============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. HIS 20 0.900 37.006 -0.723 15.793 -99.200 -91.000 TYR 24 0.840 36.400 -1.588 5.513 -99.200 -91.000 HIS 32 0.900 29.679 -3.137 -8.611 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dgzA10 MET 1 HA 0.00 -0.05 0.17 -0.75 4.52 3.89 1dgzA10 MET 1 HB2 -0.00 -0.11 0.06 -0.04 2.15 2.06 1dgzA10 MET 1 HB3 0.01 0.09 0.09 -0.04 2.03 2.18 1dgzA10 MET 1 HG2 0.01 0.07 -0.14 -0.04 2.63 2.52 1dgzA10 MET 1 HG3 0.00 -0.02 -0.09 -0.04 2.56 2.41 1dgzA10 MET 1 HE3 -0.04 -0.01 -0.09 -0.04 2.10 1.92 1dgzA10 LYS 2 H -0.01 0.13 -0.00 -0.55 8.42 7.98 1dgzA10 LYS 2 HA -0.01 0.07 0.57 -0.75 4.32 4.20 1dgzA10 LYS 2 HB2 -0.01 -0.03 0.02 -0.04 1.87 1.80 1dgzA10 LYS 2 HB3 -0.00 0.21 -0.15 -0.04 1.79 1.80 1dgzA10 LYS 2 HG2 -0.00 -0.07 0.04 -0.04 1.46 1.39 1dgzA10 LYS 2 HG3 -0.00 -0.03 0.07 -0.04 1.46 1.45 1dgzA10 LYS 2 HD2 -0.00 0.10 -0.16 -0.04 1.69 1.58 1dgzA10 LYS 2 HD3 -0.00 -0.02 -0.04 -0.04 1.68 1.58 1dgzA10 LYS 2 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.91 1dgzA10 LYS 2 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.92 1dgzA10 VAL 3 H -0.02 0.22 0.17 -0.55 8.24 8.06 1dgzA10 VAL 3 HA -0.01 0.23 0.90 -0.75 4.13 4.49 1dgzA10 VAL 3 HB -0.03 -0.05 0.07 -0.04 2.12 2.07 1dgzA10 VAL 3 HG13 -0.02 -0.01 -0.02 -0.04 0.97 0.88 1dgzA10 VAL 3 HG23 -0.02 0.02 -0.18 -0.04 0.95 0.74 1dgzA10 ARG 4 H -0.01 0.19 0.10 -0.55 8.46 8.17 1dgzA10 ARG 4 HA -0.01 0.12 0.43 -0.75 4.34 4.12 1dgzA10 ARG 4 HB2 -0.01 -0.01 0.20 -0.04 1.90 2.04 1dgzA10 ARG 4 HB3 -0.01 0.02 0.22 -0.04 1.80 2.00 1dgzA10 ARG 4 HG2 -0.01 0.02 0.05 -0.04 1.67 1.69 1dgzA10 ARG 4 HG3 -0.01 0.03 -0.01 -0.04 1.67 1.64 1dgzA10 ARG 4 HD2 -0.01 0.05 -0.00 -0.04 3.22 3.22 1dgzA10 ARG 4 HD3 -0.01 -0.11 0.08 -0.04 3.22 3.14 1dgzA10 ALA 5 H -0.02 0.74 -0.31 -0.55 8.40 8.26 1dgzA10 ALA 5 HA -0.02 0.19 0.85 -0.75 4.34 4.61 1dgzA10 ALA 5 HB3 -0.04 0.01 -0.01 -0.04 1.41 1.33 1dgzA10 SER 6 H -0.01 0.22 -0.00 -0.55 8.46 8.12 1dgzA10 SER 6 HA -0.02 0.04 0.44 -0.75 4.49 4.20 1dgzA10 SER 6 HB2 -0.01 0.02 0.18 -0.04 3.95 4.10 1dgzA10 SER 6 HB3 -0.02 0.05 0.13 -0.04 3.93 4.05 1dgzA10 