============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 9.291 -4.268 -6.726 -99.200 -91.000 TYR 8 0.840 2.111 -10.590 4.901 -99.200 -91.000 PHE 22 1.000 -2.738 -10.605 5.040 -99.200 -91.000 PHE 25 1.000 5.827 -13.246 -0.879 -99.200 -91.000 TYR 31 0.840 10.345 -11.017 -8.270 -99.200 -91.000 PHE 46 1.000 0.971 -9.151 8.594 -99.200 -91.000 HIS 47 0.900 -8.380 -9.197 12.080 -99.200 -91.000 PHE 77 1.000 5.805 -8.360 6.841 -99.200 -91.000 PHE 80 1.000 2.793 2.221 1.615 -99.200 -91.000 TYR 81 0.840 -3.798 4.750 6.103 -99.200 -91.000 HIS 86 0.900 -17.550 2.886 -4.888 -99.200 -91.000 TYR 92 0.840 -10.402 -1.400 -1.400 -99.200 -91.000 PHE 95 1.000 0.534 -4.793 7.755 -99.200 -91.000 TYR 115 0.840 -8.943 -6.825 -11.229 -99.200 -91.000 HIS 127 0.900 -9.471 -8.203 -8.159 -99.200 -91.000 PHE 135 1.000 4.474 -1.539 -9.228 -99.200 -91.000 HIS 136 0.900 9.030 -2.478 -13.062 -99.200 -91.000 TYR 142 0.840 4.733 7.760 -13.558 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fz0A11 MET 1 HA -0.16 -0.12 0.16 -0.75 4.52 3.64 2fz0A11 MET 1 HB2 -0.14 0.01 0.03 -0.04 2.15 2.01 2fz0A11 MET 1 HB3 -0.10 -0.00 -0.08 -0.04 2.03 1.81 2fz0A11 MET 1 HG2 -0.06 0.00 0.01 -0.04 2.63 2.54 2fz0A11 MET 1 HG3 -0.08 -0.05 0.04 -0.04 2.56 2.43 2fz0A11 MET 1 HE3 -0.07 -0.00 0.01 -0.04 2.10 1.99 2fz0A11 LYS 2 H -0.11 0.01 0.03 -0.55 8.42 7.81 2fz0A11 LYS 2 HA -0.10 -0.11 0.42 -0.75 4.32 3.76 2fz0A11 LYS 2 HB2 -0.05 -0.03 -0.41 -0.04 1.87 1.34 2fz0A11 LYS 2 HB3 -0.07 0.09 0.15 -0.04 1.79 1.91 2fz0A11 LYS 2 HG2 -0.01 -0.06 0.04 -0.04 1.46 1.39 2fz0A11 LYS 2 HG3 -0.03 0.00 -0.02 -0.04 1.46 1.37 2fz0A11 LYS 2 HD2 -0.23 0.17 -0.09 -0.04 1.69 1.50 2fz0A11 LYS 2 HD3 0.09 -0.10 -0.04 -0.04 1.68 1.58 2fz0A11 LYS 2 HE2 0.06 -0.04 -0.49 -0.04 2.99 2.47 2fz0A11 LYS 2 HE3 0.04 -0.03 -0.05 -0.04 2.99 2.91 2fz0A11 ARG 3 H -0.36 0.01 0.08 -0.55 8.46 7.64 2fz0A11 ARG 3 HA -0.05 0.20 0.59 -0.75 4.34 4.33 2fz0A11 ARG 3 HB2 -0.30 -0.03 0.10 -0.04 1.90 1.63 2fz0A11 ARG 3 HB3 -0.61 0.07 0.10 -0.04 1.80 1.32 2fz0A11 ARG 3 HG2 -0.09 0.01 0.03 -0.04 1.67 1.58 2fz0A11 ARG 3 HG3 -0.02 -0.07 0.09 -0.04 1.67 1.62 2fz0A11 ARG 3 HD2 0.00 0.02 0.00 -0.04 3.22 3.20 2fz0A11 ARG 3 HD3 -0.03 0.08 -0.11 -0.04 3.22 3.12 2fz0A11 PHE 4 H -0.09 0.18 0.16 -0.55 8.34 8.03 2fz0A11 PHE 4 HA -0.04 0.18 0.70 -0.75 4.62 4.71 2fz0A11 PHE 4 HB2 0.15 0.01 -0.07 -0.04 3.15 3.21 2fz0A11 PHE 4 HB3 0.02 -0.12 0.02 -0.04 3.06 2.94 2fz0A11 PHE 4 HD2 0.12 -0.08 -0.04 -0.04 7.28 7.25 2fz0A11 PHE 4 HE2 0.02 0.02 -0.02 -0.04 7.38 7.37 2fz0A11 PHE 4 HZ 0.06 0.07 0.07 -0.04 7.32 7.48 2fz0A11 ASN 5 H 0.39 0.17 0.03 -0.55 8.53 8.58 2fz0A11 ASN 5 HA -0.05 0.08 0.63 -0.75 4.76 4.67 2fz0A11 ASN 5 HB2 0.21 0.04 -0.31 -0.04 2.88 2.78 2fz0A11 ASN 5 HB3 -0.20 -0.05 0.00 -0.04 2.79 2.50 2fz0A11 ASN 5 HD21 -0.45 0.10 -0.04 -0.04 7.03 6.60 2fz0A11 ASN 5 HD22 -0.47 -0.01 -0.00 -0.04 7.74 7.21 2fz0A11 VAL 6 H -0.12 0.16 0.06 -0.55 8.24 7.78 2fz0A11 VAL 6 HA -0.09 -0.02 0.53 -0.75 4.13 3.79 2fz0A11 VAL 6 HB -0.14 0.04 0.03 -0.04 2.12 2.01 2fz0A11 VAL 6 HG13 -0.16 -0.00 -0.34 -0.04 0.97 0.42 2fz0A11 VAL 6 HG23 -0.17 -0.01 -0.10 -0.04 0.95 0.64 2fz0A11 SER 7 H -0.12 -0.01 0.26 -0.55 8.46 8.04 2fz0A11 SER 7 HA -0.10 0.19 0.71 -0.75 4.49 4.53 2fz0A11 SER 7 HB2 -0.84 0.13 0.18 -0.04 3.95 3.39 2fz0A11 SER 7 HB3 -0.54 -0.04 0.15 -0.04 3.93 3.46 2fz0A11 TYR 8 H -0.35 0.29 0.11 -0.55 8.29 7.79 2fz0A11 TYR 8 HA -0.84 0.53 0.76 -0.75 4.56 4.26 2fz0A11 TYR 8 HB2 -1.04 -0.18 0.10 -0.04 3.06 1.90 2fz0A11 TYR 8 HB3 -3.52 -0.03 -0.07 -0.04 2.98 -0.68 2fz0A11 TYR 8 HD2 -0.87 -0.07 0.01 -0.04 7.15 6.18 2fz0A11 TYR 8 HE2 -1.52 0.01 -0.11 -0.04 6.85 5.18 2fz0A11 VAL 9 H -0.30 0.29 -0.01 -0.55 8.24 7.67 2fz0A11 VAL 9 HA -0.01 0.20 1.03 -0.75 4.13 4.60 2fz0A11 VAL 9 HB -0.01 -0.12 0.09 -0.04 2.12 2.04 2fz0A11 VAL 9 HG13 0.03 0.04 -0.26 -0.04 0.97 0.74 2fz0A11 VAL 9 HG23 -0.11 -0.00 -0.29 -0.04 0.95 0.52 2fz0A11 GLU 10 H 0.20 0.49 0.25 -0.55 8.60 8.99 2fz0A11 GLU 10 HA 0.28 0.10 0.91 -0.75 4.29 4.83 2fz0A11 GLU 10 HB2 0.68 -0.12 0.01 -0.04 2.09 2.62 2fz0A11 GLU 10 HB3 0.30 -0.02 0.06 -0.04 1.99 2.29 2fz0A11 GLU 10 HG2 0.15 -0.01 -0.06 -0.04 2.34 2.39 2fz0A11 GLU 10 HG3 0.16 0.24 0.20 -0.04 2.34 2.90 2fz0A11 VAL 11 H 0.08 0.24 0.02 -0.55 8.24 8.02 2fz0A11 VAL 11 HA -0.06 0.06 0.73 -0.75 4.13 4.10 2fz0A11 VAL 11 HB -0.07 -0.21 0.17 -0.04 2.12 1.97 2fz0A11 VAL 11 HG13 -0.61 0.09 -0.05 -0.04 0.97 0.36 2fz0A11 VAL 11 HG23 0.09 0.01 -0.08 -0.04 0.95 0.93 2fz0A11 ILE 12 H -0.15 0.35 -0.18 -0.55 8.25 7.72 2fz0A11 ILE 12 HA -0.03 0.13 0.66 -0.75 4.18 4.19 2fz0A11 ILE 12 HB -0.02 -0.08 0.01 -0.04 1.89 1.75 2fz0A11 ILE 12 HG12 0.01 0.03 -0.18 -0.04 1.49 1.31 2fz0A11 ILE 12 HG13 0.01 0.04 -0.28 -0.04 1.21 0.95 2fz0A11 ILE 12 HG23 -0.03 -0.02 -0.34 -0.04 0.93 0.50 2fz0A11 ILE 12 HD13 0.07 -0.05 -0.35 -0.04 0.88 0.52 2fz0A11 LYS 13 H -0.04 0.90 0.09 -0.55 8.42 8.81 2fz0A11 LYS 13 HA -0.05 0.17 1.00 -0.75 4.32 4.69 2fz0A11 LYS 13 HB2 -0.05 -0.06 0.05 -0.04 1.87 1.77 2fz0A11 LYS 13 HB3 -0.02 0.11 0.18 -0.04 1.79 2.02 2fz0A11 LYS 13 HG2 -0.01 -0.02 -0.04 -0.04 1.46 1.35 2fz0A11 LYS 13 HG3 -0.01 0.22 0.03 -0.04 1.46 1.66 2fz0A11 LYS 13 HD2 -0.01 -0.04 0.03 -0.04 1.69 1.63 2fz0A11 LYS 13 HD3 -0.00 -0.02 0.02 -0.04 1.68 1.64 2fz0A11 LYS 13 HE2 -0.00 0.01 -0.00 -0.04 2.99 2.95 2fz0A11 LYS 13 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 2fz0A11 ASN 14 H -0.02 0.22 -0.16 -0.55 8.53 8.02 2fz0A11 ASN 14 HA -0.01 -0.02 0.34 -0.75 4.76 4.32 2fz0A11 ASN 14 HB2 -0.01 0.02 -0.24 -0.04 2.88 2.61 2fz0A11 ASN 14 HB3 -0.01 0.10 0.24 -0.04 2.79 3.08 2fz0A11 ASN 14 HD21 -0.01 0.02 0.01 -0.04 7.03 7.01 2fz0A11 ASN 14 HD22 -0.00 -0.01 0.02 -0.04 7.74 7.70 2fz0A11 GLY 15 H -0.02 -0.01 -0.37 -0.55 8.43 7.48 2fz0A11 GLY 15 HA2 -0.03 -0.05 0.16 -0.51 4.01 3.58 2fz0A11 GLY 15 HA3 -0.03 0.18 0.47 -0.51 4.01 4.12 2fz0A11 GLU 16 H -0.02 -0.02 -0.64 -0.55 8.60 7.38 2fz0A11 GLU 16 