============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. HIS 5 0.900 1.705 7.303 -10.062 -99.200 -91.000 TYR 16 0.840 -2.772 6.101 11.781 -99.200 -91.000 HIS 35 0.900 -9.444 1.438 -4.517 -99.200 -91.000 HIS 59 0.900 11.820 -5.256 8.729 -99.200 -91.000 TYR 79 0.840 -3.224 -7.767 -3.716 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cz2A11 ILE 1 HA 0.03 -0.09 0.15 -0.75 4.18 3.52 1cz2A11 ILE 1 HB 0.03 -0.06 0.02 -0.04 1.89 1.84 1cz2A11 ILE 1 HG12 0.07 -0.03 -0.32 -0.04 1.49 1.18 1cz2A11 ILE 1 HG13 0.04 0.05 -0.07 -0.04 1.21 1.19 1cz2A11 ILE 1 HG23 0.02 0.01 -0.01 -0.04 0.93 0.92 1cz2A11 ILE 1 HD13 0.12 0.01 -0.09 -0.04 0.88 0.88 1cz2A11 ASP 2 H 0.03 0.12 0.05 -0.55 8.40 8.06 1cz2A11 ASP 2 HA 0.03 0.07 0.32 -0.75 4.63 4.30 1cz2A11 ASP 2 HB2 0.10 0.09 -0.16 -0.04 2.71 2.69 1cz2A11 ASP 2 HB3 0.05 -0.02 0.12 -0.04 2.70 2.81 1cz2A11 CYS 3 H 0.03 0.08 -0.12 -0.55 8.50 7.94 1cz2A11 CYS 3 HA 0.02 0.05 0.26 -0.75 4.58 4.16 1cz2A11 CYS 3 HB2 0.02 0.12 0.10 -0.04 2.97 3.17 1cz2A11 CYS 3 HB3 0.02 -0.02 0.17 -0.04 2.97 3.10 1cz2A11 GLY 4 H 0.03 0.06 0.37 -0.55 8.43 8.34 1cz2A11 GLY 4 HA2 0.02 0.04 0.49 -0.51 4.01 4.06 1cz2A11 GLY 4 HA3 0.03 0.11 0.25 -0.51 4.01 3.90 1cz2A11 HIS 5 H 0.11 0.55 0.25 -0.55 8.41 8.77 1cz2A11 HIS 5 HA 0.00 0.07 0.62 -0.75 4.63 4.57 1cz2A11 HIS 5 HB2 0.00 -0.01 0.13 -0.04 3.26 3.34 1cz2A11 HIS 5 HB3 0.00 0.11 0.20 -0.04 3.20 3.47 1cz2A11 HIS 5 HD2 0.01 0.05 -0.10 -0.04 6.97 6.88 1cz2A11 HIS 5 HE1 0.01 0.01 -0.04 -0.04 7.75 7.68 1cz2A11 VAL 6 H 0.01 0.37 0.08 -0.55 8.24 8.15 1cz2A11 VAL 6 HA -0.20 0.10 0.40 -0.75 4.13 3.67 1cz2A11 VAL 6 HB -0.01 -0.16 0.10 -0.04 2.12 2.01 1cz2A11 VAL 6 HG13 -0.03 0.01 -0.12 -0.04 0.97 0.79 1cz2A11 VAL 6 HG23 -0.00 0.05 0.05 -0.04 0.95 1.01 1cz2A11 ASP 7 H -0.02 -0.06 -0.27 -0.55 8.40 7.50 1cz2A11 ASP 7 HA -0.03 0.02 0.25 -0.75 4.63 4.12 1cz2A11 ASP 7 HB2 -0.00 -0.03 0.03 -0.04 2.71 2.66 1cz2A11 ASP 7 HB3 -0.00 0.11 0.12 -0.04 2.70 2.89 1cz2A11 SER 8 H -0.02 0.68 -0.08 -0.55 8.46 8.50 1cz2A11 SER 8 HA -0.01 -0.04 0.36 -0.75 4.49 4.05 1cz2A11 SER 8 HB2 0.03 0.00 0.18 -0.04 3.95 4.11 1cz2A11 SER 8 HB3 0.01 0.11 0.19 -0.04 3.93 4.19 1cz2A11 LEU 9 H -0.12 0.52 -0.22 -0.55 8.37 8.00 1cz2A11 LEU 9 HA -0.04 -0.00 0.50 -0.75 4.35 4.05 1cz2A11 LEU 9 HB2 -0.17 0.12 0.14 -0.04 1.64 1.69 1cz2A11 LEU 9 HB3 -0.07 -0.04 0.08 -0.04 1.64 1.56 1cz2A11 LEU 9 HG -0.03 -0.04 0.03 -0.04 1.64 1.56 1cz2A11 LEU 9 HD13 -0.12 0.01 -0.06 -0.04 0.93 0.72 1cz2A11 LEU 9 HD23 -0.12 -0.01 -0.03 -0.04 0.89 0.69 1cz2A11 VAL 10 H -0.05 0.48 -0.08 -0.55 8.24 8.04 1cz2A11 VAL 10 HA -0.03 0.06 0.61 -0.75 4.13 4.01 1cz2A11 VAL 10 HB -0.03 -0.05 0.02 -0.04 2.12 2.02 1cz2A11 VAL 10 HG13 -0.04 0.02 -0.10 -0.04 0.97 0.81 1cz2A11 VAL 10 HG23 -0.02 0.01 -0.13 -0.04 0.95 0.77 1cz2A11 ARG 11 H -0.02 0.54 -0.13 -0.55 8.46 8.30 1cz2A11 ARG 11 HA -0.00 -0.03 0.27 -0.75 4.34 3.82 1cz2A11 ARG 11 HB2 -0.00 0.13 0.13 -0.04 1.90 2.11 1cz2A11 ARG 11 HB3 0.00 -0.06 0.03 -0.04 1.80 1.72 1cz2A11 ARG 11 HG2 -0.01 0.15 -0.03 -0.04 1.67 1.75 1cz2A11 ARG 11 HG3 0.00 -0.05 0.01 -0.04 1.67 1.59 1cz2A11 ARG 11 HD2 -0.00 -0.01 -0.01 -0.04 3.22 3.16 1cz2A11 ARG 11 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.09 1cz2A11 PRO 12 HA 0.01 0.03 0.48 -0.51 4.44 4.45 1cz2A11 