VAL 7 H -0.02 0.60 0.23 -0.55 8.24 8.50 1dgzA10 VAL 7 HA -0.01 0.07 0.29 -0.75 4.13 3.72 1dgzA10 VAL 7 HB -0.03 0.10 0.02 -0.04 2.12 2.18 1dgzA10 VAL 7 HG13 -0.01 -0.00 -0.25 -0.04 0.97 0.67 1dgzA10 VAL 7 HG23 -0.04 -0.01 -0.39 -0.04 0.95 0.46 1dgzA10 LYS 8 H -0.01 -0.05 -0.33 -0.55 8.42 7.47 1dgzA10 LYS 8 HA -0.01 -0.06 0.30 -0.75 4.32 3.80 1dgzA10 LYS 8 HB2 -0.02 0.06 0.01 -0.04 1.87 1.89 1dgzA10 LYS 8 HB3 -0.01 -0.05 0.07 -0.04 1.79 1.76 1dgzA10 LYS 8 HG2 -0.02 -0.13 -0.16 -0.04 1.46 1.11 1dgzA10 LYS 8 HG3 -0.03 0.15 -0.17 -0.04 1.46 1.37 1dgzA10 LYS 8 HD2 -0.02 0.01 -0.04 -0.04 1.69 1.59 1dgzA10 LYS 8 HD3 -0.02 0.02 -0.03 -0.04 1.68 1.61 1dgzA10 LYS 8 HE2 -0.01 -0.03 0.00 -0.04 2.99 2.91 1dgzA10 LYS 8 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.90 1dgzA10 ARG 9 H -0.01 -0.00 0.13 -0.55 8.46 8.03 1dgzA10 ARG 9 HA -0.01 0.01 0.34 -0.75 4.34 3.93 1dgzA10 ARG 9 HB2 -0.01 0.02 -0.03 -0.04 1.90 1.84 1dgzA10 ARG 9 HB3 -0.00 -0.02 0.07 -0.04 1.80 1.81 1dgzA10 ARG 9 HG2 0.01 0.03 0.05 -0.04 1.67 1.72 1dgzA10 ARG 9 HG3 0.00 -0.03 0.09 -0.04 1.67 1.69 1dgzA10 ARG 9 HD2 0.01 0.04 0.01 -0.04 3.22 3.24 1dgzA10 ARG 9 HD3 0.02 0.02 -0.09 -0.04 3.22 3.13 1dgzA10 ILE 10 H -0.11 -0.05 0.18 -0.55 8.25 7.72 1dgzA10 ILE 10 HA -0.15 0.23 0.77 -0.75 4.18 4.27 1dgzA10 ILE 10 HB -0.95 -0.19 0.18 -0.04 1.89 0.90 1dgzA10 ILE 10 HG12 -0.15 0.11 -0.11 -0.04 1.49 1.30 1dgzA10 ILE 10 HG13 -0.15 0.06 -0.04 -0.04 1.21 1.04 1dgzA10 ILE 10 HG23 -0.50 -0.01 -0.12 -0.04 0.93 0.27 1dgzA10 ILE 10 HD13 -0.13 -0.02 -0.08 -0.04 0.88 0.62 1dgzA10 CYS 11 H -0.16 -0.06 0.16 -0.55 8.50 7.90 1dgzA10 CYS 11 HA -0.02 0.32 0.83 -0.75 4.58 4.96 1dgzA10 CYS 11 HB2 0.08 0.05 0.15 -0.04 2.97 3.21 1dgzA10 CYS 11 HB3 0.14 0.05 0.01 -0.04 2.97 3.13 1dgzA10 ASP 12 H 0.03 0.18 0.11 -0.55 8.40 8.18 1dgzA10 ASP 12 HA 0.02 0.21 0.57 -0.75 4.63 4.67 1dgzA10 ASP 12 HB2 0.02 -0.02 0.11 -0.04 2.71 2.78 1dgzA10 ASP 12 HB3 0.01 0.05 0.20 -0.04 2.70 2.93 1dgzA10 LYS 13 H 0.07 -0.09 -0.60 -0.55 8.42 7.24 1dgzA10 LYS 13 HA 0.03 0.29 0.87 -0.75 4.32 4.75 1dgzA10 LYS 13 HB2 0.07 -0.10 0.01 -0.04 1.87 1.81 1dgzA10 LYS 13 HB3 