HA -0.02 0.07 0.66 -0.75 4.29 4.26 2fz0A11 GLU 16 HB2 -0.01 0.24 -0.02 -0.04 2.09 2.26 2fz0A11 GLU 16 HB3 0.01 0.01 -0.04 -0.04 1.99 1.93 2fz0A11 GLU 16 HG2 -0.01 0.13 -0.56 -0.04 2.34 1.85 2fz0A11 GLU 16 HG3 -0.00 -0.03 -0.08 -0.04 2.34 2.18 2fz0A11 THR 17 H 0.03 0.15 0.06 -0.55 8.28 7.96 2fz0A11 THR 17 HA 0.02 0.15 0.59 -0.75 4.39 4.39 2fz0A11 THR 17 HB 0.11 -0.00 0.06 -0.04 4.32 4.44 2fz0A11 THR 17 HG23 0.05 -0.05 -0.10 -0.04 1.22 1.08 2fz0A11 ILE 18 H -0.02 0.64 0.37 -0.55 8.25 8.70 2fz0A11 ILE 18 HA -0.01 0.22 0.83 -0.75 4.18 4.47 2fz0A11 ILE 18 HB -0.02 -0.06 -0.08 -0.04 1.89 1.69 2fz0A11 ILE 18 HG12 -0.06 -0.04 -0.07 -0.04 1.49 1.27 2fz0A11 ILE 18 HG13 -0.09 -0.08 -0.23 -0.04 1.21 0.77 2fz0A11 ILE 18 HG23 -0.01 0.04 0.05 -0.04 0.93 0.97 2fz0A11 ILE 18 HD13 -0.12 0.05 -0.13 -0.04 0.88 0.64 2fz0A11 SER 19 H -0.01 0.19 0.23 -0.55 8.46 8.32 2fz0A11 SER 19 HA 0.01 0.07 0.30 -0.75 4.49 4.11 2fz0A11 SER 19 HB2 -0.01 -0.03 0.07 -0.04 3.95 3.94 2fz0A11 SER 19 HB3 -0.01 -0.05 -0.31 -0.04 3.93 3.51 2fz0A11 SER 20 H 0.05 0.16 0.08 -0.55 8.46 8.20 2fz0A11 SER 20 HA 0.30 0.22 0.60 -0.75 4.49 4.85 2fz0A11 SER 20 HB2 0.02 0.02 -0.02 -0.04 3.95 3.93 2fz0A11 SER 20 HB3 0.00 -0.00 0.04 -0.04 3.93 3.93 2fz0A11 CYS 21 H 0.24 0.43 -0.02 -0.55 8.50 8.60 2fz0A11 CYS 21 HA 0.10 0.23 0.85 -0.75 4.58 5.01 2fz0A11 CYS 21 HB2 -0.02 -0.09 0.02 -0.04 2.97 2.85 2fz0A11 CYS 21 HB3 -0.05 -0.12 0.22 -0.04 2.97 2.98 2fz0A11 PHE 22 H 0.43 0.32 -0.27 -0.55 8.34 8.27 2fz0A11 PHE 22 HA 0.16 0.34 1.03 -0.75 4.62 5.38 2fz0A11 PHE 22 HB2 0.05 0.02 0.16 -0.04 3.15 3.34 2fz0A11 PHE 22 HB3 0.15 0.10 0.07 -0.04 3.06 3.33 2fz0A11 PHE 22 HD2 -0.30 -0.00 -0.28 -0.04 7.28 6.66 2fz0A11 PHE 22 HE2 -0.44 -0.02 -0.21 -0.04 7.38 6.67 2fz0A11 PHE 22 HZ 0.03 0.04 -0.13 -0.04 7.32 7.21 2fz0A11 GLN 23 H 0.04 0.36 0.03 -0.55 8.47 8.36 2fz0A11 GLN 23 HA 0.13 0.20 0.91 -0.75 4.36 4.84 2fz0A11 GLN 23 HB2 0.06 -0.04 0.02 -0.04 2.15 2.15 2fz0A11 GLN 23 HB3 0.14 0.12 -0.06 -0.04 2.02 2.18 2fz0A11 GLN 23 HG2 0.05 0.03 -0.00 -0.04 2.40 2.43 2fz0A11 GLN 23 HG3 0.07 0.06 -0.01 -0.04 2.39 2.47 2fz0A11 GLN 23 HE21 -0.01 -0.11 -0.10 -0.04 6.97 6.71 2fz0A11 GLN 23 HE22 0.01 0.06 -0.05 -0.04 7.69 7.66 2fz0A11 PRO 24 HA -0.06 0.05 0.54 -0.51 4.44 4.46 2fz0A11 PRO 24 HB2 0.05 0.01 -0.00 -0.04 2.28 2.29 2fz0A11 PRO 24 HB3 0.05 0.06 0.08 -0.04 2.02 2.18 2fz0A11 PRO 24 HG2 0.08 0.02 0.10 -0.04 2.03 2.20 2fz0A11 PRO 24 HG3 0.07 0.05 0.10 -0.04 2.03 2.20 2fz0A11 PRO 24 HD2 0.11 0.07 0.24 -0.04 3.68 4.06 2fz0A11 PRO 24 HD3 0.10 0.19 0.26 -0.04 3.65 4.16 2fz0A11 PHE 25 H -0.29 0.12 0.03 -0.55 8.34 7.65 2fz0A11 PHE 25 HA -0.00 0.05 0.38 -0.75 4.62 4.29 2fz0A11 PHE 25 HB2 -0.02 -0.01 -0.07 -0.04 3.15 3.01 2fz0A11 PHE 25 HB3 -0.01 0.28 0.05 -0.04 3.06 3.34 2fz0A11 PHE 25 HD2 -0.04 -0.04 -0.45 -0.04 7.28 6.70 2fz0A11 PHE 25 HE2 -0.13 0.03 0.12 -0.04 7.38 7.35 2fz0A11 PHE 25 HZ -0.22 -0.08 -0.16 -0.04 7.32 6.82 2fz0A11 GLN 26 H 0.06 0.19 0.04 -0.55 8.47 8.21 2fz0A11 GLN 26 HA -0.04 0.26 0.33 -0.75 4.36 4.15 2fz0A11 GLN 26 HB2 0.01 -0.01 0.26 -0.04 2.15 2.37 2fz0A11 GLN 26 HB3 0.00 -0.02 0.17 -0.04 2.02 2.13 2fz0A11 GLN 26 HG2 0.03 -0.04 0.12 -0.04 2.40 2.46 2fz0A11 GLN 26 HG3 0.02 0.14 0.14 -0.04 2.39 2.65 2fz0A11 GLN 26 HE21 0.01 0.00 0.03 -0.04 6.97 6.97 2fz0A11 GLN 26 HE22 0.01 -0.00 0.01 -0.04 7.69 7.67 2fz0A11 LYS 27 H 0.14 0.46 -0.28 -0.55 8.42 8.18 2fz0A11 LYS 27 HA 0.16 -0.02 0.29 -0.75 4.32 4.00 2fz0A11 LYS 27 HB2 0.05 -0.02 -0.32 -0.04 1.87 1.53 2fz0A11 LYS 27 HB3 0.01 0.26 -0.19 -0.04 1.79 1.83 2fz0A11 LYS 27 HG2 -0.07 -0.24 -0.22 -0.04 1.46 0.90 2fz0A11 LYS 27 HG3 0.00 -0.07 -0.45 -0.04 1.46 0.90 2fz0A11 LYS 27 HD2 0.04 0.09 -0.37 -0.04 1.69 1.41 2fz0A11 LYS 27 HD3 0.00 0.04 -0.18 -0.04 1.68 1.49 2fz0A11 LYS 27 HE2 -0.01 -0.29 -0.41 -0.04 2.99 2.23 2fz0A11 LYS 27 HE3 0.05 0.16 -0.18 -0.04 2.99 2.98 2fz0A11 ASN 28 H -0.23 0.15 -0.19 -0.55 8.53 7.71 2fz0A11 ASN 28 HA -0.15 0.29 0.80 -0.75 4.76 4.94 2fz0A11 ASN 28 HB2 -1.48 -0.01 0.10 -0.04 2.88 1.45 2fz0A11 ASN 28 HB3 -0.54 0.04 0.15 -0.04 2.79 2.39 2fz0A11 ASN 28 HD21 -0.03 0.00 -0.09 -0.04 7.03 6.87 2fz0A11 ASN 28 HD22 -0.09 0.03 -0.03 -0.04 7.74 7.61 2fz0A11 GLU 29 H -0.09 0.24 -0.39 -0.55 8.60 7.82 2fz0A11 GLU 29 HA -0.04 0.04 0.21 -0.75 4.29 3.74 2fz0A11 GLU 29 HB2 -0.03 0.01 0.15 -0.04 2.09 2.18 2fz0A11 GLU 29 HB3 -0.04 0.01 -0.06 -0.04 1.99 1.86 2fz0A11 GLU 29 HG2 -0.07 -0.07 -0.50 -0.04 2.34 1.67 2fz0A11 GLU 29 HG3 -0.06 0.15 0.02 -0.04 2.34 2.41 2fz0A11 ASN 30 H -0.14 -0.16 -0.62 -0.55 8.53 7.06 2fz0A11 ASN 30 HA -0.00 0.09 0.38 -0.75 4.76 4.47 2fz0A11 ASN 30 HB2 -0.05 0.18 -0.33 -0.04 2.88 2.63 2fz0A11 ASN 30 HB3 0.19 -0.02 -0.07 -0.04 2.79 2.85 2fz0A11 ASN 30 HD21 0.09 -0.07 0.01 -0.04 7.03 7.03 2fz0A11 ASN 30 HD22 0.03 -0.02 0.04 -0.04 7.74 7.75 2fz0A11 TYR 31 H -0.54 0.17 -0.08 -0.55 8.29 7.28 2fz0A11 TYR 31 HA -0.02 0.26 0.97 -0.75 4.56 5.02 2fz0A11 TYR 31 HB2 -0.07 -0.14 0.05 -0.04 3.06 2.85 2fz0A11 TYR 31 HB3 -0.38 0.25 -0.01 -0.04 2.98 2.80 2fz0A11 TYR 31 HD2 -0.06 -0.03 -0.19 -0.04 7.15 6.84 2fz0A11 TYR 31 HE2 -0.05 0.04 -0.05 -0.04 6.85 6.74 2fz0A11 GLY 32 H 0.16 0.41 0.12 -0.55 8.43 8.57 2fz0A11 GLY 32 HA2 0.28 0.09 0.35 -0.51 4.01 4.22 2fz0A11 GLY 32 HA3 0.16 -0.02 0.60 -0.51 4.01 4.24 2fz0A11 THR 33 H 0.14 0.07 0.23 -0.55 8.28 8.18 2fz0A11 THR 33 HA 0.07 0.15 0.54 -0.75 4.39 4.39 2fz0A11 THR 33 HB 0.15 -0.06 0.07 -0.04 4.32 4.44 2fz0A11 THR 33 HG23 0.06 0.03 0.06 -0.04 1.22 1.33 2fz0A11 ILE 34 H 0.01 -0.02 0.24 -0.55 8.25 7.93 2fz0A11 ILE 34 HA 0.05 0.00 0.34 -0.75 4.18 3.82 2fz0A11 ILE 34 HB -0.64 0.28 0.16 -0.04 1.89 1.65 2fz0A11 ILE 34 HG12 0.25 0.03 0.09 -0.04 1.49 1.81 2fz0A11 ILE 34 HG13 -0.19 -0.14 0.19 -0.04 1.21 1.03 2fz0A11 ILE 34 HG23 -0.11 0.04 -0.15 -0.04 0.93 0.67 2fz0A11 ILE 34 HD13 -0.64 0.02 0.09 -0.04 0.88 0.31 2fz0A11 THR 35 H -0.01 0.02 -0.17 -0.55 8.28 7.58 2fz0A11 THR 35 HA -0.03 0.05 0.41 -0.75 4.39 4.07 2fz0A11 THR 35 HB 0.00 0.14 0.17 -0.04 4.32 4.59 2fz0A11 THR 35 HG23 0.01 0.04 -0.29 -0.04 1.22 0.94 2fz0A11 SER 36 H 0.01 0.05 0.13 -0.55 8.46 8.10 2fz0A11 SER 36 HA 0.02 0.30 0.88 -0.75 4.49 4.94 2fz0A11 SER 36 HB2 0.01 0.04 -0.10 -0.04 3.95 3.86 2fz0A11 SER 36 HB3 0.01 -0.01 0.07 -0.04 3.93 3.96 2fz0A11 ALA 37 H 0.01 0.15 0.18 -0.55 8.40 8.19 2fz0A11 ALA 37 HA 0.01 0.15 0.42 -0.75 4.34 4.17 2fz0A11 ALA 37 HB3 0.00 0.04 0.11 -0.04 1.41 1.52 2fz0A11 ASN 38 H 0.05 -0.08 -0.41 -0.55 8.53 7.54 2fz0A11 ASN 38 HA 0.11 0.26 0.88 -0.75 4.76 5.26 2fz0A11 ASN 38 HB2 0.11 -0.08 0.04 -0.04 2.88 2.91 2fz0A11 ASN 38 HB3 0.13 0.05 0.16 -0.04 2.79 3.09 2fz0A11 ASN 38 HD21 -0.30 0.12 0.07 -0.04 7.03 6.88 2fz0A11 ASN 38 HD22 -0.12 0.00 -0.13 -0.04 7.74 7.45 2fz0A11 GLU 39 H 0.08 0.51 -0.41 -0.55 8.60 8.24 2fz0A11 GLU 39 HA 0.16 0.23 0.74 -0.75 4.29 4.67 2fz0A11 GLU 39 HB2 0.01 -0.28 -0.36 -0.04 2.09 1.42 2fz0A11 GLU 39 HB3 0.03 0.14 -0.10 -0.04 1.99 2.02 2fz0A11 GLU 39 HG2 0.03 0.05 0.14 -0.04 2.34 2.52 2fz0A11 GLU 39 HG3 0.03 0.03 0.06 -0.04 2.34 2.41 2fz0A11 GLN 40 H 0.11 -0.03 -0.11 -0.55 8.47 7.88 2fz0A11 GLN 40 HA 0.05 0.25 0.85 -0.75 4.36 4.75 2fz0A11 GLN 40 HB2 0.02 0.01 0.03 -0.04 2.15 2.16 2fz0A11 GLN 40 HB3 0.03 0.07 -0.01 -0.04 2.02 2.07 2fz0A11 GLN 40 HG2 0.05 -0.08 0.06 -0.04 2.40 2.39 2fz0A11 GLN 40 HG3 0.01 -0.01 -0.12 -0.04 2.39 2.23 2fz0A11 GLN 40 HE21 0.02 0.20 0.09 -0.04 6.97 7.24 2fz0A11 GLN 40 HE22 0.00 -0.03 0.06 -0.04 7.69 7.68 2fz0A11 ILE 41 H 0.09 -0.07 -0.03 -0.55 8.25 7.69 2fz0A11 ILE 41 HA -0.07 -0.00 0.36 -0.75 4.18 3.72 2fz0A11 ILE 41 HB 0.14 0.02 0.01 -0.04 1.89 2.02 2fz0A11 ILE 41 HG12 -0.03 0.00 0.05 -0.04 1.49 1.47 2fz0A11 ILE 41 HG13 0.09 0.01 0.03 -0.04 1.21 1.31 2fz0A11 ILE 41 HG23 -0.87 0.02 -0.20 -0.04 0.93 -0.16 2fz0A11 ILE 41 HD13 -0.16 0.01 -0.00 -0.04 0.88 0.69 2fz0A11 THR 42 H -0.06 0.07 0.24 -0.55 8.28 7.99 2fz0A11 THR 42 HA 0.03 0.28 0.54 -0.75 4.39 4.49 2fz0A11 THR 42 HB -0.03 0.19 0.15 -0.04 4.32 4.58 2fz0A11 THR 42 HG23 -0.08 -0.08 0.11 -0.04 1.22 1.14 2fz0A11 PRO 43 HA -0.30 0.05 0.29 -0.51 4.44 3.97 2fz0A11 PRO 43 HB2 -0.65 0.06 -0.06 -0.04 2.28 1.59 2fz0A11 PRO 43 HB3 -2.11 0.00 0.08 -0.04 2.02 -0.05 2fz0A11 PRO 43 HG2 -0.25 0.05 0.07 -0.04 2.03 1.87 2fz0A11 PRO 43 HG3 -0.27 0.13 0.09 -0.04 2.03 1.95 2fz0A11 PRO 43 HD2 -0.06 0.13 0.25 -0.04 3.68 3.95 2fz0A11 PRO 43 HD3 0.02 0.26 0.18 -0.04 3.65 4.07 2fz0A11 VAL 44 H -0.14 0.08 -0.83 -0.55 8.24 6.80 2fz0A11 VAL 44 HA -0.24 0.10 0.38 -0.75 4.13 3.61 2fz0A11 VAL 44 HB -0.11 -0.03 0.04 -0.04 2.12 1.98 2fz0A11 VAL 44 HG13 -0.11 0.03 -0.11 -0.04 0.97 0.74 2fz0A11 VAL 44 HG23 -0.20 0.02 -0.01 -0.04 0.95 0.71 2fz0A11 ILE 45 H -0.12 0.41 -0.01 -0.55 8.25 7.98 2fz0A11 ILE 45 HA -0.10 0.11 0.36 -0.75 4.18 3.79 2fz0A11 ILE 45 HB -0.45 0.08 0.05 -0.04 1.89 1.53 2fz0A11 ILE 45 HG12 -0.15 0.06 0.04 -0.04 1.49 1.40 2fz0A11 ILE 45 HG13 -0.11 0.01 0.03 -0.04 1.21 1.10 2fz0A11 ILE 45 HG23 -0.39 0.01 -0.12 -0.04 0.93 0.38 2fz0A11 ILE 45 HD13 -0.11 0.03 0.12 -0.04 0.88 0.88 2fz0A11 PHE 46 H -0.06 0.26 -0.58 -0.55 8.34 7.41 2fz0A11 PHE 46 HA -0.20 0.07 0.51 -0.75 4.62 4.25 2fz0A11 PHE 46 HB2 0.06 0.16 0.05 -0.04 3.15 3.38 2fz0A11 PHE 46 HB3 -0.21 -0.06 -0.05 -0.04 3.06 2.69 2fz0A11 PHE 46 HD2 -1.83 -0.05 -0.25 -0.04 7.28 5.12 2fz0A11 PHE 46 HE2 -0.45 0.16 -0.26 -0.04 7.38 6.78 2fz0A11 PHE 46 HZ -0.61 0.05 -0.13 -0.04 7.32 6.58 2fz0A11 HIS 47 H 0.19 0.79 0.09 -0.55 8.41 8.94 2fz0A11 HIS 47 HA 0.12 -0.03 0.39 -0.75 4.63 4.35 2fz0A11 HIS 47 HB2 -0.03 -0.05 0.06 -0.04 3.26 3.20 2fz0A11 HIS 47 HB3 -0.07 0.13 0.15 -0.04 3.20 3.36 2fz0A11 HIS 47 HD2 -0.03 -0.04 -0.00 -0.04 6.97 6.85 2fz0A11 HIS 47 HE1 -0.02 0.03 -0.09 -0.04 7.75 7.63 2fz0A11 ASN 48 H 0.17 0.54 -0.43 -0.55 8.53 8.27 2fz0A11 ASN 48 HA -0.08 0.12 0.59 -0.75 4.76 4.63 2fz0A11 ASN 48 HB2 0.14 0.16 0.04 -0.04 2.88 3.18 2fz0A11 ASN 48 HB3 0.03 0.03 -0.07 -0.04 2.79 2.74 2fz0A11 ASN 48 HD21 0.02 0.02 -0.03 -0.04 7.03 7.00 2fz0A11 ASN 48 HD22 0.01 0.01 -0.06 -0.04 7.74 7.66 2fz0A11 LEU 49 H 0.07 0.18 -0.41 -0.55 8.37 7.67 2fz0A11 LEU 49 HA 0.06 0.11 0.38 -0.75 4.35 4.15 2fz0A11 LEU 49 HB2 0.19 0.02 0.37 -0.04 1.64 2.18 2fz0A11 LEU 49 HB3 0.38 -0.11 0.01 -0.04 1.64 1.88 2fz0A11 LEU 49 HG -0.05 0.22 0.04 -0.04 1.64 1.82 2fz0A11 LEU 49 HD13 0.18 -0.04 -0.22 -0.04 0.93 0.81 2fz0A11 LEU 49 HD23 0.06 0.02 -0.04 -0.04 0.89 0.90 2fz0A11 ILE 50 H 0.25 0.77 0.01 -0.55 8.25 8.73 2fz0A11 ILE 50 HA 0.09 -0.09 0.36 -0.75 4.18 3.78 2fz0A11 ILE 50 HB 0.10 0.04 0.07 -0.04 1.89 2.06 2fz0A11 ILE 50 HG12 0.31 -0.08 -0.05 -0.04 1.49 1.62 2fz0A11 ILE 50 HG13 0.54 0.05 0.10 -0.04 1.21 1.87 2fz0A11 ILE 50 HG23 0.06 -0.03 -0.11 -0.04 0.93 0.81 2fz0A11 ILE 50 HD13 0.40 -0.05 -0.25 -0.04 0.88 0.93 2fz0A11 MET 51 H -0.03 0.37 -0.31 -0.55 8.47 7.95 2fz0A11 MET 51 HA -0.07 -0.05 0.31 -0.75 4.52 3.96 2fz0A11 MET 51 HB2 -0.30 0.25 0.23 -0.04 2.15 2.30 2fz0A11 MET 51 HB3 -0.17 -0.02 0.13 -0.04 2.03 1.93 2fz0A11 MET 51 HG2 -0.13 -0.00 -0.06 -0.04 2.63 2.40 2fz0A11 MET 51 HG3 -0.11 -0.02 0.06 -0.04 2.56 2.45 2fz0A11 MET 51 HE3 -0.29 -0.09 -0.03 -0.04 2.10 1.64 2fz0A11 ASP 52 H -0.02 0.54 -0.39 -0.55 8.40 7.98 2fz0A11 ASP 52 HA -0.03 0.10 0.68 -0.75 4.63 4.62 2fz0A11 ASP 52 HB2 -0.00 0.09 0.09 -0.04 2.71 2.85 2fz0A11 ASP 52 HB3 -0.01 -0.07 0.08 -0.04 2.70 2.66 2fz0A11 MET 53 H 0.00 0.48 -0.11 -0.55 8.47 8.29 2fz0A11 MET 53 HA -0.02 0.22 0.92 -0.75 4.52 4.89 2fz0A11 MET 53 HB2 0.04 -0.06 0.07 -0.04 2.15 2.16 2fz0A11 MET 53 HB3 0.01 -0.06 -0.07 -0.04 2.03 1.86 2fz0A11 MET 53 HG2 0.02 0.00 -0.26 -0.04 2.63 2.35 2fz0A11 MET 53 HG3 0.04 -0.11 -0.05 -0.04 2.56 2.39 2fz0A11 MET 53 HE3 0.01 -0.02 -0.07 -0.04 2.10 1.98 2fz0A11 VAL 54 H -0.01 0.08 0.15 -0.55 8.24 7.92 2fz0A11 VAL 54 HA -0.19 0.07 0.29 -0.75 4.13 3.56 2fz0A11 VAL 54 HB -0.04 -0.07 0.16 -0.04 2.12 2.12 2fz0A11 VAL 54 HG13 -0.37 -0.00 -0.21 -0.04 0.97 0.35 2fz0A11 