============================================================================= 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 -0.249 -8.345 1.443 -99.200 -91.000 PHE 22 1.000 -1.592 -0.596 -3.052 -99.200 -91.000 TRP 24 1.040 2.003 -9.673 -6.415 -99.200 -91.000 TRP6 24 1.020 3.080 -11.673 -5.776 -99.200 -91.000 HIS 31 0.900 -0.316 4.003 -2.967 -99.200 -91.000 HIS 35 0.900 -0.784 7.913 0.320 -99.200 -91.000 HIS 40 0.900 0.010 21.096 3.271 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eovA17 GLY 1 HA2 0.00 -0.01 0.15 -0.51 4.01 3.64 2eovA17 GLY 1 HA3 0.00 -0.11 0.22 -0.51 4.01 3.61 2eovA17 SER 2 H 0.00 0.09 0.08 -0.55 8.46 8.09 2eovA17 SER 2 HA 0.00 -0.01 0.33 -0.75 4.49 4.05 2eovA17 SER 2 HB2 0.00 -0.02 0.13 -0.04 3.95 4.01 2eovA17 SER 2 HB3 0.00 -0.04 -0.08 -0.04 3.93 3.78 2eovA17 SER 3 H 0.00 -0.09 -0.37 -0.55 8.46 7.46 2eovA17 SER 3 HA 0.00 0.09 0.28 -0.75 4.49 4.11 2eovA17 SER 3 HB2 0.00 -0.07 0.03 -0.04 3.95 3.88 2eovA17 SER 3 HB3 0.00 0.02 -0.03 -0.04 3.93 3.87 2eovA17 GLY 4 H 0.00 0.20 0.20 -0.55 8.43 8.29 2eovA17 GLY 4 HA2 0.00 0.01 0.32 -0.51 4.01 3.83 2eovA17 GLY 4 HA3 0.00 0.13 0.45 -0.51 4.01 4.08 2eovA17 SER 5 H 0.00 0.27 0.17 -0.55 8.46 8.36 2eovA17 SER 5 HA 0.01 0.17 0.78 -0.75 4.49 4.70 2eovA17 SER 5 HB2 0.00 0.00 -0.05 -0.04 3.95 3.86 2eovA17 SER 5 HB3 0.00 -0.09 0.07 -0.04 3.93 3.87 2eovA17 SER 6 H 0.01 0.11 0.13 -0.55 8.46 8.16 2eovA17 SER 6 HA 0.01 0.16 0.54 -0.75 4.49 4.44 2eovA17 SER 6 HB2 0.01 -0.10 0.12 -0.04 3.95 3.95 2eovA17 SER 6 HB3 0.01 0.12 -0.02 -0.04 3.93 4.00 2eovA17 GLY 7 H 0.00 -0.02 0.01 -0.55 8.43 7.87 2eovA17 GLY 7 HA2 -0.00 0.06 0.29 -0.51 4.01 3.85 2eovA17 GLY 7 HA3 -0.00 -0.03 0.28 -0.51 4.01 3.75 2eovA17 THR 8 H -0.01 0.06 0.15 -0.55 8.28 7.94 2eovA17 THR 8 HA -0.01 -0.04 0.35 -0.75 4.39 3.93 2eovA17 THR 8 HB -0.01 -0.07 0.23 -0.04 4.32 4.43 2eovA17 THR 8 HG23 -0.01 0.03 0.05 -0.04 1.22 1.25 2eovA17 GLY 9 H -0.01 0.02 -0.45 -0.55 8.43 7.44 2eovA17 GLY 9 HA2 -0.02 -0.03 0.36 -0.51 4.01 3.81 2eovA17 GLY 9 HA3 -0.02 0.13 0.35 -0.51 4.01 3.96 2eovA17 GLU 10 H -0.03 0.16 0.01 -0.55 8.60 8.20 2eovA17 GLU 10 HA -0.03 0.26 0.86 -0.75 4.29 4.63 2eovA17 GLU 10 HB2 -0.03 -0.02 0.08 -0.04 2.09 2.07 2eovA17 GLU 10 HB3 -0.04 0.04 0.18 -0.04 1.99 2.13 2eovA17 