============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 3 0.900 5.366 5.804 -2.101 -99.200 -91.000 TRP 29 1.040 7.059 7.359 -12.258 -99.200 -91.000 TRP6 29 1.020 6.651 9.302 -10.976 -99.200 -91.000 HIS 42 0.900 17.511 30.496 -28.992 -99.200 -91.000 TYR 63 0.840 1.470 30.498 -20.881 -99.200 -91.000 HIS 67 0.900 3.419 29.851 -16.621 -99.200 -91.000 TYR 70 0.840 10.115 29.882 -19.990 -99.200 -91.000 HIS 71 0.900 7.654 30.030 -14.920 -99.200 -91.000 HIS 78 0.900 18.184 29.706 -11.921 -99.200 -91.000 PHE 98 1.000 15.636 16.892 -23.739 -99.200 -91.000 TYR 106 0.840 4.292 15.888 -3.077 -99.200 -91.000 TRP 114 1.040 3.401 17.800 -7.597 -99.200 -91.000 TRP6 114 1.020 4.275 19.782 -6.653 -99.200 -91.000 TYR 120 0.840 25.501 13.401 -16.889 -99.200 -91.000 HIS 132 0.900 32.754 22.162 -15.221 -99.200 -91.000 PHE 135 1.000 23.986 15.388 -12.783 -99.200 -91.000 HIS 141 0.900 2.303 24.395 -9.298 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zh0H1 THR 2 HA 0.08 -0.08 0.22 -0.75 4.39 3.87 2zh0H1 THR 2 HB 0.03 -0.04 0.05 -0.04 4.32 4.32 2zh0H1 THR 2 HG23 0.01 -0.01 -0.15 -0.04 1.22 1.03 2zh0H1 LEU 3 H 0.03 0.08 0.07 -0.55 8.37 7.99 2zh0H1 LEU 3 HA -0.21 0.00 0.46 -0.75 4.35 3.85 2zh0H1 LEU 3 HB2 -0.11 -0.04 0.03 -0.04 1.64 1.49 2zh0H1 LEU 3 HB3 -0.19 0.14 -0.11 -0.04 1.64 1.45 2zh0H1 LEU 3 HG -0.31 -0.02 -0.01 -0.04 1.64 1.27 2zh0H1 LEU 3 HD13 -0.15 -0.01 -0.02 -0.04 0.93 0.72 2zh0H1 LEU 3 HD23 -0.83 -0.01 -0.09 -0.04 0.89 -0.08 2zh0H1 HIS 4 H 0.02 0.51 0.38 -0.55 8.41 8.78 2zh0H1 HIS 4 HA -0.01 0.07 0.69 -0.75 4.63 4.63 2zh0H1 HIS 4 HB2 0.00 0.05 -0.19 -0.04 3.26 3.08 2zh0H1 HIS 4 HB3 -0.01 0.14 -0.02 -0.04 3.20 3.27 2zh0H1 HIS 4 HD2 0.00 0.06 -0.02 -0.04 6.97 6.97 2zh0H1 HIS 4 HE1 0.01 0.06 -0.02 -0.04 7.75 7.75 2zh0H1 LYS 5 H -0.33 0.17 0.14 -0.55 8.42 7.84 2zh0H1 LYS 5 HA -0.03 0.09 0.16 -0.75 4.32 3.79 2zh0H1 LYS 5 HB2 -0.16 -0.00 0.15 -0.04 1.87 1.81 2zh0H1 LYS 5 HB3 -0.06 0.03 -0.05 -0.04 1.79 1.68 2zh0H1 LYS 5 HG2 -0.05 0.02 0.02 -0.04 1.46 1.41 2zh0H1 LYS 5 HG3 -0.06 0.01 0.02 -0.04 1.46 1.39 2zh0H1 LYS 5 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 2zh0H1 LYS 5 HD3 -0.02 -0.01 0.07 -0.04 1.68 1.68 2zh0H1 LYS 5 HE2 -0.03 -0.00 0.00 -0.04 2.99 2.91 2zh0H1 LYS 5 HE3 -0.03 0.01 -0.00 -0.04 2.99 2.92 2zh0H1 GLU 6 H 0.48 0.03 -0.22 -0.55 8.60 8.35 2zh0H1 GLU 6 HA 0.11 0.19 0.64 -0.75 4.29 4.47 2zh0H1 GLU 6 HB2 0.30 0.01 -0.03 -0.04 2.09 2.33 2zh0H1 GLU 6 HB3 0.13 0.05 0.04 -0.04 1.99 2.17 2zh0H1 GLU 6 HG2 0.08 0.05 -0.06 -0.04 2.34 2.38 2zh0H1 GLU 6 HG3 0.09 -0.12 -0.07 -0.04 2.34 2.20 2zh0H1 ARG 7 H 0.34 0.13 -0.34 -0.55 8.46 8.04 2zh0H1 ARG 7 HA 0.38 0.20 0.60 -0.75 4.34 4.76 2zh0H1 ARG 7 HB2 0.01 0.03 0.04 -0.04 1.90 1.93 2zh0H1 ARG 7 HB3 0.18 0.04 0.17 -0.04 1.80 2.15 2zh0H1 ARG 7 HG2 -0.19 0.04 -0.04 -0.04 1.67 1.44 2zh0H1 ARG 7 HG3 -0.12 -0.06 -0.24 -0.04 1.67 1.21 2zh0H1 ARG 7 HD2 -0.68 -0.03 -0.06 -0.04 3.22 2.41 2zh0H1 ARG 7 HD3 -1.05 -0.08 -0.08 -0.04 3.22 1.97 2zh0H1 ARG 8 H 0.08 0.19 -0.59 -0.55 8.46 7.60 2zh0H1 ARG 8 HA -0.04 0.05 0.43 -0.75 4.34 4.02 2zh0H1 ARG 8 HB2 -0.02 0.08 0.06 -0.04 1.90 1.98 2zh0H1 ARG 8 HB3 -0.07 -0.21 0.02 -0.04 1.80 1.50 2zh0H1 ARG 8 HG2 -0.08 -0.05 -0.05 -0.04 1.67 1.45 2zh0H1 ARG 8 HG3 -0.01 0.19 -0.09 -0.04 1.67 1.73 2zh0H1 ARG 8 HD2 -0.05 -0.09 -0.01 -0.04 3.22 3.03 2zh0H1 ARG 8 HD3 -0.05 -0.01 -0.04 -0.04 3.22 3.08 2zh0H1 ILE 9 H -0.05 0.23 0.23 -0.55 8.25 8.12 2zh0H1 ILE 9 HA -0.64 0.10 0.13 -0.75 4.18 3.02 2zh0H1 ILE 9 HB 0.09 0.13 -0.00 -0.04 1.89 2.07 2zh0H1 ILE 9 HG12 -0.13 -0.05 -0.24 -0.04 1.49 1.03 2zh0H1 ILE 9 HG13 -0.59 -0.02 -0.14 -0.04 1.21 0.42 2zh0H1 ILE 9 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.80 2zh0H1 ILE 9 HD13 0.28 0.06 -0.35 -0.04 0.88 0.83 2zh0H1 GLY 10 H -0.11 0.08 -0.19 -0.55 8.43 7.67 2zh0H1 GLY 10 HA2 -0.07 0.11 0.36 -0.51 4.01 3.89 2zh0H1 GLY 10 HA3 -0.07 0.06 0.22 -0.51 4.01 3.71 2zh0H1 ARG 11 H -0.09 0.08 -0.18 -0.55 8.46 7.72 2zh0H1 ARG 11 HA -0.08 0.05 0.36 -0.75 4.34 3.92 2zh0H1 ARG 11 HB2 -0.07 -0.04 0.06 -0.04 1.90 1.82 2zh0H1 ARG 11 HB3 -0.07 0.12 0.05 -0.04 1.80 1.86 2zh0H1 ARG 11 HG2 -0.06 0.01 -0.17 -0.04 1.67 1.41 2zh0H1 ARG 11 HG3 -0.06 -0.02 0.01 -0.04 1.67 1.57 2zh0H1 ARG 11 HD2 -0.04 -0.02 -0.01 -0.04 3.22 3.11 2zh0H1 ARG 11 HD3 -0.03 0.05 -0.02 -0.04 3.22 3.17 2zh0H1 LEU 12 H -0.17 0.56 -0.24 -0.55 8.37 7.97 2zh0H1 LEU 12 HA -0.13 0.04 0.39 -0.75 4.35 3.90 2zh0H1 LEU 12 HB2 -0.48 0.06 -0.07 -0.04 1.64 1.11 2zh0H1 LEU 12 HB3 -0.37 -0.02 -0.10 -0.04 1.64 1.11 2zh0H1 LEU 12 HG -0.10 0.02 -0.10 -0.04 1.64 1.42 2zh0H1 LEU 12 HD13 -0.09 0.03 -0.23 -0.04 0.93 0.60 2zh0H1 LEU 12 HD23 -0.03 0.00 -0.05 -0.04 0.89 0.77 2zh0H1 SER 13 H -0.20 0.43 -0.27 -0.55 8.46 7.87 2zh0H1 SER 13 HA -0.13 0.04 0.44 -0.75 4.49 4.08 2zh0H1 SER 13 HB2 -0.15 0.01 0.09 -0.04 3.95 3.86 2zh0H1 SER 13 HB3 -0.08 0.08 0.13 -0.04 3.93 4.01 2zh0H1 VAL 14 H -0.06 0.40 -0.23 -0.55 8.24 7.80 2zh0H1 VAL 14 HA 0.05 0.07 0.46 -0.75 4.13 3.96 2zh0H1 VAL 14 HB -0.04 0.06 0.09 -0.04 2.12 2.18 2zh0H1 VAL 14 HG13 0.06 -0.01 -0.10 -0.04 0.97 0.88 2zh0H1 VAL 14 HG23 