============================================================================= 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 -0.588 -7.948 0.825 -99.200 -91.000 PHE 22 1.000 -1.166 -0.815 -2.679 -99.200 -91.000 TRP 24 1.040 2.688 -10.207 -6.277 -99.200 -91.000 TRP6 24 1.020 3.859 -12.039 -5.361 -99.200 -91.000 HIS 31 0.900 -0.570 4.313 -1.956 -99.200 -91.000 HIS 35 0.900 -0.880 7.860 1.444 -99.200 -91.000 HIS 40 0.900 -0.733 16.201 -4.984 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA6 GLY 1 HA2 0.00 -0.03 0.11 -0.51 4.01 3.58 2eovA6 GLY 1 HA3 0.00 -0.02 0.20 -0.51 4.01 3.68 2eovA6 SER 2 H 0.00 0.25 -0.00 -0.55 8.46 8.16 2eovA6 SER 2 HA 0.00 0.09 0.86 -0.75 4.49 4.69 2eovA6 SER 2 HB2 0.00 0.01 0.13 -0.04 3.95 4.05 2eovA6 SER 2 HB3 0.00 -0.02 -0.00 -0.04 3.93 3.88 2eovA6 SER 3 H 0.00 0.07 -0.01 -0.55 8.46 7.98 2eovA6 SER 3 HA 0.01 0.23 0.93 -0.75 4.49 4.90 2eovA6 SER 3 HB2 0.01 0.00 -0.12 -0.04 3.95 3.80 2eovA6 SER 3 HB3 0.01 -0.03 0.10 -0.04 3.93 3.96 2eovA6 GLY 4 H 0.00 0.11 0.10 -0.55 8.43 8.10 2eovA6 GLY 4 HA2 0.00 -0.03 0.33 -0.51 4.01 3.79 2eovA6 GLY 4 HA3 0.00 0.20 0.45 -0.51 4.01 4.15 2eovA6 SER 5 H -0.00 0.05 0.10 -0.55 8.46 8.06 2eovA6 SER 5 HA 0.00 0.25 0.98 -0.75 4.49 4.97 2eovA6 SER 5 HB2 -0.00 0.04 0.03 -0.04 3.95 3.98 2eovA6 SER 5 HB3 -0.00 0.01 -0.02 -0.04 3.93 3.89 2eovA6 SER 6 H -0.00 0.05 0.07 -0.55 8.46 8.03 2eovA6 SER 6 HA -0.00 0.11 0.49 -0.75 4.49 4.33 2eovA6 SER 6 HB2 -0.00 -0.05 -0.06 -0.04 3.95 3.79 2eovA6 SER 6 HB3 -0.00 -0.03 -0.01 -0.04 3.93 3.85 2eovA6 GLY 7 H -0.00 0.27 -0.03 -0.55 8.43 8.12 2eovA6 GLY 7 HA2 -0.01 0.05 0.68 -0.51 4.01 4.22 2eovA6 GLY 7 HA3 -0.01 0.07 0.29 -0.51 4.01 3.85 2eovA6 THR 8 H -0.01 0.10 0.05 -0.55 8.28 7.87 2eovA6 THR 8 HA -0.00 0.12 0.46 -0.75 4.39 4.22 2eovA6 THR 8 HB -0.01 0.11 -0.04 -0.04 4.32 4.34 2eovA6 THR 8 HG23 -0.01 0.00 -0.01 -0.04 1.22 1.17 2eovA6 GLY 9 H -0.01 -0.07 -0.07 -0.55 8.43 7.73 2eovA6 GLY 9 HA2 -0.01 -0.11 0.27 -0.51 4.01 3.65 2eovA6 GLY 9 HA3 -0.01 0.34 0.82 -0.51 4.01 4.65 2eovA6 GLU 10 H -0.02 0.03 0.10 -0.55 8.60 8.16 2eovA6 GLU 10 HA -0.03 0.09 0.40 -0.75 4.29 3.99 2eovA6 GLU 10 HB2 -0.02 -0.11 0.19 -0.04 2.09 2.10 2eovA6 GLU 10 HB3 -0.03 0.04 