PRO 12 HB2 0.01 -0.16 0.00 -0.04 2.28 2.08 1cz2A11 PRO 12 HB3 0.00 -0.00 0.09 -0.04 2.02 2.07 1cz2A11 PRO 12 HG2 -0.00 0.16 -0.06 -0.04 2.03 2.09 1cz2A11 PRO 12 HG3 -0.00 -0.01 -0.09 -0.04 2.03 1.89 1cz2A11 PRO 12 HD2 -0.01 0.24 -0.35 -0.04 3.68 3.51 1cz2A11 PRO 12 HD3 -0.00 0.08 0.06 -0.04 3.65 3.75 1cz2A11 CYS 13 H -0.00 0.40 -0.27 -0.55 8.50 8.07 1cz2A11 CYS 13 HA 0.02 -0.04 0.54 -0.75 4.58 4.33 1cz2A11 CYS 13 HB2 -0.02 0.07 0.10 -0.04 2.97 3.08 1cz2A11 CYS 13 HB3 -0.02 -0.03 0.01 -0.04 2.97 2.88 1cz2A11 LEU 14 H -0.00 0.66 -0.13 -0.55 8.37 8.36 1cz2A11 LEU 14 HA 0.00 -0.03 0.20 -0.75 4.35 3.77 1cz2A11 LEU 14 HB2 -0.00 -0.01 0.04 -0.04 1.64 1.63 1cz2A11 LEU 14 HB3 0.01 0.03 0.05 -0.04 1.64 1.68 1cz2A11 LEU 14 HG -0.00 -0.04 -0.06 -0.04 1.64 1.49 1cz2A11 LEU 14 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.84 1cz2A11 LEU 14 HD23 0.01 0.00 -0.11 -0.04 0.89 0.74 1cz2A11 SER 15 H 0.02 0.24 -0.38 -0.55 8.46 7.79 1cz2A11 SER 15 HA 0.03 0.02 0.29 -0.75 4.49 4.07 1cz2A11 SER 15 HB2 0.02 0.01 0.02 -0.04 3.95 3.96 1cz2A11 SER 15 HB3 0.02 -0.03 0.13 -0.04 3.93 4.00 1cz2A11 TYR 16 H 0.14 0.17 -0.04 -0.55 8.29 8.01 1cz2A11 TYR 16 HA -0.01 -0.04 0.11 -0.75 4.56 3.87 1cz2A11 TYR 16 HB2 -0.01 0.10 -0.18 -0.04 3.06 2.94 1cz2A11 TYR 16 HB3 -0.01 0.00 -0.09 -0.04 2.98 2.84 1cz2A11 TYR 16 HD2 -0.01 -0.10 -0.48 -0.04 7.15 6.52 1cz2A11 TYR 16 HE2 -0.01 -0.04 -0.07 -0.04 6.85 6.69 1cz2A11 VAL 17 H 0.05 0.50 -0.19 -0.55 8.24 8.06 1cz2A11 VAL 17 HA -0.05 -0.05 0.29 -0.75 4.13 3.57 1cz2A11 VAL 17 HB -0.00 0.09 -0.08 -0.04 2.12 2.09 1cz2A11 VAL 17 HG13 -0.03 -0.03 -0.24 -0.04 0.97 0.64 1cz2A11 VAL 17 HG23 -0.04 -0.01 -0.13 -0.04 0.95 0.73 1cz2A11 GLN 18 H 0.04 0.72 -0.35 -0.55 8.47 8.34 1cz2A11 GLN 18 HA 0.02 -0.14 0.70 -0.75 4.36 4.19 1cz2A11 GLN 18 HB2 0.01 -0.07 0.06 -0.04 2.15 2.12 1cz2A11 GLN 18 HB3 0.03 0.11 0.15 -0.04 2.02 2.27 1cz2A11 GLN 18 HG2 0.02 -0.00 0.04 -0.04 2.40 2.42 1cz2A11 GLN 18 HG3 0.01 0.01 0.10 -0.04 2.39 2.47 1cz2A11 GLN 18 HE21 0.02 0.28 0.09 -0.04 6.97 7.32 1cz2A11 GLN 18 HE22 0.02 -0.13 0.04 -0.04 7.69 7.58 1cz2A11 GLY 19 H 0.09 0.75 0.18 -0.55 8.43 8.91 1cz2A11 GLY 19 HA2 0.17 0.02 0.39 -0.51 4.01 4.09 1cz2A11 GLY 19 HA3 0.05 -0.02 0.50 -0.51 4.01 4.03 1cz2A11 GLY 20 H -0.15 0.23 0.19 -0.55 8.43 8.15 1cz2A11 GLY 20 HA2 -0.16 -0.01 0.35 -0.51 4.01 3.68 1cz2A11 GLY 20 HA3 -0.12 0.10 0.35 -0.51 4.01 3.83 1cz2A11 PRO 21 HA -0.49 0.16 0.58 -0.51 4.44 4.17 1cz2A11 PRO 21 HB2 -0.10 -0.00 0.08 -0.04 2.28 2.22 1cz2A11 PRO 21 HB3 -0.15 0.02 0.07 -0.04 2.02 1.92 1cz2A11 PRO 21 HG2 -0.08 -0.00 -0.10 -0.04 2.03 1.81 1cz2A11 PRO 21 HG3 -0.08 0.03 0.03 -0.04 2.03 1.98 1cz2A11 PRO 21 HD2 -0.11 0.11 0.17 -0.04 3.68 3.82 1cz2A11 PRO 21 HD3 -0.14 0.13 0.16 -0.04 3.65 3.76 1cz2A11 GLY 22 H -0.03 0.11 0.09 -0.55 8.43 8.06 1cz2A11 GLY 22 HA2 0.05 0.02 0.27 -0.51 4.01 3.84 1cz2A11 GLY 22 HA3 0.05 -0.10 0.21 -0.51 4.01 3.66 1cz2A11 PRO 23 HA 0.11 0.27 0.44 -0.51 4.44 4.75 1cz2A11 PRO 23 HB2 0.05 -0.01 0.05 -0.04 2.28 2.33 1cz2A11 PRO 23 HB3 0.13 -0.00 0.14 -0.04 2.02 2.24 1cz2A11 PRO 23 HG2 0.03 0.02 -0.12 -0.04 2.03 1.91 1cz2A11 PRO 23 HG3 0.00 0.04 -0.02 -0.04 2.03 2.01 1cz2A11 PRO 23 HD2 0.05 0.15 0.23 -0.04 3.68 4.07 1cz2A11 PRO 23 HD3 0.07 0.08 0.09 -0.04 3.65 3.85 