============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 13 0.840 -6.000 0.050 -0.849 -99.200 -91.000 PHE 22 1.000 -1.696 -0.294 7.598 -99.200 -91.000 HIS 24 0.900 -10.433 3.740 2.611 -99.200 -91.000 TYR 27 0.840 -8.633 3.510 8.513 -99.200 -91.000 HIS 31 0.900 2.672 1.155 8.729 -99.200 -91.000 HIS 35 0.900 7.688 2.341 6.879 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2eneA10 GLY 1 HA2 0.00 -0.10 0.21 -0.51 4.01 3.61 2eneA10 GLY 1 HA3 0.00 -0.02 0.13 -0.51 4.01 3.61 2eneA10 SER 2 H 0.00 0.05 0.09 -0.55 8.46 8.05 2eneA10 SER 2 HA 0.00 0.17 0.75 -0.75 4.49 4.66 2eneA10 SER 2 HB2 0.00 0.00 0.04 -0.04 3.95 3.95 2eneA10 SER 2 HB3 0.00 -0.02 0.03 -0.04 3.93 3.89 2eneA10 SER 3 H 0.00 0.11 0.11 -0.55 8.46 8.13 2eneA10 SER 3 HA -0.00 0.16 0.69 -0.75 4.49 4.58 2eneA10 SER 3 HB2 0.00 0.03 0.04 -0.04 3.95 3.98 2eneA10 SER 3 HB3 0.00 0.04 -0.03 -0.04 3.93 3.90 2eneA10 GLY 4 H -0.00 0.10 0.09 -0.55 8.43 8.07 2eneA10 GLY 4 HA2 -0.00 -0.02 0.33 -0.51 4.01 3.80 2eneA10 GLY 4 HA3 -0.00 0.01 0.31 -0.51 4.01 3.82 2eneA10 SER 5 H -0.00 0.03 0.14 -0.55 8.46 8.08 2eneA10 SER 5 HA 0.00 0.05 0.40 -0.75 4.49 4.19 2eneA10 SER 5 HB2 -0.00 -0.03 0.03 -0.04 3.95 3.91 2eneA10 SER 5 HB3 0.00 0.04 -0.03 -0.04 3.93 3.90 2eneA10 SER 6 H 0.00 0.12 0.16 -0.55 8.46 8.20 2eneA10 SER 6 HA -0.00 0.01 0.49 -0.75 4.49 4.24 2eneA10 SER 6 HB2 0.01 0.08 0.15 -0.04 3.95 4.14 2eneA10 SER 6 HB3 0.00 0.01 0.15 -0.04 3.93 4.05 2eneA10 GLY 7 H -0.00 0.23 0.21 -0.55 8.43 8.32 2eneA10 GLY 7 HA2 0.00 0.02 0.33 -0.51 4.01 3.85 2eneA10 GLY 7 HA3 0.00 0.10 0.42 -0.51 4.01 4.02 2eneA10 THR 8 H -0.01 0.13 0.08 -0.55 8.28 7.93 2eneA10 THR 8 HA -0.00 0.27 0.84 -0.75 4.39 4.74 2eneA10 THR 8 HB -0.01 -0.01 0.20 -0.04 4.32 4.46 2eneA10 THR 8 HG23 -0.01 0.04 -0.16 -0.04 1.22 1.05 2eneA10 GLY 9 H -0.00 0.17 -0.14 -0.55 8.43 7.91 2eneA10 GLY 9 HA2 -0.01 0.11 0.76 -0.51 4.01 4.36 2eneA10 GLY 9 HA3 -0.00 0.04 0.28 -0.51 4.01 3.81 2eneA10 GLU 10 H 0.00 0.17 0.10 -0.55 8.60 8.32 2eneA10 GLU 10 HA 0.01 0.19 0.54 -0.75 4.29 4.27 2eneA10 GLU 10 HB2 0.01 -0.03 0.13 -0.04 2.09 2.16 2eneA10 GLU 10 HB3 0.01 0.00 0.21 -0.04 1.99 2.18 2eneA10 GLU 10 HG2 0.00 0.03 -0.12 -0.04 2.34 2.21 2eneA10 GLU 10 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 