VAL 54 HG23 0.02 -0.03 -0.04 -0.04 0.95 0.86 2fz0A11 LEU 55 H -0.07 0.79 -0.01 -0.55 8.37 8.52 2fz0A11 LEU 55 HA -0.11 -0.12 0.29 -0.75 4.35 3.66 2fz0A11 LEU 55 HB2 -0.06 0.28 0.12 -0.04 1.64 1.95 2fz0A11 LEU 55 HB3 -0.05 0.03 -0.05 -0.04 1.64 1.53 2fz0A11 LEU 55 HG -0.05 0.02 -0.07 -0.04 1.64 1.50 2fz0A11 LEU 55 HD13 -0.04 -0.03 -0.04 -0.04 0.93 0.78 2fz0A11 LEU 55 HD23 -0.03 -0.04 -0.31 -0.04 0.89 0.47 2fz0A11 PRO 56 HA -0.05 0.01 0.34 -0.51 4.44 4.23 2fz0A11 PRO 56 HB2 -0.03 -0.00 0.04 -0.04 2.28 2.25 2fz0A11 PRO 56 HB3 -0.03 -0.04 0.06 -0.04 2.02 1.96 2fz0A11 PRO 56 HG2 -0.04 0.25 -0.27 -0.04 2.03 1.92 2fz0A11 PRO 56 HG3 -0.03 0.17 -0.29 -0.04 2.03 1.83 2fz0A11 PRO 56 HD2 -0.06 -0.12 -0.99 -0.04 3.68 2.47 2fz0A11 PRO 56 HD3 -0.05 0.38 -0.14 -0.04 3.65 3.79 2fz0A11 LYS 57 H -0.13 0.41 -1.06 -0.55 8.42 7.09 2fz0A11 LYS 57 HA -0.07 0.08 0.67 -0.75 4.32 4.25 2fz0A11 LYS 57 HB2 -0.07 0.12 -0.20 -0.04 1.87 1.69 2fz0A11 LYS 57 HB3 -0.11 -0.13 0.09 -0.04 1.79 1.59 2fz0A11 LYS 57 HG2 -0.02 -0.07 0.02 -0.04 1.46 1.35 2fz0A11 LYS 57 HG3 -0.03 -0.06 0.12 -0.04 1.46 1.45 2fz0A11 LYS 57 HD2 -0.03 0.30 0.06 -0.04 1.69 1.97 2fz0A11 LYS 57 HD3 -0.02 -0.09 0.02 -0.04 1.68 1.55 2fz0A11 LYS 57 HE2 -0.01 -0.09 0.04 -0.04 2.99 2.89 2fz0A11 LYS 57 HE3 -0.02 0.05 0.11 -0.04 2.99 3.08 2fz0A11 VAL 58 H -0.16 0.38 0.10 -0.55 8.24 8.02 2fz0A11 VAL 58 HA -0.67 0.02 0.62 -0.75 4.13 3.34 2fz0A11 VAL 58 HB -0.27 0.01 -0.09 -0.04 2.12 1.73 2fz0A11 VAL 58 HG13 -0.06 0.01 -0.10 -0.04 0.97 0.78 2fz0A11 VAL 58 HG23 -0.10 -0.05 -0.02 -0.04 0.95 0.74 2fz0A11 VAL 59 H 0.12 0.10 0.18 -0.55 8.24 8.09 2fz0A11 VAL 59 HA 0.04 0.32 0.85 -0.75 4.13 4.58 2fz0A11 VAL 59 HB 0.08 0.01 0.05 -0.04 2.12 2.21 2fz0A11 VAL 59 HG13 0.09 0.10 -0.20 -0.04 0.97 0.91 2fz0A11 VAL 59 HG23 0.22 -0.03 0.07 -0.04 0.95 1.16 2fz0A11 PRO 60 HA 0.08 0.06 0.43 -0.51 4.44 4.50 2fz0A11 PRO 60 HB2 0.05 0.11 0.13 -0.04 2.28 2.52 2fz0A11 PRO 60 HB3 0.05 -0.00 0.09 -0.04 2.02 2.12 2fz0A11 PRO 60 HG2 0.04 0.04 -0.10 -0.04 2.03 1.97 2fz0A11 PRO 60 HG3 0.03 0.07 0.02 -0.04 2.03 2.11 2fz0A11 PRO 60 HD2 0.05 0.09 0.12 -0.04 3.68 3.90 2fz0A11 PRO 60 HD3 0.03 0.21 0.13 -0.04 3.65 3.98 2fz0A11 ILE 61 H 0.10 0.12 -1.15 -0.55 8.25 6.78 2fz0A11 ILE 61 HA 0.06 -0.16 0.36 -0.75 4.18 3.68 2fz0A11 ILE 61 HB 0.06 0.33 -0.06 -0.04 1.89 2.18 2fz0A11 ILE 61 HG12 0.11 0.13 0.15 -0.04 1.49 1.85 2fz0A11 ILE 61 HG13 0.06 0.01 0.20 -0.04 1.21 1.45 2fz0A11 ILE 61 HG23 0.02 -0.07 -0.03 -0.04 0.93 0.81 2fz0A11 ILE 61 HD13 0.04 -0.03 0.21 -0.04 0.88 1.06 2fz0A11 LYS 62 H 0.04 -0.00 0.07 -0.55 8.42 7.97 2fz0A11 LYS 62 HA 0.03 0.31 0.77 -0.75 4.32 4.68 2fz0A11 LYS 62 HB2 0.03 -0.08 0.03 -0.04 1.87 1.80 2fz0A11 LYS 62 HB3 0.02 0.05 -0.07 -0.04 1.79 1.75 2fz0A11 LYS 62 HG2 0.03 0.09 -0.09 -0.04 1.46 1.45 2fz0A11 LYS 62 HG3 0.02 -0.02 -0.05 -0.04 1.46 1.37 2fz0A11 LYS 62 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.66 2fz0A11 LYS 62 HD3 0.02 0.05 0.04 -0.04 1.68 1.75 2fz0A11 LYS 62 HE2 0.02 -0.02 -0.03 -0.04 2.99 2.92 2fz0A11 LYS 62 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 2fz0A11 GLY 63 H 0.02 -0.19 0.03 -0.55 8.43 7.75 2fz0A11 GLY 63 HA2 0.01 0.17 0.31 -0.51 4.01 3.99 2fz0A11 GLY 63 HA3 0.01 0.09 0.36 -0.51 4.01 3.97 2fz0A11 ASN 64 H 0.01 -0.07 0.00 -0.55 8.53 7.93 2fz0A11 ASN 64 HA -0.00 0.31 0.90 -0.75 4.76 5.21 2fz0A11 ASN 64 HB2 0.01 -0.19 0.03 -0.04 2.88 2.69 2fz0A11 ASN 64 HB3 -0.02 -0.01 -0.07 -0.04 2.79 2.65 2fz0A11 ASN 64 HD21 0.00 0.03 -0.03 -0.04 7.03 6.99 2fz0A11 ASN 64 HD22 0.01 -0.01 -0.28 -0.04 7.74 7.41 2fz0A11 LYS 65 H 0.00 -0.09 0.10 -0.55 8.42 7.87 2fz0A11 LYS 65 HA -0.00 -0.08 0.43 -0.75 4.32 3.91 2fz0A11 LYS 65 HB2 -0.02 0.30 0.30 -0.04 1.87 2.41 2fz0A11 LYS 65 HB3 -0.03 -0.00 0.01 -0.04 1.79 1.73 2fz0A11 LYS 65 HG2 -0.00 -0.31 -0.47 -0.04 1.46 0.64 2fz0A11 LYS 65 HG3 -0.01 0.10 -0.24 -0.04 1.46 1.27 2fz0A11 LYS 65 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.57 2fz0A11 LYS 65 HD3 -0.00 0.07 -0.12 -0.04 1.68 1.59 2fz0A11 LYS 65 HE2 -0.03 0.01 -0.07 -0.04 2.99 2.86 2fz0A11 LYS 65 HE3 -0.05 -0.01 -0.07 -0.04 2.99 2.82 2fz0A11 VAL 66 H -0.01 0.00 0.23 -0.55 8.24 7.91 2fz0A11 VAL 66 HA -0.00 -0.02 -0.10 -0.75 4.13 3.26 2fz0A11 VAL 66 HB -0.06 0.24 0.31 -0.04 2.12 2.57 2fz0A11 VAL 66 HG13 -0.09 -0.07 -0.41 -0.04 0.97 0.36 2fz0A11 VAL 66 HG23 -0.06 0.01 -0.22 -0.04 0.95 0.64 2fz0A11 THR 67 H -0.31 0.42 0.26 -0.55 8.28 8.11 2fz0A11 THR 67 HA -0.10 0.19 0.70 -0.75 4.39 4.42 2fz0A11 THR 67 HB -0.62 -0.03 0.13 -0.04 4.32 3.76 2fz0A11 THR 67 HG23 -0.15 0.04 -0.08 -0.04 1.22 0.98 2fz0A11 LYS 68 H -0.28 0.21 0.18 -0.55 8.42 7.97 2fz0A11 LYS 68 HA -0.71 0.20 0.88 -0.75 4.32 3.92 2fz0A11 LYS 68 HB2 -1.25 0.06 0.13 -0.04 1.87 0.77 2fz0A11 LYS 68 HB3 -0.46 0.01 0.11 -0.04 1.79 1.41 2fz0A11 LYS 68 HG2 -0.62 0.01 0.12 -0.04 1.46 0.93 2fz0A11 LYS 68 HG3 -2.27 -0.02 -0.23 -0.04 1.46 -1.10 2fz0A11 LYS 68 HD2 -0.28 -0.03 0.03 -0.04 1.69 1.37 2fz0A11 LYS 68 HD3 -0.27 -0.08 0.01 -0.04 1.68 1.30 2fz0A11 LYS 68 HE2 0.07 0.03 -0.03 -0.04 2.99 3.02 2fz0A11 LYS 68 HE3 -0.34 0.03 0.02 -0.04 2.99 2.66 2fz0A11 MET 69 H -0.11 0.40 0.32 -0.55 8.47 8.54 2fz0A11 MET 69 HA 0.25 0.19 0.33 -0.75 4.52 4.53 2fz0A11 MET 69 HB2 0.01 -0.09 0.17 -0.04 2.15 2.20 2fz0A11 MET 69 HB3 0.02 -0.04 -0.02 -0.04 2.03 1.96 2fz0A11 MET 69 HG2 0.23 -0.02 0.01 -0.04 2.63 2.81 2fz0A11 MET 69 HG3 -0.00 -0.08 -0.07 -0.04 2.56 2.37 2fz0A11 MET 69 HE3 -0.03 0.00 -0.19 -0.04 2.10 1.84 2fz0A11 SER 70 H -0.15 -0.01 -0.45 -0.55 8.46 7.30 2fz0A11 SER 70 HA -0.08 -0.04 0.26 -0.75 4.49 3.87 2fz0A11 SER 70 HB2 -0.04 0.20 -0.35 -0.04 3.95 3.73 2fz0A11 SER 70 HB3 -0.03 0.01 0.22 -0.04 3.93 4.08 2fz0A11 MET 71 H -0.02 -0.17 -0.50 -0.55 8.47 7.22 2fz0A11 MET 71 HA -0.00 0.29 0.77 -0.75 4.52 4.82 2fz0A11 MET 71 HB2 0.00 0.18 -0.11 -0.04 2.15 2.18 2fz0A11 MET 71 HB3 0.01 -0.18 -0.12 -0.04 2.03 1.69 2fz0A11 MET 71 HG2 0.01 -0.01 -0.10 -0.04 