============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 2 1.040 27.320 -19.760 13.506 -99.200 -91.000 TRP6 2 1.020 27.230 -22.126 13.355 -99.200 -91.000 TRP 6 1.040 20.202 -13.323 1.353 -99.200 -91.000 TRP6 6 1.020 21.761 -12.172 0.007 -99.200 -91.000 PHE 15 1.000 5.304 -16.170 -0.268 -99.200 -91.000 TYR 26 0.840 -9.166 -9.559 -3.898 -99.200 -91.000 HIS 30 0.900 -12.711 -8.477 -3.403 -99.200 -91.000 HIS 35 0.900 -10.902 -12.737 -14.175 -99.200 -91.000 TRP 42 1.040 2.673 -21.406 -5.634 -99.200 -91.000 TRP6 42 1.020 3.791 -19.810 -4.300 -99.200 -91.000 PHE 45 1.000 3.896 -13.577 -5.054 -99.200 -91.000 PHE 49 1.000 9.649 -16.018 -4.839 -99.200 -91.000 HIS 53 0.900 22.178 -12.889 -5.802 -99.200 -91.000 TYR 62 0.840 7.701 -9.836 -8.443 -99.200 -91.000 TRP 81 1.040 -1.774 2.411 2.932 -99.200 -91.000 TRP6 81 1.020 0.048 1.557 4.205 -99.200 -91.000 HIS 89 0.900 -4.595 -1.840 4.943 -99.200 -91.000 PHE 91 1.000 -12.060 5.927 4.879 -99.200 -91.000 PHE 99 1.000 -12.723 0.112 -4.099 -99.200 -91.000 TYR 108 0.840 -6.972 -10.552 0.556 -99.200 -91.000 TRP 115 1.040 8.183 -12.703 -2.309 -99.200 -91.000 TRP6 115 1.020 6.640 -11.054 -1.631 -99.200 -91.000 PHE 119 1.000 22.800 -17.378 -10.114 -99.200 -91.000 TYR 126 0.840 10.042 -21.754 3.391 -99.200 -91.000 TRP 132 1.040 15.804 0.122 0.613 -99.200 -91.000 TRP6 132 1.020 14.886 0.518 -1.528 -99.200 -91.000 PHE 144 1.000 3.898 -7.764 -5.002 -99.200 -91.000 TRP 145 1.040 5.242 -4.922 -0.993 -99.200 -91.000 TRP6 145 1.020 2.867 -4.897 -1.095 -99.200 -91.000 PHE 152 1.000 -4.171 1.189 -5.809 -99.200 -91.000 HIS 161 0.900 -10.081 11.557 -1.010 -99.200 -91.000 PHE 172 1.000 6.193 14.216 0.223 -99.200 -91.000 PHE 178 1.000 2.031 10.095 -1.049 -99.200 -91.000 HIS 184 0.900 8.209 12.111 -7.444 -99.200 -91.000 TRP 197 1.040 -8.615 12.737 4.179 -99.200 -91.000 TRP6 197 1.020 -9.869 10.721 3.982 -99.200 -91.000 HIS 200 0.900 -3.442 16.537 14.275 -99.200 -91.000 PHE 229 1.000 -1.678 19.212 -0.417 -99.200 -91.000 TYR 235 0.840 -7.024 19.137 14.609 -99.200 -91.000 PHE 240 1.000 -11.925 9.434 9.009 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1yh3A1 ARG 45 HA 0.02 0.01 0.13 -0.75 4.34 3.75 1yh3A1 ARG 45 HB2 -0.65 -0.18 0.05 -0.04 1.90 1.08 1yh3A1 ARG 45 HB3 -0.76 0.00 0.13 -0.04 1.80 1.13 1yh3A1 ARG 45 HG2 -0.16 0.05 0.04 -0.04 1.67 1.56 1yh3A1 ARG 45 HG3 -0.23 -0.02 0.02 -0.04 1.67 1.40 1yh3A1 ARG 45 HD2 -0.64 0.00 0.03 -0.04 3.22 2.57 1yh3A1 ARG 45 HD3 -0.21 0.04 0.02 -0.04 3.22 3.02 1yh3A1 TRP 46 H -0.64 0.05 0.09 -0.55 7.97 6.93 1yh3A1 TRP 46 HA 0.01 0.22 0.51 -0.75 4.62 4.61 1yh3A1 TRP 46 HB2 0.00 0.03 0.09 -0.04 3.23 3.32 1yh3A1 TRP 46 HB3 0.00 -0.01 0.02 -0.04 3.23 3.21 1yh3A1 TRP 46 HD1 -0.00 0.05 -0.25 -0.04 7.22 6.97 1yh3A1 TRP 46 HE1 -0.01 0.01 -0.04 -0.04 10.20 10.11 1yh3A1 TRP 46 HE3 0.00 0.01 0.02 -0.04 7.59 7.58 1yh3A1 TRP 46 HZ2 -0.01 0.01 -0.00 -0.04 7.44 7.40 1yh3A1 TRP 46 HZ3 0.00 0.02 0.01 -0.04 7.13 7.12 1yh3A1 TRP 46 HH2 -0.00 0.01 0.01 -0.04 7.19 7.16 1yh3A1 ARG 47 H -0.52 -0.07 -0.16 -0.55 8.46 7.16 1yh3A1 ARG 47 HA 0.01 0.22 0.74 -0.75 4.34 4.55 1yh3A1 ARG 47 HB2 -0.61 -0.11 0.07 -0.04 1.90 1.21 1yh3A1 ARG 47 HB3 -0.23 -0.02 0.02 -0.04 1.80 1.52 1yh3A1 ARG 47 HG2 0.06 0.09 -0.02 -0.04 1.67 1.76 1yh3A1 ARG 47 HG3 0.08 -0.05 -0.06 -0.04 1.67 1.60 1yh3A1 ARG 47 HD2 0.03 -0.01 -0.04 -0.04 3.22 3.15 1yh3A1 ARG 47 HD3 -0.08 -0.06 -0.06 -0.04 3.22 2.98 1yh3A1 GLN 48 H -0.23 -0.06 -0.03 -0.55 8.47 7.60 1yh3A1 GLN 48 HA -0.12 -0.09 0.29 -0.75 4.36 3.68 1yh3A1 GLN 48 HB2 -0.02 0.39 0.42 -0.04 2.15 2.91 1yh3A1 GLN 48 HB3 -0.01 0.03 -0.03 -0.04 2.02 1.97 1yh3A1 GLN 48 HG2 -0.02 0.07 -0.34 -0.04 2.40 2.07 1yh3A1 GLN 48 HG3 0.01 0.06 -0.09 -0.04 2.39 2.34 1yh3A1 GLN 48 HE21 -0.02 -0.03 -0.03 -0.04 6.97 6.84 1yh3A1 GLN 48 HE22 -0.00 0.06 -0.07 -0.04 7.69 7.64 1yh3A1 THR 49 H -0.20 0.05 0.06 -0.55 8.28 7.64 1yh3A1 THR 49 HA -0.37 0.08 0.43 -0.75 4.39 3.78 1yh3A1 THR 49 HB -0.79 -0.03 0.06 -0.04 4.32 3.52 1yh3A1 