2eneA10 LYS 11 H 0.03 0.18 -0.88 -0.55 8.42 7.18 2eneA10 LYS 11 HA 0.06 0.25 0.93 -0.75 4.32 4.81 2eneA10 LYS 11 HB2 0.08 -0.05 -0.06 -0.04 1.87 1.79 2eneA10 LYS 11 HB3 0.18 0.05 0.02 -0.04 1.79 2.00 2eneA10 LYS 11 HG2 0.11 -0.07 -0.23 -0.04 1.46 1.23 2eneA10 LYS 11 HG3 0.09 0.12 -0.05 -0.04 1.46 1.57 2eneA10 LYS 11 HD2 0.03 -0.17 -0.55 -0.04 1.69 0.96 2eneA10 LYS 11 HD3 0.02 -0.03 -0.19 -0.04 1.68 1.43 2eneA10 LYS 11 HE2 0.04 -0.06 -0.09 -0.04 2.99 2.84 2eneA10 LYS 11 HE3 0.03 0.09 -0.10 -0.04 2.99 2.97 2eneA10 PRO 12 HA -0.11 0.12 0.37 -0.51 4.44 4.32 2eneA10 PRO 12 HB2 -0.50 0.00 0.06 -0.04 2.28 1.80 2eneA10 PRO 12 HB3 -0.14 0.04 0.11 -0.04 2.02 1.98 2eneA10 PRO 12 HG2 -0.12 0.03 0.05 -0.04 2.03 1.94 2eneA10 PRO 12 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 2eneA10 PRO 12 HD2 0.17 0.13 0.27 -0.04 3.68 4.21 2eneA10 PRO 12 HD3 0.04 0.19 0.19 -0.04 3.65 4.02 2eneA10 TYR 13 H 0.17 0.08 -0.59 -0.55 8.29 7.40 2eneA10 TYR 13 HA 0.05 0.18 0.92 -0.75 4.56 4.94 2eneA10 TYR 13 HB2 0.11 0.27 0.06 -0.04 3.06 3.45 2eneA10 TYR 13 HB3 0.08 -0.08 -0.09 -0.04 2.98 2.85 2eneA10 TYR 13 HD2 0.01 0.07 -0.01 -0.04 7.15 7.17 2eneA10 TYR 13 HE2 -0.05 0.03 0.02 -0.04 6.85 6.81 2eneA10 LYS 14 H 0.12 0.28 0.07 -0.55 8.42 8.33 2eneA10 LYS 14 HA 0.17 0.07 0.97 -0.75 4.32 4.77 2eneA10 LYS 14 HB2 0.06 0.03 -0.13 -0.04 1.87 1.79 2eneA10 LYS 14 HB3 0.05 -0.00 -0.02 -0.04 1.79 1.78 2eneA10 LYS 14 HG2 0.07 0.04 -0.43 -0.04 1.46 1.10 2eneA10 LYS 14 HG3 0.05 0.19 -0.06 -0.04 1.46 1.61 2eneA10 LYS 14 HD2 0.02 -0.10 -0.08 -0.04 1.69 1.50 2eneA10 LYS 14 HD3 0.03 -0.02 -0.08 -0.04 1.68 1.56 2eneA10 LYS 14 HE2 0.03 0.03 -0.11 -0.04 2.99 2.90 2eneA10 LYS 14 HE3 0.02 0.06 -0.06 -0.04 2.99 2.97 2eneA10 CYS 15 H 0.23 0.39 0.04 -0.55 8.50 8.61 2eneA10 CYS 15 HA 0.19 0.06 0.48 -0.75 4.58 4.55 2eneA10 CYS 15 HB2 0.48 0.07 0.08 -0.04 2.97 3.56 2eneA10 CYS 15 HB3 0.30 -0.37 0.26 -0.04 2.97 3.12 2eneA10 ASN 16 H 0.08 0.17 0.23 -0.55 8.53 8.46 2eneA10 ASN 16 HA 0.03 0.24 0.65 -0.75 4.76 4.93 2eneA10 ASN 16 HB2 0.03 -0.04 0.13 -0.04 2.88 2.96 2eneA10 ASN 16 HB3 0.01 0.04 0.16 -0.04 2.79 2.96 2eneA10 ASN 16 HD21 0.02 -0.05 0.05 -0.04 7.03 7.01 2eneA10 ASN 16 HD22 0.02 0.01 0.02 -0.04 7.74 