0.01 0.08 -0.02 -0.04 0.95 0.98 2zh0H1 LEU 15 H -0.06 0.50 -0.08 -0.55 8.37 8.19 2zh0H1 LEU 15 HA -0.04 0.02 0.39 -0.75 4.35 3.96 2zh0H1 LEU 15 HB2 -0.06 0.10 0.08 -0.04 1.64 1.72 2zh0H1 LEU 15 HB3 -0.04 -0.03 -0.03 -0.04 1.64 1.50 2zh0H1 LEU 15 HG -0.05 0.05 0.06 -0.04 1.64 1.66 2zh0H1 LEU 15 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.75 2zh0H1 LEU 15 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 2zh0H1 LEU 16 H -0.06 0.30 -0.48 -0.55 8.37 7.58 2zh0H1 LEU 16 HA -0.04 0.03 0.39 -0.75 4.35 3.97 2zh0H1 LEU 16 HB2 -0.07 0.07 0.05 -0.04 1.64 1.64 2zh0H1 LEU 16 HB3 -0.05 0.16 0.03 -0.04 1.64 1.74 2zh0H1 LEU 16 HG -0.04 0.03 -0.20 -0.04 1.64 1.39 2zh0H1 LEU 16 HD13 -0.03 -0.01 -0.11 -0.04 0.93 0.74 2zh0H1 LEU 16 HD23 -0.05 -0.02 -0.11 -0.04 0.89 0.68 2zh0H1 LEU 17 H -0.02 0.27 -0.28 -0.55 8.37 7.79 2zh0H1 LEU 17 HA -0.01 0.04 0.43 -0.75 4.35 4.05 2zh0H1 LEU 17 HB2 0.03 0.07 0.15 -0.04 1.64 1.84 2zh0H1 LEU 17 HB3 -0.03 -0.02 -0.09 -0.04 1.64 1.46 2zh0H1 LEU 17 HG 0.09 0.04 -0.02 -0.04 1.64 1.71 2zh0H1 LEU 17 HD13 0.01 -0.04 -0.26 -0.04 0.93 0.60 2zh0H1 LEU 17 HD23 0.11 0.02 -0.17 -0.04 0.89 0.81 2zh0H1 LEU 18 H -0.07 0.23 -0.35 -0.55 8.37 7.64 2zh0H1 LEU 18 HA -0.19 0.11 0.49 -0.75 4.35 4.01 2zh0H1 LEU 18 HB2 -0.08 0.02 0.02 -0.04 1.64 1.56 2zh0H1 LEU 18 HB3 -0.13 -0.07 0.05 -0.04 1.64 1.46 2zh0H1 LEU 18 HG -0.08 0.19 -0.03 -0.04 1.64 1.68 2zh0H1 LEU 18 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.81 2zh0H1 LEU 18 HD23 -0.75 -0.00 -0.11 -0.04 0.89 -0.02 2zh0H1 ASN 19 H -0.04 0.32 -0.22 -0.55 8.53 8.04 2zh0H1 ASN 19 HA -0.03 -0.02 0.68 -0.75 4.76 4.64 2zh0H1 ASN 19 HB2 -0.03 0.06 0.11 -0.04 2.88 2.98 2zh0H1 ASN 19 HB3 -0.02 -0.03 -0.07 -0.04 2.79 2.63 2zh0H1 ASN 19 HD21 -0.03 -0.09 -0.09 -0.04 7.03 6.78 2zh0H1 ASN 19 HD22 -0.03 -0.04 -0.14 -0.04 7.74 7.49 2zh0H1 GLU 20 H -0.01 0.08 0.07 -0.55 8.60 8.19 2zh0H1 GLU 20 HA -0.01 0.21 0.10 -0.75 4.29 3.84 2zh0H1 GLU 20 HB2 -0.00 -0.04 0.09 -0.04 2.09 2.10 2zh0H1 GLU 20 HB3 -0.00 -0.00 0.04 -0.04 1.99 1.99 2zh0H1 GLU 20 HG2 -0.01 0.04 0.10 -0.04 2.34 2.43 2zh0H1 GLU 20 HG3 0.00 -0.05 0.03 -0.04 2.34 2.28 2zh0H1 GLN 26 HA 0.01 -0.00 0.21 -0.75 4.36 3.82 2zh0H1 VAL 27 H 0.00 0.21 0.13 -0.55 8.24 8.04 2zh0H1 VAL 27 HA 0.02 0.09 0.50 -0.75 4.13 3.98 2zh0H1 VAL 27 HB 0.01 -0.02 0.12 -0.04 2.12 2.19 2zh0H1 VAL 27 HG13 0.02 0.01 -0.06 -0.04 0.97 0.90 2zh0H1 VAL 27 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94 2zh0H1 GLU 28 H 0.02 0.16 -0.05 -0.55 8.60 8.19 2zh0H1 GLU 28 HA 0.03 0.12 0.36 -0.75 4.29 4.06 2zh0H1 GLU 28 HB2 0.02 0.00 0.09 -0.04 2.09 2.15 2zh0H1 GLU 28 HB3 0.02 0.03 0.04 -0.04 1.99 2.03 2zh0H1 GLU 28 HG2 0.02 0.02 -0.16 -0.04 2.34 2.18 2zh0H1 GLU 28 HG3 0.02 0.02 0.02 -0.04 2.34 2.36 2zh0H1 GLU 29 H 0.03 0.16 -0.39 -0.55 8.60 7.86 2zh0H1 GLU 29 HA 0.04 0.09 0.37 -0.75 4.29 4.04 2zh0H1 LEU 30 H 0.08 0.44 -0.09 -0.55 8.37 8.24 2zh0H1 LEU 30 HA 0.33 0.01 0.47 -0.75 4.35 4.42 2zh0H1 LEU 30 HB2 0.10 0.11 0.04 -0.04 1.64 1.85 2zh0H1 LEU 30 HB3 0.19 -0.06 -0.04 -0.04 1.64 1.69 2zh0H1 LEU 30 HG 0.03 0.07 0.06 -0.04 1.64 1.75 2zh0H1 LEU 30 HD13 -0.08 -0.01 -0.09 -0.04 0.93 0.71 2zh0H1 LEU 30 HD23 -0.12 -0.02 -0.06 -0.04 0.89 0.65 2zh0H1 GLU 31 H 0.10 0.27 -0.43 -0.55 8.60 8.00 2zh0H1 GLU 31 HA 0.12 0.24 0.59 -0.75 4.29 4.50 2zh0H1 GLU 31 HB2 0.07 0.32 0.19 -0.04 2.09 2.63 2zh0H1 GLU 31 HB3 0.05 -0.01 -0.03 -0.04 1.99 1.97 2zh0H1 GLU 31 HG2 0.05 -0.04 0.09 -0.04 2.34 2.39 2zh0H1 GLU 31 HG3 0.08 0.15 0.19 -0.04 2.34 2.72 2zh0H1 ARG 32 H 0.07 0.14 -0.34 -0.55 8.46 7.77 2zh0H1 ARG 32 HA 0.02 0.14 0.96 -0.75 4.34 4.70 2zh0H1 ARG 32 HB2 0.03 0.00 0.16 -0.04 1.90 2.05 2zh0H1 ARG 32 HB3 0.02 -0.10 0.13 -0.04 1.80 1.81 2zh0H1 ARG 32 HG2 0.01 -0.05 0.10 -0.04 1.67 1.69 2zh0H1 ARG 32 HG3 0.02 0.06 -0.04 -0.04 1.67 1.67 2zh0H1 ARG 32 HD2 0.02 -0.06 -0.01 -0.04 3.22 3.12 2zh0H1 ARG 32 HD3 0.02 -0.01 -0.08 -0.04 3.22 3.11 2zh0H1 ASP 33 H 0.06 0.27 -0.13 -0.55 8.40 8.06 2zh0H1 ASP 33 HA -0.07 0.04 0.50 -0.75 4.63 4.35 2zh0H1 ASP 33 HB2 0.15 0.10 0.17 -0.04 2.71 3.08 2zh0H1 ASP 33 HB3 -0.21 -0.16 0.14 -0.04 2.70 2.42 2zh0H1 GLY 34 H -0.44 0.05 0.03 -0.55 8.43 7.53 2zh0H1 GLY 34 HA2 -0.15 0.22 0.57 -0.51 4.01 4.14 2zh0H1 GLY 34 HA3 -0.32 -0.10 0.39 -0.51 4.01 3.47 2zh0H1 TRP 35 H 0.03 0.56 -0.29 -0.55 7.97 7.72 2zh0H1 TRP 35 HA 0.03 0.31 1.06 -0.75 4.62 5.26 2zh0H1 TRP 35 HB2 0.01 0.03 -0.23 -0.04 3.23 3.00 2zh0H1 TRP 35 HB3 0.02 -0.07 -0.15 -0.04 3.23 2.99 2zh0H1 TRP 35 HD1 -0.00 0.03 0.05 -0.04 7.22 7.25 2zh0H1 TRP 35 HE1 -0.02 -0.01 -0.09 -0.04 10.20 10.04 2zh0H1 TRP 35 HE3 0.04 0.24 -0.41 -0.04 7.59 7.42 2zh0H1 TRP 35 HZ2 -0.04 -0.09 -0.15 -0.04 7.44 7.12 2zh0H1 TRP 35 HZ3 0.05 0.03 -0.41 -0.04 7.13 6.76 2zh0H1 TRP 35 HH2 -0.03 0.06 -0.21 -0.04 7.19 6.96 2zh0H1 LYS 36 H 0.31 0.72 0.37 -0.55 8.42 9.27 2zh0H1 LYS 36 HA 0.13 0.13 0.89 -0.75 4.32 4.72 2zh0H1 LYS 36 HB2 0.14 -0.02 0.21 -0.04 1.87 2.16 2zh0H1 LYS 36 HB3 0.10 -0.04 -0.04 -0.04 1.79 1.77 2zh0H1 LYS 36 HG2 0.08 0.02 -0.02 -0.04 1.46 1.49 2zh0H1 LYS 36 HG3 0.08 -0.01 -0.09 -0.04 1.46 1.40 2zh0H1 LYS 36 