THR 49 HG23 -1.28 -0.00 -0.06 -0.04 1.22 -0.16 1yh3A1 TRP 50 H -0.00 0.04 -0.19 -0.55 7.97 7.27 1yh3A1 TRP 50 HA -0.01 0.19 0.60 -0.75 4.62 4.64 1yh3A1 TRP 50 HB2 -0.03 0.01 -0.41 -0.04 3.23 2.76 1yh3A1 TRP 50 HB3 -0.02 -0.12 -0.40 -0.04 3.23 2.65 1yh3A1 TRP 50 HD1 -0.04 0.17 -0.34 -0.04 7.22 6.96 1yh3A1 TRP 50 HE1 -0.08 0.05 0.02 -0.04 10.20 10.15 1yh3A1 TRP 50 HE3 -0.01 0.00 -0.06 -0.04 7.59 7.49 1yh3A1 TRP 50 HZ2 -0.26 -0.05 0.00 -0.04 7.44 7.10 1yh3A1 TRP 50 HZ3 0.03 0.08 -0.05 -0.04 7.13 7.14 1yh3A1 TRP 50 HH2 0.17 0.00 -0.05 -0.04 7.19 7.27 1yh3A1 SER 51 H 0.26 -0.03 0.10 -0.55 8.46 8.25 1yh3A1 SER 51 HA 0.10 0.32 0.68 -0.75 4.49 4.84 1yh3A1 SER 51 HB2 0.10 -0.17 0.07 -0.04 3.95 3.91 1yh3A1 SER 51 HB3 0.07 0.03 0.15 -0.04 3.93 4.14 1yh3A1 GLY 52 H 0.12 0.21 -0.05 -0.55 8.43 8.16 1yh3A1 GLY 52 HA2 0.04 0.20 0.98 -0.51 4.01 4.72 1yh3A1 GLY 52 HA3 0.02 0.03 0.27 -0.51 4.01 3.82 1yh3A1 PRO 53 HA 0.04 0.09 0.38 -0.51 4.44 4.44 1yh3A1 PRO 53 HB2 0.02 0.17 -0.07 -0.04 2.28 2.36 1yh3A1 PRO 53 HB3 0.03 0.01 0.09 -0.04 2.02 2.10 1yh3A1 PRO 53 HG2 -0.02 -0.00 -0.00 -0.04 2.03 1.96 1yh3A1 PRO 53 HG3 0.00 0.02 0.03 -0.04 2.03 2.04 1yh3A1 PRO 53 HD2 0.01 0.02 0.22 -0.04 3.68 3.89 1yh3A1 PRO 53 HD3 0.02 0.15 0.15 -0.04 3.65 3.94 1yh3A1 GLY 54 H 0.05 0.20 -0.11 -0.55 8.43 8.02 1yh3A1 GLY 54 HA2 0.02 0.02 -0.01 -0.51 4.01 3.53 1yh3A1 GLY 54 HA3 0.06 0.04 -0.41 -0.51 4.01 3.18 1yh3A1 THR 55 H -0.06 0.56 0.22 -0.55 8.28 8.44 1yh3A1 THR 55 HA -0.13 0.08 0.09 -0.75 4.39 3.67 1yh3A1 THR 55 HB -0.39 -0.09 -0.07 -0.04 4.32 3.73 1yh3A1 THR 55 HG23 -0.25 0.06 0.04 -0.04 1.22 1.02 1yh3A1 THR 56 H 0.04 0.35 0.27 -0.55 8.28 8.40 1yh3A1 THR 56 HA 0.12 0.05 0.28 -0.75 4.39 4.08 1yh3A1 THR 56 HB 0.28 -0.03 0.12 -0.04 4.32 4.65 1yh3A1 THR 56 HG23 0.13 0.06 0.02 -0.04 1.22 1.39 1yh3A1 LYS 57 H 0.12 0.09 0.17 -0.55 8.42 8.24 1yh3A1 LYS 57 HA 0.14 0.02 0.40 -0.75 4.32 4.13 1yh3A1 LYS 57 HB2 0.05 0.00 0.15 -0.04 1.87 2.04 1yh3A1 LYS 57 HB3 0.01 -0.01 0.09 -0.04 1.79 1.84 1yh3A1 LYS 57 HG2 0.08 0.04 0.12 -0.04 1.46 1.66 1yh3A1 LYS 57 HG3 0.03 0.01 0.07 -0.04 1.46 1.53 1yh3A1 LYS 57 HD2 -0.07 -0.06 0.08 -0.04 1.69 1.61 1yh3A1 LYS 57 HD3 0.02 0.07 0.04 -0.04 1.68 1.78 1yh3A1 LYS 57 HE2 -0.09 -0.02 0.04 -0.04 2.99 2.88 1yh3A1 LYS 57 HE3 -0.02 0.03 0.03 -0.04 2.99 2.99 1yh3A1 ARG 58 H 0.03 0.10 0.20 -0.55 8.46 8.24 1yh3A1 ARG 58 HA 0.00 -0.04 0.32 -0.75 4.34 3.87 1yh3A1 ARG 58 HB2 0.02 0.27 -0.34 -0.04 1.90 1.81 1yh3A1 ARG 58 HB3 -0.03 -0.08 0.14 -0.04 1.80 1.78 1yh3A1 ARG 58 HG2 -0.04 -0.02 0.02 -0.04 1.67 1.60 1yh3A1 ARG 58 HG3 -0.02 -0.06 -0.12 -0.04 1.67 1.43 1yh3A1 ARG 58 HD2 -0.03 0.01 -0.03 -0.04 3.22 3.13 1yh3A1 ARG 58 HD3 -0.01 0.04 -0.08 -0.04 3.22 3.13 1yh3A1 PHE 59 H 0.38 0.25 -0.15 -0.55 8.34 8.27 1yh3A1 PHE 59 HA -0.03 0.07 0.09 -0.75 4.62 4.00 1yh3A1 PHE 59 HB2 0.12 0.18 0.07 -0.04 3.15 3.49 1yh3A1 PHE 59 HB3 0.15 -0.07 0.10 -0.04 3.06 3.20 1yh3A1 PHE 59 HD2 0.14 -0.01 -0.05 -0.04 7.28 7.32 1yh3A1 PHE 59 HE2 -0.12 0.02 -0.15 -0.04 7.38 7.09 1yh3A1 PHE 59 HZ -2.07 0.02 -0.16 -0.04 7.32 5.07 1yh3A1 PRO 60 HA -1.95 0.07 0.42 -0.51 4.44 2.47 1yh3A1 PRO 60 HB2 -0.35 -0.01 0.04 -0.04 2.28 1.92 1yh3A1 PRO 60 HB3 -0.77 0.06 0.05 -0.04 2.02 1.31 1yh3A1 PRO 60 HG2 0.19 0.05 0.05 -0.04 2.03 2.27 1yh3A1 PRO 60 HG3 0.31 0.07 0.05 -0.04 2.03 2.42 1yh3A1 PRO 60 HD2 0.11 0.01 -0.13 -0.04 3.68 3.63 1yh3A1 PRO 60 HD3 0.44 0.11 0.12 -0.04 3.65 4.28 1yh3A1 GLU 61 H -0.27 0.11 -0.15 -0.55 8.60 7.75 1yh3A1 GLU 61 HA -0.28 0.02 0.49 -0.75 4.29 3.76 1yh3A1 GLU 61 HB2 -0.12 0.10 0.09 -0.04 2.09 2.11 1yh3A1 GLU 61 HB3 -0.13 0.01 0.05 -0.04 1.99 1.89 1yh3A1 GLU 61 HG2 -0.10 0.03 0.03 -0.04 2.34 2.26 1yh3A1 GLU 61 HG3 -0.18 -0.04 0.02 -0.04 2.34 2.09 1yh3A1 THR 62 H -0.22 0.71 -0.06 -0.55 8.28 8.16 1yh3A1 THR 62 HA -0.12 -0.00 0.53 -0.75 4.39 4.05 1yh3A1 THR 62 HB -0.20 0.11 0.05 -0.04 4.32 4.24 1yh3A1 THR 62 HG23 -0.05 0.00 -0.10 -0.04 1.22 1.03 1yh3A1 VAL 63 H -0.58 0.62 -0.03 -0.55 8.24 7.70 1yh3A1 