7.75 2eneA10 GLU 17 H 0.02 -0.16 -0.34 -0.55 8.60 7.57 2eneA10 GLU 17 HA -0.16 0.27 0.79 -0.75 4.29 4.43 2eneA10 GLU 17 HB2 -0.55 -0.15 0.09 -0.04 2.09 1.44 2eneA10 GLU 17 HB3 -1.23 0.10 -0.02 -0.04 1.99 0.80 2eneA10 GLU 17 HG2 -0.09 -0.08 -0.14 -0.04 2.34 2.00 2eneA10 GLU 17 HG3 -0.07 -0.00 0.02 -0.04 2.34 2.25 2eneA10 CYS 18 H 0.05 -0.23 -0.03 -0.55 8.50 7.75 2eneA10 CYS 18 HA 0.02 0.31 0.91 -0.75 4.58 5.06 2eneA10 CYS 18 HB2 0.15 0.07 -0.04 -0.04 2.97 3.11 2eneA10 CYS 18 HB3 0.24 0.08 -0.08 -0.04 2.97 3.16 2eneA10 GLY 19 H 0.14 -0.28 0.17 -0.55 8.43 7.91 2eneA10 GLY 19 HA2 0.05 0.21 0.31 -0.51 4.01 4.07 2eneA10 GLY 19 HA3 0.04 0.24 0.92 -0.51 4.01 4.70 2eneA10 LYS 20 H 0.15 -0.24 0.23 -0.55 8.42 8.00 2eneA10 LYS 20 HA -0.08 0.24 0.70 -0.75 4.32 4.43 2eneA10 LYS 20 HB2 0.07 -0.11 0.12 -0.04 1.87 1.91 2eneA10 LYS 20 HB3 -0.40 0.02 0.12 -0.04 1.79 1.48 2eneA10 LYS 20 HG2 -0.12 0.09 0.02 -0.04 1.46 1.40 2eneA10 LYS 20 HG3 0.04 -0.01 -0.06 -0.04 1.46 1.39 2eneA10 LYS 20 HD2 -0.04 0.05 -0.02 -0.04 1.69 1.64 2eneA10 LYS 20 HD3 -0.52 -0.05 -0.01 -0.04 1.68 1.06 2eneA10 LYS 20 HE2 -0.56 -0.01 0.08 -0.04 2.99 2.45 2eneA10 LYS 20 HE3 -0.19 0.04 0.02 -0.04 2.99 2.81 2eneA10 VAL 21 H -0.45 0.26 0.21 -0.55 8.24 7.72 2eneA10 VAL 21 HA 0.09 0.13 0.85 -0.75 4.13 4.44 2eneA10 VAL 21 HB -0.11 -0.04 -0.02 -0.04 2.12 1.90 2eneA10 VAL 21 HG13 0.05 0.01 0.03 -0.04 0.97 1.01 2eneA10 VAL 21 HG23 -0.03 0.05 -0.28 -0.04 0.95 0.65 2eneA10 PHE 22 H 0.26 0.61 0.19 -0.55 8.34 8.84 2eneA10 PHE 22 HA 0.02 0.14 0.80 -0.75 4.62 4.82 2eneA10 PHE 22 HB2 0.07 0.00 -0.08 -0.04 3.15 3.10 2eneA10 PHE 22 HB3 0.10 -0.05 0.04 -0.04 3.06 3.11 2eneA10 PHE 22 HD2 0.03 -0.02 -0.20 -0.04 7.28 7.05 2eneA10 PHE 22 HE2 -0.14 -0.01 -0.12 -0.04 7.38 7.06 2eneA10 PHE 22 HZ -1.04 0.03 -0.06 -0.04 7.32 6.21 2eneA10 ARG 23 H 0.16 0.14 0.13 -0.55 8.46 8.34 2eneA10 ARG 23 HA 0.15 0.11 0.44 -0.75 4.34 4.29 2eneA10 ARG 23 HB2 0.17 -0.09 0.18 -0.04 1.90 2.12 2eneA10 ARG 23 HB3 0.14 0.06 0.04 -0.04 1.80 2.00 2eneA10 ARG 23 HG2 0.06 0.06 0.03 -0.04 1.67 1.79 2eneA10 ARG 23 HG3 0.04 -0.04 0.08 -0.04 1.67 1.71 2eneA10 ARG 23 HD2 0.01 0.04 0.03 -0.04 3.22 3.25 2eneA10 ARG 23 HD3 0.02 -0.03 0.05 -0.04 3.22 3.23 2eneA10 HIS 24 H 0.36 0.05 