0.03 -0.09 0.11 -0.04 1.79 1.80 1dgzA10 LYS 13 HG2 0.02 0.00 -0.02 -0.04 1.46 1.42 1dgzA10 LYS 13 HG3 0.02 0.23 -0.11 -0.04 1.46 1.56 1dgzA10 LYS 13 HD2 0.04 -0.23 -0.43 -0.04 1.69 1.03 1dgzA10 LYS 13 HD3 0.05 -0.03 -0.07 -0.04 1.68 1.58 1dgzA10 LYS 13 HE2 0.02 0.09 -0.06 -0.04 2.99 2.99 1dgzA10 LYS 13 HE3 0.02 -0.01 -0.04 -0.04 2.99 2.93 1dgzA10 CYS 14 H 0.08 -0.01 0.00 -0.55 8.50 8.02 1dgzA10 CYS 14 HA 0.07 0.13 0.57 -0.75 4.58 4.60 1dgzA10 CYS 14 HB2 0.05 0.06 -0.06 -0.04 2.97 2.98 1dgzA10 CYS 14 HB3 0.11 0.15 -0.05 -0.04 2.97 3.14 1dgzA10 LYS 15 H 0.05 0.71 0.28 -0.55 8.42 8.90 1dgzA10 LYS 15 HA 0.03 0.14 0.90 -0.75 4.32 4.63 1dgzA10 LYS 15 HB2 0.03 0.01 0.20 -0.04 1.87 2.07 1dgzA10 LYS 15 HB3 0.02 -0.01 -0.02 -0.04 1.79 1.75 1dgzA10 LYS 15 HG2 0.02 0.05 -0.17 -0.04 1.46 1.32 1dgzA10 LYS 15 HG3 0.02 0.09 -0.29 -0.04 1.46 1.25 1dgzA10 LYS 15 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.59 1dgzA10 LYS 15 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.59 1dgzA10 LYS 15 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 1dgzA10 LYS 15 HE3 0.01 0.02 -0.02 -0.04 2.99 2.95 1dgzA10 VAL 16 H 0.03 0.15 0.10 -0.55 8.24 7.97 1dgzA10 VAL 16 HA 0.06 0.39 0.80 -0.75 4.13 4.62 1dgzA10 VAL 16 HB 0.03 -0.05 0.20 -0.04 2.12 2.25 1dgzA10 VAL 16 HG13 0.03 0.02 -0.06 -0.04 0.97 0.92 1dgzA10 VAL 16 HG23 0.02 0.01 0.00 -0.04 0.95 0.94 1dgzA10 ILE 17 H 0.12 0.22 0.15 -0.55 8.25 8.20 1dgzA10 ILE 17 HA 0.03 0.13 0.68 -0.75 4.18 4.28 1dgzA10 ILE 17 HB 0.06 -0.03 -0.05 -0.04 1.89 1.83 1dgzA10 ILE 17 HG12 0.04 0.09 -0.17 -0.04 1.49 1.41 1dgzA10 ILE 17 HG13 0.14 -0.10 -0.03 -0.04 1.21 1.18 1dgzA10 ILE 17 HG23 -0.05 0.00 -0.02 -0.04 0.93 0.82 1dgzA10 ILE 17 HD13 -0.05 0.00 -0.04 -0.04 0.88 0.75 1dgzA10 ARG 18 H 0.02 0.18 0.15 -0.55 8.46 8.26 1dgzA10 ARG 18 HA 0.09 0.22 1.00 -0.75 4.34 4.90 1dgzA10 ARG 18 HB2 0.02 -0.04 0.15 -0.04 1.90 1.98 1dgzA10 ARG 18 HB3 0.02 0.06 -0.01 -0.04 1.80 1.82 1dgzA10 ARG 18 HG2 0.04 0.06 -0.14 -0.04 1.67 1.59 1dgzA10 ARG 18 HG3 0.03 0.02 -0.26 -0.04 1.67 1.41 1dgzA10 ARG 18 HD2 0.02 -0.02 -0.06 -0.04 3.22 3.11 1dgzA10 ARG 18 HD3 0.01 -0.02 -0.04 -0.04 