GLU 10 HG2 -0.02 -0.10 -0.22 -0.04 2.34 1.96 2eovA17 GLU 10 HG3 -0.03 0.01 -0.03 -0.04 2.34 2.26 2eovA17 LYS 11 H -0.02 0.09 -0.31 -0.55 8.42 7.62 2eovA17 LYS 11 HA -0.08 0.13 0.57 -0.75 4.32 4.18 2eovA17 LYS 11 HB2 0.04 0.14 0.01 -0.04 1.87 2.01 2eovA17 LYS 11 HB3 0.02 0.16 -0.18 -0.04 1.79 1.75 2eovA17 LYS 11 HG2 -0.02 -0.11 -0.09 -0.04 1.46 1.19 2eovA17 LYS 11 HG3 -0.00 -0.03 -0.42 -0.04 1.46 0.96 2eovA17 LYS 11 HD2 -0.02 0.01 -0.12 -0.04 1.69 1.52 2eovA17 LYS 11 HD3 -0.03 0.01 -0.11 -0.04 1.68 1.51 2eovA17 LYS 11 HE2 -0.05 0.06 -0.11 -0.04 2.99 2.85 2eovA17 LYS 11 HE3 -0.05 -0.10 -0.65 -0.04 2.99 2.16 2eovA17 PRO 12 HA -0.29 0.10 0.40 -0.51 4.44 4.14 2eovA17 PRO 12 HB2 -1.09 -0.03 0.10 -0.04 2.28 1.22 2eovA17 PRO 12 HB3 -0.37 0.02 0.16 -0.04 2.02 1.79 2eovA17 PRO 12 HG2 -0.40 0.08 0.12 -0.04 2.03 1.78 2eovA17 PRO 12 HG3 -0.30 0.01 0.17 -0.04 2.03 1.88 2eovA17 PRO 12 HD2 -0.10 0.07 0.33 -0.04 3.68 3.94 2eovA17 PRO 12 HD3 -0.18 0.14 0.27 -0.04 3.65 3.85 2eovA17 TYR 13 H -0.05 0.17 -0.49 -0.55 8.29 7.37 2eovA17 TYR 13 HA 0.02 0.17 0.75 -0.75 4.56 4.75 2eovA17 TYR 13 HB2 0.09 0.04 -0.15 -0.04 3.06 3.00 2eovA17 TYR 13 HB3 0.02 -0.04 0.02 -0.04 2.98 2.94 2eovA17 TYR 13 HD2 0.00 0.09 -0.18 -0.04 7.15 7.02 2eovA17 TYR 13 HE2 -0.05 0.05 0.06 -0.04 6.85 6.87 2eovA17 LYS 14 H 0.17 0.26 0.15 -0.55 8.42 8.45 2eovA17 LYS 14 HA 0.29 0.12 0.81 -0.75 4.32 4.79 2eovA17 LYS 14 HB2 0.09 0.10 -0.23 -0.04 1.87 1.78 2eovA17 LYS 14 HB3 0.08 -0.01 -0.11 -0.04 1.79 1.70 2eovA17 LYS 14 HG2 0.12 0.01 -0.19 -0.04 1.46 1.36 2eovA17 LYS 14 HG3 0.10 -0.00 -0.26 -0.04 1.46 1.26 2eovA17 LYS 14 HD2 0.04 0.01 -0.15 -0.04 1.69 1.56 2eovA17 LYS 14 HD3 0.05 -0.01 -0.22 -0.04 1.68 1.46 2eovA17 LYS 14 HE2 0.06 -0.06 -0.19 -0.04 2.99 2.76 2eovA17 LYS 14 HE3 0.04 0.03 -0.15 -0.04 2.99 2.87 2eovA17 CYS 15 H 0.28 0.76 0.33 -0.55 8.50 9.33 2eovA17 CYS 15 HA 0.05 0.13 0.67 -0.75 4.58 4.67 2eovA17 CYS 15 HB2 0.21 0.11 0.14 -0.04 2.97 3.38 2eovA17 CYS 15 HB3 0.29 -0.32 0.33 -0.04 2.97 3.22 2eovA17 SER 16 H 0.05 0.25 0.18 -0.55 8.46 8.39 2eovA17 SER 16 HA 0.04 0.16 0.51 -0.75 4.49 4.45 2eovA17 SER 16 HB2 0.03 0.03 0.07 -0.04 3.95 4.04 2eovA17 SER 16 HB3 0.02 0.01 0.12 -0.04 3.93 4.04 2eovA17 ASP 17 H 0.06 -0.13 -0.84 -0.55 8.40 6.94 2eovA17 ASP 