============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 2 0.840 6.328 -2.144 3.164 -99.200 -91.000 TRP 19 1.040 2.063 -8.055 -21.310 -99.200 -91.000 TRP6 19 1.020 1.860 -9.577 -19.500 -99.200 -91.000 TYR 20 0.840 -4.597 -10.421 -24.095 -99.200 -91.000 TYR 42 0.840 -11.624 -1.226 -21.795 -99.200 -91.000 TRP 61 1.040 -16.119 3.322 -26.330 -99.200 -91.000 TRP6 61 1.020 -17.773 2.314 -24.958 -99.200 -91.000 PHE 82 1.000 9.904 0.906 -17.330 -99.200 -91.000 TYR 99 0.840 10.929 -11.876 -16.025 -99.200 -91.000 TYR 102 0.840 1.047 -13.000 -11.682 -99.200 -91.000 PHE 105 1.000 0.319 -1.120 -15.311 -99.200 -91.000 PHE 136 1.000 -5.517 -6.084 -8.714 -99.200 -91.000 HIS 146 0.900 -9.910 6.518 -1.724 -99.200 -91.000 PHE 151 1.000 -11.204 -3.926 -16.694 -99.200 -91.000 HIS 161 0.900 -15.724 -3.333 -36.341 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dv9A13 ALA 1 HA -0.07 -0.01 0.20 -0.75 4.34 3.71 1dv9A13 ALA 1 HB3 -0.06 -0.01 0.04 -0.04 1.41 1.33 1dv9A13 TYR 2 H -0.80 0.05 0.11 -0.55 8.29 7.10 1dv9A13 TYR 2 HA -0.01 0.18 0.87 -0.75 4.56 4.85 1dv9A13 TYR 2 HB2 -0.01 0.14 -0.04 -0.04 3.06 3.12 1dv9A13 TYR 2 HB3 -0.01 -0.04 0.00 -0.04 2.98 2.90 1dv9A13 TYR 2 HD2 -0.01 0.17 -0.17 -0.04 7.15 7.10 1dv9A13 TYR 2 HE2 -0.01 -0.03 -0.04 -0.04 6.85 6.73 1dv9A13 VAL 3 H -0.51 -0.05 0.06 -0.55 8.24 7.20 1dv9A13 VAL 3 HA -0.10 -0.09 0.39 -0.75 4.13 3.57 1dv9A13 VAL 3 HB 0.01 0.21 0.16 -0.04 2.12 2.46 1dv9A13 VAL 3 HG13 -0.01 -0.04 -0.08 -0.04 0.97 0.80 1dv9A13 VAL 3 HG23 -0.07 0.01 -0.28 -0.04 0.95 0.58 1dv9A13 THR 4 H 0.05 0.04 0.07 -0.55 8.28 7.89 1dv9A13 THR 4 HA 0.09 0.03 0.28 -0.75 4.39 4.03 1dv9A13 THR 4 HB 0.04 -0.18 0.14 -0.04 4.32 4.27 1dv9A13 THR 4 HG23 0.02 -0.01 -0.10 -0.04 1.22 1.09 1dv9A13 GLN 5 H 0.05 -0.06 0.17 -0.55 8.47 8.08 1dv9A13 GLN 5 HA 0.02 0.26 0.85 -0.75 4.36 4.73 1dv9A13 GLN 5 HB2 0.02 -0.13 -0.01 -0.04 2.15 1.99 1dv9A13 GLN 5 HB3 0.01 0.15 -0.07 -0.04 2.02 2.07 1dv9A13 GLN 5 HG2 -0.04 0.06 0.06 -0.04 2.40 2.44 1dv9A13 GLN 5 HG3 -0.04 -0.03 -0.07 -0.04 2.39 2.21 1dv9A13 GLN 5 HE21 -0.01 0.09 -0.12 -0.04 6.97 6.90 1dv9A13 GLN 5 HE22 -0.00 -0.06 -0.03 -0.04 7.69 7.55 1dv9A13 THR 6 H 0.03 -0.17 0.12 -0.55 8.28 7.71 1dv9A13 THR 6 HA 0.01 -0.10 0.40 -0.75 4.39 3.94 1dv9A13 THR 6 HB 0.01 0.14 0.24 -0.04 4.32 4.66 1dv9A13 THR 6 HG23 -0.01 -0.04 -0.01 -0.04 1.22 1.12 1dv9A13 MET 7 H 0.01 0.36 0.21 -0.55 8.47 8.50 1dv9A13 MET 7 HA -0.01 0.08 0.36 -0.75 4.52 4.19 1dv9A13 MET 7 HB2 -0.00 0.10 -0.06 -0.04 2.15 2.15 1dv9A13 MET 7 HB3 -0.01 -0.19 0.08 -0.04 2.03 1.87 1dv9A13 MET 7 HG2 -0.06 -0.13 -0.12 -0.04 2.63 2.29 1dv9A13 MET 7 HG3 -0.04 0.19 -0.35 -0.04 2.56 2.32 1dv9A13 MET 7 HE3 -0.18 0.02 0.03 -0.04 2.10 1.92 1dv9A13 LYS 8 H -0.02 -0.10 -0.16 -0.55 8.42 7.59 1dv9A13 LYS 8 HA -0.03 -0.24 0.34 -0.75 4.32 3.64 1dv9A13 LYS 8 HB2 -0.01 -0.01 -0.10 -0.04 1.87 1.71 1dv9A13 LYS 8 HB3 -0.01 0.39 -0.07 -0.04 1.79 2.06 1dv9A13 LYS 8 HG2 -0.01 -0.25 0.10 -0.04 1.46 1.26 1dv9A13 LYS 8 HG3 -0.01 -0.00 0.03 -0.04 1.46 1.43 1dv9A13 LYS 8 HD2 -0.00 0.08 -0.02 -0.04 1.69 1.71 1dv9A13 LYS 8 HD3 0.00 0.03 -0.26 -0.04 1.68 1.42 1dv9A13 LYS 8 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.92 1dv9A13 LYS 8 HE3 -0.00 -0.05 0.01 -0.04 2.99 2.91 1dv9A13 GLY 9 H -0.01 0.05 0.13 -0.55 8.43 8.04 1dv9A13 GLY 9 HA2 0.02 -0.00 0.32 -0.51 4.01 3.84 1dv9A13 GLY 9 HA3 0.03 0.12 0.39 -0.51 4.01 4.03 1dv9A13 LEU 10 H 0.02 0.00 -0.23 -0.55 8.37 7.62 1dv9A13 LEU 10 HA 0.10 0.24 0.76 -0.75 4.35 4.70 1dv9A13 LEU 10 HB2 0.01 0.08 -0.23 -0.04 1.64 1.45 1dv9A13 LEU 10 HB3 0.05 -0.05 -0.08 -0.04 1.64 1.52 1dv9A13 LEU 10 HG 0.11 0.03 -0.31 -0.04 1.64 1.43 1dv9A13 LEU 10 HD13 0.01 0.00 -0.15 -0.04 0.93 0.75 1dv9A13 LEU 10 HD23 0.17 -0.01 -0.28 -0.04 0.89 0.73 1dv9A13 ASP 11 H 0.32 0.31 0.01 -0.55 8.40 8.49 1dv9A13 ASP 11 HA 0.10 0.06 0.38 -0.75 4.63 4.42 1dv9A13 ASP 11 HB2 0.10 0.11 0.15 -0.04 2.71 3.03 1dv9A13 ASP 11 HB3 -0.01 -0.08 0.20 -0.04 2.70 2.77 1dv9A13 ILE 12 H 0.13 0.34 0.38 -0.55 8.25 8.56 1dv9A13 ILE 12 HA 0.15 0.06 0.26 -0.75 4.18 3.89 1dv9A13 ILE 12 HB 0.22 0.09 0.13 -0.04 1.89 2.29 1dv9A13 ILE 12 HG12 0.02 0.06 -0.06 -0.04 1.49 1.48 1dv9A13 ILE 12 HG13 0.04 -0.03 -0.04 -0.04 1.21 1.14 1dv9A13 ILE 12 HG23 0.09 0.03 -0.04 -0.04 0.93 0.97 1dv9A13 ILE 12 HD13 -0.03 0.00 -0.08 -0.04 0.88 0.74 1dv9A13 GLN 13 H 0.07 0.02 -0.53 -0.55 8.47 7.48 1dv9A13 GLN 13 HA 0.04 0.10 0.38 -0.75 4.36 4.13 1dv9A13 GLN 13 HB2 0.02 -0.08 0.01 -0.04 2.15 2.07 1dv9A13 GLN 13 HB3 -0.00 0.07 -0.08 -0.04 2.02 1.96 1dv9A13 GLN 13 HG2 0.01 0.04 -0.01 -0.04 2.40 2.40 1dv9A13 GLN 13 HG3 0.02 -0.01 -0.03 -0.04 2.39 2.33 1dv9A13 GLN 13 HE21 0.03 -0.08 -0.01 -0.04 6.97 6.87 1dv9A13 GLN 13 HE22 0.02 0.02 -0.01 -0.04 7.69 7.68 1dv9A13 LYS 14 H 0.06 0.59 -0.27 -0.55 8.42 8.25 1dv9A13 LYS 14 HA -0.04 0.07 0.40 -0.75 4.32 3.99 1dv9A13 LYS 14 HB2 0.12 0.22 0.11 -0.04 1.87 2.28 1dv9A13 LYS 14 HB3 0.03 -0.06 -0.07 -0.04 1.79 1.66 1dv9A13 LYS 14 HG2 -0.31 -0.07 0.03 -0.04 1.46 1.07 1dv9A13 LYS 14 HG3 -1.48 -0.04 0.03 -0.04 1.46 -0.08 1dv9A13 LYS 14 HD2 -0.19 0.07 0.04 -0.04 1.69 1.58 1dv9A13 LYS 14 HD3 -0.25 -0.01 -0.01 -0.04 1.68 1.36 1dv9A13 LYS 14 HE2 -1.15 -0.03 -0.00 -0.04 2.99 1.77 1dv9A13 LYS 14 HE3 -0.24 -0.01 -0.01 -0.04 2.99 2.69 1dv9A13 VAL 15 H 0.19 0.21 -0.33 -0.55 8.24 7.75 1dv9A13 VAL 15 HA 0.49 0.10 0.40 -0.75 4.13 4.36 1dv9A13 VAL 15 HB 0.41 0.00 0.02 -0.04 2.12 2.51 1dv9A13 VAL 15 HG13 0.18 -0.04 -0.11 -0.04 0.97 0.96 1dv9A13 VAL 15 HG23 0.09 -0.03 -0.11 -0.04 0.95 0.86 1dv9A13 ALA 16 H 0.10 0.13 -0.57 -0.55 8.40 7.51 1dv9A13 ALA 16 HA 0.06 -0.08 0.54 -0.75 4.34 4.11 1dv9A13 ALA 16 HB3 0.02 0.02 0.16 -0.04 1.41 1.57 1dv9A13 GLY 17 H 0.06 0.48 0.43 -0.55 8.43 8.85 1dv9A13 GLY 17 HA2 -0.09 -0.08 0.34 -0.51 4.01 3.67 1dv9A13 GLY 17 HA3 -0.19 0.10 0.44 -0.51 4.01 3.86 1dv9A13 THR 18 H -0.20 0.08 0.17 -0.55 8.28 7.78 1dv9A13 THR 18 HA -0.19 -0.02 0.63 -0.75 4.39 4.05 1dv9A13 THR 18 HB -0.18 0.04 0.08 -0.04 4.32 4.22 1dv9A13 THR 18 HG23 -0.22 0.05 0.10 -0.04 1.22 1.12 1dv9A13 TRP 19 H -0.25 0.40 0.39 -0.55 7.97 7.97 1dv9A13 TRP 19 HA -0.20 0.20 0.79 -0.75 4.62 4.66 1dv9A13 TRP 19 HB2 -0.17 -0.10 -0.19 -0.04 3.23 2.72 1dv9A13 TRP 19 HB3 -0.11 -0.07 -0.19 -0.04 3.23 2.82 1dv9A13 TRP 19 HD1 -0.10 -0.05 0.05 -0.04 7.22 7.08 1dv9A13 TRP 19 HE1 -0.03 0.18 0.08 -0.04 10.20 10.39 1dv9A13 TRP 19 HE3 0.06 0.07 -0.68 -0.04 7.59 7.00 1dv9A13 TRP 19 HZ2 0.04 0.07 -0.07 -0.04 7.44 7.44 1dv9A13 TRP 19 HZ3 0.12 -0.19 -0.21 -0.04 7.13 6.81 1dv9A13 TRP 19 HH2 0.05 -0.21 -0.29 -0.04 