1cz2A11 SER 24 H 0.03 0.20 0.13 -0.55 8.46 8.27 1cz2A11 SER 24 HA 0.02 0.09 0.33 -0.75 4.49 4.16 1cz2A11 SER 24 HB2 0.01 0.13 0.17 -0.04 3.95 4.22 1cz2A11 SER 24 HB3 0.01 -0.07 0.11 -0.04 3.93 3.94 1cz2A11 GLY 25 H 0.01 0.16 0.19 -0.55 8.43 8.25 1cz2A11 GLY 25 HA2 0.01 0.18 0.50 -0.51 4.01 4.19 1cz2A11 GLY 25 HA3 0.01 0.07 0.36 -0.51 4.01 3.94 1cz2A11 GLN 26 H 0.01 0.05 -0.21 -0.55 8.47 7.78 1cz2A11 GLN 26 HA 0.01 0.07 0.40 -0.75 4.36 4.08 1cz2A11 GLN 26 HB2 0.01 -0.05 0.06 -0.04 2.15 2.12 1cz2A11 GLN 26 HB3 0.00 0.09 -0.00 -0.04 2.02 2.07 1cz2A11 GLN 26 HG2 0.01 0.04 0.04 -0.04 2.40 2.45 1cz2A11 GLN 26 HG3 0.01 -0.07 0.07 -0.04 2.39 2.36 1cz2A11 GLN 26 HE21 0.01 -0.01 0.02 -0.04 6.97 6.95 1cz2A11 GLN 26 HE22 0.01 0.03 0.02 -0.04 7.69 7.70 1cz2A11 CYS 27 H 0.01 0.08 -0.35 -0.55 8.50 7.69 1cz2A11 CYS 27 HA -0.01 0.12 0.44 -0.75 4.58 4.37 1cz2A11 CYS 27 HB2 0.01 -0.12 -0.33 -0.04 2.97 2.48 1cz2A11 CYS 27 HB3 0.01 0.18 -0.15 -0.04 2.97 2.97 1cz2A11 CYS 28 H 0.00 0.38 -0.21 -0.55 8.50 8.13 1cz2A11 CYS 28 HA -0.01 0.12 0.44 -0.75 4.58 4.37 1cz2A11 CYS 28 HB2 -0.00 -0.07 0.18 -0.04 2.97 3.05 1cz2A11 CYS 28 HB3 -0.01 0.13 0.12 -0.04 2.97 3.18 1cz2A11 ASP 29 H 0.00 0.63 -0.06 -0.55 8.40 8.43 1cz2A11 ASP 29 HA 0.00 0.01 0.54 -0.75 4.63 4.43 1cz2A11 ASP 29 HB2 0.01 -0.03 0.11 -0.04 2.71 2.75 1cz2A11 ASP 29 HB3 0.01 0.09 0.15 -0.04 2.70 2.91 1cz2A11 GLY 30 H -0.00 0.66 -0.08 -0.55 8.43 8.47 1cz2A11 GLY 30 HA2 -0.01 -0.11 0.42 -0.51 4.01 3.80 1cz2A11 GLY 30 HA3 -0.01 0.11 0.35 -0.51 4.01 3.95 1cz2A11 VAL 31 H -0.01 0.63 -0.19 -0.55 8.24 8.12 1cz2A11 VAL 31 HA -0.02 -0.06 0.35 -0.75 4.13 3.65 1cz2A11 VAL 31 HB -0.04 0.25 0.24 -0.04 2.12 2.52 1cz2A11 VAL 31 HG13 -0.09 0.00 -0.13 -0.04 0.97 0.71 1cz2A11 VAL 31 HG23 -0.04 0.01 -0.12 -0.04 0.95 0.75 1cz2A11 LYS 32 H -0.01 0.45 0.01 -0.55 8.42 8.32 1cz2A11 LYS 32 HA -0.02 0.05 0.27 -0.75 4.32 3.87 1cz2A11 LYS 32 HB2 0.06 -0.05 0.02 -0.04 1.87 1.86 1cz2A11 LYS 32 HB3 -0.02 0.03 0.09 -0.04 1.79 1.85 1cz2A11 LYS 32 HG2 0.01 0.18 0.20 -0.04 1.46 1.81 1cz2A11 LYS 32 HG3 0.04 -0.03 -0.04 -0.04 1.46 1.39 1cz2A11 LYS 32 HD2 0.03 -0.05 -0.02 -0.04 1.69 1.60 1cz2A11 LYS 32 HD3 0.01 0.01 0.02 -0.04 1.68 1.68 1cz2A11 LYS 32 HE2 0.01 -0.05 0.00 -0.04 2.99 2.92 1cz2A11 LYS 32 HE3 0.01 -0.00 0.04 -0.04 2.99 3.00 1cz2A11 ASN 33 H 0.04 0.51 -0.28 -0.55 8.53 8.26 1cz2A11 ASN 33 HA 0.06 -0.03 0.38 -0.75 4.76 4.42 1cz2A11 ASN 33 HB2 0.02 0.09 0.15 -0.04 2.88 3.09 1cz2A11 ASN 33 HB3 0.05 -0.10 0.02 -0.04 2.79 2.72 1cz2A11 ASN 33 HD21 0.03 -0.04 -0.09 -0.04 7.03 6.89 1cz2A11 ASN 33 HD22 0.03 -0.07 -0.11 -0.04 7.74 7.56 1cz2A11 LEU 34 H 0.03 0.96 0.07 -0.55 8.37 8.87 1cz2A11 LEU 34 HA -0.01 -0.11 0.35 -0.75 4.35 3.82 1cz2A11 LEU 34 HB2 0.01 0.17 0.18 -0.04 1.64 1.96 1cz2A11 LEU 34 HB3 -0.01 -0.09 -0.02 -0.04 1.64 1.48 1cz2A11 LEU 34 HG -0.04 -0.01 0.07 -0.04 1.64 1.61 1cz2A11 LEU 34 HD13 -0.03 -0.01 -0.29 -0.04 0.93 0.55 1cz2A11 LEU 34 HD23 -0.06 -0.01 -0.00 -0.04 0.89 0.77 1cz2A11 HIS 35 H 0.16 0.75 -0.07 -0.55 8.41 8.70 1cz2A11 HIS 35 HA -0.02 -0.04 0.39 -0.75 4.63 4.20 1cz2A11 HIS 35 HB2 -0.03 -0.08 0.14 -0.04 3.26 3.25 1cz2A11 HIS 35 HB3 -0.03 0.06 0.02 -0.04 3.20 3.21 1cz2A11 HIS 35 HD2 -0.01 0.04 -0.09 -0.04 6.97 6.87 1cz2A11 HIS 35 HE1 0.00 -0.10 -0.06 -0.04 7.75 7.55 1cz2A11 ASN 36 H 0.02 0.34 -0.53 -0.55 8.53 7.80 1cz2A11 ASN 36 HA -0.40 0.05 0.56 -0.75 4.76 4.22 1cz2A11 ASN 36 HB2 -0.08 0.06 0.07 -0.04 2.88 2.89 1cz2A11 ASN 36 HB3 -0.01 -0.00 0.19 -0.04 2.79 2.93 1cz2A11 ASN 36 HD21 -0.02 0.01 -0.31 -0.04 7.03 6.68 1cz2A11 ASN 36 HD22 -0.02 -0.08 -0.11 -0.04 7.74 7.49 1cz2A11 GLN 37 H -0.00 0.73 0.19 -0.55 8.47 8.84 1cz2A11 GLN 37 HA 0.00 -0.02 0.34 -0.75 4.36 3.92 1cz2A11 GLN 37 HB2 0.06 -0.11 0.05 -0.04 2.15 2.11 1cz2A11 GLN 37 HB3 0.05 -0.02 0.10 -0.04 2.02 2.11 1cz2A11 GLN 37 HG2 0.02 0.21 0.04 -0.04 2.40 2.64 1cz2A11 GLN 37 HG3 0.04 -0.01 -0.16 -0.04 2.39 2.22 1cz2A11 GLN 37 HE21 -0.06 0.03 -0.04 -0.04 6.97 6.85 1cz2A11 GLN 37 HE22 -0.36 -0.06 -0.15 -0.04 7.69 7.08 1cz2A11 ALA 38 H -0.00 0.53 -0.29 -0.55 8.40 8.09 1cz2A11 ALA 38 HA 0.03 -0.06 0.56 -0.75 4.34 4.12 1cz2A11 ALA 38 HB3 0.04 -0.01 0.09 -0.04 1.41 1.49 1cz2A11 ARG 39 H 0.01 0.24 0.08 -0.55 8.46 8.23 1cz2A11 ARG 39 HA 0.04 0.07 0.61 -0.75 4.34 4.30 1cz2A11 ARG 39 HB2 -0.04 0.34 -0.33 -0.04 1.90 1.83 1cz2A11 ARG 39 HB3 -0.02 -0.04 0.12 -0.04 1.80 1.82 1cz2A11 ARG 39 HG2 -0.03 -0.02 0.07 -0.04 1.67 1.65 1cz2A11 ARG 39 HG3 -0.00 -0.14 0.07 -0.04 1.67 1.56 1cz2A11 ARG 39 HD2 0.02 -0.10 0.05 -0.04 3.22 3.15 1cz2A11 ARG 39 HD3 0.04 -0.04 0.13 -0.04 3.22 3.31 1cz2A11 SER 40 H 0.01 0.23 0.11 -0.55 8.46 8.27 1cz2A11 SER 40 HA -0.02 0.17 0.42 -0.75 4.49 4.31 1cz2A11 SER 40 HB2 -0.01 0.32 0.08 -0.04 3.95 4.30 1cz2A11 SER 40 HB3 -0.00 -0.12 -0.03 -0.04 3.93 3.74 1cz2A11 GLN 41 H -0.02 0.24 0.17 -0.55 8.47 8.31 1cz2A11 GLN 41 HA -0.05 0.05 0.47 -0.75 4.36 4.08 1cz2A11 GLN 41 HB2 -0.03 0.26 0.02 -0.04 2.15 2.35 1cz2A11 GLN 41 HB3 -0.04 0.00 0.12 -0.04 2.02 2.07 1cz2A11 GLN 41 HG2 -0.02 -0.07 0.14 -0.04 2.40 2.41 1cz2A11 GLN 41 HG3 -0.02 0.05 -0.07 -0.04 2.39 2.31 1cz2A11 GLN 41 HE21 -0.01 -0.02 0.02 -0.04 6.97 6.92 1cz2A11 GLN 41 HE22 -0.01 0.03 0.01 -0.04 7.69 7.68 1cz2A11 SER 42 H -0.01 0.12 -0.03 -0.55 8.46 8.00 1cz2A11 SER 42 HA -0.00 0.11 0.36 -0.75 4.49 4.20 1cz2A11 SER 42 HB2 0.00 -0.00 0.03 -0.04 3.95 3.94 1cz2A11 SER 42 HB3 0.00 0.03 0.04 -0.04 3.93 3.96 1cz2A11 ASP 43 H 0.00 0.02 -0.52 -0.55 8.40 7.36 1cz2A11 ASP 43 HA 0.02 0.06 0.40 -0.75 4.63 4.36 1cz2A11 ASP 43 HB2 0.03 -0.01 0.05 -0.04 2.71 2.74 1cz2A11 ASP 43 HB3 0.03 0.13 0.08 -0.04 2.70 2.91 1cz2A11 ARG 44 H -0.00 0.54 0.01 -0.55 8.46 8.46 1cz2A11 ARG 44 HA 0.07 0.00 0.39 -0.75 4.34 4.05 1cz2A11 ARG 44 HB2 -0.07 0.08 0.20 -0.04 1.90 2.07 1cz2A11 ARG 44 HB3 -0.06 -0.04 -0.02 -0.04 1.80 1.63 1cz2A11 ARG 44 HG2 -0.39 -0.16 0.00 -0.04 1.67 1.08 1cz2A11 ARG 44 HG3 -0.23 0.02 0.03 -0.04 1.67 1.45 1cz2A11 ARG 44 HD2 -0.38 0.04 -0.05 -0.04 3.22 2.79 1cz2A11 ARG 44 HD3 -0.03 0.02 -0.00 -0.04 3.22 3.17 1cz2A11 GLN 45 H -0.01 0.49 -0.22 -0.55 8.47 8.19 1cz2A11 GLN 45 HA 0.01 0.04 0.40 -0.75 4.36 4.05 1cz2A11 GLN 45 HB2 0.00 0.06 0.17 -0.04 2.15 2.34 1cz2A11 GLN 45 HB3 0.00 -0.03 0.00 -0.04 2.02 1.95 1cz2A11 GLN 45 HG2 -0.00 -0.02 0.00 -0.04 2.40 2.33 1cz2A11 GLN 45 HG3 -0.00 0.02 0.02 -0.04 2.39 2.39 1cz2A11 GLN 45 HE21 -0.01 -0.07 -0.06 -0.04 6.97 6.79 1cz2A11 GLN 45 HE22 -0.02 0.48 -0.36 -0.04 7.69 7.75 1cz2A11 SER 46 H 0.01 0.67 0.11 -0.55 8.46 8.70 1cz2A11 SER 46 HA 0.02 -0.01 0.32 -0.75 4.49 4.06 