17 HA -0.09 0.29 0.91 -0.75 4.63 4.98 2eovA17 ASP 17 HB2 -0.14 -0.14 0.04 -0.04 2.71 2.42 2eovA17 ASP 17 HB3 -0.60 0.09 -0.03 -0.04 2.70 2.12 2eovA17 CYS 18 H 0.10 -0.18 0.06 -0.55 8.50 7.93 2eovA17 CYS 18 HA 0.02 0.29 0.91 -0.75 4.58 5.04 2eovA17 CYS 18 HB2 0.16 0.07 -0.05 -0.04 2.97 3.11 2eovA17 CYS 18 HB3 0.19 0.05 -0.06 -0.04 2.97 3.10 2eovA17 GLY 19 H 0.15 -0.18 0.17 -0.55 8.43 8.04 2eovA17 GLY 19 HA2 0.08 0.10 0.32 -0.51 4.01 4.00 2eovA17 GLY 19 HA3 0.06 0.26 0.96 -0.51 4.01 4.78 2eovA17 LYS 20 H 0.19 0.03 0.30 -0.55 8.42 8.38 2eovA17 LYS 20 HA -0.01 0.30 0.97 -0.75 4.32 4.83 2eovA17 LYS 20 HB2 0.21 -0.13 0.08 -0.04 1.87 1.99 2eovA17 LYS 20 HB3 -0.40 0.07 -0.07 -0.04 1.79 1.34 2eovA17 LYS 20 HG2 -0.10 0.08 0.02 -0.04 1.46 1.41 2eovA17 LYS 20 HG3 0.05 0.03 -0.29 -0.04 1.46 1.20 2eovA17 LYS 20 HD2 0.05 -0.05 -0.07 -0.04 1.69 1.58 2eovA17 LYS 20 HD3 -0.26 -0.00 -0.04 -0.04 1.68 1.33 2eovA17 LYS 20 HE2 -0.04 0.03 -0.02 -0.04 2.99 2.91 2eovA17 LYS 20 HE3 0.07 0.03 -0.07 -0.04 2.99 2.98 2eovA17 SER 21 H -0.12 0.25 0.16 -0.55 8.46 8.20 2eovA17 SER 21 HA 0.14 0.17 0.91 -0.75 4.49 4.95 2eovA17 SER 21 HB2 -0.06 0.03 0.16 -0.04 3.95 4.04 2eovA17 SER 21 HB3 -0.00 -0.06 -0.01 -0.04 3.93 3.82 2eovA17 PHE 22 H 0.36 0.57 0.12 -0.55 8.34 8.83 2eovA17 PHE 22 HA 0.05 0.17 0.91 -0.75 4.62 4.99 2eovA17 PHE 22 HB2 0.10 -0.03 -0.18 -0.04 3.15 3.00 2eovA17 PHE 22 HB3 0.09 -0.03 -0.17 -0.04 3.06 2.90 2eovA17 PHE 22 HD2 0.02 0.01 -0.31 -0.04 7.28 6.96 2eovA17 PHE 22 HE2 -0.13 -0.00 -0.08 -0.04 7.38 7.13 2eovA17 PHE 22 HZ -1.37 0.03 -0.07 -0.04 7.32 5.86 2eovA17 THR 23 H 0.15 0.18 0.11 -0.55 8.28 8.17 2eovA17 THR 23 HA -0.00 0.12 0.58 -0.75 4.39 4.33 2eovA17 THR 23 HB 0.10 -0.03 0.11 -0.04 4.32 4.46 2eovA17 THR 23 HG23 -0.37 0.01 0.01 -0.04 1.22 0.83 2eovA17 TRP 24 H 0.37 0.08 -0.01 -0.55 7.97 7.85 2eovA17 TRP 24 HA 0.14 0.25 0.92 -0.75 4.62 5.18 2eovA17 TRP 24 HB2 0.06 -0.01 0.15 -0.04 3.23 3.39 2eovA17 TRP 24 HB3 0.02 -0.03 0.03 -0.04 3.23 3.20 2eovA17 TRP 24 HD1 0.05 -0.04 -0.00 -0.04 7.22 7.20 2eovA17 TRP 24 HE1 0.03 0.04 -0.02 -0.04 10.20 10.21 2eovA17 TRP 24 HE3 0.04 -0.09 0.04 -0.04 7.59 7.54 2eovA17 TRP 24 HZ2 0.03 0.03 -0.01 -0.04 7.44 7.45 2eovA17 TRP 24 HZ3 0.04 0.02 0.02 -0.04 7.13 7.16 2eovA17 TRP 24 HH2 