VAL 63 HA -0.22 0.15 0.54 -0.75 4.13 3.84 1yh3A1 VAL 63 HB -0.74 0.01 0.11 -0.04 2.12 1.47 1yh3A1 VAL 63 HG13 -0.04 -0.02 -0.12 -0.04 0.97 0.75 1yh3A1 VAL 63 HG23 -1.12 0.07 -0.01 -0.04 0.95 -0.15 1yh3A1 LEU 64 H -0.43 0.57 -0.11 -0.55 8.37 7.85 1yh3A1 LEU 64 HA -0.06 0.01 0.47 -0.75 4.35 4.01 1yh3A1 LEU 64 HB2 -0.38 0.05 0.14 -0.04 1.64 1.41 1yh3A1 LEU 64 HB3 -0.23 0.08 0.16 -0.04 1.64 1.61 1yh3A1 LEU 64 HG -0.06 -0.02 -0.06 -0.04 1.64 1.46 1yh3A1 LEU 64 HD13 0.03 -0.04 -0.11 -0.04 0.93 0.77 1yh3A1 LEU 64 HD23 -0.10 -0.01 -0.02 -0.04 0.89 0.72 1yh3A1 ALA 65 H -0.13 0.56 -0.16 -0.55 8.40 8.12 1yh3A1 ALA 65 HA -0.02 -0.04 0.33 -0.75 4.34 3.85 1yh3A1 ALA 65 HB3 -0.05 0.02 0.09 -0.04 1.41 1.42 1yh3A1 ARG 66 H -0.02 0.60 -0.13 -0.55 8.46 8.35 1yh3A1 ARG 66 HA 0.23 0.03 0.69 -0.75 4.34 4.52 1yh3A1 ARG 66 HB2 0.04 0.07 0.16 -0.04 1.90 2.13 1yh3A1 ARG 66 HB3 0.28 -0.04 -0.13 -0.04 1.80 1.86 1yh3A1 ARG 66 HG2 0.01 -0.08 0.03 -0.04 1.67 1.59 1yh3A1 ARG 66 HG3 -0.02 0.13 0.11 -0.04 1.67 1.85 1yh3A1 ARG 66 HD2 -0.07 0.05 0.02 -0.04 3.22 3.17 1yh3A1 ARG 66 HD3 -0.17 0.16 -0.03 -0.04 3.22 3.15 1yh3A1 CYS 67 H 0.05 0.54 -0.19 -0.55 8.50 8.35 1yh3A1 CYS 67 HA 0.10 0.04 0.46 -0.75 4.58 4.42 1yh3A1 CYS 67 HB2 0.06 0.08 0.13 -0.04 2.97 3.20 1yh3A1 CYS 67 HB3 0.04 0.04 0.20 -0.04 2.97 3.21 1yh3A1 VAL 68 H 0.03 0.56 0.04 -0.55 8.24 8.32 1yh3A1 VAL 68 HA 0.03 0.03 0.52 -0.75 4.13 3.96 1yh3A1 VAL 68 HB 0.02 0.07 0.12 -0.04 2.12 2.28 1yh3A1 VAL 68 HG13 0.01 -0.00 -0.08 -0.04 0.97 0.85 1yh3A1 VAL 68 HG23 0.01 0.00 0.06 -0.04 0.95 0.98 1yh3A1 LYS 69 H 0.08 0.51 -0.26 -0.55 8.42 8.20 1yh3A1 LYS 69 HA 0.03 -0.00 0.25 -0.75 4.32 3.84 1yh3A1 LYS 69 HB2 0.08 0.00 0.13 -0.04 1.87 2.04 1yh3A1 LYS 69 HB3 0.18 0.08 0.18 -0.04 1.79 2.19 1yh3A1 LYS 69 HG2 0.07 0.01 -0.18 -0.04 1.46 1.33 1yh3A1 LYS 69 HG3 0.03 -0.05 0.07 -0.04 1.46 1.47 1yh3A1 LYS 69 HD2 0.08 -0.02 0.00 -0.04 1.69 1.71 1yh3A1 LYS 69 HD3 0.18 0.01 -0.02 -0.04 1.68 1.81 1yh3A1 LYS 69 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.96 1yh3A1 LYS 69 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 1yh3A1 TYR 70 H 0.16 0.63 -0.12 -0.55 8.29 8.41 1yh3A1 TYR 70 HA -0.14 -0.00 0.33 -0.75 4.56 3.99 1yh3A1 TYR 70 HB2 -0.43 0.07 0.10 -0.04 3.06 2.76 1yh3A1 TYR 70 HB3 -0.08 0.04 0.11 -0.04 2.98 3.01 1yh3A1 TYR 70 HD2 -0.85 0.05 -0.19 -0.04 7.15 6.11 1yh3A1 TYR 70 HE2 -0.25 0.03 -0.17 -0.04 6.85 6.41 1yh3A1 THR 71 H 0.13 0.70 -0.10 -0.55 8.28 8.45 1yh3A1 THR 71 HA 0.13 0.02 0.37 -0.75 4.39 4.16 1yh3A1 THR 71 HB 0.03 0.01 0.08 -0.04 4.32 4.40 1yh3A1 THR 71 HG23 0.06 -0.02 0.02 -0.04 1.22 1.24 1yh3A1 GLU 72 H 0.01 0.30 -0.53 -0.55 8.60 7.83 1yh3A1 GLU 72 HA -0.01 0.07 0.71 -0.75 4.29 4.30 1yh3A1 GLU 72 HB2 -0.02 0.14 0.14 -0.04 2.09 2.31 1yh3A1 GLU 72 HB3 -0.03 -0.09 -0.04 -0.04 1.99 1.79 1yh3A1 GLU 72 HG2 -0.00 -0.06 0.01 -0.04 2.34 2.25 1yh3A1 GLU 72 HG3 0.01 0.17 -0.02 -0.04 2.34 2.46 1yh3A1 ILE 73 H -0.12 0.41 0.04 -0.55 8.25 8.03 1yh3A1 ILE 73 HA -0.18 0.03 0.63 -0.75 4.18 3.91 1yh3A1 ILE 73 HB -0.45 0.11 0.16 -0.04 1.89 1.66 1yh3A1 ILE 73 HG12 -0.15 -0.06 0.04 -0.04 1.49 1.29 1yh3A1 ILE 73 HG13 -0.12 0.20 0.13 -0.04 1.21 1.38 1yh3A1 ILE 73 HG23 -0.64 -0.03 -0.09 -0.04 0.93 0.14 1yh3A1 ILE 73 HD13 -0.13 -0.03 -0.02 -0.04 0.88 0.66 1yh3A1 HIS 74 H -0.13 0.48 -0.11 -0.55 8.41 8.11 1yh3A1 HIS 74 HA -0.10 0.19 0.77 -0.75 4.63 4.73 1yh3A1 HIS 74 HB2 -0.27 0.12 0.18 -0.04 3.26 3.25 1yh3A1 HIS 74 HB3 -0.07 -0.14 0.05 -0.04 3.20 3.00 1yh3A1 HIS 74 HD2 -0.06 -0.02 0.00 -0.04 6.97 6.85 1yh3A1 HIS 74 HE1 -0.64 -0.03 -0.01 -0.04 7.75 7.02 1yh3A1 PRO 75 HA 0.03 0.15 0.22 -0.51 4.44 4.33 1yh3A1 PRO 75 HB2 0.03 -0.00 0.01 -0.04 2.28 2.28 1yh3A1 PRO 75 HB3 0.00 0.07 0.10 -0.04 2.02 2.15 1yh3A1 PRO 75 HG2 0.04 -0.05 0.11 -0.04 2.03 2.08 1yh3A1 PRO 75 HG3 0.01 0.05 0.10 -0.04 2.03 2.15 1yh3A1 PRO 75 HD2 0.00 0.06 0.29 -0.04 3.68 4.00 1yh3A1 PRO 75 HD3 -0.05 0.34 0.24 -0.04 3.65 4.13 1yh3A1 GLU 76 H 0.10 0.13 -0.23 -0.55 8.60 8.04 1yh3A1 GLU 