1cz2A11 SER 46 HB2 0.02 0.10 0.16 -0.04 3.95 4.19 1cz2A11 SER 46 HB3 0.02 -0.18 -0.08 -0.04 3.93 3.66 1cz2A11 ALA 47 H 0.03 0.54 0.11 -0.55 8.40 8.53 1cz2A11 ALA 47 HA 0.02 -0.08 0.35 -0.75 4.34 3.88 1cz2A11 ALA 47 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 1cz2A11 CYS 48 H 0.05 0.57 -0.10 -0.55 8.50 8.48 1cz2A11 CYS 48 HA 0.04 -0.06 0.37 -0.75 4.58 4.18 1cz2A11 CYS 48 HB2 0.12 -0.10 0.17 -0.04 2.97 3.12 1cz2A11 CYS 48 HB3 0.05 0.14 0.08 -0.04 2.97 3.21 1cz2A11 ASN 49 H 0.02 0.61 -0.25 -0.55 8.53 8.37 1cz2A11 ASN 49 HA 0.02 0.01 0.59 -0.75 4.76 4.62 1cz2A11 ASN 49 HB2 0.01 0.08 0.20 -0.04 2.88 3.14 1cz2A11 ASN 49 HB3 0.01 -0.07 0.01 -0.04 2.79 2.69 1cz2A11 ASN 49 HD21 0.01 0.38 0.18 -0.04 7.03 7.56 1cz2A11 ASN 49 HD22 0.01 -0.09 0.02 -0.04 7.74 7.64 1cz2A11 CYS 50 H 0.01 0.57 0.04 -0.55 8.50 8.58 1cz2A11 CYS 50 HA 0.01 0.02 0.44 -0.75 4.58 4.29 1cz2A11 CYS 50 HB2 0.01 0.16 0.19 -0.04 2.97 3.28 1cz2A11 CYS 50 HB3 -0.00 -0.04 -0.05 -0.04 2.97 2.84 1cz2A11 LEU 51 H 0.01 0.59 -0.14 -0.55 8.37 8.28 1cz2A11 LEU 51 HA -0.01 -0.11 0.34 -0.75 4.35 3.81 1cz2A11 LEU 51 HB2 -0.00 0.02 0.07 -0.04 1.64 1.69 1cz2A11 LEU 51 HB3 0.01 0.17 0.19 -0.04 1.64 1.96 1cz2A11 LEU 51 HG -0.02 -0.04 -0.06 -0.04 1.64 1.48 1cz2A11 LEU 51 HD13 -0.02 -0.01 -0.03 -0.04 0.93 0.83 1cz2A11 LEU 51 HD23 -0.01 -0.02 -0.32 -0.04 0.89 0.51 1cz2A11 LYS 52 H 0.01 0.69 -0.09 -0.55 8.42 8.47 1cz2A11 LYS 52 HA -0.00 -0.05 0.38 -0.75 4.32 3.89 1cz2A11 LYS 52 HB2 0.01 0.12 0.20 -0.04 1.87 2.16 1cz2A11 LYS 52 HB3 0.01 -0.04 0.01 -0.04 1.79 1.73 1cz2A11 LYS 52 HG2 0.02 0.15 0.12 -0.04 1.46 1.70 1cz2A11 LYS 52 HG3 0.02 -0.04 0.03 -0.04 1.46 1.42 1cz2A11 LYS 52 HD2 0.01 -0.00 0.01 -0.04 1.69 1.67 1cz2A11 LYS 52 HD3 0.01 -0.00 0.04 -0.04 1.68 1.69 1cz2A11 LYS 52 HE2 0.02 -0.04 -0.05 -0.04 2.99 2.88 1cz2A11 LYS 52 HE3 0.02 0.01 -0.04 -0.04 2.99 2.94 1cz2A11 GLY 53 H 0.01 0.53 -0.17 -0.55 8.43 8.25 1cz2A11 GLY 53 HA2 0.01 -0.01 0.40 -0.51 4.01 3.91 1cz2A11 GLY 53 HA3 0.01 -0.04 0.31 -0.51 4.01 3.78 1cz2A11 ILE 54 H -0.00 0.60 -0.01 -0.55 8.25 8.28 1cz2A11 ILE 54 HA -0.00 0.09 0.55 -0.75 4.18 4.07 1cz2A11 ILE 54 HB -0.01 -0.06 0.07 -0.04 1.89 1.85 1cz2A11 ILE 54 HG12 -0.00 -0.07 -0.04 -0.04 1.49 1.34 1cz2A11 ILE 54 HG13 0.00 0.02 -0.05 -0.04 1.21 1.14 1cz2A11 ILE 54 HG23 -0.01 -0.00 -0.14 -0.04 0.93 0.73 1cz2A11 ILE 54 HD13 0.00 -0.04 -0.06 -0.04 0.88 0.74 1cz2A11 ALA 55 H -0.02 0.12 0.14 -0.55 8.40 8.09 1cz2A11 ALA 55 HA -0.04 0.04 0.19 -0.75 4.34 3.77 1cz2A11 ALA 55 HB3 -0.04 -0.03 -0.01 -0.04 1.41 1.29 1cz2A11 ARG 56 H -0.04 0.25 -0.06 -0.55 8.46 8.06 1cz2A11 ARG 56 HA -0.15 0.04 0.36 -0.75 4.34 3.84 1cz2A11 ARG 56 HB2 -0.03 -0.06 0.13 -0.04 1.90 1.90 1cz2A11 ARG 56 HB3 -0.02 0.05 0.05 -0.04 1.80 1.84 1cz2A11 ARG 56 HG2 -0.05 -0.05 0.14 -0.04 1.67 1.67 1cz2A11 ARG 56 HG3 -0.01 -0.08 0.07 -0.04 1.67 1.60 1cz2A11 ARG 56 HD2 0.01 -0.01 -0.00 -0.04 3.22 3.18 1cz2A11 ARG 56 HD3 -0.14 0.14 0.14 -0.04 3.22 3.31 1cz2A11 GLY 57 H -0.02 0.30 -0.38 -0.55 8.43 7.79 1cz2A11 GLY 57 HA2 0.11 -0.13 0.45 -0.51 4.01 3.93 1cz2A11 GLY 57 HA3 0.04 0.13 0.30 -0.51 4.01 3.96 1cz2A11 ILE 58 H -0.04 0.48 -0.22 -0.55 8.25 7.91 1cz2A11 ILE 58 HA 0.07 -0.09 0.56 -0.75 4.18 3.96 1cz2A11 ILE 58 HB -0.04 0.07 0.11 -0.04 1.89 1.99 1cz2A11 