0.03 0.03 0.01 -0.04 7.19 7.21 2eovA17 LYS 25 H -0.23 0.33 0.08 -0.55 8.42 8.06 2eovA17 LYS 25 HA -0.59 0.07 0.29 -0.75 4.32 3.34 2eovA17 LYS 25 HB2 -0.52 0.04 0.01 -0.04 1.87 1.36 2eovA17 LYS 25 HB3 -2.26 0.13 0.09 -0.04 1.79 -0.30 2eovA17 LYS 25 HG2 -0.16 -0.03 0.14 -0.04 1.46 1.37 2eovA17 LYS 25 HG3 -0.12 -0.02 0.01 -0.04 1.46 1.29 2eovA17 LYS 25 HD2 -0.09 0.03 -0.00 -0.04 1.69 1.58 2eovA17 LYS 25 HD3 -0.09 0.07 0.03 -0.04 1.68 1.65 2eovA17 LYS 25 HE2 0.09 0.05 0.02 -0.04 2.99 3.11 2eovA17 LYS 25 HE3 0.14 0.00 0.05 -0.04 2.99 3.14 2eovA17 SER 26 H 0.04 0.12 -0.26 -0.55 8.46 7.82 2eovA17 SER 26 HA -0.03 0.09 0.32 -0.75 4.49 4.12 2eovA17 SER 26 HB2 0.04 0.02 0.07 -0.04 3.95 4.04 2eovA17 SER 26 HB3 0.04 0.00 -0.04 -0.04 3.93 3.89 2eovA17 ARG 27 H 0.14 0.37 -0.48 -0.55 8.46 7.93 2eovA17 ARG 27 HA 0.08 0.11 0.52 -0.75 4.34 4.30 2eovA17 ARG 27 HB2 0.33 0.07 0.10 -0.04 1.90 2.35 2eovA17 ARG 27 HB3 0.26 0.01 0.05 -0.04 1.80 2.09 2eovA17 ARG 27 HG2 0.16 -0.10 -0.00 -0.04 1.67 1.69 2eovA17 ARG 27 HG3 0.24 -0.05 0.05 -0.04 1.67 1.88 2eovA17 ARG 27 HD2 0.05 0.03 -0.04 -0.04 3.22 3.22 2eovA17 ARG 27 HD3 -0.02 0.02 -0.02 -0.04 3.22 3.15 2eovA17 LEU 28 H -0.05 0.34 -0.16 -0.55 8.37 7.95 2eovA17 LEU 28 HA -1.04 0.05 0.44 -0.75 4.35 3.04 2eovA17 LEU 28 HB2 -0.48 -0.05 -0.06 -0.04 1.64 1.01 2eovA17 LEU 28 HB3 -0.25 0.13 0.19 -0.04 1.64 1.68 2eovA17 LEU 28 HG -0.23 0.04 -0.39 -0.04 1.64 1.02 2eovA17 LEU 28 HD13 -0.54 -0.03 -0.17 -0.04 0.93 0.14 2eovA17 LEU 28 HD23 -0.08 0.01 -0.08 -0.04 0.89 0.71 2eovA17 ARG 29 H -0.14 0.54 0.04 -0.55 8.46 8.35 2eovA17 ARG 29 HA -0.08 0.03 0.31 -0.75 4.34 3.84 2eovA17 ARG 29 HB2 -0.05 0.02 0.03 -0.04 1.90 1.87 2eovA17 ARG 29 HB3 -0.08 0.00 0.07 -0.04 1.80 1.75 2eovA17 ARG 29 HG2 -0.04 0.17 0.05 -0.04 1.67 1.81 2eovA17 ARG 29 HG3 -0.04 0.07 -0.35 -0.04 1.67 1.32 2eovA17 ARG 29 HD2 -0.03 0.02 -0.04 -0.04 3.22 3.12 2eovA17 ARG 29 HD3 -0.03 -0.00 -0.04 -0.04 3.22 3.10 2eovA17 ILE 30 H -0.04 0.21 -0.62 -0.55 8.25 7.25 2eovA17 ILE 30 HA -0.02 0.06 0.41 -0.75 4.18 3.87 2eovA17 ILE 30 HB 0.04 0.11 0.09 -0.04 1.89 2.09 2eovA17 ILE 30 HG12 -0.01 -0.04 0.02 -0.04 1.49 1.42 2eovA17 ILE 30 HG13 -0.01 0.20 0.11 -0.04 1.21 1.47 2eovA17 ILE 30 HG23 0.01 -0.01 -0.08 -0.04 0.93 0.81 2eovA17 ILE 30 