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.65 2zh0H1 LYS 36 HD3 0.07 0.08 -0.23 -0.04 1.68 1.56 2zh0H1 LYS 36 HE2 0.04 -0.06 -0.04 -0.04 2.99 2.89 2zh0H1 LYS 36 HE3 0.04 0.04 -0.02 -0.04 2.99 3.00 2zh0H1 VAL 37 H 0.09 0.23 0.11 -0.55 8.24 8.12 2zh0H1 VAL 37 HA 0.06 0.35 1.03 -0.75 4.13 4.81 2zh0H1 VAL 37 HB 0.04 -0.02 -0.18 -0.04 2.12 1.92 2zh0H1 VAL 37 HG13 0.08 0.03 0.01 -0.04 0.97 1.06 2zh0H1 VAL 37 HG23 0.00 -0.02 -0.22 -0.04 0.95 0.67 2zh0H1 CYS 38 H 0.05 0.51 0.31 -0.55 8.50 8.82 2zh0H1 CYS 38 HA 0.02 0.13 0.89 -0.75 4.58 4.87 2zh0H1 CYS 38 HB2 0.07 -0.01 -0.03 -0.04 2.97 2.95 2zh0H1 CYS 38 HB3 0.09 -0.02 0.11 -0.04 2.97 3.11 2zh0H1 LEU 39 H -0.04 0.18 0.19 -0.55 8.37 8.15 2zh0H1 LEU 39 HA -0.16 0.35 1.13 -0.75 4.35 4.91 2zh0H1 LEU 39 HB2 -0.07 -0.07 0.11 -0.04 1.64 1.56 2zh0H1 LEU 39 HB3 -0.14 0.03 0.02 -0.04 1.64 1.51 2zh0H1 LEU 39 HG -0.05 -0.08 -0.16 -0.04 1.64 1.32 2zh0H1 LEU 39 HD13 -0.04 -0.00 -0.04 -0.04 0.93 0.80 2zh0H1 LEU 39 HD23 -0.08 0.06 -0.06 -0.04 0.89 0.77 2zh0H1 GLY 40 H -0.62 0.60 0.38 -0.55 8.43 8.24 2zh0H1 GLY 40 HA2 -0.35 0.06 0.59 -0.51 4.01 3.80 2zh0H1 GLY 40 HA3 -1.02 0.04 0.28 -0.51 4.01 2.80 2zh0H1 LYS 41 H -0.17 0.21 0.20 -0.55 8.42 8.10 2zh0H1 LYS 41 HA -0.09 0.22 1.12 -0.75 4.32 4.81 2zh0H1 LYS 41 HB2 -0.06 -0.06 0.15 -0.04 1.87 1.86 2zh0H1 LYS 41 HB3 -0.03 0.03 0.01 -0.04 1.79 1.76 2zh0H1 LYS 41 HG2 -0.07 0.10 0.09 -0.04 1.46 1.55 2zh0H1 LYS 41 HG3 -0.11 -0.06 -0.15 -0.04 1.46 1.10 2zh0H1 LYS 41 HD2 -0.05 -0.04 -0.01 -0.04 1.69 1.55 2zh0H1 LYS 41 HD3 -0.04 -0.00 -0.02 -0.04 1.68 1.58 2zh0H1 LYS 41 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.89 2zh0H1 LYS 41 HE3 -0.03 -0.03 -0.02 -0.04 2.99 2.87 2zh0H1 VAL 42 H 0.11 0.74 0.22 -0.55 8.24 8.76 2zh0H1 VAL 42 HA 0.07 0.09 0.68 -0.75 4.13 4.22 2zh0H1 VAL 42 HB 0.26 0.06 -0.18 -0.04 2.12 2.22 2zh0H1 VAL 42 HG13 0.13 -0.01 -0.12 -0.04 0.97 0.93 2zh0H1 VAL 42 HG23 -0.00 -0.01 -0.17 -0.04 0.95 0.72 2zh0H1 GLY 43 H 0.00 0.24 0.14 -0.55 8.43 8.27 2zh0H1 GLY 43 HA2 -0.03 0.15 0.86 -0.51 4.01 4.48 2zh0H1 GLY 43 HA3 -0.02 0.06 0.41 -0.51 4.01 3.95 2zh0H1 SER 44 H -0.05 0.41 0.28 -0.55 8.46 8.56 2zh0H1 SER 44 HA -0.05 0.15 0.71 -0.75 4.49 4.55 2zh0H1 SER 44 HB2 -0.07 0.12 -0.32 -0.04 3.95 3.65 2zh0H1 SER 44 HB3 -0.09 0.08 -0.06 -0.04 3.93 3.82 2zh0H1 MET 45 H -0.06 0.16 0.22 -0.55 8.47 8.25 2zh0H1 MET 45 HA -0.05 0.28 0.91 -0.75 4.52 4.91 2zh0H1 MET 45 HB2 -0.03 0.01 0.28 -0.04 2.15 2.38 2zh0H1 MET 45 HB3 -0.03 0.11 0.10 -0.04 2.03 2.16 2zh0H1 MET 45 HG2 -0.03 0.00 0.08 -0.04 2.63 2.64 2zh0H1 MET 45 HG3 -0.02 -0.07 -0.11 -0.04 2.56 2.32 2zh0H1 MET 45 HE3 -0.00 0.00 0.00 -0.04 2.10 2.06 2zh0H1 ASP 46 H -0.10 0.12 0.12 -0.55 8.40 7.98 2zh0H1 ASP 46 HA -0.06 0.15 1.00 -0.75 4.63 4.97 2zh0H1 ASP 46 HB2 -0.33 0.02 0.15 -0.04 2.71 2.51 2zh0H1 ASP 46 HB3 -0.54 -0.09 0.07 -0.04 2.70 2.10 2zh0H1 ALA 47 H -0.03 0.21 0.14 -0.55 8.40 8.17 2zh0H1 ALA 47 HA -0.08 0.16 0.43 -0.75 4.34 4.10 2zh0H1 ALA 47 HB3 -0.03 0.05 -0.00 -0.04 1.41 1.38 2zh0H1 HIS 48 H -0.01 0.08 -0.08 -0.55 8.41 7.86 2zh0H1 HIS 48 HA -0.01 0.15 0.39 -0.75 4.63 4.40 2zh0H1 HIS 48 HB2 0.01 0.08 0.05 -0.04 3.26 3.36 2zh0H1 HIS 48 HB3 -0.00 0.04 0.08 -0.04 3.20 3.28 2zh0H1 HIS 48 HD2 -0.00 0.04 -0.29 -0.04 6.97 6.67 2zh0H1 HIS 48 HE1 -0.01 0.05 0.01 -0.04 7.75 7.75 2zh0H1 LYS 49 H -0.54 0.08 -0.41 -0.55 8.42 6.99 2zh0H1 LYS 49 HA -0.09 0.14 0.56 -0.75 4.32 4.17 2zh0H1 LYS 49 HB2 -0.28 0.01 0.06 -0.04 1.87 1.62 2zh0H1 LYS 49 HB3 -0.12 0.09 -0.04 -0.04 1.79 1.68 2zh0H1 LYS 49 HG2 -0.06 0.08 0.01 -0.04 1.46 1.45 2zh0H1 LYS 49 HG3 -0.44 -0.07 -0.06 -0.04 1.46 0.85 2zh0H1 LYS 49 HD2 -0.22 -0.12 0.05 -0.04 1.69 1.35 2zh0H1 LYS 49 HD3 -0.08 0.08 0.04 -0.04 1.68 1.67 2zh0H1 LYS 49 HE2 0.04 0.06 0.00 -0.04 2.99 3.05 2zh0H1 LYS 49 HE3 0.15 -0.02 -0.01 -0.04 2.99 3.06 2zh0H1 VAL 50 H -0.14 0.23 -0.25 -0.55 8.24 7.52 2zh0H1 VAL 50 HA -0.12 0.08 0.41 -0.75 4.13 3.76 2zh0H1 VAL 50 HB -0.11 0.13 0.06 -0.04 2.12 2.15 2zh0H1 VAL 50 HG13 -0.13 0.02 -0.19 -0.04 0.97 0.62 2zh0H1 VAL 50 HG23 -0.09 0.04 -0.07 -0.04 0.95 0.79 2zh0H1 ILE 51 H -0.09 0.40 -0.19 -0.55 8.25 7.81 2zh0H1 ILE 51 HA -0.14 0.08 0.37 -0.75 4.18 3.74 2zh0H1 ILE 51 HB 0.01 0.07 0.07 -0.04 1.89 2.00 2zh0H1 ILE 51 HG12 -0.17 0.00 -0.08 -0.04 1.49 1.20 2zh0H1 ILE 51 HG13 -0.10 0.09 0.01 -0.04 1.21 1.17 2zh0H1 ILE 51 HG23 0.03 -0.00 -0.11 -0.04 0.93 0.81 2zh0H1 ILE 51 HD13 -0.04 -0.03 -0.12 -0.04 0.88 0.64 2zh0H1 ALA 52 H -0.03 0.33 -0.32 -0.55 8.40 7.83 2zh0H1 ALA 52 HA 0.01 0.03 0.41 -0.75 4.34 4.04 2zh0H1 ALA 52 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 2zh0H1 ALA 53 H -0.08 0.52 -0.26 -0.55 8.40 8.04 2zh0H1 ALA 53 HA 0.02 0.03 0.49 -0.75 4.34 4.13 2zh0H1 ALA 53 HB3 0.01 0.03 0.04 -0.04 1.41 1.45 2zh0H1 ILE 54 H -0.28 0.38 -0.34 -0.55 8.25 7.46 2zh0H1 ILE 54 HA -0.47 0.06 0.39 -0.75 4.18 3.40 2zh0H1 ILE 54 HB -0.27 0.08 0.05 -0.04 1.89 1.71 2zh0H1 ILE 54 HG12 -1.49 -0.02 -0.13 -0.04 1.49 -0.20 2zh0H1 ILE 54 HG13 -1.04 0.05 -0.07 -0.04 1.21 0.10 2zh0H1 ILE 54 HG23 -0.15 -0.01 -0.17 -0.04 0.93 0.55 2zh0H1 ILE 54 HD13 -0.32 -0.03 -0.18 -0.04 