7.19 6.71 1dv9A13 TYR 20 H 0.50 0.31 0.09 -0.55 8.29 8.64 1dv9A13 TYR 20 HA 0.10 0.28 0.71 -0.75 4.56 4.89 1dv9A13 TYR 20 HB2 0.10 -0.02 -0.13 -0.04 3.06 2.97 1dv9A13 TYR 20 HB3 0.06 0.01 0.01 -0.04 2.98 3.01 1dv9A13 TYR 20 HD2 0.04 0.11 -0.21 -0.04 7.15 7.05 1dv9A13 TYR 20 HE2 -0.05 0.11 -0.06 -0.04 6.85 6.81 1dv9A13 SER 21 H 0.09 0.27 0.13 -0.55 8.46 8.40 1dv9A13 SER 21 HA -0.03 0.11 0.85 -0.75 4.49 4.67 1dv9A13 SER 21 HB2 -0.17 -0.01 0.11 -0.04 3.95 3.84 1dv9A13 SER 21 HB3 -0.35 0.04 0.13 -0.04 3.93 3.71 1dv9A13 LEU 22 H -0.08 0.38 0.39 -0.55 8.37 8.52 1dv9A13 LEU 22 HA 0.11 0.26 0.93 -0.75 4.35 4.89 1dv9A13 LEU 22 HB2 0.05 0.03 -0.04 -0.04 1.64 1.64 1dv9A13 LEU 22 HB3 -0.07 -0.03 0.05 -0.04 1.64 1.55 1dv9A13 LEU 22 HG -0.07 -0.01 -0.17 -0.04 1.64 1.35 1dv9A13 LEU 22 HD13 0.05 0.02 0.21 -0.04 0.93 1.17 1dv9A13 LEU 22 HD23 -0.03 -0.04 -0.07 -0.04 0.89 0.71 1dv9A13 ALA 23 H -0.18 0.24 0.35 -0.55 8.40 8.27 1dv9A13 ALA 23 HA 0.19 0.20 0.78 -0.75 4.34 4.76 1dv9A13 ALA 23 HB3 -0.79 0.00 0.02 -0.04 1.41 0.60 1dv9A13 MET 24 H 0.19 0.66 0.21 -0.55 8.47 8.98 1dv9A13 MET 24 HA 0.06 0.06 0.89 -0.75 4.52 4.77 1dv9A13 MET 24 HB2 0.25 -0.01 -0.00 -0.04 2.15 2.34 1dv9A13 MET 24 HB3 0.06 0.03 -0.05 -0.04 2.03 2.02 1dv9A13 MET 24 HG2 -0.09 0.07 -0.03 -0.04 2.63 2.55 1dv9A13 MET 24 HG3 0.06 -0.12 -0.73 -0.04 2.56 1.73 1dv9A13 MET 24 HE3 -0.18 0.00 0.06 -0.04 2.10 1.94 1dv9A13 ALA 25 H 0.10 0.65 0.41 -0.55 8.40 9.01 1dv9A13 ALA 25 HA 0.08 0.33 1.17 -0.75 4.34 5.16 1dv9A13 ALA 25 HB3 0.06 -0.02 0.05 -0.04 1.41 1.47 1dv9A13 ALA 26 H 0.04 0.46 0.26 -0.55 8.40 8.61 1dv9A13 ALA 26 HA -0.00 0.14 1.09 -0.75 4.34 4.82 1dv9A13 ALA 26 HB3 0.00 0.06 -0.06 -0.04 1.41 1.37 1dv9A13 SER 27 H -0.01 0.57 0.27 -0.55 8.46 8.74 1dv9A13 SER 27 HA 0.09 -0.11 0.44 -0.75 4.49 4.16 1dv9A13 SER 27 HB2 -0.02 -0.00 0.11 -0.04 3.95 4.00 1dv9A13 SER 27 HB3 0.00 0.08 0.16 -0.04 3.93 4.13 1dv9A13 ASP 28 H -0.04 0.14 -0.34 -0.55 8.40 7.61 1dv9A13 ASP 28 HA -0.16 0.20 0.95 -0.75 4.63 4.86 1dv9A13 ASP 28 HB2 -0.06 0.03 0.09 -0.04 2.71 2.73 1dv9A13 ASP 28 HB3 -0.04 -0.19 0.03 -0.04 2.70 2.46 1dv9A13 ILE 29 H -0.05 0.25 0.10 -0.55 8.25 8.01 1dv9A13 ILE 29 HA 0.02 0.13 0.26 -0.75 4.18 3.84 1dv9A13 ILE 29 HB 0.01 -0.05 0.05 -0.04 1.89 1.86 1dv9A13 ILE 29 HG12 0.06 0.08 -0.01 -0.04 1.49 1.57 1dv9A13 ILE 29 HG13 0.07 -0.01 0.01 -0.04 1.21 1.23 1dv9A13 ILE 29 HG23 0.02 0.02 -0.10 -0.04 0.93 0.83 1dv9A13 ILE 29 HD13 0.05 -0.00 0.07 -0.04 0.88 0.96 1dv9A13 SER 30 H -0.01 0.07 -0.23 -0.55 8.46 7.74 1dv9A13 SER 30 HA 0.00 0.07 0.32 -0.75 4.49 4.12 1dv9A13 SER 30 HB2 -0.00 0.07 0.02 -0.04 3.95 4.00 1dv9A13 SER 30 HB3 -0.01 -0.01 0.07 -0.04 3.93 3.94 1dv9A13 LEU 31 H -0.01 0.11 -0.34 -0.55 8.37 7.58 1dv9A13 LEU 31 HA 0.00 -0.01 0.31 -0.75 4.35 3.91 1dv9A13 LEU 31 HB2 -0.01 0.24 0.06 -0.04 1.64 1.90 1dv9A13 LEU 31 HB3 0.00 -0.01 -0.04 -0.04 1.64 1.55 1dv9A13 LEU 31 HG -0.02 -0.09 -0.00 -0.04 1.64 1.49 1dv9A13 LEU 31 HD13 -0.01 0.00 -0.14 -0.04 0.93 0.73 1dv9A13 LEU 31 HD23 -0.00 0.01 -0.06 -0.04 0.89 0.80 1dv9A13 LEU 32 H 0.01 0.42 -0.78 -0.55 8.37 7.47 1dv9A13 LEU 32 HA 0.03 0.07 0.75 -0.75 4.35 4.45 1dv9A13 LEU 32 HB2 0.03 -0.10 -0.20 -0.04 1.64 1.32 1dv9A13 LEU 32 HB3 0.04 -0.01 0.11 -0.04 1.64 1.74 1dv9A13 LEU 32 HG 0.07 0.01 -0.15 -0.04 1.64 1.52 1dv9A13 LEU 32 HD13 0.08 0.00 -0.02 -0.04 0.93 0.95 1dv9A13 LEU 32 HD23 0.03 0.00 -0.21 -0.04 0.89 0.67 1dv9A13 ASP 33 H 0.02 0.44 -0.01 -0.55 8.40 8.31 1dv9A13 ASP 33 HA 0.03 0.19 0.90 -0.75 4.63 4.99 1dv9A13 ASP 33 HB2 0.01 0.04 -0.30 -0.04 2.71 2.43 1dv9A13 ASP 33 HB3 0.01 -0.02 -0.03 -0.04 2.70 2.62 1dv9A13 ALA 34 H 0.02 0.06 0.11 -0.55 8.40 8.05 1dv9A13 ALA 34 HA 0.03 0.02 0.31 -0.75 4.34 3.94 1dv9A13 ALA 34 HB3 0.02 -0.01 -0.06 -0.04 1.41 1.32 1dv9A13 GLN 35 H 0.04 0.07 0.14 -0.55 8.47 8.17 1dv9A13 GLN 35 HA 0.18 0.21 0.75 -0.75 4.36 4.75 1dv9A13 GLN 35 HB2 -0.01 -0.03 0.09 -0.04 2.15 2.16 1dv9A13 GLN 35 HB3 0.23 0.05 -0.00 -0.04 2.02 2.25 1dv9A13 GLN 35 HG2 0.21 0.05 -0.00 -0.04 2.40 2.62 1dv9A13 GLN 35 HG3 0.08 -0.07 -0.09 -0.04 2.39 2.26 1dv9A13 GLN 35 HE21 -0.00 -0.04 -0.01 -0.04 6.97 6.87 1dv9A13 GLN 35 HE22 -0.02 0.01 -0.01 -0.04 7.69 7.64 1dv9A13 SER 36 H 0.06 -0.04 -0.03 -0.55 8.46 7.91 1dv9A13 SER 36 HA 0.21 0.24 0.87 -0.75 4.49 5.06 1dv9A13 SER 36 HB2 -0.01 -0.11 -0.01 -0.04 3.95 3.78 1dv9A13 SER 36 HB3 0.05 0.00 0.20 -0.04 3.93 4.14 1dv9A13 ALA 37 H 0.09 0.18 -0.15 -0.55 8.40 7.97 1dv9A13 ALA 37 HA 0.04 0.13 0.62 -0.75 4.34 4.37 1dv9A13 ALA 37 HB3 0.04 0.05 -0.05 -0.04 1.41 1.40 1dv9A13 PRO 38 HA 0.03 0.06 0.27 -0.51 4.44 4.29 1dv9A13 PRO 38 HB2 0.01 -0.03 -0.00 -0.04 2.28 2.22 1dv9A13 PRO 38 HB3 0.02 0.03 0.03 -0.04 2.02 2.05 1dv9A13 PRO 38 HG2 0.01 -0.02 0.02 -0.04 2.03 2.00 1dv9A13 PRO 38 HG3 0.01 0.06 0.07 -0.04 2.03 2.13 1dv9A13 PRO 38 HD2 0.02 0.13 0.16 -0.04 3.68 3.95 1dv9A13 PRO 38 HD3 0.02 0.21 0.24 -0.04 3.65 4.09 1dv9A13 LEU 39 H 0.02 0.26 -0.23 -0.55 8.37 7.87 1dv9A13 LEU 39 HA 0.01 0.02 0.51 -0.75 4.35 4.14 1dv9A13 LEU 39 HB2 0.01 -0.07 0.09 -0.04 1.64 1.63 1dv9A13 LEU 39 HB3 0.01 0.02 -0.17 -0.04 1.64 1.45 1dv9A13 LEU 39 HG -0.01 -0.05 -0.11 -0.04 1.64 1.43 1dv9A13 LEU 39 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.82 1dv9A13 LEU 39 HD23 0.01 0.00 -0.12 -0.04 0.89 0.74 1dv9A13 ARG 40 H 0.02 0.11 -0.19 -0.55 8.46 7.84 1dv9A13 ARG 40 HA -0.04 -0.05 0.31 -0.75 4.34 3.80 1dv9A13 ARG 40 HB2 0.03 -0.03 0.08 -0.04 1.90 1.94 1dv9A13 ARG 40 HB3 0.03 0.03 0.19 -0.04 1.80 2.02 1dv9A13 ARG 40 HG2 -0.20 -0.00 -0.16 -0.04 1.67 1.27 1dv9A13 ARG 40 HG3 -0.05 -0.02 -0.11 -0.04 1.67 1.45 1dv9A13 ARG 40 HD2 0.09 0.01 -0.16 -0.04 3.22 3.11 1dv9A13 ARG 40 HD3 0.16 0.13 -0.12 -0.04 3.22 3.35 1dv9A13 VAL 41 H -0.10 0.20 0.30 -0.55 8.24 8.09 1dv9A13 VAL 41 HA -0.03 0.18 0.85 -0.75 4.13 4.38 1dv9A13 VAL 41 HB 0.01 -0.13 -0.16 -0.04 2.12 1.79 1dv9A13 VAL 41 HG13 0.02 0.01 -0.30 -0.04 0.97 0.66 1dv9A13 VAL 41 HG23 0.01 0.04 0.10 -0.04 0.95 1.05 1dv9A13 TYR 42 H 0.07 0.55 0.13 -0.55 8.29 8.50 1dv9A13 TYR 42 HA -0.11 0.05 0.60 -0.75 4.56 4.35 1dv9A13 TYR 42 HB2 -0.02 0.23 0.31 -0.04 3.06 3.54 1dv9A13 TYR 42 HB3 -0.03 0.07 0.15 -0.04 2.98 3.12 1dv9A13 TYR 42 HD2 -0.02 0.06 0.01 -0.04 7.15 7.16 1dv9A13 TYR 42 HE2 0.26 -0.02 -0.06 -0.04 6.85 6.99 1dv9A13 VAL 43 H -0.03 0.38 0.11 -0.55 8.24 8.14 1dv9A13 VAL 43 HA 0.00 -0.07 0.33 -0.75 4.13 3.63 1dv9A13 VAL 43 HB 0.00 -0.06 -0.12 -0.04 2.12 1.90 1dv9A13 VAL 43 HG13 -0.05 -0.00 -0.29 -0.04 0.97 0.60 1dv9A13 VAL 43 HG23 -0.00 -0.01 -0.07 -0.04 0.95 0.83 1dv9A13 GLU 44 H -0.01 0.64 0.44 -0.55 8.60 9.12 1dv9A13 GLU 44 HA -0.04 0.24 1.02 -0.75 4.29 4.76 1dv9A13 GLU 44 HB2 -0.01 0.07 0.03 -0.04 2.09 2.15 1dv9A13 GLU 44 HB3 -0.03 -0.09 0.01 -0.04 1.99 1.85 1dv9A13 GLU 44 HG2 0.01 0.14 -0.08 -0.04 2.34 2.37 1dv9A13 GLU 44 HG3 0.00 -0.08 -0.08 -0.04 2.34 2.14 1dv9A13 GLU 45 H -0.03 0.35 0.37 -0.55 8.60 8.75 1dv9A13 GLU 45 HA -0.01 0.03 0.96 -0.75 4.29 4.51 1dv9A13 GLU 45 HB2 -0.05 0.01 -0.15 -0.04 2.09 1.87 1dv9A13 GLU 45 HB3 -0.02 -0.05 -0.01 -0.04 1.99 1.87 1dv9A13 GLU 45 HG2 -0.01 -0.03 -0.17 -0.04 2.34 2.08 1dv9A13 GLU 45 HG3 -0.03 0.24 -0.11 -0.04 2.34 2.40 1dv9A13 LEU 46 H 0.21 0.59 0.20 -0.55 8.37 8.82 1dv9A13 LEU 46 HA -0.01 0.28 0.95 -0.75 4.35 4.82 1dv9A13 LEU 46 HB2 0.01 -0.07 -0.22 -0.04 1.64 1.32 1dv9A13 LEU 46 HB3 0.11 0.07 0.05 -0.04 1.64 1.83 1dv9A13 LEU 46 HG -0.19 -0.02 -0.16 -0.04 1.64 1.23 1dv9A13 LEU 46 HD13 -0.25 0.01 -0.07 -0.04 0.93 0.58 1dv9A13 LEU 46 HD23 -0.57 -0.02 -0.16 -0.04 0.89 0.11 1dv9A13 LYS 47 H -0.01 0.49 0.20 -0.55 8.42 8.55 1dv9A13 LYS 47 HA 0.05 0.18 0.63 -0.75 4.32 4.43 1dv9A13 LYS 47 HB2 0.03 -0.04 -0.07 -0.04 1.87 1.75 1dv9A13 LYS 47 HB3 0.00 -0.04 0.02 -0.04 1.79 1.73 1dv9A13 LYS 47 HG2 0.01 0.12 -0.07 -0.04 1.46 1.49 1dv9A13 LYS 47 HG3 0.01 -0.05 0.01 -0.04 1.46 1.39 1dv9A13 LYS 47 HD2 -0.01 -0.07 -0.06 -0.04 1.69 1.50 1dv9A13 LYS 47 HD3 -0.00 0.11 -0.08 -0.04 1.68 1.66 1dv9A13 LYS 47 HE2 -0.01 -0.00 -0.06 -0.04 2.99 2.88 1dv9A13 LYS 47 HE3 -0.01 -0.01 -0.09 -0.04 2.99 2.83 1dv9A13 PRO 48 HA -0.04 0.02 0.51 -0.51 4.44 4.43 1dv9A13 PRO 48 HB2 0.02 0.06 0.05 -0.04 2.28 2.37 1dv9A13 PRO 48 HB3 0.02 0.01 0.02 -0.04 2.02 2.03 1dv9A13 PRO 48 HG2 0.02 0.03 -0.13 -0.04 2.03 1.91 1dv9A13 PRO 48 HG3 0.04 -0.11 -0.70 -0.04 2.03 1.23 1dv9A13 PRO 48 HD2 0.03 0.08 0.18 -0.04 3.68 3.94 1dv9A13 PRO 48 HD3 0.04 0.24 0.04 -0.04 3.65 3.93 1dv9A13 THR 49 H 0.00 0.38 0.11 -0.55 8.28 8.23 1dv9A13 THR 49 HA -0.00 0.28 0.79 -0.75 4.39 4.70 1dv9A13 THR 49 HB -0.00 -0.25 0.02 -0.04 4.32 4.04 1dv9A13 THR 49 HG23 -0.01 0.03 -0.05 -0.04 1.22 1.15 1dv9A13 PRO 50 HA 0.01 0.12 0.38 -0.51 4.44 4.44 1dv9A13 PRO 50 HB2 0.00 0.05 -0.01 -0.04 2.28 2.29 1dv9A13 PRO 50 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 1dv9A13 PRO 50 HG2 0.00 0.01 0.04 -0.04 2.03 2.05 1dv9A13 PRO 50 HG3 0.00 0.08 0.06 -0.04 2.03 2.13 1dv9A13 PRO 50 HD2 -0.00 0.09 0.20 -0.04 3.68 3.93 1dv9A13 PRO 50 HD3 -0.00 0.20 0.15 -0.04 3.65 3.96 1dv9A13 GLU 51 H 0.01 0.03 -0.36 -0.55 8.60 7.73 1dv9A13 GLU 51 HA 0.01 0.19 0.62 -0.75 4.29 4.36 1dv9A13 GLU 51 HB2 0.01 -0.05 0.05 -0.04 2.09 2.05 1dv9A13 GLU 51 HB3 0.01 0.02 0.01 -0.04 1.99 1.99 1dv9A13 GLU 51 HG2 0.01 -0.01 -0.07 -0.04 2.34 2.22 1dv9A13 GLU 51 HG3 0.00 0.02 -0.00 -0.04 2.34 2.32 1dv9A13 GLY 52 H 0.02 0.13 -0.29 -0.55 8.43 7.74 1dv9A13 GLY 52 HA2 0.04 0.05 0.32 -0.51 4.01 3.91 1dv9A13 GLY 52 HA3 0.04 0.20 0.89 -0.51 4.01 4.62 1dv9A13 ASP 53 H 0.02 -0.02 -0.17 -0.55 8.40 7.69 1dv9A13 ASP 53 HA 0.04 0.05 0.31 -0.75 4.63 4.27 1dv9A13 ASP 53 HB2 -0.02 0.13 0.05 -0.04 2.71 2.84 1dv9A13 ASP 53 HB3 0.01 0.01 0.12 -0.04 2.70 2.80 1dv9A13 LEU 54 H -0.09 0.43 0.08 -0.55 8.37 8.24 1dv9A13 LEU 54 HA -0.11 0.13 0.86 -0.75 4.35 4.47 1dv9A13 LEU 54 HB2 -0.47 0.06 -0.16 -0.04 1.64 1.04 1dv9A13 LEU 54 HB3 -0.40 -0.10 0.01 -0.04 1.64 1.12 1dv9A13 LEU 54 HG -0.27 -0.01 -0.45 -0.04 1.64 0.87 1dv9A13 LEU 54 HD13 -0.15 0.01 -0.29 -0.04 0.93 0.46 1dv9A13 LEU 54 HD23 -0.66 0.00 -0.17 -0.04 0.89 0.02 1dv9A13 GLU 55 H -0.08 0.43 -0.04 -0.55 8.60 8.36 1dv9A13 GLU 55 HA -0.06 0.10 0.77 -0.75 4.29 4.34 1dv9A13 GLU 55 HB2 -0.03 0.02 0.04 -0.04 2.09 2.08 1dv9A13 GLU 55 HB3 -0.03 -0.00 0.30 -0.04 1.99 2.21 1dv9A13 GLU 55 HG2 -0.03 -0.04 -0.15 -0.04 2.34 2.08 1dv9A13 GLU 55 HG3 -0.02 -0.02 -0.07 -0.04 2.34 2.18 1dv9A13 ILE 56 H -0.09 0.59 0.18 -0.55 8.25 8.39 1dv9A13 ILE 56 HA -0.11 0.26 0.92 -0.75 4.18 4.49 1dv9A13 ILE 56 HB -0.10 -0.11 0.28 -0.04 1.89 1.93 1dv9A13 ILE 56 HG12 -0.27 -0.00 -0.12 -0.04 1.49 1.06 1dv9A13 ILE 56 HG13 -0.21 -0.08 -0.41 -0.04 1.21 0.48 1dv9A13 ILE 56 HG23 -0.15 0.01 -0.15 -0.04 0.93 0.60 1dv9A13 ILE 56 HD13 -0.17 0.02 -0.02 -0.04 0.88 0.66 1dv9A13 LEU 57 H -0.04 0.58 0.17 -0.55 8.37 8.53 1dv9A13 LEU 57 HA -0.02 0.11 0.85 -0.75 4.35 4.54 1dv9A13 LEU 57 HB2 -0.02 -0.00 0.07 -0.04 1.64 1.65 1dv9A13 LEU 57 HB3 -0.02 -0.18 0.27 -0.04 1.64 1.66 1dv9A13 LEU 57 HG -0.01 0.02 -0.02 -0.04 1.64 1.58 1dv9A13 LEU 57 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.81 1dv9A13 LEU 57 HD23 -0.00 0.01 -0.18 -0.04 0.89 0.68 1dv9A13 LEU 58 H -0.01 0.43 0.24 -0.55 8.37 8.49 1dv9A13 LEU 58 HA 0.01 0.07 0.81 -0.75 4.35 4.49 1dv9A13 LEU 58 HB2 0.03 -0.01 -0.25 -0.04 1.64 1.37 1dv9A13 LEU 58 HB3 -0.00 -0.01 -0.21 -0.04 1.64 1.38 1dv9A13 LEU 58 HG 0.01 -0.01 -0.33 -0.04 1.64 1.26 1dv9A13 LEU 58 HD13 0.02 -0.01 -0.19 -0.04 0.93 0.70 1dv9A13 LEU 58 HD23 -0.02 -0.04 -0.16 -0.04 0.89 0.63 1dv9A13 GLN 59 H 0.08 0.27 -0.20 -0.55 8.47 8.06 1dv9A13 GLN 59 HA 0.06 0.07 1.17 -0.75 4.36 4.90 1dv9A13 GLN 59 HB2 0.07 0.26 0.12 -0.04 2.15 2.56 1dv9A13 GLN 59 HB3 0.05 0.01 0.02 -0.04 2.02 2.05 1dv9A13 GLN 59 HG2 0.02 -0.05 0.06 -0.04 2.40 2.40 1dv9A13 GLN 59 HG3 0.01 -0.01 -0.12 -0.04 2.39 2.24 1dv9A13 GLN 59 HE21 -0.03 0.07 -0.06 -0.04 6.97 6.91 1dv9A13 GLN 59 HE22 -0.05 -0.08 -0.11 -0.04 7.69 7.41 1dv9A13 LYS 60 H 0.10 0.30 0.16 -0.55 8.42 8.43 1dv9A13 LYS 60 HA 0.22 0.25 0.88 -0.75 4.32 4.92 1dv9A13 LYS 60 HB2 0.10 -0.06 -0.05 -0.04 1.87 1.81 1dv9A13 LYS 60 HB3 0.14 -0.04 -0.08 -0.04 1.79 1.77 1dv9A13 LYS 60 HG2 0.14 0.19 0.09 -0.04 1.46 1.83 1dv9A13 LYS 60 HG3 0.08 0.00 -0.10 -0.04 1.46 1.41 1dv9A13 LYS 60 HD2 0.08 -0.01 -0.10 -0.04 1.69 1.62 1dv9A13 LYS 60 HD3 0.12 -0.04 -0.10 -0.04 1.68 1.62 1dv9A13 LYS 60 HE2 0.10 0.06 -0.09 -0.04 2.99 3.02 1dv9A13 LYS 60 HE3 0.20 -0.13 0.06 -0.04 2.99 3.07 1dv9A13 TRP 61 H 0.32 0.29 0.10 -0.55 7.97 8.14 1dv9A13 TRP 61 HA 0.06 0.02 0.96 -0.75 4.62 4.90 1dv9A13 TRP 61 HB2 0.16 0.08 -0.09 -0.04 3.23 3.33 1dv9A13 TRP 61 HB3 0.09 0.04 0.01 -0.04 3.23 3.33 1dv9A13 TRP 61 HD1 0.03 -0.18 -0.27 -0.04 7.22 6.76 1dv9A13 TRP 61 HE1 0.02 0.04 -0.42 -0.04 10.20 9.79 1dv9A13 TRP 61 HE3 0.13 0.15 -0.08 -0.04 7.59 7.74 1dv9A13 TRP 61 HZ2 0.02 0.03 -0.01 -0.04 7.44 7.44 1dv9A13 TRP 61 HZ3 0.07 -0.01 -0.01 -0.04 7.13 7.13 1dv9A13 TRP 61 HH2 0.03 -0.03 -0.00 -0.04 7.19 7.14 1dv9A13 GLU 62 H 0.36 0.21 0.02 -0.55 8.60 8.65 1dv9A13 GLU 62 HA 0.04 0.16 0.60 -0.75 4.29 4.33 1dv9A13 GLU 62 HB2 0.12 0.20 0.15 -0.04 2.09 2.52 1dv9A13 GLU 62 HB3 0.03 -0.07 -0.00 -0.04 1.99 1.91 1dv9A13 GLU 