0.01 -0.04 1.99 1.97 2eovA6 GLU 10 HG2 -0.02 -0.06 0.09 -0.04 2.34 2.31 2eovA6 GLU 10 HG3 -0.02 0.02 0.04 -0.04 2.34 2.34 2eovA6 LYS 11 H -0.02 -0.05 0.01 -0.55 8.42 7.81 2eovA6 LYS 11 HA -0.05 0.03 0.36 -0.75 4.32 3.91 2eovA6 LYS 11 HB2 0.09 0.21 0.10 -0.04 1.87 2.22 2eovA6 LYS 11 HB3 0.01 -0.10 0.06 -0.04 1.79 1.72 2eovA6 LYS 11 HG2 0.04 0.10 -0.12 -0.04 1.46 1.45 2eovA6 LYS 11 HG3 0.08 -0.16 0.13 -0.04 1.46 1.46 2eovA6 LYS 11 HD2 -0.01 -0.22 -0.09 -0.04 1.69 1.33 2eovA6 LYS 11 HD3 -0.01 0.09 0.00 -0.04 1.68 1.72 2eovA6 LYS 11 HE2 -0.02 -0.03 -0.09 -0.04 2.99 2.81 2eovA6 LYS 11 HE3 -0.01 -0.04 0.03 -0.04 2.99 2.92 2eovA6 PRO 12 HA -0.22 0.16 0.44 -0.51 4.44 4.31 2eovA6 PRO 12 HB2 -0.78 -0.03 0.11 -0.04 2.28 1.54 2eovA6 PRO 12 HB3 -0.30 0.02 0.16 -0.04 2.02 1.86 2eovA6 PRO 12 HG2 -0.78 0.04 0.03 -0.04 2.03 1.28 2eovA6 PRO 12 HG3 -0.28 -0.00 0.11 -0.04 2.03 1.82 2eovA6 PRO 12 HD2 -0.06 0.07 0.30 -0.04 3.68 3.95 2eovA6 PRO 12 HD3 -0.14 0.10 0.20 -0.04 3.65 3.77 2eovA6 TYR 13 H -0.01 0.08 -0.80 -0.55 8.29 7.01 2eovA6 TYR 13 HA 0.06 0.15 0.84 -0.75 4.56 4.85 2eovA6 TYR 13 HB2 0.19 0.13 0.01 -0.04 3.06 3.35 2eovA6 TYR 13 HB3 0.11 -0.09 -0.08 -0.04 2.98 2.88 2eovA6 TYR 13 HD2 0.03 0.12 -0.18 -0.04 7.15 7.08 2eovA6 TYR 13 HE2 -0.05 0.13 -0.05 -0.04 6.85 6.83 2eovA6 LYS 14 H 0.18 0.19 -0.02 -0.55 8.42 8.22 2eovA6 LYS 14 HA 0.18 0.10 0.70 -0.75 4.32 4.55 2eovA6 LYS 14 HB2 0.05 0.07 -0.15 -0.04 1.87 1.80 2eovA6 LYS 14 HB3 0.06 -0.03 -0.02 -0.04 1.79 1.76 2eovA6 LYS 14 HG2 0.05 -0.07 -0.30 -0.04 1.46 1.10 2eovA6 LYS 14 HG3 0.04 0.28 -0.07 -0.04 1.46 1.67 2eovA6 LYS 14 HD2 0.01 -0.12 0.01 -0.04 1.69 1.55 2eovA6 LYS 14 HD3 0.02 0.03 0.03 -0.04 1.68 1.71 2eovA6 LYS 14 HE2 0.02 -0.06 -0.03 -0.04 2.99 2.87 2eovA6 LYS 14 HE3 0.00 0.03 -0.07 -0.04 2.99 2.91 2eovA6 CYS 15 H 0.29 0.20 -0.14 -0.55 8.50 8.31 2eovA6 CYS 15 HA 0.17 0.02 0.42 -0.75 4.58 4.43 2eovA6 CYS 15 HB2 0.40 0.08 0.07 -0.04 2.97 3.48 2eovA6 CYS 15 HB3 0.20 -0.20 0.20 -0.04 2.97 3.13 2eovA6 SER 16 H 0.08 0.11 0.24 -0.55 8.46 8.34 2eovA6 SER 16 HA 0.05 0.27 0.56 -0.75 4.49 4.62 2eovA6 SER 16 HB2 0.04 0.11 0.09 -0.04 3.95 4.14 2eovA6 SER 16 HB3 0.02 -0.06 0.10 -0.04 3.93 3.96 2eovA6 ASP 17 H 0.04 -0.06 -0.03 -0.55 8.40 7.80 2eovA6 ASP 17 HA -0.04 0.00 0.44 -0.75 4.63 4.28 2eovA6 ASP 17 HB2 -0.25 -0.11 0.07 -0.04 2.71 2.38 2eovA6 ASP 17 HB3 -0.41 0.14 0.05 -0.04 2.70 2.45 2eovA6 CYS 18 H 0.20 -0.21 -0.21 -0.55 8.50 7.73 2eovA6 CYS 18 HA 0.13 0.32 0.88 -0.75 4.58 5.15 2eovA6 CYS 18 HB2 0.15 0.07 -0.03 -0.04 2.97 3.12 2eovA6 CYS 18 HB3 0.34 0.04 -0.06 -0.04 2.97 3.25 2eovA6 GLY 19 H 0.14 -0.33 0.05 -0.55 8.43 7.74 2eovA6 GLY 19 HA2 0.05 0.28 0.30 -0.51 4.01 4.13 2eovA6 GLY 19 HA3 0.03 0.21 0.89 -0.51 4.01 4.63 2eovA6 LYS 20 H 0.06 -0.28 0.17 -0.55 8.42 7.82 2eovA6 LYS 20 HA -0.17 0.17 0.45 -0.75 4.32 4.02 2eovA6 LYS 20 HB2 -0.18 -0.13 0.12 -0.04 1.87 1.64 2eovA6 LYS 20 HB3 -0.70 0.02 0.14 -0.04 1.79 1.21 2eovA6 LYS 20 HG2 -0.09 0.01 -0.01 -0.04 1.46 1.32 2eovA6 LYS 20 HG3 -0.64 0.00 0.03 -0.04 1.46 0.81 2eovA6 LYS 20 HD2 -0.28 0.01 0.04 -0.04 1.69 1.41 2eovA6 LYS 20 HD3 -0.27 0.01 0.08 -0.04 1.68 1.47 2eovA6 LYS 20 HE2 -0.07 0.03 -0.01 -0.04 2.99 2.90 2eovA6 LYS 20 HE3 -0.03 0.02 -0.05 -0.04 2.99 2.89 2eovA6 SER 21 H -0.66 0.21 0.21 -0.55 8.46 7.68 2eovA6 SER 21 HA -0.06 0.22 0.82 -0.75 4.49 4.71 2eovA6 SER 21 HB2 -0.08 -0.01 0.05 -0.04 3.95 3.87 2eovA6 SER 21 HB3 -0.09 0.15 -0.08 -0.04 3.93 3.87 2eovA6 PHE 22 H 0.21 0.61 0.14 -0.55 8.34 8.75 2eovA6 PHE 22 HA 0.05 0.10 0.70 -0.75 4.62 4.71 2eovA6 PHE 22 HB2 0.02 0.03 -0.12 -0.04 3.15 3.04 2eovA6 PHE 22 HB3 0.02 -0.07 0.05 -0.04 3.06 3.02 2eovA6 PHE 22 HD2 0.03 -0.00 -0.28 -0.04 7.28 6.98 2eovA6 PHE 22 HE2 -0.04 -0.04 -0.14 -0.04 7.38 7.12 2eovA6 PHE 22 HZ -0.67 -0.01 -0.02 -0.04 7.32 6.58 2eovA6 THR 23 H 0.21 0.11 0.16 -0.55 8.28 8.22 2eovA6 THR 23 HA 0.14 0.17 0.75 -0.75 4.39 4.69 2eovA6 THR 23 HB 0.14 -0.04 0.12 -0.04 4.32 4.50 2eovA6 THR 23 HG23 -0.17 0.01 0.02 -0.04 1.22 1.05 2eovA6 TRP 24 H 0.30 0.00 0.10 -0.55 7.97 7.83 2eovA6 TRP 24 HA 0.03 0.26 0.86 -0.75 4.62 5.01 2eovA6 TRP 24 HB2 0.00 -0.02 0.11 -0.04 3.23 3.28 2eovA6 TRP 24 HB3 -0.04 -0.07 -0.00 -0.04 3.23 3.07 2eovA6 TRP 24 HD1 0.04 -0.04 -0.01 -0.04 7.22 7.17 2eovA6 TRP 24 HE1 0.03 0.04 -0.02 -0.04 10.20 10.21 2eovA6 TRP 24 HE3 0.00 -0.13 0.08 -0.04 7.59 7.50 2eovA6 TRP 24 HZ2 0.02 0.03 0.00 -0.04 7.44 7.45 2eovA6 TRP 24 HZ3 0.02 