3.22 3.14 1dgzA10 ARG 19 H 0.11 0.67 0.26 -0.55 8.46 8.95 1dgzA10 ARG 19 HA -0.07 0.18 0.84 -0.75 4.34 4.54 1dgzA10 ARG 19 HB2 0.02 -0.01 -0.18 -0.04 1.90 1.69 1dgzA10 ARG 19 HB3 0.15 -0.01 -0.03 -0.04 1.80 1.87 1dgzA10 ARG 19 HG2 0.08 0.01 0.02 -0.04 1.67 1.73 1dgzA10 ARG 19 HG3 -0.24 -0.20 0.19 -0.04 1.67 1.38 1dgzA10 ARG 19 HD2 -0.08 0.06 -0.06 -0.04 3.22 3.10 1dgzA10 ARG 19 HD3 -0.09 -0.00 -0.04 -0.04 3.22 3.05 1dgzA10 HIS 20 H -0.40 0.11 0.11 -0.55 8.41 7.69 1dgzA10 HIS 20 HA 0.02 0.04 0.36 -0.75 4.63 4.29 1dgzA10 HIS 20 HB2 0.04 -0.09 0.03 -0.04 3.26 3.21 1dgzA10 HIS 20 HB3 0.02 0.07 0.09 -0.04 3.20 3.34 1dgzA10 HIS 20 HD2 0.02 0.00 0.03 -0.04 6.97 6.98 1dgzA10 HIS 20 HE1 0.01 0.01 0.03 -0.04 7.75 7.75 1dgzA10 GLY 21 H 0.19 0.01 -0.03 -0.55 8.43 8.05 1dgzA10 GLY 21 HA2 0.06 0.22 0.81 -0.51 4.01 4.59 1dgzA10 GLY 21 HA3 0.06 -0.05 0.38 -0.51 4.01 3.89 1dgzA10 ARG 22 H 0.11 0.47 0.00 -0.55 8.46 8.49 1dgzA10 ARG 22 HA 0.01 0.14 0.80 -0.75 4.34 4.53 1dgzA10 ARG 22 HB2 0.17 -0.18 -0.08 -0.04 1.90 1.77 1dgzA10 ARG 22 HB3 0.04 0.12 -0.04 -0.04 1.80 1.88 1dgzA10 ARG 22 HG2 -0.04 0.11 0.13 -0.04 1.67 1.83 1dgzA10 ARG 22 HG3 0.02 0.21 -0.16 -0.04 1.67 1.70 1dgzA10 ARG 22 HD2 0.10 -0.12 -0.11 -0.04 3.22 3.05 1dgzA10 ARG 22 HD3 0.05 0.04 -0.04 -0.04 3.22 3.23 1dgzA10 VAL 23 H -0.08 0.20 0.21 -0.55 8.24 8.02 1dgzA10 VAL 23 HA 0.13 0.33 1.06 -0.75 4.13 4.90 1dgzA10 VAL 23 HB -0.04 -0.11 0.09 -0.04 2.12 2.02 1dgzA10 VAL 23 HG13 0.03 0.06 0.03 -0.04 0.97 1.05 1dgzA10 VAL 23 HG23 0.01 0.01 -0.12 -0.04 0.95 0.82 1dgzA10 TYR 24 H 0.19 0.54 0.39 -0.55 8.29 8.85 1dgzA10 TYR 24 HA 0.01 0.05 0.90 -0.75 4.56 4.77 1dgzA10 TYR 24 HB2 0.01 -0.07 0.08 -0.04 3.06 3.04 1dgzA10 TYR 24 HB3 0.01 0.02 0.09 -0.04 2.98 3.07 1dgzA10 TYR 24 HD2 0.01 0.02 -0.27 -0.04 7.15 6.88 1dgzA10 TYR 24 HE2 0.02 -0.03 -0.15 -0.04 6.85 6.65 1dgzA10 VAL 25 H 0.16 0.45 0.13 -0.55 8.24 8.43 1dgzA10 VAL 25 HA 0.07 0.13 0.68 -0.75 4.13 4.27 1dgzA10 VAL 25 HB 0.05 -0.07 0.07 -0.04 2.12 2.13 1dgzA10 VAL 25 HG13 0.06 -0.01 -0.07 -0.04 0.97 0.90 1dgzA10 VAL 25 HG23 0.02 -0.04 -0.37 -0.04 0.95 0.52 1dgzA10 ILE 26 H 0.07 0.47 