0.88 0.31 2zh0H1 GLU 55 H -0.06 0.41 -0.22 -0.55 8.60 8.19 2zh0H1 GLU 55 HA 0.01 0.06 0.36 -0.75 4.29 3.96 2zh0H1 GLU 55 HB2 0.02 0.07 0.06 -0.04 2.09 2.19 2zh0H1 GLU 55 HB3 0.02 0.03 0.10 -0.04 1.99 2.10 2zh0H1 GLU 55 HG2 0.04 0.01 -0.19 -0.04 2.34 2.16 2zh0H1 GLU 55 HG3 0.05 -0.02 -0.03 -0.04 2.34 2.30 2zh0H1 THR 56 H 0.02 0.51 -0.09 -0.55 8.28 8.17 2zh0H1 THR 56 HA 0.04 0.06 0.39 -0.75 4.39 4.12 2zh0H1 THR 56 HB 0.05 0.05 0.10 -0.04 4.32 4.48 2zh0H1 THR 56 HG23 0.04 -0.01 -0.04 -0.04 1.22 1.17 2zh0H1 ALA 57 H 0.09 0.43 -0.26 -0.55 8.40 8.11 2zh0H1 ALA 57 HA 0.09 0.01 0.48 -0.75 4.34 4.17 2zh0H1 ALA 57 HB3 0.25 0.03 0.05 -0.04 1.41 1.69 2zh0H1 SER 58 H 0.08 0.41 -0.37 -0.55 8.46 8.04 2zh0H1 SER 58 HA 0.08 -0.02 0.47 -0.75 4.49 4.27 2zh0H1 SER 58 HB2 0.05 0.12 0.05 -0.04 3.95 4.12 2zh0H1 SER 58 HB3 0.06 -0.12 -0.03 -0.04 3.93 3.80 2zh0H1 LYS 59 H 0.05 0.21 -0.37 -0.55 8.42 7.75 2zh0H1 LYS 59 HA 0.04 0.21 0.61 -0.75 4.32 4.43 2zh0H1 LYS 59 HB2 0.04 -0.00 0.11 -0.04 1.87 1.97 2zh0H1 LYS 59 HB3 0.03 -0.08 -0.02 -0.04 1.79 1.68 2zh0H1 LYS 59 HG2 0.04 0.06 -0.25 -0.04 1.46 1.27 2zh0H1 LYS 59 HG3 0.04 0.06 -0.12 -0.04 1.46 1.40 2zh0H1 LYS 59 HD2 0.04 -0.06 -0.11 -0.04 1.69 1.51 2zh0H1 LYS 59 HD3 0.04 -0.03 0.00 -0.04 1.68 1.64 2zh0H1 LYS 59 HE2 0.05 0.15 -0.02 -0.04 2.99 3.12 2zh0H1 LYS 59 HE3 0.05 -0.06 -0.08 -0.04 2.99 2.85 2zh0H1 LYS 60 H 0.05 0.42 -0.02 -0.55 8.42 8.32 2zh0H1 LYS 60 HA 0.03 -0.01 0.57 -0.75 4.32 4.15 2zh0H1 SER 61 H 0.05 0.33 -0.01 -0.55 8.46 8.28 2zh0H1 SER 61 HA 0.03 0.06 0.64 -0.75 4.49 4.47 2zh0H1 SER 61 HB2 0.04 -0.09 0.17 -0.04 3.95 4.02 2zh0H1 SER 61 HB3 0.04 -0.01 0.17 -0.04 3.93 4.08 2zh0H1 GLY 62 H 0.04 0.08 0.08 -0.55 8.43 8.09 2zh0H1 GLY 62 HA2 0.04 0.19 0.28 -0.51 4.01 4.00 2zh0H1 GLY 62 HA3 0.04 -0.04 0.28 -0.51 4.01 3.78 2zh0H1 VAL 63 H 0.05 0.08 -0.49 -0.55 8.24 7.33 2zh0H1 VAL 63 HA 0.07 -0.05 0.16 -0.75 4.13 3.56 2zh0H1 VAL 63 HB 0.07 0.07 0.06 -0.04 2.12 2.28 2zh0H1 VAL 63 HG13 0.08 -0.01 -0.23 -0.04 0.97 0.76 2zh0H1 VAL 63 HG23 0.07 -0.04 -0.26 -0.04 0.95 0.69 2zh0H1 ILE 64 H 0.05 0.55 -0.07 -0.55 8.25 8.22 2zh0H1 ILE 64 HA 0.04 0.15 0.91 -0.75 4.18 4.53 2zh0H1 ILE 64 HB 0.03 -0.13 -0.04 -0.04 1.89 1.71 2zh0H1 ILE 64 HG12 0.04 -0.06 -0.28 -0.04 1.49 1.15 2zh0H1 ILE 64 HG13 0.04 0.10 -0.50 -0.04 1.21 0.81 2zh0H1 ILE 64 HG23 0.04 -0.01 -0.24 -0.04 0.93 0.68 2zh0H1 ILE 64 HD13 0.04 -0.01 -0.21 -0.04 0.88 0.65 2zh0H1 GLN 65 H 0.03 0.02 0.07 -0.55 8.47 8.04 2zh0H1 GLN 65 HA 0.03 0.11 0.55 -0.75 4.36 4.30 2zh0H1 GLN 65 HB2 0.03 -0.10 0.13 -0.04 2.15 2.16 2zh0H1 GLN 65 HB3 0.03 -0.04 0.05 -0.04 2.02 2.02 2zh0H1 GLN 65 HG2 0.02 0.04 0.07 -0.04 2.40 2.49 2zh0H1 GLN 65 HG3 0.02 0.05 0.05 -0.04 2.39 2.46 2zh0H1 GLN 65 HE21 0.01 -0.03 0.01 -0.04 6.97 6.92 2zh0H1 GLN 65 HE22 0.02 0.06 0.01 -0.04 7.69 7.74 2zh0H1 SER 66 H 0.03 0.15 0.18 -0.55 8.46 8.28 2zh0H1 SER 66 HA 0.04 0.16 0.64 -0.75 4.49 4.58 2zh0H1 SER 66 HB2 0.02 -0.06 0.08 -0.04 3.95 3.95 2zh0H1 SER 66 HB3 0.03 -0.05 0.12 -0.04 3.93 3.99 2zh0H1 GLU 67 H 0.03 0.02 -0.18 -0.55 8.60 7.93 2zh0H1 GLU 67 HA 0.03 0.19 0.84 -0.75 4.29 4.60 2zh0H1 GLU 67 HB2 0.02 -0.02 -0.03 -0.04 2.09 2.02 2zh0H1 GLU 67 HB3 0.02 -0.00 0.05 -0.04 1.99 2.01 2zh0H1 GLU 67 HG2 0.02 0.04 -0.03 -0.04 2.34 2.33 2zh0H1 GLU 67 HG3 0.02 0.05 -0.22 -0.04 2.34 2.15 2zh0H1 GLY 68 H 0.04 0.13 0.12 -0.55 8.43 8.17 2zh0H1 GLY 68 HA2 0.06 0.04 0.34 -0.51 4.01 3.93 2zh0H1 GLY 68 HA3 0.05 0.05 0.50 -0.51 4.01 4.10 2zh0H1 TYR 69 H 0.14 0.04 0.18 -0.55 8.29 8.11 2zh0H1 TYR 69 HA 0.02 0.27 0.81 -0.75 4.56 4.91 2zh0H1 TYR 69 HB2 -0.01 0.04 -0.01 -0.04 3.06 3.05 2zh0H1 TYR 69 HB3 -0.02 -0.01 0.10 -0.04 2.98 3.01 2zh0H1 TYR 69 HD2 -0.03 0.03 -0.00 -0.04 7.15 7.10 2zh0H1 TYR 69 HE2 -0.05 0.03 -0.06 -0.04 6.85 6.73 2zh0H1 ARG 70 H 0.04 0.05 0.15 -0.55 8.46 8.15 2zh0H1 ARG 70 HA -0.15 0.08 0.34 -0.75 4.34 3.86 2zh0H1 ARG 70 HB2 -0.02 0.02 0.16 -0.04 1.90 2.02 2zh0H1 ARG 70 HB3 -0.01 -0.01 0.14 -0.04 1.80 1.89 2zh0H1 ARG 70 HG2 -0.03 0.03 -0.25 -0.04 1.67 1.38 2zh0H1 ARG 70 HG3 -0.04 0.01 0.01 -0.04 1.67 1.62 2zh0H1 ARG 70 HD2 -0.01 -0.01 0.03 -0.04 3.22 3.18 2zh0H1 ARG 70 HD3 -0.01 0.04 -0.00 -0.04 3.22 3.21 2zh0H1 GLU 71 H -0.00 0.16 -0.17 -0.55 8.60 8.04 2zh0H1 GLU 71 HA -0.02 0.10 0.51 -0.75 4.29 4.13 2zh0H1 GLU 71 HB2 0.02 0.09 0.05 -0.04 2.09 2.21 2zh0H1 GLU 71 HB3 0.01 0.06 0.07 -0.04 1.99 2.09 2zh0H1 GLU 71 HG2 -0.01 0.05 0.02 -0.04 2.34 2.36 2zh0H1 GLU 71 HG3 0.00 -0.07 0.03 -0.04 2.34 2.26 2zh0H1 SER 72 H 0.02 0.16 -0.26 -0.55 8.46 7.84 2zh0H1 SER 72 HA 0.04 0.12 0.56 -0.75 4.49 4.46 2zh0H1 SER 72 HB2 0.15 0.05 0.07 -0.04 3.95 4.18 2zh0H1 SER 72 HB3 0.11 -0.04 0.01 -0.04 3.93 3.97 2zh0H1 HIS 73 H -0.13 0.62 -0.16 -0.55 8.41 8.20 2zh0H1 HIS 73 HA -0.15 0.02 0.49 -0.75 4.63 4.25 2zh0H1 HIS 73 HB2 -1.32 -0.02 -0.04 -0.04 3.26 1.85 2zh0H1 HIS 73 HB3 -0.37 0.20 0.07 -0.04 3.20 3.06 2zh0H1 HIS 73 HD2 -0.14 0.06 -0.15 -0.04 6.97 6.69 2zh0H1 HIS 73 HE1 0.29 0.01 -0.02 -0.04 7.75 7.99 2zh0H1 ALA 74 H -0.03 0.33 -0.15 -0.55 8.40 8.01 2zh0H1 ALA 74 HA -0.10 0.04 0.49 -0.75 4.34 4.02 2zh0H1 ALA 74 