.05 -0.04 0.89 0.92 2eovA15 ARG 29 H -0.13 0.42 -0.16 -0.55 8.46 8.04 2eovA15 ARG 29 HA -0.04 0.01 0.40 -0.75 4.34 3.94 2eovA15 ARG 29 HB2 -0.05 0.17 0.21 -0.04 1.90 2.19 2eovA15 ARG 29 HB3 -0.03 -0.01 -0.00 -0.04 1.80 1.72 2eovA15 ARG 29 HG2 -0.01 -0.01 0.04 -0.04 1.67 1.65 2eovA15 ARG 29 HG3 -0.03 0.06 0.03 -0.04 1.67 1.69 2eovA15 ARG 29 HD2 0.00 -0.01 -0.02 -0.04 3.22 3.16 2eovA15 ARG 29 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 2eovA15 ILE 30 H -0.08 0.51 -0.08 -0.55 8.25 8.05 2eovA15 ILE 30 HA -0.04 0.01 0.36 -0.75 4.18 3.75 2eovA15 ILE 30 HB -0.05 0.10 0.08 -0.04 1.89 1.98 2eovA15 ILE 30 HG12 -0.04 -0.01 0.01 -0.04 1.49 1.41 2eovA15 ILE 30 HG13 -0.05 0.01 0.04 -0.04 1.21 1.18 2eovA15 ILE 30 HG23 -0.02 -0.01 -0.05 -0.04 0.93 0.81 2eovA15 ILE 30 HD13 -0.05 -0.04 -0.11 -0.04 0.88 0.64 2eovA15 HIS 31 H -0.08 0.43 -0.43 -0.55 8.41 7.78 2eovA15 HIS 31 HA -0.08 0.05 0.49 -0.75 4.63 4.33 2eovA15 HIS 31 HB2 -0.09 -0.05 0.01 -0.04 3.26 3.09 2eovA15 HIS 31 HB3 -0.50 0.11 0.15 -0.04 3.20 2.92 2eovA15 HIS 31 HD2 0.02 -0.02 -0.09 -0.04 6.97 6.83 2eovA15 HIS 31 HE1 0.02 0.03 -0.08 -0.04 7.75 7.67 2eovA15 GLN 32 H -0.08 0.61 0.00 -0.55 8.47 8.46 2eovA15 GLN 32 HA -0.02 -0.06 0.35 -0.75 4.36 3.88 2eovA15 GLN 32 HB2 -0.03 0.25 0.28 -0.04 2.15 2.61 2eovA15 GLN 32 HB3 0.00 -0.01 0.00 -0.04 2.02 1.97 2eovA15 GLN 32 HG2 0.04 0.01 0.03 -0.04 2.40 2.44 2eovA15 GLN 32 HG3 0.01 -0.04 -0.00 -0.04 2.39 2.31 2eovA15 GLN 32 HE21 0.06 -0.01 0.00 -0.04 6.97 6.99 2eovA15 GLN 32 HE22 0.05 -0.01 -0.01 -0.04 7.69 7.67 2eovA15 LYS 33 H -0.06 0.35 -0.10 -0.55 8.42 8.06 2eovA15 LYS 33 HA -0.02 0.04 0.30 -0.75 4.32 3.89 2eovA15 LYS 33 HB2 -0.02 -0.02 0.02 -0.04 1.87 1.80 2eovA15 LYS 33 HB3 -0.03 -0.02 0.08 -0.04 1.79 1.78 2eovA15 LYS 33 HG2 -0.06 0.14 -0.00 -0.04 1.46 1.50 2eovA15 LYS 33 HG3 -0.04 -0.03 -0.20 -0.04 1.46 1.15 2eovA15 LYS 33 HD2 -0.03 -0.03 -0.00 -0.04 1.69 1.59 2eovA15 LYS 33 HD3 -0.03 0.01 0.06 -0.04 1.68 1.68 2eovA15 LYS 33 HE2 -0.02 -0.00 -0.03 -0.04 2.99 2.90 2eovA15 LYS 33 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2eovA15 CYS 34 H -0.14 0.21 -0.58 -0.55 8.50 7.44 2eovA15 CYS 34 HA -0.08 -0.04 0.33 -0.75 4.58 4.04 2eovA15 CYS 34 HB2 -0.11 0.03 0.22 -0.04 2.97 3.07 2eovA15 CYS 34 HB3 -0.37 0.14 0.07 -0.04 2.97 2.77 2eovA15 HIS 35 H -0.14 0.47 -0.88 -0.55 8.41 7.32 2eovA15 HIS 35 HA -0.04 0.01 0.45 -0.75 4.63 4.30 2eovA15 HIS 35 HB2 -0.09 0.21 0.19 -0.04 3.26 3.53 2eovA15 HIS 35 HB3 -0.04 -0.09 0.18 -0.04 3.20 3.21 2eovA15 HIS 35 HD2 -0.24 0.02 0.08 -0.04 6.97 6.78 2eovA15 HIS 35 HE1 0.11 -0.05 -0.09 -0.04 7.75 7.68 2eovA15 THR 36 H -0.01 0.66 -0.45 -0.55 8.28 7.93 2eovA15 THR 36 HA 0.03 0.09 0.86 -0.75 4.39 4.61 2eovA15 THR 36 HB 0.01 0.07 -0.11 -0.04 4.32 4.25 2eovA15 THR 36 HG23 -0.01 0.04 -0.06 -0.04 1.22 1.15 2eovA15 GLY 37 H 0.02 0.10 0.12 -0.55 8.43 8.12 2eovA15 GLY 37 HA2 0.01 -0.02 0.32 -0.51 4.01 3.81 2eovA15 GLY 37 HA3 0.01 0.11 0.69 -0.51 4.01 4.31 2eovA15 GLU 38 H 0.01 0.09 0.17 -0.55 8.60 8.32 2eovA15 GLU 38 HA 0.03 0.01 0.44 -0.75 4.29 4.01 2eovA15 GLU 38 HB2 0.02 -0.03 0.14 -0.04 2.09 2.17 2eovA15 GLU 38 HB3 0.02 0.02 0.08 -0.04 1.99 2.07 2eovA15 GLU 38 HG2 0.02 -0.02 -0.05 -0.04 2.34 2.25 2eovA15 GLU 38 HG3 0.05 0.07 -0.17 -0.04 2.34 2.24 2eovA15 ARG 39 H 0.05 0.13 0.19 -0.55 8.46 8.28 2eovA15 ARG 39 HA 0.08 0.18 0.88 -0.75 4.34 4.73 2eovA15 ARG 39 HB2 0.05 0.11 -0.03 -0.04 1.90 1.99 2eovA15 ARG 39 HB3 0.04 -0.01 0.18 -0.04 1.80 1.97 2eovA15 ARG 39 HG2 0.05 -0.13 -0.11 -0.04 1.67 1.44 2eovA15 ARG 39 HG3 0.09 0.00 -0.02 -0.04 1.67 1.70 2eovA15 ARG 39 HD2 0.04 -0.03 -0.06 -0.04 3.22 3.13 2eovA15 ARG 39 HD3 0.04 0.04 -0.04 -0.04 3.22 3.22 2eovA15 HIS 40 H 0.14 0.22 0.04 -0.55 8.41 8.27 2eovA15 HIS 40 HA 0.02 0.21 0.81 -0.75 4.63 4.91 2eovA15 HIS 40 HB2 0.02 -0.00 -0.02 -0.04 3.26 3.22 2eovA15 HIS 40 HB3 0.03 0.01 0.12 -0.04 3.20 3.31 2eovA15 HIS 40 HD2 0.02 -0.01 0.07 -0.04 6.97 7.00 2eovA15 HIS 40 HE1 0.01 -0.01 -0.01 -0.04 7.75 7.70 2eovA15 SER 41 H 0.01 0.27 -0.40 -0.55 8.46 7.79 2eovA15 SER 41 HA -0.12 0.16 0.67 -0.75 4.49 4.45 2eovA15 SER 41 HB2 0.03 0.04 -0.22 -0.04 3.95 3.76 2eovA15 SER 41 HB3 0.04 -0.00 -0.09 -0.04 3.93 3.84 2eovA15 GLY 42 H -0.03 0.16 -0.01 -0.55 8.43 8.00 2eovA15 GLY 42 HA2 -0.01 0.11 0.59 -0.51 4.01 4.19 2eovA15 GLY 42 HA3 -0.02 0.06 0.35 -0.51 4.01 3.89 2eovA15 PRO 43 HA -0.00 0.10 0.41 -0.51 4.44 4.44 2eovA15 PRO 43 HB2 0.00 0.02 0.09 -0.04 2.28 2.34 2eovA15 PRO 43 HB3 0.01 0.06 0.13 -0.04 2.02 2.18 2eovA15 PRO 43 HG2 -0.00 0.02 -0.02 -0.04 2.03 1.98 2eovA15 PRO 43 HG3 -0.00 0.11 0.06 -0.04 2.03 2.16 2eovA15 PRO 43 HD2 -0.00 0.13 0.09 -0.04 3.68 3.85 2eovA15 PRO 43 HD3 0.00 0.06 0.02 -0.04 3.65 3.70 2eovA15 SER 44 H -0.01 -0.05 -0.84 -0.55 8.46 7.02 2eovA15 SER 44 HA -0.00 0.11 0.66 -0.75 4.49 4.51 2eovA15 SER 44 HB2 -0.00 0.04 -0.04 -0.04 3.95 3.90 2eovA15 SER 44 HB3 -0.00 -0.06 0.09 -0.04 3.93 3.91 2eovA15 SER 45 H -0.00 0.08 0.13 -0.55 8.46 8.12 2eovA15 SER 45 HA -0.00 0.01 0.32 -0.75 4.49 4.06 2eovA15 SER 45 HB2 -0.00 -0.10 -0.18 -0.04 3.95 3.63 2eovA15 SER 45 HB3 -0.00 0.28 0.28 -0.04 3.93 4.44 2eovA15 GLY 46 H -0.00 -0.04 -0.11 -0.55 8.43 7.73 2eovA15 GLY 46 HA2 -0.00 0.24 0.41 -0.51 4.01 4.14 2eovA15 GLY 46 HA3 -0.00 0.07 0.12 -0.51 4.01 3.68