0.25 -0.55 8.25 8.49 1dgzA10 ILE 26 HA 0.06 0.20 0.96 -0.75 4.18 4.64 1dgzA10 ILE 26 HB 0.03 0.02 0.03 -0.04 1.89 1.92 1dgzA10 ILE 26 HG12 0.04 0.05 0.15 -0.04 1.49 1.69 1dgzA10 ILE 26 HG13 0.03 -0.05 0.14 -0.04 1.21 1.29 1dgzA10 ILE 26 HG23 0.06 -0.01 -0.09 -0.04 0.93 0.86 1dgzA10 ILE 26 HD13 0.00 -0.00 -0.03 -0.04 0.88 0.81 1dgzA10 CYS 27 H 0.03 0.30 0.05 -0.55 8.50 8.33 1dgzA10 CYS 27 HA 0.03 0.27 0.74 -0.75 4.58 4.86 1dgzA10 CYS 27 HB2 0.11 0.00 -0.32 -0.04 2.97 2.72 1dgzA10 CYS 27 HB3 0.01 0.20 -0.11 -0.04 2.97 3.02 1dgzA10 GLU 28 H -0.00 0.22 0.06 -0.55 8.60 8.34 1dgzA10 GLU 28 HA -0.02 0.08 0.33 -0.75 4.29 3.92 1dgzA10 GLU 28 HB2 -0.01 0.06 0.14 -0.04 2.09 2.23 1dgzA10 GLU 28 HB3 -0.02 -0.10 0.10 -0.04 1.99 1.93 1dgzA10 GLU 28 HG2 -0.02 -0.01 -0.02 -0.04 2.34 2.24 1dgzA10 GLU 28 HG3 -0.03 0.02 -0.06 -0.04 2.34 2.23 1dgzA10 ASN 29 H -0.12 -0.06 -0.34 -0.55 8.53 7.47 1dgzA10 ASN 29 HA -0.16 0.15 0.47 -0.75 4.76 4.47 1dgzA10 ASN 29 HB2 -0.29 -0.00 0.06 -0.04 2.88 2.60 1dgzA10 ASN 29 HB3 -1.07 -0.09 0.05 -0.04 2.79 1.64 1dgzA10 ASN 29 HD21 -0.09 -0.02 -0.01 -0.04 7.03 6.88 1dgzA10 ASN 29 HD22 -0.05 0.06 -0.01 -0.04 7.74 7.70 1dgzA10 PRO 30 HA -0.04 0.16 0.40 -0.51 4.44 4.45 1dgzA10 PRO 30 HB2 -0.02 0.04 0.03 -0.04 2.28 2.28 1dgzA10 PRO 30 HB3 -0.03 0.08 0.14 -0.04 2.02 2.17 1dgzA10 PRO 30 HG2 -0.05 -0.01 0.08 -0.04 2.03 2.01 1dgzA10 PRO 30 HG3 -0.03 0.07 0.11 -0.04 2.03 2.13 1dgzA10 PRO 30 HD2 -0.10 -0.00 0.27 -0.04 3.68 3.80 1dgzA10 PRO 30 HD3 -0.07 0.35 0.33 -0.04 3.65 4.21 1dgzA10 LYS 31 H -0.15 0.07 -0.32 -0.55 8.42 7.46 1dgzA10 LYS 31 HA 0.04 0.12 0.37 -0.75 4.32 4.10 1dgzA10 LYS 31 HB2 0.01 -0.06 -0.03 -0.04 1.87 1.75 1dgzA10 LYS 31 HB3 0.15 0.05 0.02 -0.04 1.79 1.97 1dgzA10 LYS 31 HG2 -0.04 -0.07 0.03 -0.04 1.46 1.34 1dgzA10 LYS 31 HG3 0.02 0.02 0.01 -0.04 1.46 1.46 1dgzA10 LYS 31 HD2 0.04 0.03 0.01 -0.04 1.69 1.73 1dgzA10 LYS 31 HD3 0.02 0.03 -0.05 -0.04 1.68 1.64 1dgzA10 LYS 31 HE2 0.01 0.02 -0.02 -0.04 2.99 2.97 1dgzA10 LYS 31 HE3 -0.00 -0.02 -0.01 -0.04 2.99 2.92 1dgzA10 HIS 32 H -0.17 0.27 -0.49 -0.55 8.41 7.48 1dgzA10 HIS 32 HA 0.01 0.20 0.63 -0.75 4.63 