HB3 -0.09 0.05 0.08 -0.04 1.41 1.42 2zh0H1 LEU 75 H -0.00 0.29 -0.43 -0.55 8.37 7.68 2zh0H1 LEU 75 HA -0.00 0.06 0.45 -0.75 4.35 4.10 2zh0H1 LEU 75 HB2 0.02 0.10 0.04 -0.04 1.64 1.76 2zh0H1 LEU 75 HB3 0.03 0.09 0.06 -0.04 1.64 1.78 2zh0H1 LEU 75 HG -0.01 -0.07 -0.22 -0.04 1.64 1.30 2zh0H1 LEU 75 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.80 2zh0H1 LEU 75 HD23 0.02 0.02 -0.13 -0.04 0.89 0.76 2zh0H1 TYR 76 H 0.06 0.39 -0.27 -0.55 8.29 7.92 2zh0H1 TYR 76 HA -0.10 0.03 0.37 -0.75 4.56 4.10 2zh0H1 TYR 76 HB2 -0.09 0.09 0.09 -0.04 3.06 3.12 2zh0H1 TYR 76 HB3 -0.28 0.07 0.13 -0.04 2.98 2.86 2zh0H1 TYR 76 HD2 -0.47 0.03 -0.13 -0.04 7.15 6.53 2zh0H1 TYR 76 HE2 -0.15 -0.01 -0.06 -0.04 6.85 6.59 2zh0H1 HIS 77 H 0.02 0.50 -0.17 -0.55 8.41 8.22 2zh0H1 HIS 77 HA -0.12 0.04 0.48 -0.75 4.63 4.27 2zh0H1 HIS 77 HB2 -0.14 0.09 0.09 -0.04 3.26 3.27 2zh0H1 HIS 77 HB3 -0.06 -0.02 -0.01 -0.04 3.20 3.08 2zh0H1 HIS 77 HD2 -0.99 0.32 0.09 -0.04 6.97 6.34 2zh0H1 HIS 77 HE1 0.10 -0.01 -0.02 -0.04 7.75 7.78 2zh0H1 ALA 78 H 0.01 0.40 -0.30 -0.55 8.40 7.97 2zh0H1 ALA 78 HA 0.03 -0.03 0.26 -0.75 4.34 3.85 2zh0H1 ALA 78 HB3 0.02 0.07 -0.10 -0.04 1.41 1.36 2zh0H1 THR 79 H -0.10 0.50 -0.33 -0.55 8.28 7.81 2zh0H1 THR 79 HA -0.08 0.04 0.38 -0.75 4.39 3.98 2zh0H1 THR 79 HB -0.26 0.13 0.10 -0.04 4.32 4.25 2zh0H1 THR 79 HG23 -0.17 -0.03 -0.14 -0.04 1.22 0.83 2zh0H1 MET 80 H -0.27 0.57 -0.17 -0.55 8.47 8.06 2zh0H1 MET 80 HA -0.20 -0.03 0.41 -0.75 4.52 3.95 2zh0H1 MET 80 HB2 -0.20 0.19 0.16 -0.04 2.15 2.26 2zh0H1 MET 80 HB3 -0.11 -0.05 -0.02 -0.04 2.03 1.81 2zh0H1 MET 80 HG2 -0.46 -0.08 -0.01 -0.04 2.63 2.05 2zh0H1 MET 80 HG3 -1.03 0.13 -0.00 -0.04 2.56 1.61 2zh0H1 MET 80 HE3 0.02 0.00 -0.04 -0.04 2.10 2.04 2zh0H1 GLU 81 H 0.00 0.48 -0.20 -0.55 8.60 8.33 2zh0H1 GLU 81 HA 0.25 0.04 0.54 -0.75 4.29 4.35 2zh0H1 GLU 81 HB2 0.05 0.03 0.17 -0.04 2.09 2.30 2zh0H1 GLU 81 HB3 0.07 -0.00 0.13 -0.04 1.99 2.14 2zh0H1 GLU 81 HG2 0.10 -0.05 0.01 -0.04 2.34 2.36 2zh0H1 GLU 81 HG3 0.07 0.19 -0.04 -0.04 2.34 2.51 2zh0H1 ALA 82 H 0.01 0.46 -0.28 -0.55 8.40 8.04 2zh0H1 ALA 82 HA 0.06 -0.04 0.25 -0.75 4.34 3.86 2zh0H1 ALA 82 HB3 0.02 0.06 -0.08 -0.04 1.41 1.36 2zh0H1 LEU 83 H -0.04 0.51 -0.21 -0.55 8.37 8.08 2zh0H1 LEU 83 HA -0.04 0.04 0.37 -0.75 4.35 3.97 2zh0H1 LEU 83 HB2 -0.14 0.12 0.09 -0.04 1.64 1.67 2zh0H1 LEU 83 HB3 -0.12 -0.08 -0.04 -0.04 1.64 1.35 2zh0H1 LEU 83 HG -0.11 0.15 -0.09 -0.04 1.64 1.55 2zh0H1 LEU 83 HD13 -0.14 -0.03 -0.13 -0.04 0.93 0.58 2zh0H1 LEU 83 HD23 -0.08 -0.02 -0.11 -0.04 0.89 0.63 2zh0H1 HIS 84 H 0.07 0.32 -0.55 -0.55 8.41 7.71 2zh0H1 HIS 84 HA 0.00 -0.05 0.47 -0.75 4.63 4.31 2zh0H1 HIS 84 HB2 0.01 0.32 0.14 -0.04 3.26 3.69 2zh0H1 HIS 84 HB3 0.02 -0.02 -0.04 -0.04 3.20 3.11 2zh0H1 HIS 84 HD2 0.01 -0.09 0.01 -0.04 6.97 6.85 2zh0H1 HIS 84 HE1 0.01 -0.03 -0.05 -0.04 7.75 7.64 2zh0H1 GLY 85 H 0.11 0.27 -0.15 -0.55 8.43 8.12 2zh0H1 GLY 85 HA2 0.09 -0.00 0.50 -0.51 4.01 4.09 2zh0H1 GLY 85 HA3 0.10 -0.01 0.38 -0.51 4.01 3.98 2zh0H1 VAL 86 H 0.05 0.08 -0.30 -0.55 8.24 7.52 2zh0H1 VAL 86 HA 0.04 0.05 0.41 -0.75 4.13 3.88 2zh0H1 VAL 86 HB -0.02 -0.00 0.04 -0.04 2.12 2.10 2zh0H1 VAL 86 HG13 -0.03 -0.03 -0.25 -0.04 0.97 0.62 2zh0H1 VAL 86 HG23 0.01 0.01 -0.27 -0.04 0.95 0.65 2zh0H1 THR 87 H 0.01 0.37 -0.17 -0.55 8.28 7.94 2zh0H1 THR 87 HA -0.00 0.15 0.52 -0.75 4.39 4.30 2zh0H1 THR 87 HB -0.02 0.24 -0.11 -0.04 4.32 4.39 2zh0H1 THR 87 HG23 -0.05 -0.05 -0.12 -0.04 1.22 0.96 2zh0H1 ARG 88 H 0.05 0.40 0.00 -0.55 8.46 8.36 2zh0H1 ARG 88 HA 0.08 -0.01 0.38 -0.75 4.34 4.03 2zh0H1 ARG 88 HB2 0.06 0.15 -0.07 -0.04 1.90 1.99 2zh0H1 ARG 88 HB3 0.05 -0.09 0.11 -0.04 1.80 1.83 2zh0H1 ARG 88 HG2 0.06 -0.12 0.03 -0.04 1.67 1.60 2zh0H1 ARG 88 HG3 0.07 0.17 -0.21 -0.04 1.67 1.66 2zh0H1 ARG 88 HD2 0.07 -0.10 -0.02 -0.04 3.22 3.13 2zh0H1 ARG 88 HD3 0.08 -0.06 0.02 -0.04 3.22 3.21 2zh0H1 GLY 89 H 0.10 0.08 -0.07 -0.55 8.43 7.99 2zh0H1 GLY 89 HA2 0.06 -0.04 0.32 -0.51 4.01 3.84 2zh0H1 GLY 89 HA3 0.04 0.26 0.92 -0.51 4.01 4.73 2zh0H1 GLU 90 H 0.02 0.42 -0.28 -0.55 8.60 8.22 2zh0H1 GLU 90 HA 0.01 0.12 0.87 -0.75 4.29 4.53 2zh0H1 GLU 90 HB2 0.00 0.08 0.07 -0.04 2.09 2.21 2zh0H1 GLU 90 HB3 0.00 -0.04 -0.07 -0.04 1.99 1.83 2zh0H1 GLU 90 HG2 0.02 -0.03 -0.30 -0.04 2.34 1.99 2zh0H1 GLU 90 HG3 0.01 0.02 -0.06 -0.04 2.34 2.27 2zh0H1 MET 91 H -0.04 0.18 -0.02 -0.55 8.47 8.04 2zh0H1 MET 91 HA -0.08 0.15 0.34 -0.75 4.52 4.18 2zh0H1 MET 91 HB2 -0.17 0.03 0.03 -0.04 2.15 1.99 2zh0H1 MET 91 HB3 -0.08 -0.03 0.17 -0.04 2.03 2.04 2zh0H1 MET 91 HG2 -0.10 -0.09 -0.04 -0.04 2.63 2.36 2zh0H1 MET 91 HG3 -0.16 0.09 -0.12 -0.04 2.56 2.34 2zh0H1 MET 91 HE3 -0.64 0.04 -0.13 -0.04 2.10 1.33 2zh0H1 LEU 92 H -0.03 0.81 0.15 -0.55 8.37 8.76 2zh0H1 LEU 92 HA -0.02 -0.01 0.76 -0.75 4.35 4.33 2zh0H1 LEU 92 HB2 -0.01 0.14 -0.15 -0.04 1.64 1.58 2zh0H1 LEU 92 HB3 -0.01 -0.16 -0.11 -0.04 1.64 1.33 2zh0H1 LEU 92 HG -0.01 -0.09 -0.67 -0.04 1.64 0.84 2zh0H1 LEU 92 HD13 0.00 0.02 -0.16 -0.04 0.93 0.75 2zh0H1 LEU 92 HD23 0.00 0.01 -0.03 -0.04 0.89 0.83 2zh0H1 LEU 93 H -0.02 -0.05 0.07 -0.55 8.37 7.83 2zh0H1 LEU 93 HA -0.03 0.35 