0.02 -0.55 8.41 8.30 2eneA10 HIS 24 HA -0.26 0.28 0.92 -0.75 4.63 4.82 2eneA10 HIS 24 HB2 0.10 0.07 0.02 -0.04 3.26 3.42 2eneA10 HIS 24 HB3 -0.19 -0.12 0.01 -0.04 3.20 2.86 2eneA10 HIS 24 HD2 -0.02 0.08 0.01 -0.04 6.97 7.00 2eneA10 HIS 24 HE1 -0.13 0.06 0.04 -0.04 7.75 7.68 2eneA10 ASN 25 H -1.09 0.26 0.12 -0.55 8.53 7.28 2eneA10 ASN 25 HA -0.34 0.09 0.33 -0.75 4.76 4.08 2eneA10 ASN 25 HB2 -0.16 0.06 -0.04 -0.04 2.88 2.69 2eneA10 ASN 25 HB3 -0.54 0.10 0.07 -0.04 2.79 2.38 2eneA10 ASN 25 HD21 -0.10 0.05 -0.09 -0.04 7.03 6.85 2eneA10 ASN 25 HD22 -0.11 0.05 0.00 -0.04 7.74 7.64 2eneA10 SER 26 H -0.07 0.11 -0.12 -0.55 8.46 7.84 2eneA10 SER 26 HA -0.11 0.10 0.29 -0.75 4.49 4.02 2eneA10 SER 26 HB2 -0.26 0.09 -0.00 -0.04 3.95 3.73 2eneA10 SER 26 HB3 -0.04 0.04 0.08 -0.04 3.93 3.97 2eneA10 TYR 27 H -0.24 0.10 -0.54 -0.55 8.29 7.06 2eneA10 TYR 27 HA -0.05 0.11 0.49 -0.75 4.56 4.35 2eneA10 TYR 27 HB2 0.05 0.04 0.11 -0.04 3.06 3.23 2eneA10 TYR 27 HB3 0.06 0.04 0.01 -0.04 2.98 3.05 2eneA10 TYR 27 HD2 0.05 -0.04 0.04 -0.04 7.15 7.16 2eneA10 TYR 27 HE2 -0.00 0.03 -0.00 -0.04 6.85 6.83 2eneA10 LEU 28 H -0.13 0.34 0.01 -0.55 8.37 8.04 2eneA10 LEU 28 HA -1.63 -0.02 0.27 -0.75 4.35 2.21 2eneA10 LEU 28 HB2 -0.17 -0.02 -0.01 -0.04 1.64 1.40 2eneA10 LEU 28 HB3 -0.15 0.12 0.12 -0.04 1.64 1.68 2eneA10 LEU 28 HG -0.06 0.03 -0.32 -0.04 1.64 1.25 2eneA10 LEU 28 HD13 0.12 -0.04 -0.04 -0.04 0.93 0.92 2eneA10 LEU 28 HD23 0.14 0.00 -0.15 -0.04 0.89 0.84 2eneA10 SER 29 H -0.15 0.44 -0.81 -0.55 8.46 7.40 2eneA10 SER 29 HA -0.07 -0.00 0.40 -0.75 4.49 4.06 2eneA10 SER 29 HB2 -0.07 -0.04 -0.01 -0.04 3.95 3.80 2eneA10 SER 29 HB3 -0.07 0.23 0.12 -0.04 3.93 4.17 2eneA10 ARG 30 H -0.06 0.37 0.07 -0.55 8.46 8.29 2eneA10 ARG 30 HA -0.03 0.03 0.36 -0.75 4.34 3.94 2eneA10 ARG 30 HB2 0.02 -0.02 0.14 -0.04 1.90 1.99 2eneA10 ARG 30 HB3 0.02 0.02 0.21 -0.04 1.80 2.00 2eneA10 ARG 30 HG2 0.02 0.15 -0.08 -0.04 1.67 1.72 2eneA10 ARG 30 HG3 0.05 -0.03 -0.23 -0.04 1.67 1.42 2eneA10 ARG 30 HD2 0.09 -0.00 -0.01 -0.04 3.22 3.26 2eneA10 ARG 30 HD3 0.15 -0.02 0.06 -0.04 3.22 3.37 2eneA10 HIS 31 H -0.10 0.19 -0.98 -0.55 8.41 6.98 2eneA10 HIS 31 HA -0.06 0.16 0.73 -0.75 4.63 4.70 2eneA10 HIS 31 HB2 0.01 0.00 -0.03 -0.04 3.26 