2.63 2.49 2fz0A11 MET 71 HG3 0.01 0.02 -0.08 -0.04 2.56 2.46 2fz0A11 MET 71 HE3 0.00 0.02 0.09 -0.04 2.10 2.17 2fz0A11 ASN 72 H -0.01 -0.15 -0.04 -0.55 8.53 7.79 2fz0A11 ASN 72 HA 0.03 -0.04 0.30 -0.75 4.76 4.30 2fz0A11 ASN 72 HB2 0.00 -0.02 -0.23 -0.04 2.88 2.59 2fz0A11 ASN 72 HB3 0.01 0.31 0.16 -0.04 2.79 3.22 2fz0A11 ASN 72 HD21 0.03 -0.07 0.02 -0.04 7.03 6.96 2fz0A11 ASN 72 HD22 0.02 -0.06 -0.08 -0.04 7.74 7.58 2fz0A11 LEU 73 H 0.07 -0.09 0.01 -0.55 8.37 7.82 2fz0A11 LEU 73 HA 0.06 0.20 0.35 -0.75 4.35 4.21 2fz0A11 LEU 73 HB2 0.24 -0.16 0.09 -0.04 1.64 1.77 2fz0A11 LEU 73 HB3 0.18 0.04 -0.06 -0.04 1.64 1.76 2fz0A11 LEU 73 HG 0.06 0.15 -0.07 -0.04 1.64 1.74 2fz0A11 LEU 73 HD13 0.03 0.00 -0.14 -0.04 0.93 0.78 2fz0A11 LEU 73 HD23 0.12 -0.01 -0.13 -0.04 0.89 0.82 2fz0A11 ILE 74 H 0.25 -0.03 -0.03 -0.55 8.25 7.89 2fz0A11 ILE 74 HA 0.05 0.28 0.86 -0.75 4.18 4.61 2fz0A11 ILE 74 HB 0.44 -0.11 -0.09 -0.04 1.89 2.08 2fz0A11 ILE 74 HG12 -0.07 0.04 0.04 -0.04 1.49 1.46 2fz0A11 ILE 74 HG13 -0.05 0.07 -0.20 -0.04 1.21 0.99 2fz0A11 ILE 74 HG23 0.30 -0.01 -0.28 -0.04 0.93 0.89 2fz0A11 ILE 74 HD13 -0.56 -0.02 -0.14 -0.04 0.88 0.12 2fz0A11 ASP 75 H -0.05 0.18 0.12 -0.55 8.40 8.11 2fz0A11 ASP 75 HA -0.04 0.21 0.88 -0.75 4.63 4.92 2fz0A11 ASP 75 HB2 -0.04 0.08 -0.00 -0.04 2.71 2.70 2fz0A11 ASP 75 HB3 -0.08 -0.00 0.06 -0.04 2.70 2.63 2fz0A11 GLY 76 H -0.11 0.25 0.11 -0.55 8.43 8.13 2fz0A11 GLY 76 HA2 -0.17 0.04 0.37 -0.51 4.01 3.74 2fz0A11 GLY 76 HA3 -0.61 0.21 0.84 -0.51 4.01 3.94 2fz0A11 PHE 77 H -0.30 0.16 -0.49 -0.55 8.34 7.16 2fz0A11 PHE 77 HA 0.17 -0.08 0.88 -0.75 4.62 4.83 2fz0A11 PHE 77 HB2 0.51 -0.02 -0.25 -0.04 3.15 3.35 2fz0A11 PHE 77 HB3 0.27 0.02 -0.37 -0.04 3.06 2.93 2fz0A11 PHE 77 HD2 0.38 -0.03 -0.25 -0.04 7.28 7.34 2fz0A11 PHE 77 HE2 0.25 0.00 -0.06 -0.04 7.38 7.54 2fz0A11 PHE 77 HZ 0.31 0.05 -0.01 -0.04 7.32 7.63 2fz0A11 ASP 78 H 0.39 0.39 -0.02 -0.55 8.40 8.61 2fz0A11 ASP 78 HA 0.13 0.12 0.95 -0.75 4.63 5.09 2fz0A11 ASP 78 HB2 0.28 0.30 0.03 -0.04 2.71 3.28 2fz0A11 ASP 78 HB3 0.35 -0.05 -0.07 -0.04 2.70 2.89 2fz0A11 CYS 79 H -0.07 0.14 0.13 -0.55 8.50 8.15 2fz0A11 CYS 79 HA -0.68 0.11 0.60 -0.75 4.58 3.85 2fz0A11 CYS 79 HB2 -0.26 0.07 0.02 -0.04 2.97 2.76 2fz0A11 CYS 79 HB3 -0.35 -0.00 0.07 -0.04 2.97 2.64 2fz0A11 PHE 80 H -0.04 0.51 0.34 -0.55 8.34 8.59 2fz0A11 PHE 80 HA -0.15 0.18 0.80 -0.75 4.62 4.71 2fz0A11 PHE 80 HB2 -0.10 0.12 0.18 -0.04 3.15 3.31 2fz0A11 PHE 80 HB3 -0.12 0.02 -0.19 -0.04 3.06 2.73 2fz0A11 PHE 80 HD2 -0.12 0.15 -0.29 -0.04 7.28 6.98 2fz0A11 PHE 80 HE2 -0.07 0.08 -0.03 -0.04 7.38 7.32 2fz0A11 PHE 80 HZ -0.06 0.04 -0.01 -0.04 7.32 7.25 2fz0A11 TYR 81 H -0.32 0.76 0.15 -0.55 8.29 8.33 2fz0A11 TYR 81 HA 0.07 0.18 1.01 -0.75 4.56 5.08 2fz0A11 TYR 81 HB2 0.04 -0.05 -0.05 -0.04 3.06 2.97 2fz0A11 TYR 81 HB3 0.00 -0.05 -0.14 -0.04 2.98 2.76 2fz0A11 TYR 81 HD2 -0.02 -0.12 -0.10 -0.04 7.15 6.87 2fz0A11 TYR 81 HE2 -0.03 -0.08 -0.03 -0.04 6.85 6.67 2fz0A11 SER 82 H 0.23 0.40 0.07 -0.55 8.46 8.62 2fz0A11 SER 82 HA 0.11 -0.02 0.92 -0.75 4.49 4.74 2fz0A11 SER 82 HB2 0.03 -0.01 -0.11 -0.04 3.95 3.82 2fz0A11 SER 82 HB3 0.05 0.09 0.04 -0.04 3.93 4.07 2fz0A11 THR 83 H 0.15 0.10 0.16 -0.55 8.28 8.15 2fz0A11 THR 83 HA 0.27 -0.01 0.77 -0.75 4.39 4.66 2fz0A11 THR 83 HB 0.13 0.04 0.03 -0.04 4.32 4.48 2fz0A11 THR 83 HG23 0.13 -0.05 -0.05 -0.04 1.22 1.21 2fz0A11 ASP 84 H 0.32 0.36 0.16 -0.55 8.40 8.69 2fz0A11 ASP 84 HA 0.16 0.05 0.32 -0.75 4.63 4.41 2fz0A11 ASP 84 HB2 0.36 0.34 0.32 -0.04 2.71 3.69 2fz0A11 ASP 84 HB3 0.29 -0.34 0.10 -0.04 2.70 2.71 2fz0A11 ASP 85 H -0.03 0.18 0.14 -0.55 8.40 8.14 2fz0A11 ASP 85 HA 0.02 0.22 0.57 -0.75 4.63 4.70 2fz0A11 ASP 85 HB2 -0.09 -0.00 0.10 -0.04 2.71 2.67 2fz0A11 ASP 85 HB3 -0.15 0.02 0.02 -0.04 2.70 2.55 2fz0A11 HIS 86 H 0.31 -0.10 -0.41 -0.55 8.41 7.66 2fz0A11 HIS 86 HA 0.03 0.17 0.45 -0.75 4.63 4.53 2fz0A11 HIS 86 HB2 0.03 -0.01 0.16 -0.04 3.26 3.41 2fz0A11 HIS 86 HB3 0.03 0.14 -0.20 -0.04 3.20 3.12 2fz0A11 HIS 86 HD2 0.03 0.01 -0.03 -0.04 6.97 6.93 2fz0A11 HIS 86 HE1 0.09 0.02 -0.07 -0.04 7.75 7.74 2fz0A11 ASP 87 H 0.22 0.13 -0.24 -0.55 8.40 7.96 2fz0A11 ASP 87 HA 0.03 0.19 0.57 -0.75 4.63 4.66 2fz0A11 ASP 87 HB2 0.01 0.03 -0.35 -0.04 2.71 2.35 2fz0A11 ASP 87 HB3 0.10 -0.06 0.04 -0.04 2.70 2.74 2fz0A11 PRO 88 HA 0.07 0.09 0.38 -0.51 4.44 4.48 2fz0A11 PRO 88 HB2 0.03 0.04 -0.01 -0.04 2.28 2.30 2fz0A11 PRO 88 HB3 0.04 0.08 0.09 -0.04 2.02 2.19 2fz0A11 PRO 88 HG2 0.02 0.03 0.01 -0.04 2.03 2.05 2fz0A11 PRO 88 HG3 0.03 0.10 0.03 -0.04 2.03 2.14 2fz0A11 PRO 88 HD2 0.02 0.14 0.14 -0.04 3.68 3.95 2fz0A11 PRO 88 HD3 0.05 0.20 0.01 -0.04 3.65 3.87 2fz0A11 LYS 89 H 0.03 0.13 -0.51 -0.55 8.42 7.52 2fz0A11 LYS 89 HA 0.01 0.14 0.74 -0.75 4.32 4.45 2fz0A11 LYS 89 HB2 0.00 0.06 0.07 -0.04 1.87 1.96 2fz0A11 LYS 89 HB3 -0.00 -0.00 0.21 -0.04 1.79 1.95 2fz0A11 LYS 89 HG2 0.01 -0.05 -0.06 -0.04 1.46 1.32 2fz0A11 LYS 89 HG3 -0.00 0.06 0.01 -0.04 1.46 1.49 2fz0A11 LYS 89 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.64 2fz0A11 LYS 89 HD3 0.01 0.02 -0.21 -0.04 1.68 1.46 2fz0A11 LYS 89 HE2 -0.00 0.04 -0.05 -0.04 2.99 2.94 2fz0A11 LYS 89 HE3 0.00 0.00 -0.06 -0.04 2.99 2.90 2fz0A11 THR 90 H 0.05 0.26 -0.74 -0.55 8.28 7.30 2fz0A11 THR 90 HA -0.07 0.14 0.84 -0.75 4.39 4.54 2fz0A11 THR 90 HB 0.14 0.03 0.16 -0.04 4.32 4.62 2fz0A11 THR 90 HG23 -0.02 0.01 0.03 -0.04 1.22 1.19 2fz0A11 VAL 91 H -0.05 0.36 0.24 -0.55 8.24 8.24 2fz0A11 VAL 91 HA 0.17 0.04 0.62 -0.75 4.13 4.20 2fz0A11 VAL 91 HB 0.02 -0.12 0.03 -0.04 2.12 2.01 2fz0A11 VAL 91 HG13 0.13 0.03 -0.13 -0.04 0.97 0.95 2fz0A11 VAL 91 HG23 0.01 0.03 0.02 -0.04 0.95 0.97 2fz0A11 TYR 92 H 0.23 0.06 0.03 -0.55 8.29 8.07 2fz0A11 TYR 92 HA 0.07 -0.01 0.70 -0.75 4.56 4.57 2fz0A11 TYR 92 HB2 0.05 0.13 0.20 -0.04 3.06 3.40 2fz0A11 TYR 92 HB3 0.04 -0.09 0.02 -0.04 2.98 2.91 2fz0A11 TYR 92 HD2 0.05 -0.06 -0.14 -0.04 7.15 6.96 2fz0A11 TYR 92 HE2 0.07 -0.01 -0.03 -0.04 6.85 6.84 2fz0A11 VAL 93 H 0.13 0.35 0.23 -0.55 8.24 8.40 2fz0A11 VAL 93 HA 0.17 0.26 1.15 -0.75 4.13 4.96 2fz0A11 VAL 93 HB 0.17 0.03 0.13 -0.04 2.12 2.41 2fz0A11 VAL 93 HG13 0.10 0.04 -0.11 -0.04 0.97 0.96 2fz0A11 VAL 93 HG23 0.14 -0.04 -0.06 -0.04 0.95 0.94 2fz0A11 CYS 94 H 0.09 0.84 0.42 -0.55 8.50 9.31 2fz0A11 CYS 94 HA 0.11 -0.00 1.06 -0.75 4.58 4.99 2fz0A11 CYS 94 HB2 -0.03 0.05 0.02 -0.04 2.97 2.96 2fz0A11 CYS 94 HB3 0.04 -0.03 -0.19 -0.04 2.97 2.75 2fz0A11 PHE 95 H 0.20 0.45 0.28 -0.55 8.34 8.72 2fz0A11 PHE 95 HA 0.18 0.39 0.82 -0.75 4.62 5.25 2fz0A11 PHE 95 HB2 -0.19 -0.02 0.19 -0.04 3.15 3.09 2fz0A11 PHE 95 HB3 0.17 -0.04 -0.02 -0.04 3.06 3.13 2fz0A11 PHE 95 HD2 0.33 -0.01 -0.18 -0.04 7.28 7.37 2fz0A11 PHE 95 HE2 0.30 0.01 -0.10 -0.04 7.38 7.55 2fz0A11 PHE 95 HZ 0.23 0.02 -0.03 -0.04 7.32 7.50 2fz0A11 THR 96 H 0.17 0.57 0.34 -0.55 8.28 8.81 2fz0A11 THR 96 HA -0.01 -0.17 0.80 -0.75 4.39 4.26 2fz0A11 THR 96 HB -0.08 0.22 -0.02 -0.04 4.32 4.40 2fz0A11 THR 96 HG23 -0.20 -0.05 0.04 -0.04 1.22 0.97 2fz0A11 LEU 97 H 0.08 0.07 0.27 -0.55 8.37 8.25 2fz0A11 LEU 97 HA 0.31 0.06 0.51 -0.75 4.35 4.48 2fz0A11 LEU 97 HB2 0.16 0.03 0.16 -0.04 1.64 1.95 2fz0A11 LEU 97 HB3 0.19 0.02 0.04 -0.04 1.64 1.85 2fz0A11 LEU 97 HG 0.15 -0.03 0.20 -0.04 1.64 1.92 2fz0A11 LEU 97 HD13 0.31 0.04 0.04 -0.04 0.93 1.28 2fz0A11 LEU 97 HD23 0.25 -0.02 0.10 -0.04 0.89 1.18 2fz0A11 VAL 98 H 0.19 0.29 0.24 -0.55 8.24 8.41 2fz0A11 VAL 98 HA 0.13 0.12 0.28 -0.75 4.13 3.90 2fz0A11 VAL 98 HB 0.07 0.06 -0.08 -0.04 2.12 2.13 2fz0A11 VAL 98 HG13 0.09 -0.05 -0.22 -0.04 0.97 0.75 2fz0A11 VAL 98 HG23 0.06 -0.08 -0.04 -0.04 0.95 0.85 2fz0A11 ASP 99 H 0.12 -0.01 -0.29 -0.55 8.40 7.68 2fz0A11 ASP 99 HA 0.10 0.07 0.33 -0.75 4.63 4.37 2fz0A11 ASP 99 HB2 0.16 -0.09 0.00 -0.04 2.71 2.74 2fz0A11 ASP 99 HB3 0.16 0.05 0.07 -0.04 2.70 2.93 2fz0A11 ILE 100 H 0.09 0.30 -0.57 -0.55 8.25 7.52 2fz0A11 ILE 100 HA -0.02 0.08 0.58 -0.75 4.18 4.07 2fz0A11 ILE 100 HB -0.12 0.14 0.08 -0.04 1.89 1.95 2fz0A11 ILE 100 HG12 0.20 0.02 0.01 -0.04 1.49 1.67 2fz0A11 ILE 100 HG13 0.16 -0.11 0.00 -0.04 1.21 1.22 2fz0A11 ILE 100 HG23 -0.82 0.00 -0.01 -0.04 0.93 0.05 2fz0A11 ILE 100 HD13 0.02 -0.05 0.04 -0.04 0.88 0.85 2fz0A11 PRO 101 HA -0.02 0.15 0.36 -0.51 4.44 4.42 2fz0A11 PRO 101 HB2 -0.05 -0.03 0.01 -0.04 2.28 2.16 2fz0A11 PRO 101 HB3 0.01 0.11 0.13 -0.04 2.02 2.22 2fz0A11 PRO 101 HG2 -0.18 -0.16 0.03 -0.04 2.03 1.68 2fz0A11 PRO 101 HG3 0.04 0.14 0.07 -0.04 2.03 2.24 2fz0A11 PRO 101 HD2 -0.93 -0.02 0.24 -0.04 3.68 2.93 2fz0A11 PRO 101 HD3 0.12 0.27 0.24 -0.04 3.65 4.25 2fz0A11 LYS 102 H -0.04 0.20 0.08 -0.55 8.42 8.11 2fz0A11 LYS 102 HA -0.27 0.13 0.72 -0.75 4.32 4.15 2fz0A11 LYS 102 HB2 0.11 0.03 0.10 -0.04 1.87 2.07 2fz0A11 LYS 102 HB3 0.01 0.03 0.23 -0.04 1.79 2.02 2fz0A11 LYS 102 HG2 0.02 0.05 0.15 -0.04 1.46 1.64 2fz0A11 LYS 102 HG3 0.05 -0.03 0.05 -0.04 1.46 1.49 2fz0A11 LYS 102 HD2 0.34 -0.05 0.07 -0.04 1.69 2.01 2fz0A11 LYS 102 HD3 0.21 -0.01 0.06 -0.04 1.68 1.90 2fz0A11 LYS 102 HE2 0.05 0.00 0.06 -0.04 2.99 3.06 2fz0A11 LYS 102 HE3 0.04 0.03 0.08 -0.04 2.99 3.10 2fz0A11 ILE 103 H -0.27 0.15 -0.33 -0.55 8.25 7.25 2fz0A11 ILE 103 HA -0.12 0.23 0.64 -0.75 4.18 4.18 2fz0A11 ILE 103 HB -0.01 0.12 -0.21 -0.04 1.89 1.74 2fz0A11 ILE 103 HG12 0.18 0.04 -0.07 -0.04 1.49 1.60 2fz0A11 ILE 103 HG13 0.28 -0.07 -0.11 -0.04 1.21 1.27 2fz0A11 ILE 103 HG23 0.17 -0.03 -0.12 -0.04 0.93 0.91 2fz0A11 ILE 103 HD13 0.05 0.04 0.04 -0.04 0.88 0.96 2fz0A11 LEU 104 H -0.43 0.12 0.03 -0.55 8.37 7.55 2fz0A11 LEU 104 HA -1.99 0.16 0.41 -0.75 4.35 2.17 2fz0A11 LEU 104 HB2 -1.30 0.08 0.06 -0.04 1.64 0.44 2fz0A11 LEU 104 HB3 -0.68 0.08 0.13 -0.04 1.64 1.14 2fz0A11 LEU 104 HG -0.53 -0.07 -0.38 -0.04 1.64 0.62 2fz0A11 LEU 104 HD13 -0.72 0.02 -0.07 -0.04 0.93 0.12 2fz0A11 LEU 104 HD23 -0.31 -0.02 -0.15 -0.04 0.89 0.37 2fz0A11 PRO 105 HA -0.29 -0.00 0.29 -0.51 4.44 3.93 2fz0A11 PRO 105 HB2 -0.55 0.11 -0.11 -0.04 2.28 1.68 2fz0A11 PRO 105 HB3 -0.32 -0.01 0.07 -0.04 2.02 1.72 2fz0A11 PRO 105 HG2 -0.97 0.08 -0.06 -0.04 2.03 1.04 2fz0A11 PRO 105 HG3 -0.71 0.12 0.04 -0.04 2.03 1.44 2fz0A11 PRO 105 HD2 -0.52 -0.05 0.15 -0.04 3.68 3.22 2fz0A11 PRO 105 HD3 -0.44 0.11 0.11 -0.04 3.65 3.39 2fz0A11 ILE 106 H -0.38 0.07 -0.95 -0.55 8.25 6.45 2fz0A11 ILE 106 HA -0.15 0.05 0.40 -0.75 4.18 3.72 2fz0A11 ILE 106 HB -0.15 0.15 0.03 -0.04 1.89 1.87 2fz0A11 ILE 106 HG12 -0.09 0.21 0.04 -0.04 1.49 1.61 2fz0A11 ILE 106 HG13 -0.22 -0.11 -0.06 -0.04 1.21 0.77 2fz0A11 ILE 106 HG23 -0.05 0.02 -0.09 -0.04 0.93 0.78 2fz0A11 ILE 106 HD13 -0.26 -0.03 -0.30 -0.04 0.88 0.26 2fz0A11 ARG 107 H -0.26 0.46 -0.08 -0.55 8.46 8.03 2fz0A11 ARG 107 HA -0.04 0.11 0.50 -0.75 4.34 4.17 2fz0A11 ARG 107 HB2 -0.15 0.11 0.21 -0.04 1.90 2.03 2fz0A11 ARG 107 HB3 -0.04 -0.04 -0.07 -0.04 1.80 1.61 2fz0A11 ARG 107 HG2 0.11 0.01 -0.00 -0.04 1.67 1.74 2fz0A11 ARG 107 HG3 0.35 0.02 0.07 -0.04 1.67 2.06 2fz0A11 ARG 107 HD2 0.11 0.11 0.01 -0.04 3.22 3.40 2fz0A11 ARG 107 HD3 0.06 -0.06 -0.00 -0.04 3.22 3.18 2fz0A11 ILE 108 H -0.24 0.53 -0.18 -0.55 8.25 7.81 2fz0A11 ILE 108 HA -0.09 0.12 0.37 -0.75 4.18 3.83 2fz0A11 ILE 108 HB -0.16 0.01 0.02 -0.04 1.89 1.72 2fz0A11 ILE 108 HG12 -0.35 0.32 -0.27 -0.04 1.49 1.15 2fz0A11 ILE 108 HG13 -0.25 -0.13 -0.23 -0.04 1.21 0.56 2fz0A11 ILE 108 HG23 -0.09 -0.03 -0.16 -0.04 0.93 0.61 2fz0A11 ILE 108 HD13 -0.16 -0.01 -0.09 -0.04 0.88 0.57 2fz0A11 LEU 109 H -0.11 0.64 -0.11 -0.55 8.37 8.23 2fz0A11 LEU 109 HA -0.03 0.01 0.36 -0.75 4.35 3.94 2fz0A11 LEU 109 HB2 -0.07 0.24 0.15 -0.04 1.64 1.93 2fz0A11 LEU 109 HB3 -0.08 0.03 -0.08 -0.04 1.64 1.46 2fz0A11 LEU 109 HG 0.15 0.12 0.04 -0.04 1.64 1.92 2fz0A11 LEU 109 HD13 0.09 -0.06 -0.26 -0.04 0.93 0.65 2fz0A11 LEU 109 HD23 0.03 -0.04 -0.08 -0.04 0.89 0.76 2fz0A11 SER 110 H -0.10 0.42 -0.16 -0.55 8.46 8.08 2fz0A11 SER 110 HA -0.13 0.02 0.27 -0.75 4.49 3.90 2fz0A11 SER 110 HB2 -0.07 -0.01 0.09 -0.04 3.95 3.92 2fz0A11 SER 110 HB3 -0.05 0.12 0.08 -0.04 3.93 4.04 2fz0A11 GLY 111 H -0.05 -0.01 -1.22 -0.55 8.43 6.60 2fz0A11 GLY 111 HA2 0.04 0.06 0.45 -0.51 4.01 4.04 2fz0A11 GLY 111 HA3 0.04 0.22 0.28 -0.51 4.01 4.04 2fz0A11 LEU 112 H -0.01 0.68 -0.10 -0.55 8.37 8.40 2fz0A11 LEU 112 HA 0.15 -0.11 0.33 -0.75 4.35 3.98 2fz0A11 LEU 112 HB2 0.02 0.19 0.09 -0.04 1.64 1.89 2fz0A11 LEU 112 HB3 0.19 -0.10 0.02 -0.04 1.64 1.70 2fz0A11 LEU 112 HG 0.00 0.24 0.02 -0.04 1.64 1.86 2fz0A11 LEU 112 HD13 0.09 -0.05 -0.21 -0.04 0.93 0.72 2fz0A11 LEU 112 HD23 -0.09 -0.08 0.05 -0.04 0.89 0.72 2fz0A11 GLN 113 H -0.07 0.30 -0.84 -0.55 8.47 7.32 2fz0A11 GLN 113 HA -0.03 0.03 0.34 -0.75 4.36 3.94 2fz0A11 GLN 113 HB2 -0.14 0.24 0.02 -0.04 2.15 2.24 2fz0A11 GLN 113 HB3 -0.12 -0.02 -0.01 -0.04 2.02 1.83 2fz0A11 GLN 113 HG2 -0.22 -0.16 0.01 -0.04 2.40 1.99 2fz0A11 GLN 113 HG3 -0.52 -0.03 -0.11 -0.04 2.39 1.70 2fz0A11 GLN 113 HE21 -0.14 0.01 -0.04 -0.04 6.97 6.76 2fz0A11 GLN 113 HE22 -0.14 -0.04 -0.13 -0.04 7.69 7.33 2fz0A11 GLU 114 H 0.09 0.60 -0.41 -0.55 8.60 8.33 2fz0A11 GLU 114 HA -0.04 0.04 0.47 -0.75 4.29 4.00 2fz0A11 GLU 114 HB2 0.08 0.14 0.13 -0.04 2.09 2.40 2fz0A11 GLU 114 HB3 -0.13 -0.11 0.07 -0.04 1.99 1.78 2fz0A11 GLU 114 HG2 -0.04 -0.06 0.04 -0.04 2.34 2.24 2fz0A11 GLU 114 HG3 -0.01 0.13 0.10 -0.04 2.34 2.52 2fz0A11 TYR 115 H 0.29 0.23 -0.50 -0.55 8.29 7.76 2fz0A11 TYR 115 HA -0.14 0.15 0.66 -0.75 4.56 4.48 2fz0A11 TYR 115 HB2 -0.25 0.17 0.06 -0.04 3.06 3.00 2fz0A11 TYR 115 HB3 -0.37 -0.33 0.19 -0.04 2.98 2.42 2fz0A11 TYR 115 HD2 -0.38 0.06 -0.01 -0.04 7.15 6.78 2fz0A11 TYR 115 HE2 -0.10 0.04 -0.09 -0.04 6.85 6.65 2fz0A11 GLU 116 H 0.15 -0.03 0.13 -0.55 8.60 8.30 2fz0A11 GLU 116 HA 0.11 0.32 0.83 -0.75 4.29 4.80 2fz0A11 GLU 116 HB2 0.07 -0.06 -0.01 -0.04 2.09 2.05 2fz0A11 GLU 116 HB3 0.07 0.03 0.12 -0.04 1.99 2.17 2fz0A11 GLU 116 HG2 0.02 0.21 -0.50 -0.04 2.34 2.04 2fz0A11 GLU 116 HG3 0.01 -0.06 -0.09 -0.04 2.34 2.15 2fz0A11 SER 117 H 0.29 -0.06 -0.00 -0.55 8.46 8.14 2fz0A11 SER 117 HA 0.13 0.33 0.93 -0.75 4.49 5.12 2fz0A11 SER 117 HB2 0.12 -0.15 0.11 -0.04 3.95 4.00 2fz0A11 SER 117 HB3 0.13 0.14 0.02 -0.04 3.93 4.18 2fz0A11 ASN 118 H 0.16 0.12 0.07 -0.55 8.53 8.34 2fz0A11 ASN 118 HA -0.26 -0.17 0.27 -0.75 4.76 3.84 2fz0A11 ASN 118 HB2 0.05 -0.06 0.21 -0.04 2.88 3.04 2fz0A11 ASN 118 HB3 -0.03 0.01 0.08 -0.04 2.79 2.81 2fz0A11 ASN 118 HD21 0.18 -0.18 -0.05 -0.04 7.03 6.94 2fz0A11 ASN 118 HD22 0.32 0.07 -0.23 -0.04 7.74 7.85 2fz0A11 ALA 119 H 0.03 -0.02 -0.69 -0.55 8.40 7.16 2fz0A11 ALA 119 HA 0.00 0.18 0.75 -0.75 4.34 4.52 2fz0A11 ALA 119 HB3 0.03 0.08 0.04 -0.04 1.41 1.52 2fz0A11 THR 120 H -0.02 -0.05 -0.15 -0.55 8.28 7.50 2fz0A11 THR 120 HA -0.00 0.50 0.79 -0.75 4.39 4.92 2fz0A11 THR 120 HB -0.00 0.19 0.10 -0.04 4.32 4.57 2fz0A11 THR 120 HG23 0.00 0.03 -0.29 -0.04 1.22 0.92 2fz0A11 ASN 121 H -0.01 0.39 0.18 -0.55 8.53 8.55 2fz0A11 ASN 121 HA 0.02 -0.22 0.60 -0.75 4.76 4.41 2fz0A11 ASN 121 HB2 -0.02 0.09 0.08 -0.04 2.88 2.98 2fz0A11 ASN 121 HB3 -0.01 0.07 0.14 -0.04 2.79 2.94 2fz0A11 ASN 121 HD21 -0.08 0.05 -0.00 -0.04 7.03 6.96 2fz0A11 ASN 121 HD22 -0.13 -0.04 0.01 -0.04 7.74 7.54 2fz0A11 GLU 122 H -0.01 0.03 -1.12 -0.55 8.60 6.95 2fz0A11 GLU 122 HA 0.00 0.12 0.41 -0.75 4.29 4.07 2fz0A11 GLU 122 HB2 0.00 0.03 0.18 -0.04 2.09 2.27 2fz0A11 GLU 122 HB3 0.01 0.22 -0.09 -0.04 1.99 2.09 2fz0A11 GLU 122 HG2 0.00 0.00 -0.22 -0.04 2.34 2.08 2fz0A11 GLU 122 HG3 -0.00 -0.07 -0.28 -0.04 2.34 1.95 2fz0A11 LEU 123 H -0.05 0.19 0.21 -0.55 8.37 8.17 2fz0A11 LEU 123 HA -0.06 0.34 0.94 -0.75 4.35 4.82 2fz0A11 LEU 123 HB2 -0.02 0.12 -0.13 -0.04 1.64 1.57 2fz0A11 LEU 123 HB3 -0.06 -0.18 0.13 -0.04 1.64 1.50 2fz0A11 LEU 123 HG 0.01 0.13 0.09 -0.04 1.64 1.83 2fz0A11 LEU 123 HD13 0.04 0.02 -0.04 -0.04 0.93 0.91 2fz0A11 LEU 123 HD23 -0.09 -0.02 -0.06 -0.04 0.89 0.67 2fz0A11 LEU 124 H -0.12 0.24 0.27 -0.55 8.37 8.21 2fz0A11 LEU 124 HA -0.58 0.09 0.52 -0.75 4.35 3.62 2fz0A11 LEU 124 HB2 -0.07 0.22 0.16 -0.04 1.64 1.91 2fz0A11 LEU 124 HB3 -0.07 -0.03 0.16 -0.04 1.64 1.66 2fz0A11 LEU 124 HG -0.06 0.01 -0.53 -0.04 1.64 1.02 2fz0A11 LEU 124 HD13 0.06 0.01 -0.18 -0.04 0.93 0.78 2fz0A11 LEU 124 HD23 0.04 0.03 -0.15 -0.04 0.89 0.77 2fz0A11 SER 125 H -0.09 0.07 -0.24 -0.55 8.46 7.66 2fz0A11 SER 125 HA -0.07 0.05 0.27 -0.75 4.49 3.98 2fz0A11 SER 125 HB2 -0.01 -0.04 0.05 -0.04 3.95 3.91 2fz0A11 SER 125 HB3 -0.03 0.01 -0.14 -0.04 3.93 3.72 2fz0A11 SER 126 H -0.16 0.21 -0.89 -0.55 8.46 7.06 2fz0A11 SER 126 HA -0.03 0.06 0.37 -0.75 4.49 4.13 2fz0A11 SER 126 HB2 -0.07 0.05 0.17 -0.04 3.95 4.06 2fz0A11 SER 126 HB3 0.01 -0.05 0.13 -0.04 3.93 3.98 2fz0A11 HIS 127 H -0.43 0.29 0.06 -0.55 8.41 7.78 2fz0A11 HIS 127 HA -0.46 0.05 0.34 -0.75 4.63 3.80 2fz0A11 HIS 127 HB2 -0.39 0.06 0.05 -0.04 3.26 2.94 2fz0A11 HIS 127 HB3 -1.12 0.09 -0.04 -0.04 3.20 2.08 2fz0A11 HIS 127 HD2 -0.44 -0.04 0.01 -0.04 6.97 6.45 2fz0A11 HIS 127 HE1 0.04 -0.21 0.04 -0.04 7.75 7.58 2fz0A11 VAL 128 H -0.11 0.37 -0.43 -0.55 8.24 7.52 2fz0A11 VAL 128 HA -0.06 0.03 0.28 -0.75 4.13 3.63 2fz0A11 VAL 128 HB -0.08 0.28 0.12 -0.04 2.12 2.39 2fz0A11 VAL 128 HG13 -0.10 -0.03 -0.08 -0.04 0.97 0.72 2fz0A11 VAL 128 HG23 -0.08 0.02 -0.13 -0.04 0.95 0.72 2fz0A11 GLY 129 H -0.04 0.51 -0.16 -0.55 8.43 8.18 2fz0A11 GLY 129 HA2 -0.02 0.03 0.53 -0.51 4.01 4.04 2fz0A11 GLY 129 HA3 -0.02 0.09 0.35 -0.51 4.01 3.93 2fz0A11 GLN 130 H 0.03 0.64 0.07 -0.55 8.47 8.66 2fz0A11 GLN 130 HA 0.06 0.03 0.41 -0.75 4.36 4.11 2fz0A11 GLN 130 HB2 0.13 0.03 0.07 -0.04 2.15 2.34 2fz0A11 GLN 130 HB3 0.20 0.02 -0.00 -0.04 2.02 2.20 2fz0A11 GLN 130 HG2 0.13 -0.01 -0.01 -0.04 2.40 2.47 2fz0A11 GLN 130 HG3 0.08 0.00 0.04 -0.04 2.39 2.47 2fz0A11 GLN 130 HE21 0.05 -0.03 0.01 -0.04 6.97 6.96 2fz0A11 GLN 130 HE22 0.10 -0.03 -0.04 -0.04 7.69 7.67 2fz0A11 ILE 131 H 0.05 0.41 -0.61 -0.55 8.25 7.55 2fz0A11 ILE 131 HA 0.11 0.11 0.60 -0.75 4.18 4.25 2fz0A11 ILE 131 HB 0.02 0.04 0.00 -0.04 1.89 1.92 2fz0A11 ILE 131 HG12 0.24 0.02 -0.10 -0.04 1.49 1.61 2fz0A11 ILE 131 HG13 0.19 -0.06 -0.10 -0.04 1.21 1.20 2fz0A11 ILE 131 HG23 0.05 -0.05 -0.16 -0.04 0.93 0.73 2fz0A11 ILE 131 HD13 0.08 -0.05 -0.49 -0.04 0.88 0.38 2fz0A11 LEU 132 H 0.04 0.29 -0.23 -0.55 8.37 7.92 2fz0A11 LEU 132 HA 0.13 -0.03 0.40 -0.75 4.35 4.09 2fz0A11 LEU 132 HB2 0.02 0.19 0.38 -0.04 1.64 2.19 2fz0A11 LEU 132 HB3 0.07 -0.06 0.01 -0.04 1.64 1.62 2fz0A11 LEU 132 HG -0.06 0.04 0.04 -0.04 1.64 1.61 2fz0A11 LEU 132 HD13 -0.06 -0.09 -0.19 -0.04 0.93 0.56 2fz0A11 LEU 132 HD23 0.04 0.00 -0.18 -0.04 0.89 0.71 2fz0A11 ASP 133 H 0.06 0.49 -0.17 -0.55 8.40 8.23 2fz0A11 ASP 133 HA 0.05 0.03 0.41 -0.75 4.63 4.36 2fz0A11 ASP 133 HB2 0.04 0.08 0.11 -0.04 2.71 2.89 2fz0A11 ASP 133 HB3 0.03 0.08 -0.07 -0.04 2.70 2.70 2fz0A11 SER 134 H 0.09 0.23 -0.68 -0.55 8.46 7.55 2fz0A11 SER 134 HA 0.04 0.10 0.76 -0.75 4.49 4.64 2fz0A11 SER 134 HB2 0.05 0.05 0.04 -0.04 3.95 4.06 2fz0A11 SER 134 HB3 0.06 0.07 0.07 -0.04 3.93 4.09 2fz0A11 PHE 135 H 0.19 0.39 -0.49 -0.55 8.34 7.87 2fz0A11 PHE 135 HA 0.01 0.16 0.69 -0.75 4.62 4.72 2fz0A11 PHE 135 HB2 -0.02 0.01 -0.00 -0.04 3.15 3.10 2fz0A11 PHE 135 HB3 0.01 0.22 0.27 -0.04 3.06 3.51 2fz0A11 PHE 135 HD2 -0.01 0.05 -0.01 -0.04 7.28 7.27 2fz0A11 PHE 135 HE2 -0.12 0.01 -0.21 -0.04 7.38 7.02 2fz0A11 PHE 135 HZ -0.30 -0.04 -0.09 -0.04 7.32 6.85 2fz0A11 HIS 136 H -0.01 0.30 0.03 -0.55 8.41 8.18 2fz0A11 HIS 136 HA -0.60 0.09 0.53 -0.75 4.63 3.90 2fz0A11 HIS 136 HB2 -0.19 -0.01 0.11 -0.04 3.26 3.14 2fz0A11 HIS 136 HB3 -0.14 0.06 -0.05 -0.04 3.20 3.04 2fz0A11 HIS 136 HD2 -0.16 -0.22 0.08 -0.04 6.97 6.63 2fz0A11 HIS 136 HE1 -0.09 0.03 0.20 -0.04 7.75 7.85 2fz0A11 GLU 137 H 0.01 0.16 -0.30 -0.55 8.60 7.93 2fz0A11 GLU 137 HA -0.02 0.09 0.33 -0.75 4.29 3.93 2fz0A11 GLU 137 HB2 0.01 0.00 0.05 -0.04 2.09 2.10 2fz0A11 GLU 137 HB3 -0.01 0.04 -0.08 -0.04 1.99 1.90 2fz0A11 GLU 137 HG2 -0.03 -0.02 0.06 -0.04 2.34 2.32 2fz0A11 GLU 137 HG3 -0.02 0.06 0.06 -0.04 2.34 2.40 2fz0A11 GLU 138 H -0.01 0.20 -0.79 -0.55 8.60 7.46 2fz0A11 GLU 138 HA -0.04 0.10 0.53 -0.75 4.29 4.12 2fz0A11 GLU 138 HB2 0.05 0.19 0.08 -0.04 2.09 2.37 2fz0A11 GLU 138 HB3 0.05 -0.01 -0.06 -0.04 1.99 1.94 2fz0A11 GLU 138 HG2 -0.02 -0.04 -0.06 -0.04 2.34 2.18 2fz0A11 GLU 138 HG3 0.03 0.08 0.03 -0.04 2.34 2.44 2fz0A11 LEU 139 H -0.03 0.22 -0.15 -0.55 8.37 7.87 2fz0A11 LEU 139 HA 0.31 0.07 0.46 -0.75 4.35 4.43 2fz0A11 LEU 139 HB2 0.06 0.11 0.07 -0.04 1.64 1.84 2fz0A11 LEU 139 HB3 -0.04 -0.03 0.09 -0.04 1.64 1.62 2fz0A11 LEU 139 HG -0.44 0.16 0.26 -0.04 1.64 1.58 2fz0A11 LEU 139 HD13 -0.87 -0.04 -0.04 -0.04 0.93 -0.05 2fz0A11 LEU 139 HD23 0.02 -0.04 -0.07 -0.04 0.89 0.77 2fz0A11 VAL 140 H 0.06 0.50 -0.26 -0.55 8.24 7.99 2fz0A11 VAL 140 HA 0.04 0.09 0.50 -0.75 4.13 4.01 2fz0A11 VAL 140 HB -0.02 0.04 0.09 -0.04 2.12 2.19 2fz0A11 VAL 140 HG13 -0.03 -0.01 -0.11 -0.04 0.97 0.78 2fz0A11 VAL 140 HG23 -0.07 0.04 -0.03 -0.04 0.95 0.85 2fz0A11 GLU 141 H 0.00 0.40 -0.20 -0.55 8.60 8.26 2fz0A11 GLU 141 HA -0.02 0.01 0.33 -0.75 4.29 3.85 2fz0A11 GLU 141 HB2 -0.05 0.29 0.24 -0.04 2.09 2.53 2fz0A11 GLU 141 HB3 -0.12 0.07 0.02 -0.04 1.99 1.93 2fz0A11 GLU 141 HG2 -0.05 -0.03 0.04 -0.04 2.34 2.26 2fz0A11 GLU 141 HG3 -0.08 -0.02 -0.00 -0.04 2.34 2.20 2fz0A11 TYR 142 H 0.10 0.26 -0.75 -0.55 8.29 7.36 2fz0A11 TYR 142 HA -0.01 0.00 0.33 -0.75 4.56 4.13 2fz0A11 TYR 142 HB2 -0.01 0.18 0.12 -0.04 3.06 3.31 2fz0A11 TYR 142 HB3 -0.01 -0.03 -0.06 -0.04 2.98 2.85 2fz0A11 TYR 142 HD2 -0.01 0.01 -0.04 -0.04 7.15 7.07 2fz0A11 TYR 142 HE2 -0.00 -0.03 -0.05 -0.04 6.85 6.73 2fz0A11 ARG 143 H 0.10 0.44 -0.40 -0.55 8.46 8.05 2fz0A11 ARG 143 HA 0.06 -0.00 0.37 -0.75 4.34 4.01 2fz0A11 ARG 143 HB2 0.04 0.02 0.18 -0.04 1.90 2.10 2fz0A11 ARG 143 HB3 0.02 0.07 0.05 -0.04 1.80 1.90 2fz0A11 ARG 143 HG2 0.01 -0.04 -0.01 -0.04 1.67 1.60 2fz0A11 ARG 143 HG3 0.02 -0.03 0.15 -0.04 1.67 1.77 2fz0A11 ARG 143 HD2 0.01 -0.04 0.05 -0.04 3.22 3.20 2fz0A11 ARG 143 HD3 0.02 0.04 0.06 -0.04 3.22 3.30 2fz0A11 ASN 144 H 0.02 0.46 -0.64 -0.55 8.53 7.83 2fz0A11 ASN 144 HA 0.01 0.14 0.85 -0.75 4.76 5.00 2fz0A11 ASN 144 HB2 -0.01 0.08 0.11 -0.04 2.88 3.02 2fz0A11 ASN 144 HB3 -0.01 -0.09 0.18 -0.04 2.79 2.84 2fz0A11 ASN 144 HD21 -0.00 -0.03 0.01 -0.04 7.03 6.96 2fz0A11 ASN 144 HD22 -0.00 -0.03 -0.05 -0.04 7.74 7.61 2fz0A11 GLN 145 H 0.04 0.60 -0.35 -0.55 8.47 8.21 2fz0A11 GLN 145 HA -0.01 0.10 0.94 -0.75 4.36 4.63 2fz0A11 GLN 145 HB2 0.03 0.15 0.22 -0.04 2.15 2.51 2fz0A11 GLN 145 HB3 0.02 -0.04 0.08 -0.04 2.02 2.04 2fz0A11 GLN 145 HG2 -0.08 0.05 -0.10 -0.04 2.40 2.22 2fz0A11 GLN 145 HG3 -0.24 -0.02 -0.16 -0.04 2.39 1.92 2fz0A11 GLN 145 HE21 -0.03 0.02 -0.06 -0.04 6.97 6.87 2fz0A11 GLN 145 HE22 -0.04 -0.04 -0.04 -0.04 7.69 7.53 2fz0A11 THR 146 H 0.00 0.21 -0.00 -0.55 8.28 7.94 2fz0A11 THR 146 HA 0.01 -0.01 0.27 -0.75 4.39 3.90 2fz0A11 THR 146 HB 0.01 -0.03 0.01 -0.04 4.32 4.27 2fz0A11 THR 146 HG23 0.03 0.01 -0.14 -0.04 1.22 1.08 2fz0A11 LEU 147 H 0.02 0.09 -0.44 -0.55 8.37 7.49 2fz0A11 LEU 147 HA 0.02 0.19 0.86 -0.75 4.35 4.67 2fz0A11 LEU 147 HB2 0.02 0.12 0.10 -0.04 1.64 1.84 2fz0A11 LEU 147 HB3 0.02 -0.08 0.06 -0.04 1.64 1.60 2fz0A11 LEU 147 HG 0.06 0.12 -0.31 -0.04 1.64 1.47 2fz0A11 LEU 147 HD13 0.06 -0.00 0.00 -0.04 0.93 0.95 2fz0A11 LEU 147 HD23 0.04 0.02 -0.09 -0.04 0.89 0.82 2fz0A11 ASN 148 H 0.01 0.26 -0.18 -0.55 8.53 8.08 2fz0A11 ASN 148 HA 0.01 0.16 0.80 -0.75 4.76 4.97 2fz0A11 ASN 148 HB2 0.00 -0.03 -0.02 -0.04 2.88 2.79 2fz0A11 ASN 148 HB3 0.01 0.01 0.17 -0.04 2.79 2.93 2fz0A11 ASN 148 HD21 0.00 0.00 -0.03 -0.04 7.03 6.96 2fz0A11 ASN 148 HD22 0.00 -0.01 -0.02 -0.04 7.74 7.67 2fz0A11 SER 149 H 0.01 0.27 -0.03 -0.55 8.46 8.16 2fz0A11 SER 149 HA 0.00 0.10 0.27 -0.75 4.49 4.11 2fz0A11 SER 149 HB2 0.01 0.13 -0.38 -0.04 3.95 3.67 2fz0A11 SER 149 HB3 0.01 0.02 -0.10 -0.04 3.93 3.81