ILE 58 HG12 0.02 -0.09 0.04 -0.04 1.49 1.41 1cz2A11 ILE 58 HG13 0.01 0.14 0.08 -0.04 1.21 1.39 1cz2A11 ILE 58 HG23 0.00 -0.04 -0.08 -0.04 0.93 0.78 1cz2A11 ILE 58 HD13 -0.00 -0.06 -0.07 -0.04 0.88 0.71 1cz2A11 HIS 59 H 0.12 0.07 0.17 -0.55 8.41 8.23 1cz2A11 HIS 59 HA 0.00 0.16 0.67 -0.75 4.63 4.71 1cz2A11 HIS 59 HB2 0.00 -0.04 0.05 -0.04 3.26 3.24 1cz2A11 HIS 59 HB3 0.00 -0.16 0.15 -0.04 3.20 3.15 1cz2A11 HIS 59 HD2 0.00 -0.15 0.07 -0.04 6.97 6.84 1cz2A11 HIS 59 HE1 0.00 -0.09 0.07 -0.04 7.75 7.69 1cz2A11 ASN 60 H 0.10 0.10 0.15 -0.55 8.53 8.32 1cz2A11 ASN 60 HA 0.04 -0.03 0.36 -0.75 4.76 4.37 1cz2A11 ASN 60 HB2 0.04 -0.07 0.03 -0.04 2.88 2.84 1cz2A11 ASN 60 HB3 0.04 0.18 0.17 -0.04 2.79 3.13 1cz2A11 ASN 60 HD21 0.02 -0.04 0.05 -0.04 7.03 7.02 1cz2A11 ASN 60 HD22 0.02 -0.02 0.01 -0.04 7.74 7.71 1cz2A11 LEU 61 H 0.01 0.06 -0.01 -0.55 8.37 7.88 1cz2A11 LEU 61 HA 0.00 0.27 0.86 -0.75 4.35 4.73 1cz2A11 LEU 61 HB2 -0.04 0.10 -0.47 -0.04 1.64 1.19 1cz2A11 LEU 61 HB3 -0.05 -0.07 -0.05 -0.04 1.64 1.42 1cz2A11 LEU 61 HG -0.02 0.04 -0.22 -0.04 1.64 1.40 1cz2A11 LEU 61 HD13 -0.06 -0.01 -0.17 -0.04 0.93 0.65 1cz2A11 LEU 61 HD23 -0.03 -0.02 -0.40 -0.04 0.89 0.40 1cz2A11 ASN 62 H 0.02 0.62 0.29 -0.55 8.53 8.90 1cz2A11 ASN 62 HA 0.01 -0.03 0.51 -0.75 4.76 4.49 1cz2A11 ASN 62 HB2 0.04 0.12 0.16 -0.04 2.88 3.17 1cz2A11 ASN 62 HB3 0.04 0.21 0.15 -0.04 2.79 3.15 1cz2A11 ASN 62 HD21 0.09 0.10 0.06 -0.04 7.03 7.25 1cz2A11 ASN 62 HD22 0.05 -0.05 0.05 -0.04 7.74 7.75 1cz2A11 GLU 63 H -0.01 0.53 0.20 -0.55 8.60 8.78 1cz2A11 GLU 63 HA -0.04 0.07 0.27 -0.75 4.29 3.84 1cz2A11 GLU 63 HB2 -0.03 0.14 0.09 -0.04 2.09 2.25 1cz2A11 GLU 63 HB3 -0.03 0.02 0.06 -0.04 1.99 2.00 1cz2A11 GLU 63 HG2 -0.02 -0.06 -0.15 -0.04 2.34 2.08 1cz2A11 GLU 63 HG3 -0.01 0.11 0.02 -0.04 2.34 2.41 1cz2A11 ASP 64 H -0.02 0.07 -0.23 -0.55 8.40 7.68 1cz2A11 ASP 64 HA -0.03 0.11 0.41 -0.75 4.63 4.37 1cz2A11 ASP 64 HB2 -0.01 0.03 0.09 -0.04 2.71 2.78 1cz2A11 ASP 64 HB3 -0.01 -0.04 0.10 -0.04 2.70 2.71 1cz2A11 ASN 65 H -0.03 0.10 -0.06 -0.55 8.53 8.00 1cz2A11 ASN 65 HA -0.09 -0.01 0.41 -0.75 4.76 4.32 1cz2A11 ASN 65 HB2 -0.00 -0.06 0.10 -0.04 2.88 2.87 1cz2A11 ASN 65 HB3 -0.05 0.18 0.08 -0.04 2.79 2.97 1cz2A11 ASN 65 HD21 -0.45 0.16 -0.48 -0.04 7.03 6.22 1cz2A11 ASN 65 HD22 -1.75 -0.02 -0.25 -0.04 7.74 5.68 1cz2A11 ALA 66 H -0.08 0.67 -0.25 -0.55 8.40 8.20 1cz2A11 ALA 66 HA -0.14 -0.04 0.33 -0.75 4.34 3.73 1cz2A11 ALA 66 HB3 -0.06 0.05 0.02 -0.04 1.41 1.38 1cz2A11 ARG 67 H -0.07 0.46 -0.34 -0.55 8.46 7.95 1cz2A11 ARG 67 HA -0.07 0.01 0.63 -0.75 4.34 4.15 1cz2A11 ARG 67 HB2 -0.05 0.06 0.20 -0.04 1.90 2.07 1cz2A11 ARG 67 HB3 -0.05 -0.04 0.02 -0.04 1.80 1.69 1cz2A11 ARG 67 HG2 -0.04 -0.07 0.00 -0.04 1.67 1.53 1cz2A11 ARG 67 HG3 -0.05 -0.04 0.05 -0.04 1.67 1.59 1cz2A11 ARG 67 HD2 -0.04 -0.05 0.03 -0.04 3.22 3.13 1cz2A11 ARG 67 HD3 -0.05 -0.08 0.03 -0.04 3.22 3.07 1cz2A11 SER 68 H -0.09 0.32 -0.04 -0.55 8.46 8.10 1cz2A11 SER 68 HA -0.07 -0.03 0.40 -0.75 4.49 4.03 1cz2A11 SER 68 HB2 -0.13 0.11 0.09 -0.04 3.95 3.97 1cz2A11 SER 68 HB3 -0.07 -0.07 0.03 -0.04 3.93 3.77 1cz2A11 ILE 69 H -0.17 0.49 -0.23 -0.55 8.25 7.79 1cz2A11 ILE 69 HA -0.17 -0.04 0.25 -0.75 4.18 3.46 1cz2A11 ILE 69 HB -0.14 0.17 0.06 -0.04 1.89 1.94 1cz2A11 ILE 69 