0.85 -0.75 4.35 4.76 2zh0H1 LEU 93 HB2 -0.04 -0.11 -0.07 -0.04 1.64 1.39 2zh0H1 LEU 93 HB3 -0.04 0.23 -0.06 -0.04 1.64 1.73 2zh0H1 LEU 93 HG -0.05 -0.14 -0.42 -0.04 1.64 1.00 2zh0H1 LEU 93 HD13 -0.06 -0.02 -0.41 -0.04 0.93 0.39 2zh0H1 LEU 93 HD23 -0.05 0.09 -0.25 -0.04 0.89 0.63 2zh0H1 GLY 94 H -0.02 0.55 0.40 -0.55 8.43 8.81 2zh0H1 GLY 94 HA2 -0.02 0.12 0.56 -0.51 4.01 4.16 2zh0H1 GLY 94 HA3 -0.01 0.07 0.49 -0.51 4.01 4.05 2zh0H1 SER 95 H -0.00 -0.04 -0.10 -0.55 8.46 7.77 2zh0H1 SER 95 HA 0.00 0.16 0.60 -0.75 4.49 4.49 2zh0H1 SER 95 HB2 0.00 0.07 0.08 -0.04 3.95 4.07 2zh0H1 SER 95 HB3 0.01 -0.03 0.10 -0.04 3.93 3.96 2zh0H1 LEU 96 H -0.01 0.18 -0.52 -0.55 8.37 7.47 2zh0H1 LEU 96 HA -0.00 0.18 0.75 -0.75 4.35 4.53 2zh0H1 LEU 96 HB2 -0.01 0.10 -0.12 -0.04 1.64 1.58 2zh0H1 LEU 96 HB3 -0.00 0.04 0.11 -0.04 1.64 1.75 2zh0H1 LEU 96 HG -0.00 -0.18 -0.26 -0.04 1.64 1.15 2zh0H1 LEU 96 HD13 0.00 0.03 -0.04 -0.04 0.93 0.88 2zh0H1 LEU 96 HD23 0.00 0.04 -0.05 -0.04 0.89 0.84 2zh0H1 LEU 97 H -0.01 0.17 -0.44 -0.55 8.37 7.55 2zh0H1 LEU 97 HA -0.01 0.01 0.37 -0.75 4.35 3.96 2zh0H1 LEU 97 HB2 -0.01 -0.04 -0.15 -0.04 1.64 1.40 2zh0H1 LEU 97 HB3 -0.01 0.11 0.10 -0.04 1.64 1.80 2zh0H1 LEU 97 HG -0.01 -0.01 0.10 -0.04 1.64 1.67 2zh0H1 LEU 97 HD13 -0.01 -0.01 0.05 -0.04 0.93 0.92 2zh0H1 LEU 97 HD23 -0.01 -0.01 0.04 -0.04 0.89 0.87 2zh0H1 ARG 98 H -0.02 0.46 -0.11 -0.55 8.46 8.23 2zh0H1 ARG 98 HA -0.04 0.22 0.46 -0.75 4.34 4.23 2zh0H1 ARG 98 HB2 -0.05 -0.03 0.09 -0.04 1.90 1.86 2zh0H1 ARG 98 HB3 -0.03 0.10 -0.08 -0.04 1.80 1.75 2zh0H1 ARG 98 HG2 -0.02 0.05 -0.16 -0.04 1.67 1.50 2zh0H1 ARG 98 HG3 -0.04 -0.20 -0.09 -0.04 1.67 1.30 2zh0H1 ARG 98 HD2 -0.04 -0.01 -0.03 -0.04 3.22 3.10 2zh0H1 ARG 98 HD3 -0.02 0.01 -0.04 -0.04 3.22 3.13 2zh0H1 THR 99 H -0.06 0.66 0.33 -0.55 8.28 8.66 2zh0H1 THR 99 HA -0.05 0.02 0.95 -0.75 4.39 4.56 2zh0H1 THR 99 HB -0.04 -0.08 -0.23 -0.04 4.32 3.93 2zh0H1 THR 99 HG23 -0.05 0.05 -0.30 -0.04 1.22 0.89 2zh0H1 VAL 100 H -0.06 0.59 0.38 -0.55 8.24 8.61 2zh0H1 VAL 100 HA -0.08 0.48 1.24 -0.75 4.13 5.02 2zh0H1 VAL 100 HB -0.07 0.00 0.01 -0.04 2.12 2.02 2zh0H1 VAL 100 HG13 -0.07 0.01 -0.18 -0.04 0.97 0.69 2zh0H1 VAL 100 HG23 -0.06 -0.04 0.02 -0.04 0.95 0.83 2zh0H1 GLY 101 H -0.10 0.63 0.26 -0.55 8.43 8.67 2zh0H1 GLY 101 HA2 -0.06 0.08 0.83 -0.51 4.01 4.36 2zh0H1 GLY 101 HA3 -0.08 0.02 0.44 -0.51 4.01 3.88 2zh0H1 LEU 102 H -0.03 0.47 0.21 -0.55 8.37 8.47 2zh0H1 LEU 102 HA -0.11 0.20 0.65 -0.75 4.35 4.34 2zh0H1 LEU 102 HB2 -0.01 0.00 0.07 -0.04 1.64 1.67 2zh0H1 LEU 102 HB3 0.07 -0.03 -0.13 -0.04 1.64 1.52 2zh0H1 LEU 102 HG -0.04 0.04 -0.27 -0.04 1.64 1.33 2zh0H1 LEU 102 HD13 -0.10 -0.02 -0.30 -0.04 0.93 0.47 2zh0H1 LEU 102 HD23 -0.03 -0.02 -0.19 -0.04 0.89 0.62 2zh0H1 ARG 103 H -0.03 1.12 0.57 -0.55 8.46 9.57 2zh0H1 ARG 103 HA -0.04 0.09 0.96 -0.75 4.34 4.60 2zh0H1 ARG 103 HB2 -0.02 -0.04 0.12 -0.04 1.90 1.92 2zh0H1 ARG 103 HB3 0.04 0.03 0.22 -0.04 1.80 2.05 2zh0H1 ARG 103 HG2 -0.08 0.01 -0.02 -0.04 1.67 1.54 2zh0H1 ARG 103 HG3 -0.11 -0.03 0.09 -0.04 1.67 1.58 2zh0H1 ARG 103 HD2 -0.02 -0.06 0.02 -0.04 3.22 3.12 2zh0H1 ARG 103 HD3 0.02 0.14 0.04 -0.04 3.22 3.37 2zh0H1 PHE 104 H -0.38 0.80 0.39 -0.55 8.34 8.59 2zh0H1 PHE 104 HA 0.01 0.27 1.25 -0.75 4.62 5.39 2zh0H1 PHE 104 HB2 -0.00 0.10 0.04 -0.04 3.15 3.25 2zh0H1 PHE 104 HB3 -0.01 -0.09 -0.14 -0.04 3.06 2.78 2zh0H1 PHE 104 HD2 -0.01 -0.00 -0.34 -0.04 7.28 6.89 2zh0H1 PHE 104 HE2 -0.01 0.01 -0.37 -0.04 7.38 6.98 2zh0H1 PHE 104 HZ -0.00 0.11 -0.27 -0.04 7.32 7.12 2zh0H1 ALA 105 H 0.15 0.49 0.38 -0.55 8.40 8.88 2zh0H1 ALA 105 HA 0.03 0.35 1.07 -0.75 4.34 5.03 2zh0H1 ALA 105 HB3 -0.00 -0.01 0.06 -0.04 1.41 1.42 2zh0H1 VAL 106 H 0.08 0.65 0.33 -0.55 8.24 8.75 2zh0H1 VAL 106 HA 0.07 0.36 1.17 -0.75 4.13 4.97 2zh0H1 VAL 106 HB 0.11 -0.06 0.17 -0.04 2.12 2.30 2zh0H1 VAL 106 HG13 0.07 0.00 -0.15 -0.04 0.97 0.85 2zh0H1 VAL 106 HG23 0.16 -0.00 -0.16 -0.04 0.95 0.91 2zh0H1 LEU 107 H 0.01 0.45 0.30 -0.55 8.37 8.57 2zh0H1 LEU 107 HA 0.03 0.32 1.06 -0.75 4.35 5.01 2zh0H1 LEU 107 HB2 -0.16 -0.01 0.13 -0.04 1.64 1.56 2zh0H1 LEU 107 HB3 -0.28 -0.01 -0.07 -0.04 1.64 1.24 2zh0H1 LEU 107 HG -0.19 0.04 -0.09 -0.04 1.64 1.36 2zh0H1 LEU 107 HD13 -0.11 -0.01 -0.18 -0.04 0.93 0.59 2zh0H1 LEU 107 HD23 -0.75 0.00 -0.19 -0.04 0.89 -0.09 2zh0H1 ARG 108 H 0.24 0.36 0.35 -0.55 8.46 8.86 2zh0H1 ARG 108 HA 0.26 0.32 1.05 -0.75 4.34 5.21 2zh0H1 ARG 108 HB2 0.13 -0.01 -0.12 -0.04 1.90 1.86 2zh0H1 ARG 108 HB3 0.16 -0.04 0.17 -0.04 1.80 2.05 2zh0H1 ARG 108 HG2 0.17 -0.08 -0.01 -0.04 1.67 1.70 2zh0H1 ARG 108 HG3 0.14 0.01 -0.00 -0.04 1.67 1.77 2zh0H1 ARG 108 HD2 0.08 0.07 0.01 -0.04 3.22 3.34 2zh0H1 ARG 108 HD3 0.09 0.04 0.06 -0.04 3.22 3.37 2zh0H1 GLY 109 H 0.36 0.52 0.42 -0.55 8.43 9.19 2zh0H1 GLY 109 HA2 0.11 0.02 0.43 -0.51 4.01 4.07 2zh0H1 GLY 109 HA3 0.05 0.26 0.67 -0.51 4.01 4.48 2zh0H1 ASN 110 H -0.08 0.21 0.14 -0.55 8.53 8.25 2zh0H1 ASN 110 HA 0.35 0.26 0.81 -0.75 4.76 5.43 2zh0H1 ASN 110 HB2 0.12 -0.09 -0.12 -0.04 2.88 2.74 2zh0H1 ASN 110 HB3 0.00 0.01 0.13 -0.04 2.79 2.90 2zh0H1 ASN 110 HD21 0.15 0.21 0.05 -0.04 