76 HA 0.09 0.10 0.54 -0.75 4.29 4.27 1yh3A1 GLU 76 HB2 0.07 0.01 0.13 -0.04 2.09 2.26 1yh3A1 GLU 76 HB3 0.07 -0.01 0.10 -0.04 1.99 2.11 1yh3A1 GLU 76 HG2 0.14 0.07 -0.30 -0.04 2.34 2.21 1yh3A1 GLU 76 HG3 0.09 0.03 -0.03 -0.04 2.34 2.39 1yh3A1 MET 77 H 0.14 0.41 -0.25 -0.55 8.47 8.23 1yh3A1 MET 77 HA 0.10 0.18 0.85 -0.75 4.52 4.89 1yh3A1 MET 77 HB2 0.20 0.12 0.06 -0.04 2.15 2.49 1yh3A1 MET 77 HB3 0.05 -0.05 0.16 -0.04 2.03 2.14 1yh3A1 MET 77 HG2 0.18 -0.09 -0.14 -0.04 2.63 2.54 1yh3A1 MET 77 HG3 0.26 -0.07 -0.03 -0.04 2.56 2.68 1yh3A1 MET 77 HE3 0.01 -0.01 -0.07 -0.04 2.10 2.00 1yh3A1 ARG 78 H 0.12 0.34 -0.32 -0.55 8.46 8.05 1yh3A1 ARG 78 HA 0.02 0.20 0.51 -0.75 4.34 4.32 1yh3A1 ARG 78 HB2 0.03 -0.03 0.18 -0.04 1.90 2.04 1yh3A1 ARG 78 HB3 0.04 0.03 0.09 -0.04 1.80 1.91 1yh3A1 ARG 78 HG2 0.09 0.23 0.12 -0.04 1.67 2.07 1yh3A1 ARG 78 HG3 0.06 -0.09 -0.10 -0.04 1.67 1.49 1yh3A1 ARG 78 HD2 0.03 -0.09 0.03 -0.04 3.22 3.15 1yh3A1 ARG 78 HD3 0.03 -0.01 0.06 -0.04 3.22 3.25 1yh3A1 HIS 79 H 0.10 0.08 -0.63 -0.55 8.41 7.41 1yh3A1 HIS 79 HA 0.02 0.10 0.59 -0.75 4.63 4.59 1yh3A1 HIS 79 HB2 0.02 -0.06 0.09 -0.04 3.26 3.28 1yh3A1 HIS 79 HB3 0.02 -0.01 0.02 -0.04 3.20 3.19 1yh3A1 HIS 79 HD2 0.02 -0.09 -0.12 -0.04 6.97 6.74 1yh3A1 HIS 79 HE1 0.04 0.09 0.17 -0.04 7.75 8.00 1yh3A1 VAL 80 H -0.25 0.41 -0.24 -0.55 8.24 7.61 1yh3A1 VAL 80 HA -0.18 0.04 0.28 -0.75 4.13 3.51 1yh3A1 VAL 80 HB -0.13 0.12 0.12 -0.04 2.12 2.19 1yh3A1 VAL 80 HG13 -0.05 -0.06 -0.24 -0.04 0.97 0.59 1yh3A1 VAL 80 HG23 -0.40 0.01 0.06 -0.04 0.95 0.58 1yh3A1 ASP 81 H -0.01 0.17 0.16 -0.55 8.40 8.17 1yh3A1 ASP 81 HA 0.01 0.19 0.75 -0.75 4.63 4.83 1yh3A1 ASP 81 HB2 0.02 0.16 0.11 -0.04 2.71 2.96 1yh3A1 ASP 81 HB3 0.02 -0.02 0.23 -0.04 2.70 2.89 1yh3A1 CYS 82 H 0.02 0.31 0.09 -0.55 8.50 8.37 1yh3A1 CYS 82 HA 0.05 0.09 0.21 -0.75 4.58 4.17 1yh3A1 CYS 82 HB2 0.03 0.03 0.12 -0.04 2.97 3.10 1yh3A1 CYS 82 HB3 0.04 0.02 0.06 -0.04 2.97 3.05 1yh3A1 GLN 83 H 0.05 0.15 -0.11 -0.55 8.47 8.01 1yh3A1 GLN 83 HA 0.15 0.08 0.56 -0.75 4.36 4.40 1yh3A1 GLN 83 HB2 0.06 0.03 0.08 -0.04 2.15 2.28 1yh3A1 GLN 83 HB3 0.06 0.02 0.05 -0.04 2.02 2.11 1yh3A1 GLN 83 HG2 0.07 0.04 -0.02 -0.04 2.40 2.45 1yh3A1 GLN 83 HG3 0.09 0.00 -0.12 -0.04 2.39 2.33 1yh3A1 GLN 83 HE21 0.30 0.01 0.00 -0.04 6.97 7.24 1yh3A1 GLN 83 HE22 0.18 0.01 0.01 -0.04 7.69 7.84 1yh3A1 SER 84 H 0.05 0.18 -0.27 -0.55 8.46 7.88 1yh3A1 SER 84 HA 0.03 0.05 0.47 -0.75 4.49 4.28 1yh3A1 SER 84 HB2 0.03 0.22 0.16 -0.04 3.95 4.32 1yh3A1 SER 84 HB3 0.02 0.02 0.03 -0.04 3.93 3.95 1yh3A1 VAL 85 H 0.07 0.36 -0.21 -0.55 8.24 7.91 1yh3A1 VAL 85 HA 0.05 0.05 0.36 -0.75 4.13 3.84 1yh3A1 VAL 85 HB 0.09 0.11 0.13 -0.04 2.12 2.41 1yh3A1 VAL 85 HG13 0.10 -0.00 -0.13 -0.04 0.97 0.89 1yh3A1 VAL 85 HG23 0.02 0.04 -0.11 -0.04 0.95 0.86 1yh3A1 TRP 86 H 0.25 0.52 -0.11 -0.55 7.97 8.08 1yh3A1 TRP 86 HA 0.01 0.03 0.26 -0.75 4.62 4.16 1yh3A1 TRP 86 HB2 -0.06 0.02 0.08 -0.04 3.23 3.23 1yh3A1 TRP 86 HB3 -0.02 0.07 0.16 -0.04 3.23 3.40 1yh3A1 TRP 86 HD1 -0.03 0.02 -0.06 -0.04 7.22 7.12 1yh3A1 TRP 86 HE1 -0.02 0.00 -0.04 -0.04 10.20 10.10 1yh3A1 TRP 86 HE3 -0.24 0.04 0.02 -0.04 7.59 7.37 1yh3A1 TRP 86 HZ2 0.04 -0.00 -0.00 -0.04 7.44 7.44 1yh3A1 TRP 86 HZ3 -0.86 0.06 -0.10 -0.04 7.13 6.19 1yh3A1 TRP 86 HH2 0.27 -0.00 -0.08 -0.04 7.19 7.33 1yh3A1 ASP 87 H 0.03 0.53 -0.19 -0.55 8.40 8.23 1yh3A1 ASP 87 HA -0.47 -0.01 0.45 -0.75 4.63 3.83 1yh3A1 ASP 87 HB2 -0.04 0.11 0.13 -0.04 2.71 2.87 1yh3A1 ASP 87 HB3 -0.10 -0.02 -0.00 -0.04 2.70 2.53 1yh3A1 ALA 88 H -0.05 0.54 -0.27 -0.55 8.40 8.07 1yh3A1 ALA 88 HA -0.07 0.03 0.38 -0.75 4.34 3.92 1yh3A1 ALA 88 HB3 -0.01 -0.00 -0.07 -0.04 1.41 1.28 1yh3A1 PHE 89 H -0.00 0.53 -0.18 -0.55 8.34 8.13 1yh3A1 PHE 89 HA 0.02 0.01 0.37 -0.75 4.62 4.26 1yh3A1 PHE 89 HB2 -0.05 0.12 0.09 -0.04 3.15 3.27 1yh3A1 PHE 89 HB3 -0.31 0.02 0.14 -0.04 3.06 2.87 1yh3A1 PHE 89 HD2 0.02 -0.00 -0.11 -0.04 7.28 7.14 1yh3A1 PHE 89 HE2 -0.86 -0.01 -0.15 -0.04 7.38 6.33 1yh3A1 PHE 89 HZ -2.14 