62 HG2 0.05 0.01 -0.00 -0.04 2.34 2.35 1dv9A13 GLU 62 HG3 0.02 0.01 0.02 -0.04 2.34 2.35 1dv9A13 ASN 63 H -0.02 0.05 -0.16 -0.55 8.53 7.85 1dv9A13 ASN 63 HA -0.54 0.11 0.28 -0.75 4.76 3.87 1dv9A13 ASN 63 HB2 -0.09 0.01 -0.46 -0.04 2.88 2.30 1dv9A13 ASN 63 HB3 -0.10 -0.04 0.02 -0.04 2.79 2.63 1dv9A13 ASN 63 HD21 -0.08 -0.05 -0.01 -0.04 7.03 6.85 1dv9A13 ASN 63 HD22 -0.10 -0.01 0.02 -0.04 7.74 7.60 1dv9A13 ASP 64 H -0.00 0.11 0.11 -0.55 8.40 8.07 1dv9A13 ASP 64 HA 0.10 0.21 0.76 -0.75 4.63 4.94 1dv9A13 ASP 64 HB2 0.06 0.05 0.05 -0.04 2.71 2.83 1dv9A13 ASP 64 HB3 0.02 0.01 0.06 -0.04 2.70 2.76 1dv9A13 GLU 65 H 0.14 -0.04 0.08 -0.55 8.60 8.24 1dv9A13 GLU 65 HA 0.19 0.27 0.91 -0.75 4.29 4.91 1dv9A13 GLU 65 HB2 0.06 -0.09 -0.07 -0.04 2.09 1.96 1dv9A13 GLU 65 HB3 0.06 0.03 0.03 -0.04 1.99 2.07 1dv9A13 GLU 65 HG2 0.01 0.08 0.20 -0.04 2.34 2.60 1dv9A13 GLU 65 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.29 1dv9A13 CYS 66 H 0.09 0.25 0.14 -0.55 8.50 8.44 1dv9A13 CYS 66 HA 0.37 -0.19 0.59 -0.75 4.58 4.59 1dv9A13 CYS 66 HB2 -0.05 0.31 0.09 -0.04 2.97 3.29 1dv9A13 CYS 66 HB3 -0.33 -0.04 0.07 -0.04 2.97 2.63 1dv9A13 ALA 67 H 0.16 0.46 0.14 -0.55 8.40 8.61 1dv9A13 ALA 67 HA 0.05 0.19 0.87 -0.75 4.34 4.70 1dv9A13 ALA 67 HB3 0.08 -0.01 -0.05 -0.04 1.41 1.38 1dv9A13 GLN 68 H 0.03 0.16 0.12 -0.55 8.47 8.23 1dv9A13 GLN 68 HA 0.03 0.22 1.08 -0.75 4.36 4.93 1dv9A13 GLN 68 HB2 0.01 -0.06 0.13 -0.04 2.15 2.19 1dv9A13 GLN 68 HB3 0.01 0.01 0.04 -0.04 2.02 2.04 1dv9A13 GLN 68 HG2 0.01 0.11 -0.03 -0.04 2.40 2.44 1dv9A13 GLN 68 HG3 0.00 -0.00 -0.15 -0.04 2.39 2.20 1dv9A13 GLN 68 HE21 -0.00 0.06 -0.08 -0.04 6.97 6.91 1dv9A13 GLN 68 HE22 -0.00 -0.04 -0.06 -0.04 7.69 7.55 1dv9A13 LYS 69 H 0.03 0.47 0.29 -0.55 8.42 8.66 1dv9A13 LYS 69 HA 0.02 0.17 0.88 -0.75 4.32 4.63 1dv9A13 LYS 69 HB2 0.04 -0.03 -0.09 -0.04 1.87 1.74 1dv9A13 LYS 69 HB3 0.02 -0.02 -0.07 -0.04 1.79 1.68 1dv9A13 LYS 69 HG2 0.03 0.02 -0.08 -0.04 1.46 1.38 1dv9A13 LYS 69 HG3 0.02 0.02 0.03 -0.04 1.46 1.49 1dv9A13 LYS 69 HD2 0.03 0.04 -0.57 -0.04 1.69 1.14 1dv9A13 LYS 69 HD3 0.05 -0.05 -0.24 -0.04 1.68 1.40 1dv9A13 LYS 69 HE2 0.02 0.04 -0.06 -0.04 2.99 2.95 1dv9A13 LYS 69 HE3 0.04 -0.04 -0.11 -0.04 2.99 2.83 1dv9A13 LYS 70 H 0.00 0.23 0.18 -0.55 8.42 8.28 1dv9A13 LYS 70 HA -0.02 0.26 0.81 -0.75 4.32 4.62 1dv9A13 LYS 70 HB2 -0.01 0.11 -0.15 -0.04 1.87 1.77 1dv9A13 LYS 70 HB3 -0.01 -0.02 -0.08 -0.04 1.79 1.63 1dv9A13 LYS 70 HG2 -0.03 -0.02 -0.44 -0.04 1.46 0.93 1dv9A13 LYS 70 HG3 -0.03 -0.03 -0.43 -0.04 1.46 0.92 1dv9A13 LYS 70 HD2 -0.01 -0.02 -0.17 -0.04 1.69 1.45 1dv9A13 LYS 70 HD3 -0.02 -0.02 -0.18 -0.04 1.68 1.42 1dv9A13 LYS 70 HE2 -0.02 0.02 -0.13 -0.04 2.99 2.83 1dv9A13 LYS 70 HE3 -0.01 0.01 -0.12 -0.04 2.99 2.82 1dv9A13 ILE 71 H -0.04 0.65 0.27 -0.55 8.25 8.58 1dv9A13 ILE 71 HA -0.02 0.17 0.99 -0.75 4.18 4.57 1dv9A13 ILE 71 HB -0.05 0.01 0.11 -0.04 1.89 1.92 1dv9A13 ILE 71 HG12 -0.01 -0.01 -0.08 -0.04 1.49 1.35 1dv9A13 ILE 71 HG13 -0.01 -0.07 -0.41 -0.04 1.21 0.68 1dv9A13 ILE 71 HG23 -0.02 0.00 -0.15 -0.04 0.93 0.72 1dv9A13 ILE 71 HD13 -0.01 -0.00 -0.06 -0.04 0.88 0.77 1dv9A13 ILE 72 H -0.02 0.19 0.08 -0.55 8.25 7.95 1dv9A13 ILE 72 HA -0.05 0.35 0.91 -0.75 4.18 4.64 1dv9A13 ILE 72 HB -0.01 -0.01 0.22 -0.04 1.89 2.05 1dv9A13 ILE 72 HG12 -0.02 0.01 -0.05 -0.04 1.49 1.39 1dv9A13 ILE 72 HG13 -0.02 -0.04 -0.22 -0.04 1.21 0.88 1dv9A13 ILE 72 HG23 -0.02 0.03 -0.06 -0.04 0.93 0.84 1dv9A13 ILE 72 HD13 -0.01 0.01 0.00 -0.04 0.88 0.84 1dv9A13 ALA 73 H -0.10 0.42 0.17 -0.55 8.40 8.34 1dv9A13 ALA 73 HA -0.02 0.12 0.42 -0.75 4.34 4.12 1dv9A13 ALA 73 HB3 -0.19 -0.01 -0.00 -0.04 1.41 1.16 1dv9A13 GLU 74 H 0.08 0.45 0.35 -0.55 8.60 8.93 1dv9A13 GLU 74 HA 0.06 0.07 0.98 -0.75 4.29 4.65 1dv9A13 GLU 74 HB2 0.04 0.06 0.10 -0.04 2.09 2.25 1dv9A13 GLU 74 HB3 0.06 0.05 0.10 -0.04 1.99 2.16 1dv9A13 GLU 74 HG2 0.04 -0.00 0.06 -0.04 2.34 2.40 1dv9A13 GLU 74 HG3 0.03 -0.02 0.07 -0.04 2.34 2.38 1dv9A13 LYS 75 H 0.09 0.07 0.05 -0.55 8.42 8.07 1dv9A13 LYS 75 HA 0.19 0.13 0.45 -0.75 4.32 4.33 1dv9A13 LYS 75 HB2 0.05 -0.03 0.16 -0.04 1.87 2.02 1dv9A13 LYS 75 HB3 0.11 0.09 0.01 -0.04 1.79 1.96 1dv9A13 LYS 75 HG2 0.05 -0.07 -0.09 -0.04 1.46 1.31 1dv9A13 LYS 75 HG3 0.03 0.04 -0.08 -0.04 1.46 1.41 1dv9A13 LYS 75 HD2 0.05 -0.02 0.03 -0.04 1.69 1.71 1dv9A13 LYS 75 HD3 0.04 -0.06 -0.02 -0.04 1.68 1.60 1dv9A13 LYS 75 HE2 0.03 -0.02 0.03 -0.04 2.99 2.98 1dv9A13 LYS 75 HE3 0.03 0.24 0.13 -0.04 2.99 3.34 1dv9A13 THR 76 H -0.02 0.23 0.11 -0.55 8.28 8.04 1dv9A13 THR 76 HA -0.00 0.10 0.36 -0.75 4.39 4.09 1dv9A13 THR 76 HB -0.01 0.23 -0.21 -0.04 4.32 4.29 1dv9A13 THR 76 HG23 -0.12 0.04 -0.24 -0.04 1.22 0.86 1dv9A13 LYS 77 H -0.03 0.14 0.11 -0.55 8.42 8.08 1dv9A13 LYS 77 HA -0.02 0.12 0.51 -0.75 4.32 4.17 1dv9A13 LYS 77 HB2 -0.02 -0.01 0.17 -0.04 1.87 1.97 1dv9A13 LYS 77 HB3 -0.03 0.02 0.02 -0.04 1.79 1.77 1dv9A13 LYS 77 HG2 -0.01 0.01 0.02 -0.04 1.46 1.44 1dv9A13 LYS 77 HG3 -0.01 0.03 0.08 -0.04 1.46 1.51 1dv9A13 LYS 77 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 1dv9A13 LYS 77 HD3 -0.01 0.01 0.02 -0.04 1.68 1.66 1dv9A13 LYS 77 HE2 -0.00 0.01 0.01 -0.04 2.99 2.96 1dv9A13 LYS 77 HE3 -0.01 0.01 0.00 -0.04 2.99 2.95 1dv9A13 ILE 78 H -0.06 0.09 -0.02 -0.55 8.25 7.70 1dv9A13 ILE 78 HA -0.06 0.25 0.94 -0.75 4.18 4.55 1dv9A13 ILE 78 HB -0.07 -0.00 0.18 -0.04 1.89 1.96 1dv9A13 ILE 78 HG12 -0.03 -0.08 -0.08 -0.04 1.49 1.25 1dv9A13 ILE 78 HG13 -0.03 0.06 0.00 -0.04 1.21 1.20 1dv9A13 ILE 78 HG23 -0.06 -0.02 0.02 -0.04 0.93 0.83 1dv9A13 ILE 78 HD13 -0.03 0.05 -0.06 -0.04 0.88 0.81 1dv9A13 PRO 79 HA -0.37 0.14 0.31 -0.51 4.44 4.00 1dv9A13 PRO 79 HB2 -0.08 -0.20 0.03 -0.04 2.28 2.00 1dv9A13 PRO 79 HB3 -0.08 0.13 0.10 -0.04 2.02 2.12 1dv9A13 PRO 79 HG2 -0.03 -0.05 0.12 -0.04 2.03 2.04 1dv9A13 PRO 79 HG3 -0.04 0.14 0.09 -0.04 2.03 2.17 1dv9A13 PRO 79 HD2 -0.06 -0.03 0.30 -0.04 3.68 3.85 1dv9A13 PRO 79 HD3 -0.06 0.50 0.14 -0.04 3.65 4.20 1dv9A13 ALA 80 H -0.13 0.00 -0.40 -0.55 8.40 7.32 1dv9A13 ALA 80 HA -0.09 0.03 0.35 -0.75 4.34 3.88 1dv9A13 ALA 80 HB3 -0.05 -0.00 0.07 -0.04 1.41 1.39 1dv9A13 VAL 81 H -0.23 0.57 -0.35 -0.55 8.24 7.68 1dv9A13 VAL 81 HA -0.07 0.24 1.01 -0.75 4.13 4.56 1dv9A13 VAL 81 HB -0.05 -0.08 -0.05 -0.04 2.12 1.89 1dv9A13 VAL 81 HG13 -0.09 -0.01 0.02 -0.04 0.97 0.84 1dv9A13 VAL 81 HG23 -0.00 -0.01 -0.07 -0.04 0.95 0.82 1dv9A13 PHE 82 H 0.10 0.36 0.30 -0.55 8.34 8.54 1dv9A13 PHE 82 HA 0.00 0.28 0.95 -0.75 4.62 5.10 1dv9A13 PHE 82 HB2 -0.00 -0.01 0.06 -0.04 3.15 3.16 1dv9A13 PHE 82 HB3 -0.01 -0.06 -0.01 -0.04 