HD13 0.00 -0.01 -0.00 -0.04 0.88 0.83 2eovA17 HIS 31 H 0.04 0.37 -0.10 -0.55 8.41 8.17 2eovA17 HIS 31 HA -0.03 0.03 0.45 -0.75 4.63 4.33 2eovA17 HIS 31 HB2 0.21 0.00 0.13 -0.04 3.26 3.57 2eovA17 HIS 31 HB3 -0.27 0.06 0.23 -0.04 3.20 3.18 2eovA17 HIS 31 HD2 -0.02 -0.04 -0.18 -0.04 6.97 6.69 2eovA17 HIS 31 HE1 0.06 0.03 -0.05 -0.04 7.75 7.75 2eovA17 GLN 32 H -0.05 0.72 -0.10 -0.55 8.47 8.50 2eovA17 GLN 32 HA 0.06 -0.07 0.31 -0.75 4.36 3.90 2eovA17 GLN 32 HB2 -0.04 0.18 0.05 -0.04 2.15 2.30 2eovA17 GLN 32 HB3 0.01 0.01 -0.02 -0.04 2.02 1.99 2eovA17 GLN 32 HG2 0.05 -0.12 0.00 -0.04 2.40 2.29 2eovA17 GLN 32 HG3 -0.08 0.09 -0.13 -0.04 2.39 2.23 2eovA17 GLN 32 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 2eovA17 GLN 32 HE22 -0.01 0.03 -0.01 -0.04 7.69 7.65 2eovA17 LYS 33 H -0.08 0.28 -0.61 -0.55 8.42 7.46 2eovA17 LYS 33 HA -0.04 0.04 0.34 -0.75 4.32 3.90 2eovA17 LYS 33 HB2 -0.06 0.15 0.13 -0.04 1.87 2.05 2eovA17 LYS 33 HB3 -0.04 -0.06 -0.01 -0.04 1.79 1.64 2eovA17 LYS 33 HG2 -0.03 -0.06 0.03 -0.04 1.46 1.35 2eovA17 LYS 33 HG3 -0.04 0.20 0.20 -0.04 1.46 1.78 2eovA17 LYS 33 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.62 2eovA17 LYS 33 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.57 2eovA17 LYS 33 HE2 -0.03 -0.02 -0.11 -0.04 2.99 2.79 2eovA17 LYS 33 HE3 -0.02 -0.05 -0.03 -0.04 2.99 2.85 2eovA17 CYS 34 H -0.18 0.29 -0.10 -0.55 8.50 7.97 2eovA17 CYS 34 HA -0.11 -0.04 0.32 -0.75 4.58 3.99 2eovA17 CYS 34 HB2 -0.54 0.12 0.10 -0.04 2.97 2.61 2eovA17 CYS 34 HB3 -0.21 -0.08 0.06 -0.04 2.97 2.70 2eovA17 HIS 35 H -0.29 0.24 -0.71 -0.55 8.41 7.11 2eovA17 HIS 35 HA -0.07 -0.08 0.41 -0.75 4.63 4.14 2eovA17 HIS 35 HB2 -0.08 0.33 0.22 -0.04 3.26 3.70 2eovA17 HIS 35 HB3 -0.04 -0.06 0.09 -0.04 3.20 3.14 2eovA17 HIS 35 HD2 -0.06 -0.04 0.01 -0.04 6.97 6.83 2eovA17 HIS 35 HE1 0.07 -0.00 -0.09 -0.04 7.75 7.69 2eovA17 THR 36 H 0.00 0.43 0.51 -0.55 8.28 8.68 2eovA17 THR 36 HA -0.01 0.03 0.42 -0.75 4.39 4.08 2eovA17 THR 36 HB -0.01 0.24 -0.02 -0.04 4.32 4.49 2eovA17 THR 36 HG23 -0.03 0.01 -0.23 -0.04 1.22 0.92 2eovA17 GLY 37 H -0.04 0.21 0.08 -0.55 8.43 8.13 2eovA17 GLY 37 HA2 -0.05 0.02 0.36 -0.51 4.01 3.83 2eovA17 GLY 37 HA3 -0.04 0.12 0.80 -0.51 4.01 4.37 2eovA17 GLU 38 H -0.06 0.26 0.12 -0.55 8.60 