0.00 -0.14 -0.04 7.32 5.00 1yh3A1 LYS 90 H -0.76 0.81 0.06 -0.55 8.42 7.98 1yh3A1 LYS 90 HA -0.75 -0.04 0.38 -0.75 4.32 3.16 1yh3A1 LYS 90 HB2 -2.07 -0.04 0.09 -0.04 1.87 -0.19 1yh3A1 LYS 90 HB3 -0.99 0.10 0.12 -0.04 1.79 0.98 1yh3A1 LYS 90 HG2 -0.47 0.04 -0.19 -0.04 1.46 0.80 1yh3A1 LYS 90 HG3 -0.55 -0.09 0.03 -0.04 1.46 0.81 1yh3A1 LYS 90 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.58 1yh3A1 LYS 90 HD3 -0.07 -0.04 -0.01 -0.04 1.68 1.52 1yh3A1 LYS 90 HE2 -0.30 -0.03 -0.04 -0.04 2.99 2.59 1yh3A1 LYS 90 HE3 -0.36 0.09 -0.03 -0.04 2.99 2.64 1yh3A1 GLY 91 H -0.31 0.58 -0.24 -0.55 8.43 7.92 1yh3A1 GLY 91 HA2 -0.23 -0.02 0.50 -0.51 4.01 3.76 1yh3A1 GLY 91 HA3 -0.17 0.06 0.31 -0.51 4.01 3.70 1yh3A1 ALA 92 H -0.09 0.37 -0.41 -0.55 8.40 7.72 1yh3A1 ALA 92 HA -0.16 0.11 0.54 -0.75 4.34 4.06 1yh3A1 ALA 92 HB3 -0.44 -0.02 -0.03 -0.04 1.41 0.88 1yh3A1 PHE 93 H -0.37 0.26 -0.31 -0.55 8.34 7.37 1yh3A1 PHE 93 HA -0.01 0.20 0.84 -0.75 4.62 4.89 1yh3A1 PHE 93 HB2 0.13 -0.14 0.00 -0.04 3.15 3.10 1yh3A1 PHE 93 HB3 0.16 0.03 -0.27 -0.04 3.06 2.94 1yh3A1 PHE 93 HD2 0.17 -0.03 -0.23 -0.04 7.28 7.15 1yh3A1 PHE 93 HE2 -0.03 -0.01 -0.29 -0.04 7.38 7.01 1yh3A1 PHE 93 HZ 0.19 -0.05 -0.11 -0.04 7.32 7.31 1yh3A1 ILE 94 H -0.68 0.45 0.14 -0.55 8.25 7.61 1yh3A1 ILE 94 HA -0.19 -0.07 0.60 -0.75 4.18 3.77 1yh3A1 ILE 94 HB -0.34 0.12 0.09 -0.04 1.89 1.72 1yh3A1 ILE 94 HG12 -0.99 -0.01 0.06 -0.04 1.49 0.51 1yh3A1 ILE 94 HG13 -0.35 -0.04 -0.01 -0.04 1.21 0.77 1yh3A1 ILE 94 HG23 -0.12 -0.00 -0.09 -0.04 0.93 0.67 1yh3A1 ILE 94 HD13 -0.09 0.02 -0.13 -0.04 0.88 0.64 1yh3A1 SER 95 H -0.02 0.09 0.24 -0.55 8.46 8.22 1yh3A1 SER 95 HA 0.01 0.26 0.33 -0.75 4.49 4.33 1yh3A1 SER 95 HB2 -0.04 0.13 -0.02 -0.04 3.95 3.98 1yh3A1 SER 95 HB3 -0.04 -0.02 0.11 -0.04 3.93 3.93 1yh3A1 LYS 96 H 0.10 0.24 -0.33 -0.55 8.42 7.88 1yh3A1 LYS 96 HA 0.25 0.12 0.75 -0.75 4.32 4.69 1yh3A1 LYS 96 HB2 0.11 0.02 -0.18 -0.04 1.87 1.78 1yh3A1 LYS 96 HB3 0.10 -0.00 -0.07 -0.04 1.79 1.77 1yh3A1 LYS 96 HG2 0.07 -0.02 -0.18 -0.04 1.46 1.28 1yh3A1 LYS 96 HG3 0.02 0.22 -0.60 -0.04 1.46 1.06 1yh3A1 LYS 96 HD2 -0.02 0.07 -0.47 -0.04 1.69 1.22 1yh3A1 LYS 96 HD3 0.01 -0.08 -0.03 -0.04 1.68 1.54 1yh3A1 LYS 96 HE2 -0.00 -0.12 -0.02 -0.04 2.99 2.81 1yh3A1 LYS 96 HE3 -0.02 0.01 -0.06 -0.04 2.99 2.87 1yh3A1 HIS 97 H 0.25 0.18 0.08 -0.55 8.41 8.38 1yh3A1 HIS 97 HA 0.21 -0.01 0.44 -0.75 4.63 4.51 1yh3A1 HIS 97 HB2 -0.36 0.09 0.15 -0.04 3.26 3.09 1yh3A1 HIS 97 HB3 -0.11 -0.01 0.12 -0.04 3.20 3.16 1yh3A1 HIS 97 HD2 -0.04 0.02 0.04 -0.04 6.97 6.95 1yh3A1 HIS 97 HE1 0.32 0.06 -0.05 -0.04 7.75 8.03 1yh3A1 PRO 98 HA -0.01 0.14 0.37 -0.51 4.44 4.43 1yh3A1 PRO 98 HB2 -0.41 -0.04 0.23 -0.04 2.28 2.02 1yh3A1 PRO 98 HB3 -0.09 0.05 0.23 -0.04 2.02 2.17 1yh3A1 PRO 98 HG2 -0.59 -0.01 -0.01 -0.04 2.03 1.38 1yh3A1 PRO 98 HG3 0.03 0.09 0.16 -0.04 2.03 2.27 1yh3A1 PRO 98 HD2 -0.53 -0.02 0.26 -0.04 3.68 3.35 1yh3A1 PRO 98 HD3 -0.00 0.24 0.25 -0.04 3.65 4.09 1yh3A1 CYS 99 H 0.63 0.01 -0.63 -0.55 8.50 7.96 1yh3A1 CYS 99 HA -0.11 0.18 0.65 -0.75 4.58 4.54 1yh3A1 CYS 99 HB2 0.17 -0.01 -0.04 -0.04 2.97 3.04 1yh3A1 CYS 99 HB3 -0.05 0.01 0.07 -0.04 2.97 2.96 1yh3A1 ASP 100 H 0.08 0.41 -0.20 -0.55 8.40 8.15 1yh3A1 ASP 100 HA -0.05 0.16 0.87 -0.75 4.63 4.86 1yh3A1 ASP 100 HB2 -0.10 -0.11 -0.01 -0.04 2.71 2.44 1yh3A1 ASP 100 HB3 0.02 0.07 0.12 -0.04 2.70 2.88 1yh3A1 ILE 101 H 0.01 0.70 -0.04 -0.55 8.25 8.36 1yh3A1 ILE 101 HA 0.03 0.15 0.80 -0.75 4.18 4.41 1yh3A1 ILE 101 HB 0.09 -0.02 -0.32 -0.04 1.89 1.59 1yh3A1 ILE 101 HG12 0.04 -0.03 -0.10 -0.04 1.49 1.36 1yh3A1 ILE 101 HG13 0.08 -0.14 -0.09 -0.04 1.21 1.02 1yh3A1 ILE 101 HG23 0.12 0.02 -0.14 -0.04 0.93 0.89 1yh3A1 ILE 101 HD13 0.10 0.05 -0.10 -0.04 0.88 0.89 1yh3A1 THR 102 H 0.02 0.19 0.19 -0.55 8.28 8.13 1yh3A1 THR 102 HA 0.05 0.24 0.87 -0.75 4.39 4.80 1yh3A1 THR 102 HB 0.03 -0.07 0.13 -0.04 4.32 4.37 1yh3A1 THR 102 HG23 0.01 0.07 -0.17 -0.04 1.22 1.09 1yh3A1 GLU 103 H 0.07 0.21 0.11 -0.55 8.60 8.44 1yh3A1 