0.02 0.03 -0.04 7.13 7.16 2eovA6 TRP 24 HH2 0.02 0.03 0.01 -0.04 7.19 7.22 2eovA6 LYS 25 H 0.06 0.22 0.12 -0.55 8.42 8.26 2eovA6 LYS 25 HA -0.87 0.13 0.30 -0.75 4.32 3.13 2eovA6 LYS 25 HB2 -0.03 0.09 0.14 -0.04 1.87 2.03 2eovA6 LYS 25 HB3 0.01 -0.10 0.15 -0.04 1.79 1.81 2eovA6 LYS 25 HG2 -0.05 0.00 -0.12 -0.04 1.46 1.25 2eovA6 LYS 25 HG3 -0.16 0.01 -0.00 -0.04 1.46 1.27 2eovA6 LYS 25 HD2 0.16 0.04 0.01 -0.04 1.69 1.86 2eovA6 LYS 25 HD3 0.07 -0.00 0.01 -0.04 1.68 1.72 2eovA6 LYS 25 HE2 0.03 0.00 -0.02 -0.04 2.99 2.96 2eovA6 LYS 25 HE3 0.05 -0.01 -0.02 -0.04 2.99 2.97 2eovA6 SER 26 H 0.04 0.13 -0.03 -0.55 8.46 8.06 2eovA6 SER 26 HA -0.05 0.09 0.30 -0.75 4.49 4.07 2eovA6 SER 26 HB2 -0.02 0.04 0.10 -0.04 3.95 4.03 2eovA6 SER 26 HB3 -0.03 -0.07 0.02 -0.04 3.93 3.82 2eovA6 ARG 27 H 0.04 0.01 -0.44 -0.55 8.46 7.52 2eovA6 ARG 27 HA 0.02 0.05 0.32 -0.75 4.34 3.98 2eovA6 ARG 27 HB2 0.16 0.16 0.12 -0.04 1.90 2.30 2eovA6 ARG 27 HB3 0.24 0.04 0.04 -0.04 1.80 2.08 2eovA6 ARG 27 HG2 0.16 -0.10 0.02 -0.04 1.67 1.71 2eovA6 ARG 27 HG3 0.26 -0.08 0.09 -0.04 1.67 1.89 2eovA6 ARG 27 HD2 0.10 0.05 0.04 -0.04 3.22 3.37 2eovA6 ARG 27 HD3 0.03 -0.00 0.00 -0.04 3.22 3.21 2eovA6 LEU 28 H -0.26 0.43 -0.11 -0.55 8.37 7.88 2eovA6 LEU 28 HA -1.91 -0.04 0.32 -0.75 4.35 1.97 2eovA6 LEU 28 HB2 -0.53 -0.03 0.02 -0.04 1.64 1.05 2eovA6 LEU 28 HB3 -0.38 0.21 0.14 -0.04 1.64 1.57 2eovA6 LEU 28 HG -0.25 0.02 -0.30 -0.04 1.64 1.06 2eovA6 LEU 28 HD13 -0.44 -0.04 -0.09 -0.04 0.93 0.33 2eovA6 LEU 28 HD23 0.00 0.00 -0.08 -0.04 0.89 0.77 2eovA6 ARG 29 H -0.20 0.42 -0.17 -0.55 8.46 7.95 2eovA6 ARG 29 HA -0.10 -0.04 0.34 -0.75 4.34 3.79 2eovA6 ARG 29 HB2 -0.08 0.23 0.14 -0.04 1.90 2.15 2eovA6 ARG 29 HB3 -0.05 -0.02 0.01 -0.04 1.80 1.69 2eovA6 ARG 29 HG2 -0.05 -0.00 0.02 -0.04 1.67 1.59 2eovA6 ARG 29 HG3 -0.09 -0.02 -0.03 -0.04 1.67 1.49 2eovA6 ARG 29 HD2 -0.05 -0.09 -0.09 -0.04 3.22 2.96 2eovA6 ARG 29 HD3 -0.04 0.02 -0.02 -0.04 3.22 3.15 2eovA6 ILE 30 H -0.10 0.51 -0.42 -0.55 8.25 7.68 2eovA6 ILE 30 HA -0.02 0.01 0.43 -0.75 4.18 3.85 2eovA6 ILE 30 HB 0.04 0.09 0.13 -0.04 1.89 2.11 2eovA6 ILE 30 HG12 -0.03 0.24 0.06 -0.04 1.49 1.72 2eovA6 ILE 30 HG13 0.00 -0.11 -0.02 -0.04 1.21 1.05 2eovA6 