8.37 2eovA17 GLU 38 HA -0.18 0.05 0.34 -0.75 4.29 3.74 2eovA17 GLU 38 HB2 -0.02 0.02 0.15 -0.04 2.09 2.20 2eovA17 GLU 38 HB3 -0.02 -0.05 0.07 -0.04 1.99 1.95 2eovA17 GLU 38 HG2 0.07 0.01 -0.08 -0.04 2.34 2.30 2eovA17 GLU 38 HG3 0.03 -0.01 0.03 -0.04 2.34 2.35 2eovA17 ARG 39 H -0.06 0.05 -0.24 -0.55 8.46 7.65 2eovA17 ARG 39 HA 0.00 -0.04 0.26 -0.75 4.34 3.81 2eovA17 ARG 39 HB2 0.00 -0.03 -0.05 -0.04 1.90 1.77 2eovA17 ARG 39 HB3 -0.03 0.02 -0.10 -0.04 1.80 1.65 2eovA17 ARG 39 HG2 -0.01 0.03 -0.14 -0.04 1.67 1.51 2eovA17 ARG 39 HG3 0.01 0.04 -0.20 -0.04 1.67 1.48 2eovA17 ARG 39 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.16 2eovA17 ARG 39 HD3 0.02 -0.03 -0.05 -0.04 3.22 3.12 2eovA17 HIS 40 H 0.16 0.05 0.14 -0.55 8.41 8.21 2eovA17 HIS 40 HA 0.00 0.17 0.79 -0.75 4.63 4.84 2eovA17 HIS 40 HB2 0.00 -0.06 0.23 -0.04 3.26 3.40 2eovA17 HIS 40 HB3 0.00 -0.04 0.07 -0.04 3.20 3.19 2eovA17 HIS 40 HD2 0.00 -0.05 0.02 -0.04 6.97 6.89 2eovA17 HIS 40 HE1 0.01 -0.11 -0.01 -0.04 7.75 7.59 2eovA17 SER 41 H 0.02 0.34 0.04 -0.55 8.46 8.31 2eovA17 SER 41 HA 0.04 0.05 0.64 -0.75 4.49 4.47 2eovA17 SER 41 HB2 0.02 0.06 -0.26 -0.04 3.95 3.73 2eovA17 SER 41 HB3 0.00 0.01 -0.06 -0.04 3.93 3.84 2eovA17 GLY 42 H 0.02 0.12 0.08 -0.55 8.43 8.11 2eovA17 GLY 42 HA2 0.01 0.19 0.73 -0.51 4.01 4.43 2eovA17 GLY 42 HA3 0.01 0.01 0.27 -0.51 4.01 3.80 2eovA17 PRO 43 HA 0.00 0.03 0.40 -0.51 4.44 4.36 2eovA17 PRO 43 HB2 0.00 -0.07 -0.05 -0.04 2.28 2.11 2eovA17 PRO 43 HB3 0.00 0.07 0.06 -0.04 2.02 2.11 2eovA17 PRO 43 HG2 0.00 0.02 0.13 -0.04 2.03 2.14 2eovA17 PRO 43 HG3 0.00 0.06 0.09 -0.04 2.03 2.14 2eovA17 PRO 43 HD2 0.00 0.07 0.22 -0.04 3.68 3.93 2eovA17 PRO 43 HD3 0.00 0.22 0.23 -0.04 3.65 4.06 2eovA17 SER 44 H 0.00 0.15 0.18 -0.55 8.46 8.25 2eovA17 SER 44 HA 0.00 0.13 0.50 -0.75 4.49 4.38 2eovA17 SER 44 HB2 0.00 0.01 0.02 -0.04 3.95 3.95 2eovA17 SER 44 HB3 0.00 0.06 0.10 -0.04 3.93 4.06 2eovA17 SER 45 H 0.00 0.09 -0.07 -0.55 8.46 7.94 2eovA17 SER 45 HA 0.00 0.23 0.85 -0.75 4.49 4.81 2eovA17 SER 45 HB2 0.00 0.02 0.10 -0.04 3.95 4.02 2eovA17 SER 45 HB3 0.00 0.04 -0.07 -0.04 3.93 3.86 2eovA17 GLY 46 H 0.00 0.27 -0.28 -0.55 8.43 7.87 2eovA17 GLY 46 HA2 -0.00 0.08 0.16 -0.51 4.01 3.74 2eovA17 GLY 46 HA3 -0.00 0.07 0.13 -0.51 4.01 3.71