3.06 2.94 1dv9A13 PHE 82 HD2 -0.01 0.11 -0.13 -0.04 7.28 7.20 1dv9A13 PHE 82 HE2 -0.02 -0.05 -0.13 -0.04 7.38 7.15 1dv9A13 PHE 82 HZ -0.01 -0.08 -0.06 -0.04 7.32 7.13 1dv9A13 LYS 83 H 0.21 0.51 0.27 -0.55 8.42 8.85 1dv9A13 LYS 83 HA 0.07 0.28 1.11 -0.75 4.32 5.03 1dv9A13 LYS 83 HB2 0.06 0.09 0.12 -0.04 1.87 2.11 1dv9A13 LYS 83 HB3 0.05 -0.00 0.05 -0.04 1.79 1.84 1dv9A13 LYS 83 HG2 0.04 0.04 0.04 -0.04 1.46 1.54 1dv9A13 LYS 83 HG3 0.03 -0.05 -0.09 -0.04 1.46 1.31 1dv9A13 LYS 83 HD2 0.02 -0.05 -0.02 -0.04 1.69 1.60 1dv9A13 LYS 83 HD3 0.03 0.01 -0.01 -0.04 1.68 1.66 1dv9A13 LYS 83 HE2 0.02 0.07 0.02 -0.04 2.99 3.06 1dv9A13 LYS 83 HE3 0.02 -0.05 -0.01 -0.04 2.99 2.91 1dv9A13 ILE 84 H 0.05 0.84 0.37 -0.55 8.25 8.96 1dv9A13 ILE 84 HA 0.02 0.19 0.79 -0.75 4.18 4.42 1dv9A13 ILE 84 HB 0.01 -0.18 0.04 -0.04 1.89 1.73 1dv9A13 ILE 84 HG12 0.05 0.10 -0.36 -0.04 1.49 1.24 1dv9A13 ILE 84 HG13 0.03 0.18 -0.50 -0.04 1.21 0.88 1dv9A13 ILE 84 HG23 0.01 0.04 -0.33 -0.04 0.93 0.61 1dv9A13 ILE 84 HD13 0.03 -0.04 -0.22 -0.04 0.88 0.61 1dv9A13 ASP 85 H 0.01 0.04 -0.02 -0.55 8.40 7.89 1dv9A13 ASP 85 HA 0.02 0.27 0.44 -0.75 4.63 4.59 1dv9A13 ASP 85 HB2 0.01 0.00 0.12 -0.04 2.71 2.80 1dv9A13 ASP 85 HB3 0.01 0.15 0.29 -0.04 2.70 3.12 1dv9A13 ALA 86 H 0.01 0.08 0.04 -0.55 8.40 7.98 1dv9A13 ALA 86 HA 0.01 0.27 0.93 -0.75 4.34 4.80 1dv9A13 ALA 86 HB3 0.01 0.00 0.05 -0.04 1.41 1.43 1dv9A13 LEU 87 H 0.01 0.03 0.10 -0.55 8.37 7.97 1dv9A13 LEU 87 HA 0.01 0.14 0.42 -0.75 4.35 4.17 1dv9A13 LEU 87 HB2 0.02 -0.10 0.17 -0.04 1.64 1.68 1dv9A13 LEU 87 HB3 0.02 0.06 0.03 -0.04 1.64 1.71 1dv9A13 LEU 87 HG 0.02 -0.07 0.00 -0.04 1.64 1.55 1dv9A13 LEU 87 HD13 0.02 0.05 -0.02 -0.04 0.93 0.94 1dv9A13 LEU 87 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 1dv9A13 ASN 88 H 0.02 0.01 0.04 -0.55 8.53 8.05 1dv9A13 ASN 88 HA 0.01 0.19 0.44 -0.75 4.76 4.65 1dv9A13 ASN 88 HB2 0.01 0.05 0.16 -0.04 2.88 3.06 1dv9A13 ASN 88 HB3 0.01 0.10 -0.21 -0.04 2.79 2.64 1dv9A13 ASN 88 HD21 0.00 0.12 -0.01 -0.04 7.03 7.10 1dv9A13 ASN 88 HD22 0.00 -0.07 -0.15 -0.04 7.74 7.48 1dv9A13 GLU 89 H 0.02 -0.03 0.04 -0.55 8.60 8.09 1dv9A13 GLU 89 HA 0.02 0.24 0.75 -0.75 4.29 4.54 1dv9A13 GLU 89 HB2 0.04 -0.08 -0.13 -0.04 2.09 1.88 1dv9A13 GLU 89 HB3 0.03 0.16 0.01 -0.04 1.99 2.16 1dv9A13 GLU 89 HG2 0.02 -0.31 -0.33 -0.04 2.34 1.68 1dv9A13 GLU 89 HG3 0.03 0.03 -0.15 -0.04 2.34 2.21 1dv9A13 ASN 90 H 0.03 0.52 0.37 -0.55 8.53 8.90 1dv9A13 ASN 90 HA 0.03 0.36 0.78 -0.75 4.76 5.18 1dv9A13 ASN 90 HB2 0.02 0.06 -0.03 -0.04 2.88 2.88 1dv9A13 ASN 90 HB3 0.02 -0.23 0.19 -0.04 2.79 2.72 1dv9A13 ASN 90 HD21 0.02 -0.05 -0.31 -0.04 7.03 6.65 1dv9A13 ASN 90 HD22 0.02 0.00 -0.06 -0.04 7.74 7.67 1dv9A13 LYS 91 H 0.03 0.20 0.22 -0.55 8.42 8.32 1dv9A13 LYS 91 HA 0.05 0.37 0.95 -0.75 4.32 4.94 1dv9A13 LYS 91 HB2 0.02 -0.11 -0.16 -0.04 1.87 1.58 1dv9A13 LYS 91 HB3 0.03 -0.01 -0.12 -0.04 1.79 1.66 1dv9A13 LYS 91 HG2 0.02 -0.02 -0.06 -0.04 1.46 1.35 1dv9A13 LYS 91 HG3 0.03 0.10 0.03 -0.04 1.46 1.58 1dv9A13 LYS 91 HD2 0.02 0.10 -0.10 -0.04 1.69 1.67 1dv9A13 LYS 91 HD3 0.02 -0.13 -0.10 -0.04 1.68 1.43 1dv9A13 LYS 91 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 1dv9A13 LYS 91 HE3 0.01 0.03 -0.06 -0.04 2.99 2.93 1dv9A13 VAL 92 H 0.10 0.51 0.26 -0.55 8.24 8.56 1dv9A13 VAL 92 HA 0.12 0.23 0.94 -0.75 4.13 4.66 1dv9A13 VAL 92 HB 0.23 -0.04 0.08 -0.04 2.12 2.36 1dv9A13 VAL 92 HG13 0.21 0.00 -0.21 -0.04 0.97 0.94 1dv9A13 VAL 92 HG23 0.09 0.04 -0.40 -0.04 0.95 0.65 1dv9A13 LEU 93 H 0.09 0.54 0.22 -0.55 8.37 8.67 1dv9A13 LEU 93 HA 0.05 0.37 1.00 -0.75 4.35 5.02 1dv9A13 LEU 93 HB2 0.04 0.03 0.15 -0.04 1.64 1.82 1dv9A13 LEU 93 HB3 0.03 -0.03 0.01 -0.04 1.64 1.61 1dv9A13 LEU 93 HG 0.02 0.02 -0.04 -0.04 1.64 1.60 1dv9A13 LEU 93 HD13 -0.00 0.04 -0.10 -0.04 0.93 0.82 1dv9A13 LEU 93 HD23 0.03 0.02 -0.22 -0.04 0.89 0.69 1dv9A13 VAL 94 H 0.05 0.42 0.32 -0.55 8.24 8.48 1dv9A13 VAL 94 HA 0.14 0.19 1.13 -0.75 4.13 4.84 1dv9A13 VAL 94 HB 0.04 -0.14 0.18 -0.04 2.12 2.16 1dv9A13 VAL 94 HG13 0.06 -0.02 -0.10 -0.04 0.97 0.87 1dv9A13 VAL 94 HG23 0.15 -0.00 -0.08 -0.04 0.95 0.98 1dv9A13 LEU 95 H 0.08 0.28 0.03 -0.55 8.37 8.21 1dv9A13 LEU 95 HA 0.04 -0.10 0.44 -0.75 4.35 3.98 1dv9A13 LEU 95 HB2 0.05 -0.01 0.02 -0.04 1.64 1.66 1dv9A13 LEU 95 HB3 0.04 0.07 0.00 -0.04 1.64 1.71 1dv9A13 LEU 95 HG 0.01 0.06 -0.08 -0.04 1.64 1.59 1dv9A13 LEU 95 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.86 1dv9A13 LEU 95 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.77 1dv9A13 ASP 96 H 0.07 0.17 0.15 -0.55 8.40 8.24 1dv9A13 ASP 96 HA 0.02 0.16 0.53 -0.75 4.63 4.59 1dv9A13 ASP 96 HB2 0.05 -0.05 -0.37 -0.04 2.71 2.31 1dv9A13 ASP 96 HB3 0.11 -0.03 -0.16 -0.04 2.70 2.58 1dv9A13 THR 97 H -0.02 0.34 0.19 -0.55 8.28 8.24 1dv9A13 THR 97 HA 0.17 0.15 0.77 -0.75 4.39 4.71 1dv9A13 THR 97 HB -0.01 -0.08 0.08 -0.04 4.32 4.27 1dv9A13 THR 97 HG23 -0.15 0.02 -0.06 -0.04 1.22 0.99 1dv9A13 ASP 98 H -0.19 0.77 0.30 -0.55 8.40 8.72 1dv9A13 ASP 98 HA -0.16 0.27 0.84 -0.75 4.63 4.82 1dv9A13 ASP 98 HB2 -0.90 -0.15 0.09 -0.04 2.71 1.71 1dv9A13 ASP 98 HB3 -0.26 0.04 0.12 -0.04 2.70 2.57 1dv9A13 TYR 99 H -0.10 0.11 -0.33 -0.55 8.29 7.43 1dv9A13 TYR 99 HA 0.13 0.05 0.24 -0.75 4.56 4.23 1dv9A13 TYR 99 HB2 0.01 0.12 -0.27 -0.04 3.06 2.88 1dv9A13 TYR 99 HB3 0.04 0.09 0.05 -0.04 2.98 3.12 1dv9A13 TYR 99 HD2 0.05 0.02 -0.09 -0.04 7.15 7.09 1dv9A13 TYR 99 HE2 0.04 0.01 -0.03 -0.04 6.85 6.83 1dv9A13 LYS 100 H 0.18 0.38 0.38 -0.55 8.42 8.80 1dv9A13 LYS 100 HA 0.03 0.23 0.72 -0.75 4.32 4.55 1dv9A13 LYS 100 HB2 -0.01 -0.01 0.22 -0.04 1.87 2.03 1dv9A13 LYS 100 HB3 0.01 0.05 0.08 -0.04 1.79 1.89 1dv9A13 LYS 100 HG2 0.05 -0.02 0.12 -0.04 1.46 1.57 1dv9A13 LYS 100 HG3 0.04 0.06 0.13 -0.04 1.46 1.64 1dv9A13 LYS 100 HD2 0.00 -0.03 0.09 -0.04 1.69 1.71 1dv9A13 LYS 100 HD3 -0.01 0.02 0.07 -0.04 1.68 1.72 1dv9A13 LYS 100 HE2 -0.00 -0.01 0.04 -0.04 2.99 2.98 1dv9A13 LYS 100 HE3 0.02 0.00 0.04 -0.04 2.99 3.01 1dv9A13 LYS 101 H 0.17 0.20 -0.73 -0.55 8.42 7.50 1dv9A13 LYS 101 HA 0.04 0.12 0.61 -0.75 4.32 4.33 1dv9A13 LYS 101 HB2 -0.17 0.12 -0.27 -0.04 1.87 1.51 1dv9A13 LYS 101 HB3 -0.62 -0.07 -0.03 -0.04 1.79 1.03 1dv9A13 LYS 101 HG2 -0.07 -0.05 -0.01 -0.04 1.46 1.29 1dv9A13 LYS 101 HG3 0.04 -0.09 0.09 -0.04 1.46 1.46 1dv9A13 LYS 101 HD2 -0.02 0.14 -0.09 -0.04 1.69 1.68 1dv9A13 LYS 101 HD3 -0.00 -0.07 0.03 -0.04 1.68 1.60 1dv9A13 LYS 101 HE2 0.01 0.03 0.27 -0.04 2.99 3.26 1dv9A13 LYS 101 HE3 0.00 0.01 0.13 -0.04 2.99 3.09 1dv9A13 TYR 102 H -0.10 0.09 0.09 -0.55 8.29 7.82 1dv9A13 TYR 102 HA 0.55 