7.03 7.40 2zh0H1 ASN 110 HD22 0.08 -0.02 0.00 -0.04 7.74 7.77 2zh0H1 PRO 111 HA 0.12 0.25 0.74 -0.51 4.44 5.04 2zh0H1 PRO 111 HB2 -0.29 -0.10 0.09 -0.04 2.28 1.94 2zh0H1 PRO 111 HB3 0.18 0.01 0.18 -0.04 2.02 2.35 2zh0H1 PRO 111 HG2 -0.77 -0.01 0.02 -0.04 2.03 1.23 2zh0H1 PRO 111 HG3 -0.03 0.01 0.07 -0.04 2.03 2.04 2zh0H1 PRO 111 HD2 0.17 0.08 0.21 -0.04 3.68 4.10 2zh0H1 PRO 111 HD3 0.36 0.36 0.46 -0.04 3.65 4.79 2zh0H1 TYR 112 H 0.18 0.13 -0.17 -0.55 8.29 7.88 2zh0H1 TYR 112 HA 0.01 -0.04 0.84 -0.75 4.56 4.61 2zh0H1 TYR 112 HB2 0.03 0.08 0.01 -0.04 3.06 3.14 2zh0H1 TYR 112 HB3 -0.00 -0.01 0.09 -0.04 2.98 3.02 2zh0H1 TYR 112 HD2 -0.13 0.09 -0.24 -0.04 7.15 6.83 2zh0H1 TYR 112 HE2 -1.30 0.01 -0.07 -0.04 6.85 5.45 2zh0H1 GLU 113 H 0.18 0.44 0.18 -0.55 8.60 8.86 2zh0H1 GLU 113 HA 0.15 0.08 0.52 -0.75 4.29 4.28 2zh0H1 GLU 113 HB2 0.08 0.03 0.13 -0.04 2.09 2.29 2zh0H1 GLU 113 HB3 0.08 -0.02 0.02 -0.04 1.99 2.02 2zh0H1 GLU 113 HG2 0.08 -0.07 0.01 -0.04 2.34 2.32 2zh0H1 GLU 113 HG3 0.08 0.07 -0.11 -0.04 2.34 2.35 2zh0H1 SER 114 H 0.11 0.12 -0.00 -0.55 8.46 8.14 2zh0H1 SER 114 HA 0.05 0.09 0.52 -0.75 4.49 4.39 2zh0H1 SER 114 HB2 0.03 0.10 0.11 -0.04 3.95 4.15 2zh0H1 SER 114 HB3 0.03 0.01 0.12 -0.04 3.93 4.05 2zh0H1 GLU 115 H 0.04 0.22 0.21 -0.55 8.60 8.52 2zh0H1 GLU 115 HA 0.05 0.16 0.44 -0.75 4.29 4.19 2zh0H1 ALA 116 H 0.04 -0.01 -0.42 -0.55 8.40 7.45 2zh0H1 ALA 116 HA 0.03 0.14 0.53 -0.75 4.34 4.28 2zh0H1 ALA 116 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 2zh0H1 GLU 117 H 0.08 0.32 -0.34 -0.55 8.60 8.12 2zh0H1 GLU 117 HA 0.11 0.06 0.40 -0.75 4.29 4.10 2zh0H1 GLU 117 HB2 0.21 0.11 0.07 -0.04 2.09 2.43 2zh0H1 GLU 117 HB3 0.27 0.00 0.02 -0.04 1.99 2.24 2zh0H1 GLU 117 HG2 -0.04 -0.12 -0.00 -0.04 2.34 2.14 2zh0H1 GLU 117 HG3 -0.30 -0.05 0.02 -0.04 2.34 1.97 2zh0H1 GLY 118 H 0.15 0.07 -0.29 -0.55 8.43 7.81 2zh0H1 GLY 118 HA2 0.10 0.04 0.26 -0.51 4.01 3.90 2zh0H1 GLY 118 HA3 0.07 0.09 0.28 -0.51 4.01 3.94 2zh0H1 ASP 119 H 0.07 0.11 0.14 -0.55 8.40 8.17 2zh0H1 ASP 119 HA 0.25 -0.02 0.13 -0.75 4.63 4.24 2zh0H1 ASP 119 HB2 0.05 0.04 0.16 -0.04 2.71 2.92 2zh0H1 ASP 119 HB3 0.12 0.08 0.01 -0.04 2.70 2.87 2zh0H1 TRP 120 H 0.50 0.65 0.33 -0.55 7.97 8.90 2zh0H1 TRP 120 HA 0.14 0.02 1.01 -0.75 4.62 5.04 2zh0H1 TRP 120 HB2 0.20 0.05 0.17 -0.04 3.23 3.61 2zh0H1 TRP 120 HB3 0.15 -0.01 0.10 -0.04 3.23 3.43 2zh0H1 TRP 120 HD1 0.23 0.28 -0.15 -0.04 7.22 7.54 2zh0H1 TRP 120 HE1 0.09 0.07 -0.11 -0.04 10.20 10.22 2zh0H1 TRP 120 HE3 0.16 0.02 -0.32 -0.04 7.59 7.41 2zh0H1 TRP 120 HZ2 -0.09 0.01 -0.00 -0.04 7.44 7.32 2zh0H1 TRP 120 HZ3 0.18 0.00 -0.09 -0.04 7.13 7.18 2zh0H1 TRP 120 HH2 0.07 -0.01 -0.01 -0.04 7.19 7.21 2zh0H1 ILE 121 H 0.29 0.81 0.42 -0.55 8.25 9.23 2zh0H1 ILE 121 HA 0.17 0.36 1.16 -0.75 4.18 5.12 2zh0H1 ILE 121 HB 0.08 -0.04 -0.17 -0.04 1.89 1.72 2zh0H1 ILE 121 HG12 0.06 -0.06 -0.18 -0.04 1.49 1.28 2zh0H1 ILE 121 HG13 0.09 0.20 0.03 -0.04 1.21 1.50 2zh0H1 ILE 121 HG23 0.04 0.02 -0.14 -0.04 0.93 0.81 2zh0H1 ILE 121 HD13 0.05 -0.02 -0.18 -0.04 0.88 0.69 2zh0H1 ALA 122 H 0.08 0.71 0.32 -0.55 8.40 8.97 2zh0H1 ALA 122 HA 0.07 0.31 1.02 -0.75 4.34 4.99 2zh0H1 ALA 122 HB3 -0.00 -0.04 -0.07 -0.04 1.41 1.26 2zh0H1 VAL 123 H 0.05 0.71 0.28 -0.55 8.24 8.73 2zh0H1 VAL 123 HA 0.05 0.29 1.11 -0.75 4.13 4.82 2zh0H1 VAL 123 HB 0.01 -0.02 -0.06 -0.04 2.12 2.00 2zh0H1 VAL 123 HG13 -0.02 -0.00 -0.18 -0.04 0.97 0.72 2zh0H1 VAL 123 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 2zh0H1 SER 124 H 0.08 0.72 0.37 -0.55 8.46 9.08 2zh0H1 SER 124 HA 0.09 0.31 1.20 -0.75 4.49 5.34 2zh0H1 SER 124 HB2 0.07 0.03 0.08 -0.04 3.95 4.09 2zh0H1 SER 124 HB3 0.12 0.01 -0.00 -0.04 3.93 4.02 2zh0H1 LEU 125 H 0.13 0.68 0.39 -0.55 8.37 9.03 2zh0H1 LEU 125 HA 0.11 0.20 1.00 -0.75 4.35 4.91 2zh0H1 LEU 125 HB2 0.05 -0.01 -0.05 -0.04 1.64 1.58 2zh0H1 LEU 125 HB3 0.02 -0.02 -0.15 -0.04 1.64 1.45 2zh0H1 LEU 125 HG 0.03 -0.02 -0.47 -0.04 1.64 1.14 2zh0H1 LEU 125 HD13 -0.03 0.00 -0.33 -0.04 0.93 0.53 2zh0H1 LEU 125 HD23 0.00 0.02 -0.19 -0.04 0.89 0.67 2zh0H1 TYR 126 H 0.06 0.77 0.40 -0.55 8.29 8.96 2zh0H1 TYR 126 HA -0.46 0.33 0.94 -0.75 4.56 4.63 2zh0H1 TYR 126 HB2 -0.50 -0.05 0.01 -0.04 3.06 2.49 2zh0H1 TYR 126 HB3 -0.18 0.04 0.11 -0.04 2.98 2.90 2zh0H1 TYR 126 HD2 -1.01 0.04 0.01 -0.04 7.15 6.15 2zh0H1 TYR 126 HE2 -0.13 -0.03 -0.01 -0.04 6.85 6.64 2zh0H1 GLY 127 H -0.89 0.48 0.30 -0.55 8.43 7.77 2zh0H1 GLY 127 HA2 -0.70 0.04 0.38 -0.51 4.01 3.22 2zh0H1 GLY 127 HA3 -0.33 0.19 0.72 -0.51 4.01 4.08 2zh0H1 THR 128 H -0.20 0.25 0.19 -0.55 8.28 7.96 2zh0H1 THR 128 HA -0.18 0.20 1.03 -0.75 4.39 4.69 2zh0H1 THR 128 HB -0.12 0.11 -0.11 -0.04 4.32 4.16 2zh0H1 THR 128 HG23 -0.13 -0.02 -0.25 -0.04 1.22 0.78 2zh0H1 ILE 129 H -0.19 0.72 0.29 -0.55 8.25 8.52 2zh0H1 ILE 129 HA -0.12 0.32 0.94 -0.75 4.18 4.56 2zh0H1 ILE 129 HB -0.10 -0.08 -0.07 -0.04 1.89 1.59 2zh0H1 ILE 129 HG12 -0.10 -0.01 -0.07 -0.04 1.49 1.27 2zh0H1 ILE 129 HG13 -0.09 0.03 0.00 -0.04 1.21 1.11 2zh0H1 ILE 129 HG23 -0.21 0.04 -0.00 -0.04 0.93 0.72 2zh0H1 ILE 129 HD13 -0.04 0.02 -0.08 -0.04 0.88 0.73 2zh0H1 GLY 130 H -0.10 