HG12 -0.43 -0.01 -0.11 -0.04 1.49 0.89 1cz2A11 ILE 69 HG13 -0.41 0.13 -0.18 -0.04 1.21 0.71 1cz2A11 ILE 69 HG23 -0.08 -0.03 -0.20 -0.04 0.93 0.58 1cz2A11 ILE 69 HD13 -0.19 -0.02 -0.25 -0.04 0.88 0.38 1cz2A11 PRO 70 HA -0.08 -0.03 0.15 -0.51 4.44 3.97 1cz2A11 PRO 70 HB2 -0.08 0.03 0.01 -0.04 2.28 2.20 1cz2A11 PRO 70 HB3 -0.07 -0.04 0.03 -0.04 2.02 1.90 1cz2A11 PRO 70 HG2 -0.07 0.16 0.08 -0.04 2.03 2.15 1cz2A11 PRO 70 HG3 -0.08 -0.05 0.07 -0.04 2.03 1.93 1cz2A11 PRO 70 HD2 -0.10 0.24 -0.31 -0.04 3.68 3.46 1cz2A11 PRO 70 HD3 -0.09 0.02 0.06 -0.04 3.65 3.59 1cz2A11 PRO 71 HA -0.07 -0.03 0.22 -0.51 4.44 4.05 1cz2A11 PRO 71 HB2 -0.04 0.00 -0.06 -0.04 2.28 2.14 1cz2A11 PRO 71 HB3 -0.05 -0.09 -0.02 -0.04 2.02 1.82 1cz2A11 PRO 71 HG2 -0.05 0.13 0.04 -0.04 2.03 2.11 1cz2A11 PRO 71 HG3 -0.05 -0.03 0.01 -0.04 2.03 1.92 1cz2A11 PRO 71 HD2 -0.07 0.30 -0.27 -0.04 3.68 3.60 1cz2A11 PRO 71 HD3 -0.06 -0.03 0.01 -0.04 3.65 3.53 1cz2A11 LYS 72 H -0.06 0.67 -0.24 -0.55 8.42 8.23 1cz2A11 LYS 72 HA -0.03 -0.07 0.35 -0.75 4.32 3.81 1cz2A11 LYS 72 HB2 -0.06 -0.04 -0.01 -0.04 1.87 1.72 1cz2A11 LYS 72 HB3 -0.07 0.10 0.01 -0.04 1.79 1.79 1cz2A11 LYS 72 HG2 -0.00 0.02 -0.15 -0.04 1.46 1.28 1cz2A11 LYS 72 HG3 -0.01 -0.09 0.03 -0.04 1.46 1.35 1cz2A11 LYS 72 HD2 -0.02 -0.07 -0.08 -0.04 1.69 1.48 1cz2A11 LYS 72 HD3 -0.06 0.05 -0.10 -0.04 1.68 1.53 1cz2A11 LYS 72 HE2 0.19 -0.04 -0.03 -0.04 2.99 3.07 1cz2A11 LYS 72 HE3 0.11 0.08 -0.01 -0.04 2.99 3.13 1cz2A11 CYS 73 H -0.05 0.63 -0.26 -0.55 8.50 8.27 1cz2A11 CYS 73 HA -0.02 0.10 0.71 -0.75 4.58 4.61 1cz2A11 CYS 73 HB2 -0.01 0.03 -0.16 -0.04 2.97 2.79 1cz2A11 CYS 73 HB3 -0.02 -0.03 0.06 -0.04 2.97 2.94 1cz2A11 GLY 74 H -0.05 0.29 -0.27 -0.55 8.43 7.86 1cz2A11 GLY 74 HA2 -0.05 -0.08 0.29 -0.51 4.01 3.66 1cz2A11 GLY 74 HA3 -0.07 0.04 0.67 -0.51 4.01 4.14 1cz2A11 VAL 75 H -0.13 0.50 -0.00 -0.55 8.24 8.06 1cz2A11 VAL 75 HA -0.11 0.01 0.55 -0.75 4.13 3.83 1cz2A11 VAL 75 HB -0.16 0.12 -0.17 -0.04 2.12 1.87 1cz2A11 VAL 75 HG13 -0.57 -0.01 -0.22 -0.04 0.97 0.12 1cz2A11 VAL 75 HG23 -0.20 0.03 -0.06 -0.04 0.95 0.67 1cz2A11 ASN 76 H -0.08 0.05 0.06 -0.55 8.53 8.01 1cz2A11 ASN 76 HA -0.06 0.04 0.25 -0.75 4.76 4.23 1cz2A11 ASN 76 HB2 -0.02 0.05 0.08 -0.04 2.88 2.95 1cz2A11 ASN 76 HB3 -0.03 -0.05 0.09 -0.04 2.79 2.76 1cz2A11 ASN 76 HD21 0.03 0.60 -0.31 -0.04 7.03 7.31 1cz2A11 ASN 76 HD22 0.06 -0.10 -0.18 -0.04 7.74 7.47 1cz2A11 LEU 77 H -0.05 0.07 0.13 -0.55 8.37 7.98 1cz2A11 LEU 77 HA 0.03 0.20 0.73 -0.75 4.35 4.56 1cz2A11 LEU 77 HB2 -0.18 -0.03 0.13 -0.04 1.64 1.53 1cz2A11 LEU 77 HB3 -0.09 0.02 0.11 -0.04 1.64 1.64 1cz2A11 LEU 77 HG -0.18 0.10 -0.03 -0.04 1.64 1.48 1cz2A11 LEU 77 HD13 -0.08 0.00 0.05 -0.04 0.93 0.86 1cz2A11 LEU 77 HD23 -0.07 -0.07 -0.31 -0.04 0.89 0.40 1cz2A11 PRO 78 HA 0.08 0.08 0.53 -0.51 4.44 4.62 1cz2A11 PRO 78 HB2 0.21 -0.10 0.04 -0.04 2.28 2.38 1cz2A11 PRO 78 HB3 0.07 0.09 0.15 -0.04 2.02 2.29 1cz2A11 PRO 78 HG2 0.07 -0.15 0.16 -0.04 2.03 2.07 1cz2A11 PRO 78 HG3 0.09 0.31 0.20 -0.04 2.03 2.58 1cz2A11 PRO 78 HD2 -0.03 0.04 0.29 -0.04 3.68 3.94 1cz2A11 PRO 78 HD3 0.07 0.31 0.24 -0.04 3.65 4.23 1cz2A11 TYR 79 H -0.33 0.25 -0.04 -0.55 8.29 7.62 1cz2A11 TYR 79 HA 0.00 0.18 0.48 -0.75 4.56 4.47 1cz2A11 TYR 79 HB2 -0.00 -0.08 0.09 -0.04 3.06 3.03 