GLU 103 HA 0.18 0.12 0.51 -0.75 4.29 4.34 1yh3A1 GLU 103 HB2 0.06 0.06 0.08 -0.04 2.09 2.25 1yh3A1 GLU 103 HB3 0.05 -0.02 0.11 -0.04 1.99 2.09 1yh3A1 GLU 103 HG2 0.04 -0.01 -0.33 -0.04 2.34 2.00 1yh3A1 GLU 103 HG3 0.05 -0.02 -0.17 -0.04 2.34 2.16 1yh3A1 GLU 104 H 0.04 0.09 -0.13 -0.55 8.60 8.05 1yh3A1 GLU 104 HA 0.03 0.09 0.54 -0.75 4.29 4.19 1yh3A1 GLU 104 HB2 0.01 -0.03 0.04 -0.04 2.09 2.07 1yh3A1 GLU 104 HB3 0.00 0.07 -0.05 -0.04 1.99 1.98 1yh3A1 GLU 104 HG2 0.01 0.05 0.01 -0.04 2.34 2.37 1yh3A1 GLU 104 HG3 0.02 0.02 0.03 -0.04 2.34 2.36 1yh3A1 ASP 105 H 0.00 0.12 -0.31 -0.55 8.40 7.67 1yh3A1 ASP 105 HA -0.07 0.06 0.40 -0.75 4.63 4.27 1yh3A1 ASP 105 HB2 -0.20 0.06 0.15 -0.04 2.71 2.69 1yh3A1 ASP 105 HB3 -0.24 0.24 0.23 -0.04 2.70 2.89 1yh3A1 TYR 106 H 0.10 0.35 -0.50 -0.55 8.29 7.68 1yh3A1 TYR 106 HA 0.01 0.17 0.69 -0.75 4.56 4.67 1yh3A1 TYR 106 HB2 0.01 0.10 0.05 -0.04 3.06 3.19 1yh3A1 TYR 106 HB3 -0.02 -0.08 0.09 -0.04 2.98 2.92 1yh3A1 TYR 106 HD2 0.03 -0.01 -0.08 -0.04 7.15 7.05 1yh3A1 TYR 106 HE2 0.15 -0.02 -0.09 -0.04 6.85 6.84 1yh3A1 GLN 107 H 0.04 0.58 -0.26 -0.55 8.47 8.28 1yh3A1 GLN 107 HA 0.04 0.03 0.29 -0.75 4.36 3.96 1yh3A1 GLN 107 HB2 0.02 0.19 0.17 -0.04 2.15 2.48 1yh3A1 GLN 107 HB3 0.01 -0.04 -0.01 -0.04 2.02 1.94 1yh3A1 GLN 107 HG2 0.03 0.05 -0.04 -0.04 2.40 2.40 1yh3A1 GLN 107 HG3 0.02 -0.03 -0.00 -0.04 2.39 2.34 1yh3A1 GLN 107 HE21 0.01 0.02 -0.06 -0.04 6.97 6.90 1yh3A1 GLN 107 HE22 0.02 -0.04 -0.09 -0.04 7.69 7.53 1yh3A1 PRO 108 HA 0.00 0.06 0.45 -0.51 4.44 4.44 1yh3A1 PRO 108 HB2 -0.02 0.05 -0.02 -0.04 2.28 2.25 1yh3A1 PRO 108 HB3 -0.01 0.01 0.03 -0.04 2.02 2.00 1yh3A1 PRO 108 HG2 -0.03 0.10 0.03 -0.04 2.03 2.09 1yh3A1 PRO 108 HG3 -0.01 -0.00 0.02 -0.04 2.03 2.00 1yh3A1 PRO 108 HD2 -0.01 0.27 -0.07 -0.04 3.68 3.83 1yh3A1 PRO 108 HD3 -0.00 0.16 0.10 -0.04 3.65 3.87 1yh3A1 LEU 109 H 0.02 0.23 -0.30 -0.55 8.37 7.78 1yh3A1 LEU 109 HA -0.00 0.02 0.58 -0.75 4.35 4.18 1yh3A1 LEU 109 HB2 -0.01 0.01 -0.21 -0.04 1.64 1.39 1yh3A1 LEU 109 HB3 0.08 0.14 0.02 -0.04 1.64 1.83 1yh3A1 LEU 109 HG -0.07 0.02 -0.32 -0.04 1.64 1.22 1yh3A1 LEU 109 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.81 1yh3A1 LEU 109 HD23 -0.55 -0.01 -0.07 -0.04 0.89 0.22 1yh3A1 MET 110 H 0.02 0.55 -0.14 -0.55 8.47 8.35 1yh3A1 MET 110 HA -0.04 -0.00 0.20 -0.75 4.52 3.93 1yh3A1 MET 110 HB2 -0.00 0.04 -0.03 -0.04 2.15 2.11 1yh3A1 MET 110 HB3 -0.03 -0.05 -0.00 -0.04 2.03 1.91 1yh3A1 MET 110 HG2 0.02 0.39 0.15 -0.04 2.63 3.15 1yh3A1 MET 110 HG3 0.02 -0.10 -0.08 -0.04 2.56 2.36 1yh3A1 MET 110 HE3 -0.17 -0.02 -0.07 -0.04 2.10 1.80 1yh3A1 LYS 111 H 0.01 0.56 -0.12 -0.55 8.42 8.32 1yh3A1 LYS 111 HA 0.01 0.01 0.43 -0.75 4.32 4.03 1yh3A1 LYS 111 HB2 0.01 0.21 0.19 -0.04 1.87 2.24 1yh3A1 LYS 111 HB3 0.02 -0.04 -0.08 -0.04 1.79 1.64 1yh3A1 LYS 111 HG2 0.01 -0.05 0.03 -0.04 1.46 1.41 1yh3A1 LYS 111 HG3 0.01 0.17 0.02 -0.04 1.46 1.62 1yh3A1 LYS 111 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 1yh3A1 LYS 111 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.61 1yh3A1 LYS 111 HE2 0.00 -0.03 -0.05 -0.04 2.99 2.87 1yh3A1 LYS 111 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.90 1yh3A1 LEU 112 H 0.01 0.42 -0.16 -0.55 8.37 8.09 1yh3A1 LEU 112 HA 0.04 0.03 0.45 -0.75 4.35 4.11 1yh3A1 LEU 112 HB2 0.01 0.06 0.06 -0.04 1.64 1.73 1yh3A1 LEU 112 HB3 0.02 -0.10 -0.02 -0.04 1.64 1.50 1yh3A1 LEU 112 HG 0.01 0.22 0.05 -0.04 1.64 1.88 1yh3A1 LEU 112 HD13 0.01 -0.05 -0.18 -0.04 0.93 0.67 1yh3A1 LEU 112 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 1yh3A1 GLY 113 H -0.00 0.55 -0.28 -0.55 8.43 8.16 1yh3A1 GLY 113 HA2 -0.01 0.07 0.64 -0.51 4.01 4.21 1yh3A1 GLY 113 HA3 -0.02 -0.12 0.29 -0.51 4.01 3.65 1yh3A1 THR 114 H 0.04 0.34 -0.59 -0.55 8.28 7.51 1yh3A1 THR 114 HA 0.03 -0.03 0.39 -0.75 4.39 4.02 1yh3A1 THR 114 HB 0.06 0.00 0.08 -0.04 4.32 4.42 1yh3A1 THR 114 HG23 0.02 -0.03 -0.12 -0.04 1.22 1.05 1yh3A1 GLN 115 H 0.04 0.23 0.22 -0.55 8.47 8.42 1yh3A1 GLN 115 HA 0.07 0.11 