0.47 0.35 -0.55 8.43 8.59 2zh0H1 GLY 130 HA2 -0.13 -0.02 0.50 -0.51 4.01 3.86 2zh0H1 GLY 130 HA3 -0.11 0.21 0.71 -0.51 4.01 4.31 2zh0H1 ALA 131 H -0.05 0.29 0.30 -0.55 8.40 8.39 2zh0H1 ALA 131 HA -0.03 0.14 0.56 -0.75 4.34 4.25 2zh0H1 ALA 131 HB3 -0.02 -0.03 0.17 -0.04 1.41 1.49 2zh0H1 PRO 132 HA -0.03 0.04 0.30 -0.51 4.44 4.24 2zh0H1 PRO 132 HB2 -0.02 -0.04 -0.01 -0.04 2.28 2.18 2zh0H1 PRO 132 HB3 -0.02 -0.01 0.03 -0.04 2.02 1.97 2zh0H1 PRO 132 HG2 -0.02 0.01 0.05 -0.04 2.03 2.04 2zh0H1 PRO 132 HG3 -0.02 0.01 0.01 -0.04 2.03 1.99 2zh0H1 PRO 132 HD2 -0.02 0.06 0.20 -0.04 3.68 3.88 2zh0H1 PRO 132 HD3 -0.02 0.22 0.09 -0.04 3.65 3.90 2zh0H1 ILE 133 H -0.02 -0.00 -0.34 -0.55 8.25 7.33 2zh0H1 ILE 133 HA -0.02 -0.00 0.43 -0.75 4.18 3.83 2zh0H1 ILE 133 HB -0.01 0.02 -0.00 -0.04 1.89 1.86 2zh0H1 ILE 133 HG12 -0.01 0.01 0.00 -0.04 1.49 1.45 2zh0H1 ILE 133 HG13 -0.01 -0.03 -0.01 -0.04 1.21 1.11 2zh0H1 ILE 133 HG23 -0.01 -0.03 -0.05 -0.04 0.93 0.80 2zh0H1 ILE 133 HD13 -0.01 0.01 -0.01 -0.04 0.88 0.83 2zh0H1 LYS 134 H -0.02 0.04 0.10 -0.55 8.42 7.99 2zh0H1 LYS 134 HA -0.03 0.20 0.32 -0.75 4.32 4.06 2zh0H1 GLY 135 H -0.01 0.05 -0.03 -0.55 8.43 7.89 2zh0H1 GLY 135 HA2 -0.01 0.11 0.16 -0.51 4.01 3.75 2zh0H1 GLY 135 HA3 -0.01 -0.02 0.28 -0.51 4.01 3.75 2zh0H1 LEU 136 H -0.02 0.20 -1.06 -0.55 8.37 6.94 2zh0H1 LEU 136 HA -0.01 0.12 0.81 -0.75 4.35 4.52 2zh0H1 LEU 136 HB2 -0.02 0.14 0.08 -0.04 1.64 1.80 2zh0H1 LEU 136 HB3 -0.01 -0.03 0.12 -0.04 1.64 1.67 2zh0H1 LEU 136 HG -0.01 -0.12 -0.19 -0.04 1.64 1.27 2zh0H1 LEU 136 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.85 2zh0H1 LEU 136 HD23 -0.00 0.03 -0.07 -0.04 0.89 0.80 2zh0H1 GLU 137 H -0.01 0.39 -0.03 -0.55 8.60 8.39 2zh0H1 GLU 137 HA -0.12 0.05 0.68 -0.75 4.29 4.14 2zh0H1 GLU 137 HB2 -0.12 0.06 -0.22 -0.04 2.09 1.77 2zh0H1 GLU 137 HB3 -0.08 0.16 -0.35 -0.04 1.99 1.67 2zh0H1 GLU 137 HG2 -0.04 -0.08 -0.22 -0.04 2.34 1.96 2zh0H1 GLU 137 HG3 -0.05 -0.07 -0.24 -0.04 2.34 1.93 2zh0H1 HIS 138 H -0.43 0.39 0.33 -0.55 8.41 8.15 2zh0H1 HIS 138 HA -0.01 0.17 0.58 -0.75 4.63 4.62 2zh0H1 HIS 138 HB2 0.01 -0.07 0.26 -0.04 3.26 3.42 2zh0H1 HIS 138 HB3 0.00 -0.02 0.19 -0.04 3.20 3.33 2zh0H1 HIS 138 HD2 0.00 -0.06 0.04 -0.04 6.97 6.91 2zh0H1 HIS 138 HE1 0.01 0.03 0.04 -0.04 7.75 7.79 2zh0H1 GLU 139 H 0.15 0.05 0.19 -0.55 8.60 8.44 2zh0H1 GLU 139 HA -0.09 0.20 0.64 -0.75 4.29 4.30 2zh0H1 GLU 139 HB2 0.15 -0.07 0.14 -0.04 2.09 2.26 2zh0H1 GLU 139 HB3 0.12 0.03 0.09 -0.04 1.99 2.18 2zh0H1 GLU 139 HG2 -0.03 0.09 0.09 -0.04 2.34 2.46 2zh0H1 GLU 139 HG3 0.04 -0.06 0.07 -0.04 2.34 2.35 2zh0H1 THR 140 H -0.21 0.55 0.26 -0.55 8.28 8.33 2zh0H1 THR 140 HA 0.12 0.17 0.73 -0.75 4.39 4.65 2zh0H1 THR 140 HB -0.03 0.07 -0.18 -0.04 4.32 4.13 2zh0H1 THR 140 HG23 -0.13 -0.04 -0.48 -0.04 1.22 0.53 2zh0H1 PHE 141 H 0.20 0.33 0.10 -0.55 8.34 8.42 2zh0H1 PHE 141 HA 0.13 0.40 1.02 -0.75 4.62 5.41 2zh0H1 PHE 141 HB2 0.09 -0.02 -0.03 -0.04 3.15 3.15 2zh0H1 PHE 141 HB3 0.07 -0.05 -0.03 -0.04 3.06 3.01 2zh0H1 PHE 141 HD2 0.12 -0.05 -0.03 -0.04 7.28 7.27 2zh0H1 PHE 141 HE2 0.02 -0.01 -0.03 -0.04 7.38 7.31 2zh0H1 PHE 141 HZ -0.30 0.01 -0.04 -0.04 7.32 6.95 2zh0H1 GLY 142 H 0.38 0.24 0.21 -0.55 8.43 8.72 2zh0H1 GLY 142 HA2 0.13 -0.05 0.52 -0.51 4.01 4.10 2zh0H1 GLY 142 HA3 0.10 0.27 0.52 -0.51 4.01 4.39 2zh0H1 VAL 143 H 0.08 0.24 0.23 -0.55 8.24 8.23 2zh0H1 VAL 143 HA 0.07 0.36 1.09 -0.75 4.13 4.89 2zh0H1 VAL 143 HB 0.03 -0.03 0.09 -0.04 2.12 2.18 2zh0H1 VAL 143 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 2zh0H1 VAL 143 HG23 0.07 -0.02 -0.15 -0.04 0.95 0.81 2zh0H1 GLY 144 H 0.04 0.69 0.31 -0.55 8.43 8.93 2zh0H1 GLY 144 HA2 0.05 0.11 0.90 -0.51 4.01 4.57 2zh0H1 GLY 144 HA3 0.04 0.33 0.44 -0.51 4.01 4.31 2zh0H1 ILE 145 H 0.08 0.22 0.19 -0.55 8.25 8.19 2zh0H1 ILE 145 HA 0.14 0.44 1.20 -0.75 4.18 5.20 2zh0H1 ILE 145 HB 0.11 -0.02 0.09 -0.04 1.89 2.02 2zh0H1 ILE 145 HG12 0.07 0.07 -0.05 -0.04 1.49 1.54 2zh0H1 ILE 145 HG13 0.05 -0.08 -0.48 -0.04 1.21 0.66 2zh0H1 ILE 145 HG23 0.25 0.00 -0.11 -0.04 0.93 1.03 2zh0H1 ILE 145 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.74 2zh0H1 ASN 146 H 0.24 0.64 0.40 -0.55 8.53 9.26 2zh0H1 ASN 146 HA 0.19 0.08 0.77 -0.75 4.76 5.05 2zh0H1 ASN 146 HB2 0.03 -0.07 -0.27 -0.04 2.88 2.52 2zh0H1 ASN 146 HB3 -0.04 0.08 -0.01 -0.04 2.79 2.78 2zh0H1 ASN 146 HD21 -0.31 -0.04 0.06 -0.04 7.03 6.70 2zh0H1 ASN 146 HD22 -0.14 0.07 0.13 -0.04 7.74 7.76 2zh0H1 HIS 147 H -0.34 0.11 0.19 -0.55 8.41 7.84 2zh0H1 HIS 147 HA -1.04 0.14 0.83 -0.75 4.63 3.81 2zh0H1 HIS 147 HB2 -0.84 0.08 0.09 -0.04 3.26 2.56 2zh0H1 HIS 147 HB3 -1.83 0.02 0.14 -0.04 3.20 1.48 2zh0H1 HIS 147 HD2 -0.22 -0.01 -0.12 -0.04 6.97 6.57 2zh0H1 HIS 147 HE1 -0.08 0.01 0.05 -0.04 7.75 7.69 2zh0H1 ILE 148 H -0.26 0.62 0.20 -0.55 8.25 8.27 2zh0H1 ILE 148 HA -0.13 0.18 0.70 -0.75 4.18 4.18 2zh0H1 ILE 148 HB -0.04 0.03 -0.29 -0.04 1.89 1.55 2zh0H1 ILE 148 HG12 -0.00 -0.01 0.01 -0.04 1.49 1.45 2zh0H1 ILE 148 HG13 -0.03 -0.07 0.05 -0.04 1.21 1.12 2zh0H1 ILE 148 HG23 0.03 0.01 -0.27 -0.04 0.93 0.66 2zh0H1 ILE 148 HD13 0.02 0.00 -0.05 -0.04 0.88 0.81