1cz2A11 TYR 79 HB3 0.00 0.13 -0.13 -0.04 2.98 2.95 1cz2A11 TYR 79 HD2 -0.00 0.01 -0.17 -0.04 7.15 6.95 1cz2A11 TYR 79 HE2 -0.00 0.08 -0.02 -0.04 6.85 6.86 1cz2A11 THR 80 H 0.09 0.12 0.07 -0.55 8.28 8.02 1cz2A11 THR 80 HA -0.09 0.14 0.18 -0.75 4.39 3.86 1cz2A11 THR 80 HB -0.01 0.07 0.13 -0.04 4.32 4.47 1cz2A11 THR 80 HG23 -0.00 0.01 0.01 -0.04 1.22 1.20 1cz2A11 ILE 81 H -0.24 -0.07 -0.51 -0.55 8.25 6.89 1cz2A11 ILE 81 HA 0.01 0.04 0.38 -0.75 4.18 3.86 1cz2A11 ILE 81 HB -0.10 -0.09 0.11 -0.04 1.89 1.76 1cz2A11 ILE 81 HG12 -0.15 0.09 -0.36 -0.04 1.49 1.03 1cz2A11 ILE 81 HG13 -0.08 -0.11 -0.08 -0.04 1.21 0.90 1cz2A11 ILE 81 HG23 -0.52 0.07 -0.02 -0.04 0.93 0.42 1cz2A11 ILE 81 HD13 -0.09 0.01 -0.08 -0.04 0.88 0.67 1cz2A11 SER 82 H 0.02 0.11 0.12 -0.55 8.46 8.16 1cz2A11 SER 82 HA 0.02 -0.08 0.45 -0.75 4.49 4.13 1cz2A11 SER 82 HB2 0.04 0.02 -0.25 -0.04 3.95 3.72 1cz2A11 SER 82 HB3 0.02 0.02 0.09 -0.04 3.93 4.03 1cz2A11 LEU 83 H -0.03 0.42 -0.48 -0.55 8.37 7.73 1cz2A11 LEU 83 HA -0.04 0.18 0.70 -0.75 4.35 4.43 1cz2A11 LEU 83 HB2 -0.04 0.08 0.08 -0.04 1.64 1.71 1cz2A11 LEU 83 HB3 -0.04 -0.01 0.10 -0.04 1.64 1.65 1cz2A11 LEU 83 HG -0.05 0.06 -0.10 -0.04 1.64 1.51 1cz2A11 LEU 83 HD13 -0.04 -0.01 -0.25 -0.04 0.93 0.59 1cz2A11 LEU 83 HD23 -0.05 0.01 -0.10 -0.04 0.89 0.72 1cz2A11 ASN 84 H -0.02 0.35 -0.45 -0.55 8.53 7.87 1cz2A11 ASN 84 HA -0.00 0.02 0.20 -0.75 4.76 4.23 1cz2A11 ASN 84 HB2 -0.01 0.15 0.24 -0.04 2.88 3.22 1cz2A11 ASN 84 HB3 0.00 -0.04 0.18 -0.04 2.79 2.88 1cz2A11 ASN 84 HD21 -0.01 -0.04 -0.01 -0.04 7.03 6.93 1cz2A11 ASN 84 HD22 -0.02 0.02 -0.02 -0.04 7.74 7.68 1cz2A11 ILE 85 H 0.00 -0.06 -0.32 -0.55 8.25 7.32 1cz2A11 ILE 85 HA 0.01 0.14 0.65 -0.75 4.18 4.23 1cz2A11 ILE 85 HB 0.01 0.15 0.03 -0.04 1.89 2.03 1cz2A11 ILE 85 HG12 -0.01 -0.07 -0.05 -0.04 1.49 1.33 1cz2A11 ILE 85 HG13 -0.00 0.15 -0.28 -0.04 1.21 1.03 1cz2A11 ILE 85 HG23 0.02 -0.04 -0.07 -0.04 0.93 0.80 1cz2A11 ILE 85 HD13 -0.02 0.00 -0.19 -0.04 0.88 0.63 1cz2A11 ASP 86 H 0.04 0.66 -0.17 -0.55 8.40 8.38 1cz2A11 ASP 86 HA 0.04 0.17 0.58 -0.75 4.63 4.66 1cz2A11 ASP 86 HB2 0.05 -0.08 -0.03 -0.04 2.71 2.62 1cz2A11 ASP 86 HB3 0.05 0.13 -0.48 -0.04 2.70 2.36 1cz2A11 CYS 87 H 0.04 0.22 -0.13 -0.55 8.50 8.08 1cz2A11 CYS 87 HA 0.14 -0.03 0.23 -0.75 4.58 4.17 1cz2A11 CYS 87 HB2 0.05 0.04 -0.08 -0.04 2.97 2.94 1cz2A11 CYS 87 HB3 0.05 0.03 0.07 -0.04 2.97 3.08 1cz2A11 SER 88 H -0.05 0.12 0.00 -0.55 8.46 7.98 1cz2A11 SER 88 HA -0.03 0.09 0.26 -0.75 4.49 4.05 1cz2A11 SER 88 HB2 -0.14 -0.09 0.03 -0.04 3.95 3.71 1cz2A11 SER 88 HB3 -0.06 0.05 -0.05 -0.04 3.93 3.83 1cz2A11 ARG 89 H -0.12 -0.03 -0.28 -0.55 8.46 7.48 1cz2A11 ARG 89 HA -0.06 -0.07 0.24 -0.75 4.34 3.70 1cz2A11 ARG 89 HB2 -0.02 0.21 -0.16 -0.04 1.90 1.90 1cz2A11 ARG 89 HB3 -0.02 -0.02 0.10 -0.04 1.80 1.82 1cz2A11 ARG 89 HG2 -0.01 -0.08 -0.40 -0.04 1.67 1.14 1cz2A11 ARG 89 HG3 -0.01 -0.10 -0.31 -0.04 1.67 1.21 1cz2A11 ARG 89 HD2 0.00 -0.04 -0.06 -0.04 3.22 3.08 1cz2A11 ARG 89 HD3 0.02 0.01 -0.11 -0.04 3.22 3.10 1cz2A11 VAL 90 H -0.08 -0.07 -0.16 -0.55 8.24 7.39 1cz2A11 VAL 90 HA -0.03 0.24 0.25 -0.75 4.13 3.83 1cz2A11 VAL 90 HB -0.03 0.06 0.03 -0.04 2.12 2.14 1cz2A11 VAL 90 HG13 -0.06 0.01 -0.08 -0.04 0.97 0.81 1cz2A11 VAL 90 HG23 -0.05 -0.01 0.02 -0.04 0.95 0.86