3.21 2eneA10 HIS 31 HB3 -0.54 0.07 0.11 -0.04 3.20 2.79 2eneA10 HIS 31 HD2 0.12 -0.02 0.02 -0.04 6.97 7.04 2eneA10 HIS 31 HE1 0.14 0.04 -0.07 -0.04 7.75 7.82 2eneA10 GLN 32 H -0.07 0.64 0.22 -0.55 8.47 8.72 2eneA10 GLN 32 HA -0.19 -0.07 0.35 -0.75 4.36 3.70 2eneA10 GLN 32 HB2 -0.02 0.14 0.18 -0.04 2.15 2.41 2eneA10 GLN 32 HB3 0.04 -0.00 0.00 -0.04 2.02 2.02 2eneA10 GLN 32 HG2 0.22 -0.13 0.11 -0.04 2.40 2.56 2eneA10 GLN 32 HG3 0.13 0.05 0.08 -0.04 2.39 2.61 2eneA10 GLN 32 HE21 0.14 -0.08 -0.03 -0.04 6.97 6.96 2eneA10 GLN 32 HE22 0.08 0.07 -0.01 -0.04 7.69 7.79 2eneA10 ARG 33 H -0.13 0.40 -0.71 -0.55 8.46 7.47 2eneA10 ARG 33 HA -0.06 -0.04 0.33 -0.75 4.34 3.82 2eneA10 ARG 33 HB2 -0.05 -0.05 -0.01 -0.04 1.90 1.75 2eneA10 ARG 33 HB3 -0.06 0.11 0.02 -0.04 1.80 1.83 2eneA10 ARG 33 HG2 -0.11 0.14 -0.19 -0.04 1.67 1.48 2eneA10 ARG 33 HG3 -0.09 -0.02 -0.13 -0.04 1.67 1.38 2eneA10 ARG 33 HD2 -0.04 -0.09 -0.01 -0.04 3.22 3.04 2eneA10 ARG 33 HD3 -0.04 -0.05 0.13 -0.04 3.22 3.23 2eneA10 ILE 34 H -0.26 0.65 -0.10 -0.55 8.25 7.99 2eneA10 ILE 34 HA -0.12 -0.01 0.32 -0.75 4.18 3.61 2eneA10 ILE 34 HB -0.17 -0.03 0.07 -0.04 1.89 1.72 2eneA10 ILE 34 HG12 -1.01 0.16 -0.12 -0.04 1.49 0.48 2eneA10 ILE 34 HG13 -0.93 0.06 -0.37 -0.04 1.21 -0.07 2eneA10 ILE 34 HG23 -0.15 -0.03 0.12 -0.04 0.93 0.83 2eneA10 ILE 34 HD13 -0.26 -0.04 -0.09 -0.04 0.88 0.46 2eneA10 HIS 35 H -0.38 0.49 -0.64 -0.55 8.41 7.33 2eneA10 HIS 35 HA -0.04 0.07 0.56 -0.75 4.63 4.47 2eneA10 HIS 35 HB2 -0.05 0.00 0.20 -0.04 3.26 3.37 2eneA10 HIS 35 HB3 -0.03 -0.00 0.01 -0.04 3.20 3.14 2eneA10 HIS 35 HD2 -0.09 -0.07 0.12 -0.04 6.97 6.89 2eneA10 HIS 35 HE1 0.03 0.01 -0.14 -0.04 7.75 7.60 2eneA10 THR 36 H 0.06 0.17 0.11 -0.55 8.28 8.07 2eneA10 THR 36 HA 0.03 0.00 0.32 -0.75 4.39 3.99 2eneA10 THR 36 HB 0.00 -0.02 0.03 -0.04 4.32 4.29 2eneA10 THR 36 HG23 0.02 -0.04 0.02 -0.04 1.22 1.18 2eneA10 GLY 37 H -0.02 0.49 -0.34 -0.55 8.43 8.01 2eneA10 GLY 37 HA2 -0.01 -0.04 0.35 -0.51 4.01 3.81 2eneA10 GLY 37 HA3 -0.02 -0.07 0.19 -0.51 4.01 3.61 2eneA10 GLU 38 H 0.00 0.25 -0.18 -0.55 8.60 8.12 2eneA10 GLU 38 HA 0.01 -0.13 0.44 -0.75 4.29 3.85 2eneA10 GLU 38 HB2 0.02 0.08 0.24 -0.04 2.09 2.39 2eneA10 GLU 38 HB3 0.04 0.04 0.14 -0.04 1.99 2.17 2eneA10 