0.24 0.64 -0.75 4.56 5.24 1dv9A13 TYR 102 HB2 0.12 0.09 0.15 -0.04 3.06 3.38 1dv9A13 TYR 102 HB3 0.19 0.07 0.07 -0.04 2.98 3.27 1dv9A13 TYR 102 HD2 0.09 0.05 -0.38 -0.04 7.15 6.86 1dv9A13 TYR 102 HE2 0.06 -0.00 -0.27 -0.04 6.85 6.59 1dv9A13 LEU 103 H 0.12 0.68 0.43 -0.55 8.37 9.05 1dv9A13 LEU 103 HA 0.13 0.12 0.90 -0.75 4.35 4.75 1dv9A13 LEU 103 HB2 -0.13 0.02 0.03 -0.04 1.64 1.51 1dv9A13 LEU 103 HB3 -0.20 0.02 -0.18 -0.04 1.64 1.24 1dv9A13 LEU 103 HG -0.92 0.07 -0.14 -0.04 1.64 0.61 1dv9A13 LEU 103 HD13 -1.29 -0.03 0.03 -0.04 0.93 -0.41 1dv9A13 LEU 103 HD23 -0.28 -0.01 -0.31 -0.04 0.89 0.25 1dv9A13 LEU 104 H 0.10 0.37 0.27 -0.55 8.37 8.55 1dv9A13 LEU 104 HA 0.17 0.34 1.21 -0.75 4.35 5.31 1dv9A13 LEU 104 HB2 0.09 -0.24 0.12 -0.04 1.64 1.57 1dv9A13 LEU 104 HB3 0.10 0.09 0.08 -0.04 1.64 1.86 1dv9A13 LEU 104 HG 0.13 0.18 -0.04 -0.04 1.64 1.87 1dv9A13 LEU 104 HD13 0.08 -0.03 -0.09 -0.04 0.93 0.84 1dv9A13 LEU 104 HD23 0.11 0.02 -0.09 -0.04 0.89 0.88 1dv9A13 PHE 105 H -0.10 0.56 0.40 -0.55 8.34 8.64 1dv9A13 PHE 105 HA 0.01 0.11 1.11 -0.75 4.62 5.10 1dv9A13 PHE 105 HB2 0.00 0.04 -0.07 -0.04 3.15 3.09 1dv9A13 PHE 105 HB3 -0.03 0.02 -0.16 -0.04 3.06 2.84 1dv9A13 PHE 105 HD2 -0.06 -0.08 -0.14 -0.04 7.28 6.96 1dv9A13 PHE 105 HE2 -0.10 0.01 -0.13 -0.04 7.38 7.12 1dv9A13 PHE 105 HZ -0.10 0.04 -0.09 -0.04 7.32 7.13 1dv9A13 CYS 106 H 0.10 0.88 0.36 -0.55 8.50 9.29 1dv9A13 CYS 106 HA -0.09 0.28 1.28 -0.75 4.58 5.29 1dv9A13 CYS 106 HB2 0.02 -0.08 0.18 -0.04 2.97 3.05 1dv9A13 CYS 106 HB3 -0.00 0.01 0.02 -0.04 2.97 2.96 1dv9A13 MET 107 H -0.05 0.45 0.36 -0.55 8.47 8.68 1dv9A13 MET 107 HA 0.08 0.12 0.89 -0.75 4.52 4.86 1dv9A13 MET 107 HB2 0.03 0.04 0.13 -0.04 2.15 2.30 1dv9A13 MET 107 HB3 0.08 -0.05 0.03 -0.04 2.03 2.05 1dv9A13 MET 107 HG2 0.29 -0.05 -0.10 -0.04 2.63 2.74 1dv9A13 MET 107 HG3 0.04 0.05 0.01 -0.04 2.56 2.62 1dv9A13 MET 107 HE3 0.13 -0.01 -0.10 -0.04 2.10 2.07 1dv9A13 GLU 108 H 0.04 0.76 0.43 -0.55 8.60 9.28 1dv9A13 GLU 108 HA 0.01 0.31 0.34 -0.75 4.29 4.20 1dv9A13 GLU 108 HB2 0.00 -0.15 0.03 -0.04 2.09 1.93 1dv9A13 GLU 108 HB3 0.01 0.02 -0.29 -0.04 1.99 1.68 1dv9A13 GLU 108 HG2 0.02 -0.00 -0.17 -0.04 2.34 2.15 1dv9A13 GLU 108 HG3 0.01 0.05 -0.05 -0.04 2.34 2.31 1dv9A13 ASN 109 H 0.01 0.16 0.03 -0.55 8.53 8.18 1dv9A13 ASN 109 HA 0.01 -0.01 0.99 -0.75 4.76 5.00 1dv9A13 ASN 109 HB2 0.00 0.13 0.03 -0.04 2.88 3.00 1dv9A13 ASN 109 HB3 0.00 0.04 -0.11 -0.04 2.79 2.67 1dv9A13 ASN 109 HD21 0.00 0.13 -0.05 -0.04 7.03 7.07 1dv9A13 ASN 109 HD22 0.00 -0.01 -0.06 -0.04 7.74 7.63 1dv9A13 SER 110 H 0.01 0.18 0.10 -0.55 8.46 8.20 1dv9A13 SER 110 HA 0.01 -0.00 0.34 -0.75 4.49 4.08 1dv9A13 SER 110 HB2 0.01 0.06 0.16 -0.04 3.95 4.13 1dv9A13 SER 110 HB3 0.01 0.04 0.06 -0.04 3.93 3.99 1dv9A13 ALA 111 H 0.00 0.13 0.33 -0.55 8.40 8.32 1dv9A13 ALA 111 HA -0.00 -0.02 0.35 -0.75 4.34 3.92 1dv9A13 ALA 111 HB3 -0.00 -0.00 0.04 -0.04 1.41 1.40 1dv9A13 GLU 112 H -0.00 0.29 -0.28 -0.55 8.60 8.06 1dv9A13 GLU 112 HA -0.01 0.10 0.49 -0.75 4.29 4.13 1dv9A13 GLU 112 HB2 -0.00 0.24 -0.17 -0.04 2.09 2.11 1dv9A13 GLU 112 HB3 -0.00 -0.10 -0.24 -0.04 1.99 1.61 1dv9A13 GLU 112 HG2 -0.01 -0.07 -0.23 -0.04 2.34 2.00 1dv9A13 GLU 112 HG3 -0.01 -0.01 0.00 -0.04 2.34 2.29 1dv9A13 PRO 113 HA -0.01 -0.03 0.49 -0.51 4.44 4.38 1dv9A13 PRO 113 HB2 -0.01 0.02 0.06 -0.04 2.28 2.30 1dv9A13 PRO 113 HB3 -0.01 0.05 0.14 -0.04 2.02 2.16 1dv9A13 PRO 113 HG2 -0.01 0.05 0.04 -0.04 2.03 2.07 1dv9A13 PRO 113 HG3 -0.01 0.10 0.05 -0.04 2.03 2.14 1dv9A13 PRO 113 HD2 -0.01 0.19 0.12 -0.04 3.68 3.94 1dv9A13 PRO 113 HD3 -0.01 0.13 0.03 -0.04 3.65 3.76 1dv9A13 GLU 114 H -0.01 0.12 -0.33 -0.55 8.60 7.84 1dv9A13 GLU 114 HA -0.02 -0.01 0.34 -0.75 4.29 3.84 1dv9A13 GLU 114 HB2 -0.01 0.07 0.10 -0.04 2.09 2.21 1dv9A13 GLU 114 HB3 -0.02 0.03 0.04 -0.04 1.99 2.01 1dv9A13 GLU 114 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 1dv9A13 GLU 114 HG3 -0.01 0.00 0.03 -0.04 2.34 2.32 1dv9A13 GLN 115 H -0.03 0.11 0.40 -0.55 8.47 8.40 1dv9A13 GLN 115 HA -0.03 -0.09 0.38 -0.75 4.36 3.87 1dv9A13 GLN 115 HB2 -0.02 -0.08 -0.37 -0.04 2.15 1.64 1dv9A13 GLN 115 HB3 -0.01 0.14 0.39 -0.04 2.02 2.50 1dv9A13 GLN 115 HG2 -0.01 0.04 0.07 -0.04 2.40 2.45 1dv9A13 GLN 115 HG3 -0.02 -0.10 0.06 -0.04 2.39 2.28 1dv9A13 GLN 115 HE21 -0.02 -0.05 -0.01 -0.04 6.97 6.85 1dv9A13 GLN 115 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.63 1dv9A13 SER 116 H -0.02 0.09 0.19 -0.55 8.46 8.17 1dv9A13 SER 116 HA -0.00 0.14 0.44 -0.75 4.49 4.31 1dv9A13 SER 116 HB2 -0.00 0.12 -0.31 -0.04 3.95 3.72 1dv9A13 SER 116 HB3 0.00 -0.38 -0.04 -0.04 3.93 3.48 1dv9A13 LEU 117 H -0.01 0.25 0.35 -0.55 8.37 8.41 1dv9A13 LEU 117 HA -0.01 0.07 0.53 -0.75 4.35 4.18 1dv9A13 LEU 117 HB2 -0.01 -0.06 0.25 -0.04 1.64 1.78 1dv9A13 LEU 117 HB3 -0.01 -0.06 0.30 -0.04 1.64 1.83 1dv9A13 LEU 117 HG -0.01 -0.02 -0.20 -0.04 1.64 1.37 1dv9A13 LEU 117 HD13 -0.01 0.01 -0.00 -0.04 0.93 0.88 1dv9A13 LEU 117 HD23 -0.00 0.02 0.04 -0.04 0.89 0.90 1dv9A13 VAL 118 H -0.02 0.36 0.36 -0.55 8.24 8.39 1dv9A13 VAL 118 HA -0.03 -0.04 0.81 -0.75 4.13 4.11 1dv9A13 VAL 118 HB -0.02 -0.03 -0.08 -0.04 2.12 1.95 1dv9A13 VAL 118 HG13 -0.02 0.07 0.09 -0.04 0.97 1.06 1dv9A13 VAL 118 HG23 -0.04 0.01 -0.09 -0.04 0.95 0.79 1dv9A13 CYS 119 H -0.05 0.74 0.47 -0.55 8.50 9.11 1dv9A13 CYS 119 HA -0.23 0.29 1.26 -0.75 4.58 5.15 1dv9A13 CYS 119 HB2 -0.06 0.01 0.05 -0.04 2.97 2.93 1dv9A13 CYS 119 HB3 -0.08 -0.03 0.01 -0.04 2.97 2.83 1dv9A13 GLN 120 H -0.57 0.51 0.44 -0.55 8.47 8.30 1dv9A13 GLN 120 HA 0.02 0.07 0.87 -0.75 4.36 4.57 1dv9A13 GLN 120 HB2 -0.19 0.15 0.17 -0.04 2.15 2.24 1dv9A13 GLN 120 HB3 -0.15 -0.03 0.15 -0.04 2.02 1.95 1dv9A13 GLN 120 HG2 -1.92 -0.04 0.14 -0.04 2.40 0.54 1dv9A13 GLN 120 HG3 -0.26 0.05 -0.02 -0.04 2.39 2.11 1dv9A13 GLN 120 HE21 -0.11 0.05 -0.09 -0.04 6.97 6.79 1dv9A13 GLN 120 HE22 -0.10 -0.00 -0.16 -0.04 7.69 7.39 1dv9A13 CYS 121 H -0.24 0.38 0.27 -0.55 8.50 8.37 1dv9A13 CYS 121 HA 0.02 0.22 1.15 -0.75 4.58 5.21 1dv9A13 CYS 121 HB2 -0.08 -0.00 0.03 -0.04 2.97 2.88 1dv9A13 CYS 121 HB3 -0.73 -0.05 0.16 -0.04 2.97 2.31 1dv9A13 LEU 122 H 0.03 0.77 0.46 -0.55 8.37 9.09 1dv9A13 LEU 122 HA 0.08 0.21 1.17 -0.75 4.35 5.05 1dv9A13 LEU 122 HB2 -0.22 0.01 0.09 -0.04 1.64 1.49 1dv9A13 LEU 122 HB3 -0.27 0.01 -0.09 -0.04 1.64 1.25 1dv9A13 LEU 122 HG 0.11 -0.01 -0.25 -0.04 1.64 1.45 1dv9A13 LEU 122 HD13 -0.26 -0.01 -0.18 -0.04 0.93 0.43 1dv9A13 LEU 122 HD23 0.09 -0.00 -0.46 -0.04 0.89 0.47 1dv9A13 VAL 123 H 0.28 0.65 0.30 -0.55 8.24 8.92 1dv9A13 VAL 123 HA 0.54 0.10 1.08 -0.75 4.13 