ILE 30 HG23 0.02 -0.02 -0.02 -0.04 0.93 0.87 2eovA6 ILE 30 HD13 -0.03 -0.03 -0.09 -0.04 0.88 0.69 2eovA6 HIS 31 H -0.04 0.43 -0.04 -0.55 8.41 8.22 2eovA6 HIS 31 HA 0.06 0.04 0.42 -0.75 4.63 4.39 2eovA6 HIS 31 HB2 0.29 -0.01 0.11 -0.04 3.26 3.61 2eovA6 HIS 31 HB3 -0.15 0.10 0.20 -0.04 3.20 3.30 2eovA6 HIS 31 HD2 0.30 -0.05 -0.06 -0.04 6.97 7.12 2eovA6 HIS 31 HE1 -0.05 0.06 -0.02 -0.04 7.75 7.69 2eovA6 GLN 32 H 0.01 0.39 -0.06 -0.55 8.47 8.26 2eovA6 GLN 32 HA 0.05 -0.06 0.33 -0.75 4.36 3.93 2eovA6 GLN 32 HB2 -0.02 0.18 0.11 -0.04 2.15 2.37 2eovA6 GLN 32 HB3 -0.01 -0.01 0.02 -0.04 2.02 1.98 2eovA6 GLN 32 HG2 0.03 -0.10 0.04 -0.04 2.40 2.33 2eovA6 GLN 32 HG3 -0.05 0.12 0.01 -0.04 2.39 2.43 2eovA6 GLN 32 HE21 -0.04 -0.05 -0.08 -0.04 6.97 6.76 2eovA6 GLN 32 HE22 -0.02 0.01 -0.03 -0.04 7.69 7.61 2eovA6 LYS 33 H -0.03 0.32 -0.34 -0.55 8.42 7.81 2eovA6 LYS 33 HA -0.02 -0.01 0.34 -0.75 4.32 3.87 2eovA6 LYS 33 HB2 -0.03 0.24 0.13 -0.04 1.87 2.17 2eovA6 LYS 33 HB3 -0.02 -0.02 0.03 -0.04 1.79 1.73 2eovA6 LYS 33 HG2 -0.02 -0.06 0.07 -0.04 1.46 1.41 2eovA6 LYS 33 HG3 -0.02 0.15 0.11 -0.04 1.46 1.65 2eovA6 LYS 33 HD2 -0.02 0.00 0.03 -0.04 1.69 1.66 2eovA6 LYS 33 HD3 -0.02 -0.05 0.01 -0.04 1.68 1.58 2eovA6 LYS 33 HE2 -0.02 0.08 0.05 -0.04 2.99 3.07 2eovA6 LYS 33 HE3 -0.02 -0.05 0.01 -0.04 2.99 2.90 2eovA6 CYS 34 H -0.10 0.40 -0.25 -0.55 8.50 8.01 2eovA6 CYS 34 HA -0.09 -0.02 0.33 -0.75 4.58 4.05 2eovA6 CYS 34 HB2 -0.10 -0.02 0.15 -0.04 2.97 2.96 2eovA6 CYS 34 HB3 -0.37 0.00 0.14 -0.04 2.97 2.70 2eovA6 HIS 35 H -0.21 0.29 -0.10 -0.55 8.41 7.84 2eovA6 HIS 35 HA -0.09 -0.07 0.28 -0.75 4.63 4.00 2eovA6 HIS 35 HB2 -0.12 0.21 0.18 -0.04 3.26 3.50 2eovA6 HIS 35 HB3 -0.05 -0.02 -0.04 -0.04 3.20 3.05 2eovA6 HIS 35 HD2 -0.29 -0.03 -0.10 -0.04 6.97 6.51 2eovA6 HIS 35 HE1 0.09 0.08 -0.13 -0.04 7.75 7.74 2eovA6 THR 36 H 0.04 0.38 -0.24 -0.55 8.28 7.91 2eovA6 THR 36 HA 0.03 -0.02 0.54 -0.75 4.39 4.18 2eovA6 THR 36 HB 0.00 -0.04 0.04 -0.04 4.32 4.29 2eovA6 THR 36 HG23 0.01 -0.02 -0.02 -0.04 1.22 1.14 2eovA6 GLY 37 H 0.01 0.17 0.18 -0.55 8.43 8.24 2eovA6 GLY 37 HA2 0.00 -0.03 0.38 -0.51 4.01 3.85 2eovA6 GLY 37 HA3 -0.01 0.18 0.71 -0.51 4.01 4.38 2eovA6 GLU 38 H -0.03 0.35 -0.02 -0.55 8.60 8.35 2eovA6 GLU 38 HA 0.04 0.17 0.72 -0.75 4.29 4.48 2eovA6 GLU 38 HB2 -0.04 -0.03 0.07 -0.04 2.09 2.05 2eovA6 GLU 38 HB3 -0.16 -0.00 0.14 -0.04 1.99 1.93 2eovA6 GLU 38 HG2 -0.09 -0.01 0.08 -0.04 2.34 2.27 2eovA6 GLU 38 HG3 0.10 0.03 0.04 -0.04 2.34 2.48 2eovA6 ARG 39 H 0.04 0.15 -0.57 -0.55 8.46 7.53 2eovA6 ARG 39 HA 0.06 -0.04 0.37 -0.75 4.34 3.98 2eovA6 ARG 39 HB2 0.06 -0.02 0.13 -0.04 1.90 2.03 2eovA6 ARG 39 HB3 0.07 0.07 -0.01 -0.04 1.80 1.88 2eovA6 ARG 39 HG2 0.07 0.16 0.11 -0.04 1.67 1.97 2eovA6 ARG 39 HG3 0.04 -0.16 0.12 -0.04 1.67 1.63 2eovA6 ARG 39 HD2 0.03 -0.07 0.02 -0.04 3.22 3.16 2eovA6 ARG 39 HD3 0.04 -0.00 0.01 -0.04 3.22 3.22 2eovA6 HIS 40 H 0.12 -0.04 0.29 -0.55 8.41 8.23 2eovA6 HIS 40 HA 0.01 0.15 0.83 -0.75 4.63 4.87 2eovA6 HIS 40 HB2 -0.01 -0.08 0.22 -0.04 3.26 3.35 2eovA6 HIS 40 HB3 0.01 -0.05 0.01 -0.04 3.20 3.13 2eovA6 HIS 40 HD2 -0.00 -0.05 0.02 -0.04 6.97 6.89 2eovA6 HIS 40 HE1 -0.00 -0.05 0.00 -0.04 7.75 7.65 2eovA6 SER 41 H 0.12 -0.07 0.14 -0.55 8.46 8.11 2eovA6 SER 41 HA 0.07 0.01 0.35 -0.75 4.49 4.16 2eovA6 SER 41 HB2 0.10 -0.08 0.15 -0.04 3.95 4.09 2eovA6 SER 41 HB3 0.11 0.14 0.02 -0.04 3.93 4.16 2eovA6 GLY 42 H 0.05 0.01 0.15 -0.55 8.43 8.09 2eovA6 GLY 42 HA2 0.03 0.24 0.64 -0.51 4.01 4.41 2eovA6 GLY 42 HA3 0.03 -0.02 0.42 -0.51 4.01 3.92 2eovA6 PRO 43 HA 0.02 0.12 0.33 -0.51 4.44 4.41 2eovA6 PRO 43 HB2 0.01 0.02 0.08 -0.04 2.28 2.34 2eovA6 PRO 43 HB3 0.01 0.03 0.10 -0.04 2.02 2.13 2eovA6 PRO 43 HG2 0.01 0.03 -0.00 -0.04 2.03 2.02 2eovA6 PRO 43 HG3 0.01 0.04 0.07 -0.04 2.03 2.10 2eovA6 PRO 43 HD2 0.02 0.06 0.21 -0.04 3.68 3.93 2eovA6 PRO 43 HD3 0.02 0.16 0.18 -0.04 3.65 3.96 2eovA6 SER 44 H 0.03 -0.08 -0.85 -0.55 8.46 7.02 2eovA6 SER 44 HA 0.02 0.00 0.41 -0.75 4.49 4.17 2eovA6 SER 44 HB2 0.04 -0.04 0.11 -0.04 3.95 4.02 2eovA6 SER 44 HB3 0.03 0.08 0.01 -0.04 3.93 4.02 2eovA6 SER 45 H 0.01 0.19 0.33 -0.55 8.46 8.46 2eovA6 SER 45 HA 0.00 0.19 0.85 -0.75 4.49 4.78 2eovA6 SER 45 HB2 0.00 0.00 0.02 -0.04 3.95 3.93 2eovA6 SER 45 HB3 -0.02 -0.05 0.04 -0.04 3.93 3.86 2eovA6 GLY 46 H -0.01 0.04 0.01 -0.55 8.43 7.93 2eovA6 GLY 46 HA2 0.01 0.21 0.49 -0.51 4.01 4.21 2eovA6 GLY 46 HA3 0.00 0.05 0.11 -0.51 4.01 3.66