GLU 38 HG2 0.03 0.13 -0.06 -0.04 2.34 2.39 2eneA10 GLU 38 HG3 0.02 -0.11 0.11 -0.04 2.34 2.31 2eneA10 LYS 39 H 0.01 -0.02 0.21 -0.55 8.42 8.06 2eneA10 LYS 39 HA 0.01 0.13 0.49 -0.75 4.32 4.20 2eneA10 LYS 39 HB2 0.01 0.04 0.11 -0.04 1.87 1.98 2eneA10 LYS 39 HB3 0.01 -0.04 0.17 -0.04 1.79 1.89 2eneA10 LYS 39 HG2 0.01 -0.10 0.13 -0.04 1.46 1.45 2eneA10 LYS 39 HG3 0.01 0.12 -0.12 -0.04 1.46 1.43 2eneA10 LYS 39 HD2 0.00 -0.02 0.07 -0.04 1.69 1.70 2eneA10 LYS 39 HD3 0.01 -0.05 0.03 -0.04 1.68 1.62 2eneA10 LYS 39 HE2 0.00 0.05 0.01 -0.04 2.99 3.01 2eneA10 LYS 39 HE3 0.00 0.02 0.03 -0.04 2.99 3.00 2eneA10 PRO 40 HA 0.01 0.05 0.41 -0.51 4.44 4.40 2eneA10 PRO 40 HB2 0.00 -0.08 -0.04 -0.04 2.28 2.12 2eneA10 PRO 40 HB3 0.00 0.04 0.10 -0.04 2.02 2.12 2eneA10 PRO 40 HG2 0.00 0.01 0.03 -0.04 2.03 2.04 2eneA10 PRO 40 HG3 0.00 0.03 0.07 -0.04 2.03 2.10 2eneA10 PRO 40 HD2 0.01 0.04 0.23 -0.04 3.68 3.92 2eneA10 PRO 40 HD3 0.01 0.26 0.22 -0.04 3.65 4.09 2eneA10 SER 41 H 0.00 0.04 0.14 -0.55 8.46 8.10 2eneA10 SER 41 HA 0.00 0.21 0.76 -0.75 4.49 4.72 2eneA10 SER 41 HB2 0.00 -0.06 0.13 -0.04 3.95 3.99 2eneA10 SER 41 HB3 0.00 0.01 0.01 -0.04 3.93 3.91 2eneA10 GLY 42 H 0.00 -0.03 -0.02 -0.55 8.43 7.83 2eneA10 GLY 42 HA2 0.00 0.17 0.41 -0.51 4.01 4.08 2eneA10 GLY 42 HA3 0.00 0.03 0.34 -0.51 4.01 3.87 2eneA10 PRO 43 HA -0.00 0.00 0.46 -0.51 4.44 4.39 2eneA10 PRO 43 HB2 -0.00 0.08 0.14 -0.04 2.28 2.46 2eneA10 PRO 43 HB3 -0.00 0.01 0.10 -0.04 2.02 2.09 2eneA10 PRO 43 HG2 0.00 0.06 0.10 -0.04 2.03 2.15 2eneA10 PRO 43 HG3 0.00 0.06 0.05 -0.04 2.03 2.10 2eneA10 PRO 43 HD2 0.00 0.17 0.01 -0.04 3.68 3.82 2eneA10 PRO 43 HD3 0.00 0.05 -0.06 -0.04 3.65 3.60 2eneA10 SER 44 H -0.00 0.18 0.38 -0.55 8.46 8.47 2eneA10 SER 44 HA -0.00 0.20 0.89 -0.75 4.49 4.82 2eneA10 SER 44 HB2 -0.00 -0.02 0.14 -0.04 3.95 4.03 2eneA10 SER 44 HB3 -0.00 -0.02 -0.00 -0.04 3.93 3.86 2eneA10 SER 45 H -0.00 -0.05 0.18 -0.55 8.46 8.04 2eneA10 SER 45 HA -0.00 0.07 0.36 -0.75 4.49 4.17 2eneA10 SER 45 HB2 -0.00 0.00 0.14 -0.04 3.95 4.05 2eneA10 SER 45 HB3 -0.00 -0.00 0.16 -0.04 3.93 4.04 2eneA10 GLY 46 H -0.00 0.23 0.07 -0.55 8.43 8.18 2eneA10 GLY 46 HA2 -0.00 0.08 0.17 -0.51 4.01 3.75 2eneA10 GLY 46 HA3 -0.00 0.18 0.24 -0.51 4.01 3.92