5.09 1dv9A13 VAL 123 HB 0.21 0.15 -0.01 -0.04 2.12 2.43 1dv9A13 VAL 123 HG13 0.19 0.03 0.04 -0.04 0.97 1.19 1dv9A13 VAL 123 HG23 0.12 -0.05 -0.12 -0.04 0.95 0.86 1dv9A13 ARG 124 H 0.42 0.39 0.16 -0.55 8.46 8.87 1dv9A13 ARG 124 HA -0.51 0.19 0.47 -0.75 4.34 3.73 1dv9A13 ARG 124 HB2 -0.35 -0.09 -0.09 -0.04 1.90 1.33 1dv9A13 ARG 124 HB3 -0.20 -0.03 -0.11 -0.04 1.80 1.42 1dv9A13 ARG 124 HG2 -0.75 0.14 0.05 -0.04 1.67 1.07 1dv9A13 ARG 124 HG3 -1.91 0.05 -0.05 -0.04 1.67 -0.28 1dv9A13 ARG 124 HD2 -0.35 0.05 -0.03 -0.04 3.22 2.85 1dv9A13 ARG 124 HD3 -0.23 -0.06 -0.13 -0.04 3.22 2.76 1dv9A13 THR 125 H 0.09 -0.01 -0.08 -0.55 8.28 7.73 1dv9A13 THR 125 HA -0.03 0.18 0.44 -0.75 4.39 4.23 1dv9A13 THR 125 HB -0.01 -0.05 -0.14 -0.04 4.32 4.08 1dv9A13 THR 125 HG23 -0.01 0.02 -0.01 -0.04 1.22 1.19 1dv9A13 PRO 126 HA -1.08 0.14 0.26 -0.51 4.44 3.26 1dv9A13 PRO 126 HB2 -0.39 -0.01 0.21 -0.04 2.28 2.06 1dv9A13 PRO 126 HB3 -1.05 0.10 0.08 -0.04 2.02 1.11 1dv9A13 PRO 126 HG2 -0.17 -0.03 0.08 -0.04 2.03 1.86 1dv9A13 PRO 126 HG3 -0.16 0.05 0.09 -0.04 2.03 1.97 1dv9A13 PRO 126 HD2 -0.10 -0.01 0.15 -0.04 3.68 3.67 1dv9A13 PRO 126 HD3 -0.09 0.31 0.22 -0.04 3.65 4.05 1dv9A13 GLU 127 H -0.12 0.70 0.02 -0.55 8.60 8.66 1dv9A13 GLU 127 HA -0.06 -0.01 0.40 -0.75 4.29 3.86 1dv9A13 GLU 127 HB2 -0.02 -0.02 0.09 -0.04 2.09 2.09 1dv9A13 GLU 127 HB3 -0.06 0.13 0.22 -0.04 1.99 2.24 1dv9A13 GLU 127 HG2 -0.06 -0.05 -0.54 -0.04 2.34 1.66 1dv9A13 GLU 127 HG3 -0.03 0.03 -0.08 -0.04 2.34 2.22 1dv9A13 VAL 128 H -0.00 0.24 0.08 -0.55 8.24 8.00 1dv9A13 VAL 128 HA 0.04 0.06 0.39 -0.75 4.13 3.87 1dv9A13 VAL 128 HB 0.03 0.39 0.20 -0.04 2.12 2.69 1dv9A13 VAL 128 HG13 0.01 -0.02 -0.19 -0.04 0.97 0.73 1dv9A13 VAL 128 HG23 0.03 -0.03 -0.05 -0.04 0.95 0.85 1dv9A13 ASP 129 H 0.05 0.23 0.11 -0.55 8.40 8.25 1dv9A13 ASP 129 HA 0.05 0.22 0.88 -0.75 4.63 5.03 1dv9A13 ASP 129 HB2 0.10 0.11 -0.11 -0.04 2.71 2.76 1dv9A13 ASP 129 HB3 0.14 -0.22 0.16 -0.04 2.70 2.73 1dv9A13 ASP 130 H 0.04 0.29 0.12 -0.55 8.40 8.31 1dv9A13 ASP 130 HA 0.03 0.08 0.34 -0.75 4.63 4.33 1dv9A13 ASP 130 HB2 0.03 0.06 0.11 -0.04 2.71 2.87 1dv9A13 ASP 130 HB3 0.03 0.06 0.14 -0.04 2.70 2.89 1dv9A13 GLU 131 H 0.08 -0.01 -0.76 -0.55 8.60 7.36 1dv9A13 GLU 131 HA 0.08 0.14 0.54 -0.75 4.29 4.30 1dv9A13 GLU 131 HB2 0.24 0.06 -0.01 -0.04 2.09 2.34 1dv9A13 GLU 131 HB3 0.13 0.04 0.03 -0.04 1.99 2.15 1dv9A13 GLU 131 HG2 0.18 -0.12 0.03 -0.04 2.34 2.39 1dv9A13 GLU 131 HG3 0.46 0.05 -0.08 -0.04 2.34 2.73 1dv9A13 ALA 132 H 0.09 0.18 0.05 -0.55 8.40 8.17 1dv9A13 ALA 132 HA -0.78 0.06 0.33 -0.75 4.34 3.20 1dv9A13 ALA 132 HB3 -0.04 0.01 0.04 -0.04 1.41 1.38 1dv9A13 LEU 133 H -0.01 0.25 -0.52 -0.55 8.37 7.55 1dv9A13 LEU 133 HA 0.04 0.11 0.45 -0.75 4.35 4.19 1dv9A13 LEU 133 HB2 0.02 -0.02 -0.02 -0.04 1.64 1.58 1dv9A13 LEU 133 HB3 0.03 0.07 -0.02 -0.04 1.64 1.68 1dv9A13 LEU 133 HG 0.06 0.02 -0.07 -0.04 1.64 1.61 1dv9A13 LEU 133 HD13 0.01 -0.00 -0.06 -0.04 0.93 0.84 1dv9A13 LEU 133 HD23 0.03 0.00 -0.06 -0.04 0.89 0.82 1dv9A13 GLU 134 H 0.02 0.42 -0.04 -0.55 8.60 8.45 1dv9A13 GLU 134 HA 0.03 0.05 0.35 -0.75 4.29 3.96 1dv9A13 GLU 134 HB2 0.03 0.03 0.16 -0.04 2.09 2.26 1dv9A13 GLU 134 HB3 0.03 0.06 0.20 -0.04 1.99 2.23 1dv9A13 GLU 134 HG2 0.02 0.00 -0.20 -0.04 2.34 2.12 1dv9A13 GLU 134 HG3 0.02 -0.02 -0.02 -0.04 2.34 2.28 1dv9A13 LYS 135 H -0.02 0.44 -0.24 -0.55 8.42 8.04 1dv9A13 LYS 135 HA -0.00 0.06 0.35 -0.75 4.32 3.98 1dv9A13 LYS 135 HB2 -0.18 0.12 0.04 -0.04 1.87 1.81 1dv9A13 LYS 135 HB3 -0.08 -0.00 -0.16 -0.04 1.79 1.51 1dv9A13 LYS 135 HG2 0.08 -0.00 -0.10 -0.04 1.46 1.39 1dv9A13 LYS 135 HG3 0.03 -0.00 -0.03 -0.04 1.46 1.42 1dv9A13 LYS 135 HD2 0.10 0.00 -0.11 -0.04 1.69 1.64 1dv9A13 LYS 135 HD3 0.17 -0.00 -0.07 -0.04 1.68 1.73 1dv9A13 LYS 135 HE2 0.03 -0.13 -0.06 -0.04 2.99 2.80 1dv9A13 LYS 135 HE3 0.07 0.12 0.09 -0.04 2.99 3.22 1dv9A13 PHE 136 H 0.07 0.37 -0.33 -0.55 8.34 7.90 1dv9A13 PHE 136 HA -0.07 -0.03 0.31 -0.75 4.62 4.07 1dv9A13 PHE 136 HB2 -0.09 0.17 0.18 -0.04 3.15 3.36 1dv9A13 PHE 136 HB3 -0.05 0.13 0.10 -0.04 3.06 3.21 1dv9A13 PHE 136 HD2 -0.04 0.01 -0.08 -0.04 7.28 7.13 1dv9A13 PHE 136 HE2 -0.03 0.01 -0.16 -0.04 7.38 7.16 1dv9A13 PHE 136 HZ -0.02 0.01 -0.15 -0.04 7.32 7.12 1dv9A13 ASP 137 H 0.05 0.43 -0.51 -0.55 8.40 7.83 1dv9A13 ASP 137 HA -0.12 0.07 0.53 -0.75 4.63 4.35 1dv9A13 ASP 137 HB2 0.03 0.11 0.10 -0.04 2.71 2.90 1dv9A13 ASP 137 HB3 -0.01 0.01 -0.05 -0.04 2.70 2.61 1dv9A13 LYS 138 H -0.03 0.38 -0.12 -0.55 8.42 8.10 1dv9A13 LYS 138 HA -0.03 0.09 0.54 -0.75 4.32 4.15 1dv9A13 LYS 138 HB2 -0.01 0.05 0.17 -0.04 1.87 2.04 1dv9A13 LYS 138 HB3 -0.01 -0.02 -0.03 -0.04 1.79 1.68 1dv9A13 LYS 138 HG2 -0.01 0.00 0.02 -0.04 1.46 1.43 1dv9A13 LYS 138 HG3 -0.00 0.02 -0.03 -0.04 1.46 1.41 1dv9A13 LYS 138 HD2 0.00 -0.03 -0.04 -0.04 1.69 1.58 1dv9A13 LYS 138 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.59 1dv9A13 LYS 138 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.96 1dv9A13 LYS 138 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.91 1dv9A13 ALA 139 H -0.09 0.41 -0.29 -0.55 8.40 7.88 1dv9A13 ALA 139 HA -0.04 0.13 0.58 -0.75 4.34 4.25 1dv9A13 ALA 139 HB3 -0.07 -0.01 -0.04 -0.04 1.41 1.25 1dv9A13 LEU 140 H -0.23 0.33 -0.18 -0.55 8.37 7.74 1dv9A13 LEU 140 HA -0.15 0.09 0.58 -0.75 4.35 4.11 1dv9A13 LEU 140 HB2 -0.46 0.21 0.13 -0.04 1.64 1.48 1dv9A13 LEU 140 HB3 -0.22 0.04 -0.09 -0.04 1.64 1.33 1dv9A13 LEU 140 HG -0.20 0.00 -0.11 -0.04 1.64 1.30 1dv9A13 LEU 140 HD13 -0.25 -0.04 -0.21 -0.04 0.93 0.40 1dv9A13 LEU 140 HD23 -0.75 0.01 -0.07 -0.04 0.89 0.03 1dv9A13 LYS 141 H -0.10 0.22 -0.31 -0.55 8.42 7.67 1dv9A13 LYS 141 HA -0.06 0.06 0.37 -0.75 4.32 3.94 1dv9A13 LYS 141 HB2 -0.05 0.13 0.19 -0.04 1.87 2.11 1dv9A13 LYS 141 HB3 -0.03 -0.05 -0.03 -0.04 1.79 1.64 1dv9A13 LYS 141 HG2 -0.04 -0.05 0.07 -0.04 1.46 1.40 1dv9A13 LYS 141 HG3 -0.05 0.05 0.09 -0.04 1.46 1.51 1dv9A13 LYS 141 HD2 -0.02 -0.06 -0.04 -0.04 1.69 1.52 1dv9A13 LYS 141 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 1dv9A13 LYS 141 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 1dv9A13 LYS 141 HE3 -0.01 -0.05 -0.01 -0.04 2.99 2.88 1dv9A13 ALA 142 H -0.04 0.04 -0.80 -0.55 8.40 7.05 1dv9A13 ALA 142 HA 0.00 0.16 0.78 -0.75 4.34 4.53 1dv9A13 ALA 142 HB3 0.04 0.00 -0.04 -0.04 1.41 1.37 1dv9A13 LEU 143 H -0.04 0.12 -0.25 -0.55 8.37 7.65 1dv9A13 LEU 143 HA -0.02 0.18 0.91 -0.75 4.35 4.66 1dv9A13 LEU 143 HB2 -0.04 0.05 0.07 -0.04 1.64 1.68 1dv9A13 LEU 143 HB3 -0.03 0.05 0.02 -0.04 1.64 1.63 1dv9A13 LEU 143 HG -0.00 -0.09 -0.01 -0.04 1.64 1.50 1dv9A13 