4.71 1dgzA10 HIS 32 HB2 0.01 0.05 -0.04 -0.04 3.26 3.24 1dgzA10 HIS 32 HB3 0.01 -0.07 0.12 -0.04 3.20 3.22 1dgzA10 HIS 32 HD2 0.01 -0.14 0.02 -0.04 6.97 6.81 1dgzA10 HIS 32 HE1 0.00 0.06 -0.08 -0.04 7.75 7.69 1dgzA10 LYS 33 H 0.06 0.32 -0.55 -0.55 8.42 7.70 1dgzA10 LYS 33 HA 0.06 0.17 0.72 -0.75 4.32 4.51 1dgzA10 LYS 33 HB2 0.03 -0.07 0.20 -0.04 1.87 2.00 1dgzA10 LYS 33 HB3 0.02 0.00 0.22 -0.04 1.79 1.99 1dgzA10 LYS 33 HG2 0.03 -0.05 0.20 -0.04 1.46 1.60 1dgzA10 LYS 33 HG3 0.02 -0.06 0.13 -0.04 1.46 1.51 1dgzA10 LYS 33 HD2 0.03 0.18 0.09 -0.04 1.69 1.95 1dgzA10 LYS 33 HD3 0.05 -0.08 -0.31 -0.04 1.68 1.30 1dgzA10 LYS 33 HE2 0.03 -0.04 0.00 -0.04 2.99 2.94 1dgzA10 LYS 33 HE3 0.02 -0.06 -0.01 -0.04 2.99 2.90 1dgzA10 GLN 34 H 0.07 0.66 -0.04 -0.55 8.47 8.60 1dgzA10 GLN 34 HA 0.02 0.06 0.45 -0.75 4.36 4.14 1dgzA10 GLN 34 HB2 0.02 0.01 -0.04 -0.04 2.15 2.10 1dgzA10 GLN 34 HB3 0.00 -0.11 -0.05 -0.04 2.02 1.82 1dgzA10 GLN 34 HG2 0.06 -0.04 -0.26 -0.04 2.40 2.12 1dgzA10 GLN 34 HG3 0.02 0.10 -0.04 -0.04 2.39 2.43 1dgzA10 GLN 34 HE21 -0.00 0.12 -0.10 -0.04 6.97 6.95 1dgzA10 GLN 34 HE22 0.01 -0.07 -0.04 -0.04 7.69 7.55 1dgzA10 ARG 35 H -0.03 0.17 0.01 -0.55 8.46 8.06 1dgzA10 ARG 35 HA -0.16 -0.02 0.68 -0.75 4.34 4.09 1dgzA10 ARG 35 HB2 -0.02 0.06 -0.01 -0.04 1.90 1.88 1dgzA10 ARG 35 HB3 -0.03 -0.01 -0.17 -0.04 1.80 1.55 1dgzA10 ARG 35 HG2 -0.07 -0.01 -0.11 -0.04 1.67 1.44 1dgzA10 ARG 35 HG3 -0.13 -0.12 -0.23 -0.04 1.67 1.15 1dgzA10 ARG 35 HD2 -0.45 0.11 -0.67 -0.04 3.22 2.16 1dgzA10 ARG 35 HD3 -1.11 -0.01 -0.00 -0.04 3.22 2.06 1dgzA10 GLN 36 H -0.26 0.39 0.03 -0.55 8.47 8.08 1dgzA10 GLN 36 HA -0.09 -0.00 0.63 -0.75 4.36 4.14 1dgzA10 GLN 36 HB2 -0.08 -0.01 -0.01 -0.04 2.15 2.00 1dgzA10 GLN 36 HB3 -0.11 -0.12 0.18 -0.04 2.02 1.93 1dgzA10 GLN 36 HG2 -0.05 -0.04 -0.02 -0.04 2.40 2.25 1dgzA10 GLN 36 HG3 -0.05 0.04 0.09 -0.04 2.39 2.43 1dgzA10 GLN 36 HE21 -0.03 -0.03 -0.04 -0.04 6.97 6.83 1dgzA10 GLN 36 HE22 -0.01 0.06 -0.03 -0.04 7.69 7.66 1dgzA10 GLY 37 H -0.08 0.10 0.08 -0.55 8.43 7.98 1dgzA10 GLY 37 HA2 -0.05 0.02 0.15 -0.51 4.01 3.62 1dgzA10 GLY 37 HA3 -0.10 0.25 0.68 -0.51 4.01 4.34