LEU 143 HD13 -0.03 -0.02 0.08 -0.04 0.93 0.92 1dv9A13 LEU 143 HD23 0.05 0.07 -0.27 -0.04 0.89 0.70 1dv9A13 PRO 144 HA -0.03 0.10 0.46 -0.51 4.44 4.46 1dv9A13 PRO 144 HB2 0.03 -0.03 -0.03 -0.04 2.28 2.21 1dv9A13 PRO 144 HB3 -0.01 0.05 0.07 -0.04 2.02 2.09 1dv9A13 PRO 144 HG2 -0.00 -0.03 0.13 -0.04 2.03 2.08 1dv9A13 PRO 144 HG3 -0.01 0.02 0.09 -0.04 2.03 2.09 1dv9A13 PRO 144 HD2 -0.02 0.04 0.20 -0.04 3.68 3.85 1dv9A13 PRO 144 HD3 -0.03 0.17 0.19 -0.04 3.65 3.93 1dv9A13 MET 145 H -0.05 0.27 0.11 -0.55 8.47 8.25 1dv9A13 MET 145 HA 0.04 -0.00 0.57 -0.75 4.52 4.37 1dv9A13 MET 145 HB2 -0.06 0.15 -0.24 -0.04 2.15 1.95 1dv9A13 MET 145 HB3 -0.04 0.01 -0.22 -0.04 2.03 1.75 1dv9A13 MET 145 HG2 -0.08 -0.02 -0.15 -0.04 2.63 2.34 1dv9A13 MET 145 HG3 -0.01 -0.08 -0.18 -0.04 2.56 2.24 1dv9A13 MET 145 HE3 -0.05 -0.02 -0.06 -0.04 2.10 1.93 1dv9A13 HIS 146 H 0.17 0.11 -0.05 -0.55 8.41 8.09 1dv9A13 HIS 146 HA -0.01 0.13 0.66 -0.75 4.63 4.66 1dv9A13 HIS 146 HB2 -0.01 0.05 0.21 -0.04 3.26 3.48 1dv9A13 HIS 146 HB3 -0.01 -0.09 0.02 -0.04 3.20 3.08 1dv9A13 HIS 146 HD2 -0.01 -0.06 0.06 -0.04 6.97 6.92 1dv9A13 HIS 146 HE1 -0.01 -0.03 0.00 -0.04 7.75 7.66 1dv9A13 ILE 147 H 0.11 0.37 0.12 -0.55 8.25 8.30 1dv9A13 ILE 147 HA 0.04 0.19 0.92 -0.75 4.18 4.58 1dv9A13 ILE 147 HB 0.05 -0.08 -0.01 -0.04 1.89 1.82 1dv9A13 ILE 147 HG12 0.04 0.07 -0.11 -0.04 1.49 1.44 1dv9A13 ILE 147 HG13 0.03 -0.02 -0.05 -0.04 1.21 1.13 1dv9A13 ILE 147 HG23 0.04 0.02 0.01 -0.04 0.93 0.97 1dv9A13 ILE 147 HD13 0.02 0.01 -0.01 -0.04 0.88 0.86 1dv9A13 ARG 148 H 0.03 0.23 0.11 -0.55 8.46 8.27 1dv9A13 ARG 148 HA 0.09 0.19 1.01 -0.75 4.34 4.87 1dv9A13 ARG 148 HB2 0.10 0.02 -0.05 -0.04 1.90 1.93 1dv9A13 ARG 148 HB3 0.02 0.01 -0.20 -0.04 1.80 1.59 1dv9A13 ARG 148 HG2 0.02 -0.03 0.15 -0.04 1.67 1.77 1dv9A13 ARG 148 HG3 0.04 -0.02 0.02 -0.04 1.67 1.68 1dv9A13 ARG 148 HD2 -0.02 0.01 -0.11 -0.04 3.22 3.06 1dv9A13 ARG 148 HD3 -0.01 0.07 -0.06 -0.04 3.22 3.17 1dv9A13 LEU 149 H 0.11 0.69 0.31 -0.55 8.37 8.93 1dv9A13 LEU 149 HA -0.01 0.17 0.99 -0.75 4.35 4.74 1dv9A13 LEU 149 HB2 0.03 0.08 0.13 -0.04 1.64 1.85 1dv9A13 LEU 149 HB3 -0.18 0.10 0.09 -0.04 1.64 1.60 1dv9A13 LEU 149 HG -0.01 -0.04 -0.12 -0.04 1.64 1.43 1dv9A13 LEU 149 HD13 -0.02 0.02 0.01 -0.04 0.93 0.90 1dv9A13 LEU 149 HD23 -0.10 -0.04 0.10 -0.04 0.89 0.80 1dv9A13 SER 150 H -0.16 0.15 0.21 -0.55 8.46 8.12 1dv9A13 SER 150 HA 0.10 0.19 1.12 -0.75 4.49 5.14 1dv9A13 SER 150 HB2 0.02 -0.02 -0.06 -0.04 3.95 3.86 1dv9A13 SER 150 HB3 -0.04 -0.04 0.04 -0.04 3.93 3.85 1dv9A13 PHE 151 H 0.15 0.43 0.38 -0.55 8.34 8.75 1dv9A13 PHE 151 HA 0.04 0.04 0.71 -0.75 4.62 4.65 1dv9A13 PHE 151 HB2 0.02 -0.00 -0.07 -0.04 3.15 3.06 1dv9A13 PHE 151 HB3 0.07 0.02 0.04 -0.04 3.06 3.15 1dv9A13 PHE 151 HD2 0.09 -0.04 -0.56 -0.04 7.28 6.73 1dv9A13 PHE 151 HE2 0.01 -0.04 -0.24 -0.04 7.38 7.07 1dv9A13 PHE 151 HZ -0.12 -0.02 -0.16 -0.04 7.32 6.97 1dv9A13 ASN 152 H 0.15 0.13 0.22 -0.55 8.53 8.48 1dv9A13 ASN 152 HA 0.06 0.35 0.95 -0.75 4.76 5.37 1dv9A13 ASN 152 HB2 0.03 -0.02 0.02 -0.04 2.88 2.87 1dv9A13 ASN 152 HB3 0.02 -0.13 0.08 -0.04 2.79 2.72 1dv9A13 ASN 152 HD21 0.01 -0.06 0.03 -0.04 7.03 6.97 1dv9A13 ASN 152 HD22 0.01 0.01 0.00 -0.04 7.74 7.72 1dv9A13 PRO 153 HA -0.02 0.18 0.40 -0.51 4.44 4.49 1dv9A13 PRO 153 HB2 -0.03 0.06 0.03 -0.04 2.28 2.30 1dv9A13 PRO 153 HB3 -0.05 0.19 0.17 -0.04 2.02 2.29 1dv9A13 PRO 153 HG2 -0.01 -0.07 0.16 -0.04 2.03 2.07 1dv9A13 PRO 153 HG3 -0.02 0.07 0.12 -0.04 2.03 2.17 1dv9A13 PRO 153 HD2 0.01 0.06 0.26 -0.04 3.68 3.98 1dv9A13 PRO 153 HD3 0.01 0.28 0.18 -0.04 3.65 4.08 1dv9A13 THR 154 H 0.00 0.13 -0.03 -0.55 8.28 7.84 1dv9A13 THR 154 HA -0.02 0.13 0.39 -0.75 4.39 4.13 1dv9A13 THR 154 HB -0.01 0.05 -0.01 -0.04 4.32 4.31 1dv9A13 THR 154 HG23 -0.01 0.01 0.05 -0.04 1.22 1.23 1dv9A13 GLN 155 H 0.03 -0.01 -0.65 -0.55 8.47 7.29 1dv9A13 GLN 155 HA -0.00 0.13 0.68 -0.75 4.36 4.42 1dv9A13 GLN 155 HB2 0.08 -0.15 0.18 -0.04 2.15 2.22 1dv9A13 GLN 155 HB3 0.11 0.09 0.01 -0.04 2.02 2.18 1dv9A13 GLN 155 HG2 0.01 0.05 0.00 -0.04 2.40 2.42 1dv9A13 GLN 155 HG3 0.01 -0.08 -0.05 -0.04 2.39 2.22 1dv9A13 GLN 155 HE21 -0.02 -0.03 -0.03 -0.04 6.97 6.85 1dv9A13 GLN 155 HE22 -0.06 0.03 -0.02 -0.04 7.69 7.60 1dv9A13 LEU 156 H 0.07 0.72 0.19 -0.55 8.37 8.80 1dv9A13 LEU 156 HA 0.08 0.01 0.34 -0.75 4.35 4.03 1dv9A13 LEU 156 HB2 0.03 -0.01 0.15 -0.04 1.64 1.77 1dv9A13 LEU 156 HB3 0.06 0.02 0.01 -0.04 1.64 1.70 1dv9A13 LEU 156 HG 0.21 -0.10 0.05 -0.04 1.64 1.76 1dv9A13 LEU 156 HD13 0.07 -0.04 -0.24 -0.04 0.93 0.68 1dv9A13 LEU 156 HD23 0.14 -0.01 0.07 -0.04 0.89 1.05 1dv9A13 GLU 157 H -0.03 0.17 -0.66 -0.55 8.60 7.53 1dv9A13 GLU 157 HA -0.04 -0.01 0.38 -0.75 4.29 3.86 1dv9A13 GLU 157 HB2 -0.04 0.01 0.09 -0.04 2.09 2.11 1dv9A13 GLU 157 HB3 -0.06 -0.03 0.07 -0.04 1.99 1.93 1dv9A13 GLU 157 HG2 -0.05 0.07 -0.07 -0.04 2.34 2.24 1dv9A13 GLU 157 HG3 -0.04 -0.01 0.08 -0.04 2.34 2.32 1dv9A13 GLU 158 H -0.12 0.13 -0.12 -0.55 8.60 7.95 1dv9A13 GLU 158 HA -0.25 -0.05 0.35 -0.75 4.29 3.58 1dv9A13 GLU 158 HB2 -0.40 0.17 -0.38 -0.04 2.09 1.44 1dv9A13 GLU 158 HB3 -0.34 0.03 -0.02 -0.04 1.99 1.61 1dv9A13 GLU 158 HG2 -0.75 -0.03 -0.05 -0.04 2.34 1.47 1dv9A13 GLU 158 HG3 -0.63 -0.15 0.10 -0.04 2.34 1.62 1dv9A13 GLN 159 H -0.31 0.10 0.07 -0.55 8.47 7.79 1dv9A13 GLN 159 HA -0.05 0.18 0.66 -0.75 4.36 4.40 1dv9A13 GLN 159 HB2 -0.05 -0.03 0.12 -0.04 2.15 2.14 1dv9A13 GLN 159 HB3 -0.04 -0.01 0.26 -0.04 2.02 2.19 1dv9A13 GLN 159 HG2 0.09 -0.00 0.09 -0.04 2.40 2.54 1dv9A13 GLN 159 HG3 0.08 0.04 -0.00 -0.04 2.39 2.47 1dv9A13 GLN 159 HE21 -0.04 0.03 -0.03 -0.04 6.97 6.89 1dv9A13 GLN 159 HE22 -0.02 -0.03 -0.01 -0.04 7.69 7.58 1dv9A13 CYS 160 H -0.05 0.61 -0.13 -0.55 8.50 8.37 1dv9A13 CYS 160 HA -0.02 0.09 0.98 -0.75 4.58 4.88 1dv9A13 CYS 160 HB2 -0.08 0.17 0.05 -0.04 2.97 3.08 1dv9A13 CYS 160 HB3 -0.05 -0.04 -0.05 -0.04 2.97 2.78 1dv9A13 HIS 161 H -0.10 0.23 0.14 -0.55 8.41 8.13 1dv9A13 HIS 161 HA -0.02 0.02 0.45 -0.75 4.63 4.33 1dv9A13 HIS 161 HB2 -0.01 -0.00 0.05 -0.04 3.26 3.26 1dv9A13 HIS 161 HB3 -0.02 0.21 -0.13 -0.04 3.20 3.21 1dv9A13 HIS 161 HD2 -0.02 -0.00 -0.35 -0.04 6.97 6.55 1dv9A13 HIS 161 HE1 0.01 -0.04 -0.05 -0.04 7.75 7.62 1dv9A13 ILE 162 H 0.04 0.11 0.04 -0.55 8.25 7.90 1dv9A13 ILE 162 HA -0.08 0.16 0.39 -0.75 4.18 3.90 1dv9A13 ILE 162 HB -0.01 0.02 0.07 -0.04 1.89 1.94 1dv9A13 ILE 162 HG12 0.02 0.01 0.08 -0.04 1.49 1.57 1dv9A13 ILE 162 HG13 0.04 0.00 0.07 -0.04 1.21 1.27 1dv9A13 ILE 162 HG23 -0.01 0.01 -0.02 -0.04 0.93 0.86 1dv9A13 ILE 162 HD13 0.01 0.01 0.02 -0.04 0.88 0.88