0.69 -0.75 4.36 4.48 1yh3A1 GLN 115 HB2 0.05 0.13 -0.32 -0.04 2.15 1.97 1yh3A1 GLN 115 HB3 0.05 -0.06 -0.00 -0.04 2.02 1.97 1yh3A1 GLN 115 HG2 0.06 -0.06 -0.43 -0.04 2.40 1.93 1yh3A1 GLN 115 HG3 0.07 0.06 -0.10 -0.04 2.39 2.37 1yh3A1 GLN 115 HE21 0.21 0.03 0.01 -0.04 6.97 7.17 1yh3A1 GLN 115 HE22 0.10 0.07 -0.07 -0.04 7.69 7.75 1yh3A1 THR 116 H 0.03 0.22 0.09 -0.55 8.28 8.06 1yh3A1 THR 116 HA 0.00 0.20 0.94 -0.75 4.39 4.78 1yh3A1 THR 116 HB -0.02 -0.03 0.07 -0.04 4.32 4.31 1yh3A1 THR 116 HG23 -0.02 0.04 0.03 -0.04 1.22 1.22 1yh3A1 VAL 117 H -0.02 0.16 0.03 -0.55 8.24 7.86 1yh3A1 VAL 117 HA -0.27 0.18 0.66 -0.75 4.13 3.95 1yh3A1 VAL 117 HB -0.86 0.06 0.03 -0.04 2.12 1.31 1yh3A1 VAL 117 HG13 0.06 -0.01 -0.14 -0.04 0.97 0.84 1yh3A1 VAL 117 HG23 0.05 0.02 -0.21 -0.04 0.95 0.77 1yh3A1 PRO 118 HA -0.09 0.01 0.35 -0.51 4.44 4.21 1yh3A1 PRO 118 HB2 -0.03 -0.02 0.03 -0.04 2.28 2.23 1yh3A1 PRO 118 HB3 -0.02 0.03 0.03 -0.04 2.02 2.02 1yh3A1 PRO 118 HG2 -0.13 0.11 0.04 -0.04 2.03 2.02 1yh3A1 PRO 118 HG3 -0.10 0.05 0.05 -0.04 2.03 2.00 1yh3A1 PRO 118 HD2 -1.29 0.11 0.14 -0.04 3.68 2.60 1yh3A1 PRO 118 HD3 -0.35 0.17 0.11 -0.04 3.65 3.54 1yh3A1 CYS 119 H -0.05 0.11 0.19 -0.55 8.50 8.21 1yh3A1 CYS 119 HA -0.09 0.12 0.04 -0.75 4.58 3.91 1yh3A1 CYS 119 HB2 -0.06 0.28 0.16 -0.04 2.97 3.31 1yh3A1 CYS 119 HB3 -0.05 0.03 0.15 -0.04 2.97 3.06 1yh3A1 ASN 120 H 0.00 0.01 -0.24 -0.55 8.53 7.76 1yh3A1 ASN 120 HA 0.02 0.47 0.65 -0.75 4.76 5.15 1yh3A1 ASN 120 HB2 0.04 -0.02 0.18 -0.04 2.88 3.04 1yh3A1 ASN 120 HB3 0.02 -0.05 -0.01 -0.04 2.79 2.71 1yh3A1 ASN 120 HD21 0.06 0.00 -0.03 -0.04 7.03 7.01 1yh3A1 ASN 120 HD22 0.06 -0.01 0.02 -0.04 7.74 7.76 1yh3A1 LYS 121 H 0.08 0.39 -0.37 -0.55 8.42 7.97 1yh3A1 LYS 121 HA 0.19 0.23 0.91 -0.75 4.32 4.90 1yh3A1 LYS 121 HB2 0.32 0.03 0.03 -0.04 1.87 2.22 1yh3A1 LYS 121 HB3 0.35 0.04 0.20 -0.04 1.79 2.34 1yh3A1 LYS 121 HG2 0.17 0.10 -0.06 -0.04 1.46 1.63 1yh3A1 LYS 121 HG3 0.13 -0.20 -0.42 -0.04 1.46 0.93 1yh3A1 LYS 121 HD2 0.22 -0.07 -0.04 -0.04 1.69 1.77 1yh3A1 LYS 121 HD3 0.27 0.14 -0.02 -0.04 1.68 2.03 1yh3A1 LYS 121 HE2 0.09 -0.09 -0.06 -0.04 2.99 2.88 1yh3A1 LYS 121 HE3 0.11 -0.01 -0.01 -0.04 2.99 3.04 1yh3A1 ILE 122 H 0.09 0.28 -0.08 -0.55 8.25 7.99 1yh3A1 ILE 122 HA 0.26 0.15 0.94 -0.75 4.18 4.78 1yh3A1 ILE 122 HB -0.06 0.08 0.15 -0.04 1.89 2.02 1yh3A1 ILE 122 HG12 0.01 -0.01 -0.08 -0.04 1.49 1.37 1yh3A1 ILE 122 HG13 -0.05 0.05 -0.17 -0.04 1.21 1.00 1yh3A1 ILE 122 HG23 -0.09 -0.02 -0.15 -0.04 0.93 0.63 1yh3A1 ILE 122 HD13 -0.64 -0.01 -0.09 -0.04 0.88 0.10 1yh3A1 LEU 123 H 0.32 0.64 0.26 -0.55 8.37 9.05 1yh3A1 LEU 123 HA 0.06 0.23 0.81 -0.75 4.35 4.70 1yh3A1 LEU 123 HB2 0.17 0.05 -0.13 -0.04 1.64 1.69 1yh3A1 LEU 123 HB3 0.27 -0.06 -0.11 -0.04 1.64 1.69 1yh3A1 LEU 123 HG 0.18 0.01 -0.39 -0.04 1.64 1.40 1yh3A1 LEU 123 HD13 -0.29 0.01 -0.18 -0.04 0.93 0.43 1yh3A1 LEU 123 HD23 0.32 -0.03 -0.11 -0.04 0.89 1.02 1yh3A1 LEU 124 H 0.03 0.83 0.30 -0.55 8.37 8.98 1yh3A1 LEU 124 HA 0.18 0.04 0.82 -0.75 4.35 4.64 1yh3A1 LEU 124 HB2 -0.09 0.02 0.08 -0.04 1.64 1.60 1yh3A1 LEU 124 HB3 0.00 -0.10 0.07 -0.04 1.64 1.58 1yh3A1 LEU 124 HG 0.09 0.11 -0.07 -0.04 1.64 1.73 1yh3A1 LEU 124 HD13 0.23 0.01 -0.09 -0.04 0.93 1.03 1yh3A1 LEU 124 HD23 0.25 0.01 -0.07 -0.04 0.89 1.04 1yh3A1 TRP 125 H -0.39 0.23 0.25 -0.55 7.97 7.51 1yh3A1 TRP 125 HA -0.20 0.24 0.77 -0.75 4.62 4.67 1yh3A1 TRP 125 HB2 -0.11 -0.08 -0.03 -0.04 3.23 2.97 1yh3A1 TRP 125 HB3 -0.09 0.13 -0.13 -0.04 3.23 3.10 1yh3A1 TRP 125 HD1 0.02 0.16 -0.12 -0.04 7.22 7.24 1yh3A1 TRP 125 HE1 0.05 -0.06 0.01 -0.04 10.20 10.17 1yh3A1 TRP 125 HE3 -0.11 -0.17 -0.44 -0.04 7.59 6.84 1yh3A1 TRP 125 HZ2 -0.07 0.08 0.01 -0.04 7.44 7.41 1yh3A1 TRP 125 HZ3 -0.11 -0.11 0.03 -0.04 7.13 6.90 1yh3A1 TRP 125 HH2 -0.15 0.08 0.03 -0.04 7.19 7.10 1yh3A1 SER 126 H 0.13 0.63 0.27 -0.55 8.46 8.94 1yh3A1 SER 126 HA -0.21 0.10 1.02 -0.75 4.49 4.65 1yh3A1 SER 126 HB2 -0.23 0.03 -0.22 -0.04 3.95 3.49 1yh3A1 SER 126 HB3 -0.04 0.05 0.21 -0.04 3.93 4.11 1yh3A1 ARG 127 H 0.20 0.17 0.15 -0.55 8.46 8.43 1yh3A1 ARG 127 HA 0.17 0.04 0.41 -0.75 4.34 4.21 1yh3A1 ARG 127 HB2 0.04 0.13 -0.29 -0.04 1.90 1.74 1yh3A1 ARG 127 HB3 0.04 0.02 0.28 -0.04 1.80 2.10 1yh3A1 ARG 127 HG2 0.00 0.07 0.06 -0.04 1.67 1.76 1yh3A1 ARG 127 HG3 0.02 0.01 0.11 -0.04 1.67 1.77 1yh3A1 ARG 127 HD2 -0.02 -0.19 -0.06 -0.04 3.22 2.90 1yh3A1 ARG 127 HD3 -0.02 0.10 -0.04 -0.04 3.22 3.22 1yh3A1 ILE 128 H 0.41 0.05 -0.50 -0.55 8.25 7.67 1yh3A1 ILE 128 HA -0.02 0.16 0.51 -0.75 4.18 4.07 1yh3A1 ILE 128 HB 0.04 0.09 -0.21 -0.04 1.89 1.77 1yh3A1 ILE 128 HG12 -0.01 0.06 -0.05 -0.04 1.49 1.45 1yh3A1 ILE 128 HG13 -0.06 -0.21 0.03 -0.04 1.21 0.93 1yh3A1 ILE 128 HG23 0.08 -0.01 -0.20 -0.04 0.93 0.76 1yh3A1 ILE 128 HD13 -0.01 0.03 0.04 -0.04 0.88 0.90 1yh3A1 LYS 129 H -0.22 0.20 -0.05 -0.55 8.42 7.79 1yh3A1 LYS 129 HA -2.00 0.07 0.32 -0.75 4.32 1.95 1yh3A1 LYS 129 HB2 -0.71 -0.01 0.09 -0.04 1.87 1.19 1yh3A1 LYS 129 HB3 -0.29 0.02 0.09 -0.04 1.79 1.57 1yh3A1 LYS 129 HG2 -0.15 0.07 -0.12 -0.04 1.46 1.21 1yh3A1 LYS 129 HG3 -0.62 -0.02 -0.11 -0.04 1.46 0.67 1yh3A1 LYS 129 HD2 0.12 -0.01 -0.01 -0.04 1.69 1.75 1yh3A1 LYS 129 HD3 0.07 -0.03 0.01 -0.04 1.68 1.69 1yh3A1 LYS 129 HE2 0.04 0.02 -0.04 -0.04 2.99 2.96 1yh3A1 LYS 129 HE3 0.14 0.07 -0.04 -0.04 2.99 3.11 1yh3A1 ASP 130 H -0.21 0.11 -0.15 -0.55 8.40 7.59 1yh3A1 ASP 130 HA -0.11 0.12 0.18 -0.75 4.63 4.06 1yh3A1 ASP 130 HB2 -0.08 -0.05 0.07 -0.04 2.71 2.60 1yh3A1 ASP 130 HB3 -0.05 0.07 -0.11 -0.04 2.70 2.57 1yh3A1 LEU 131 H -0.13 0.10 -0.30 -0.55 8.37 7.49 1yh3A1 LEU 131 HA 0.03 0.12 0.31 -0.75 4.35 4.05 1yh3A1 LEU 131 HB2 -0.01 -0.05 0.03 -0.04 1.64 1.57 1yh3A1 LEU 131 HB3 -0.01 0.06 -0.05 -0.04 1.64 1.60 1yh3A1 LEU 131 HG 0.05 -0.01 -0.03 -0.04 1.64 1.61 1yh3A1 LEU 131 HD13 0.02 0.00 -0.05 -0.04 0.93 0.86 1yh3A1 LEU 131 HD23 0.20 0.02 -0.01 -0.04 0.89 1.06 1yh3A1 ALA 132 H -0.29 0.36 -0.17 -0.55 8.40 7.75 1yh3A1 ALA 132 HA 0.08 0.06 0.37 -0.75 4.34 4.09 1yh3A1 ALA 132 HB3 -0.47 0.01 0.02 -0.04 1.41 0.93 1yh3A1 HIS 133 H -0.36 0.47 -0.25 -0.55 8.41 7.73 1yh3A1 HIS 133 HA -0.03 0.01 0.22 -0.75 4.63 4.07 1yh3A1 HIS 133 HB2 -0.13 0.07 0.07 -0.04 3.26 3.23 1yh3A1 HIS 133 HB3 -0.05 0.05 -0.02 -0.04 3.20 3.14 1yh3A1 HIS 133 HD2 -0.04 0.01 -0.17 -0.04 6.97 6.73 1yh3A1 HIS 133 HE1 -0.06 -0.04 -0.03 -0.04 7.75 7.58 1yh3A1 GLN 134 H 0.05 0.48 -0.05 -0.55 8.47 8.40 1yh3A1 GLN 134 HA 0.04 0.07 0.45 -0.75 4.36 4.16 1yh3A1 GLN 134 HB2 0.07 0.00 0.15 -0.04 2.15 2.33 1yh3A1 GLN 134 HB3 0.06 0.00 -0.12 -0.04 2.02 1.93 1yh3A1 GLN 134 HG2 0.02 0.02 0.02 -0.04 2.40 2.42 1yh3A1 GLN 134 HG3 0.03 0.06 0.07 -0.04 2.39 2.50 1yh3A1 GLN 134 HE21 0.01 -0.05 -0.11 -0.04 6.97 6.77 1yh3A1 GLN 134 HE22 0.00 0.03 -0.24 -0.04 7.69 7.44 1yh3A1 PHE 135 H 0.24 0.51 -0.24 -0.55 8.34 8.30 1yh3A1 PHE 135 HA 0.02 0.05 0.50 -0.75 4.62 4.44 1yh3A1 PHE 135 HB2 0.26 -0.06 0.06 -0.04 3.15 3.37 1yh3A1 PHE 135 HB3 0.15 0.13 0.15 -0.04 3.06 3.46 1yh3A1 PHE 135 HD2 0.05 0.01 -0.07 -0.04 7.28 7.23 1yh3A1 PHE 135 HE2 0.09 0.03 -0.13 -0.04 7.38 7.33 1yh3A1 PHE 135 HZ 0.30 0.06 -0.13 -0.04 7.32 7.51 1yh3A1 THR 136 H 0.14 0.50 -0.04 -0.55 8.28 8.33 1yh3A1 THR 136 HA -0.41 -0.07 0.63 -0.75 4.39 3.78 1yh3A1 THR 136 HB -0.13 0.14 0.05 -0.04 4.32 4.34 1yh3A1 THR 136 HG23 0.14 -0.05 -0.18 -0.04 1.22 1.10 1yh3A1 GLN 137 H -0.01 0.81 -0.04 -0.55 8.47 8.68 1yh3A1 GLN 137 HA -0.05 0.04 0.63 -0.75 4.36 4.22 1yh3A1 GLN 137 HB2 -0.01 0.07 0.09 -0.04 2.15 2.25 1yh3A1 GLN 137 HB3 -0.02 -0.03 0.05 -0.04 2.02 1.97 1yh3A1 GLN 137 HG2 0.02 0.12 0.07 -0.04 2.40 2.57 1yh3A1 GLN 137 HG3 0.02 -0.11 -0.06 -0.04 2.39 2.20 1yh3A1 GLN 137 HE21 0.02 -0.00 0.00 -0.04 6.97 6.95 1yh3A1 GLN 137 HE22 0.01 -0.01 -0.00 -0.04 7.69 7.64 1yh3A1 VAL 138 H -0.16 0.33 -0.43 -0.55 8.24 7.43 1yh3A1 VAL 138 HA -0.09 0.04 0.23 -0.75 4.13 3.56 1yh3A1 VAL 138 HB -0.23 0.03 0.12 -0.04 2.12 1.99 1yh3A1 VAL 138 HG13 -0.11 0.00 -0.39 -0.04 0.97 0.43 1yh3A1 VAL 138 HG23 -0.08 0.04 0.04 -0.04 0.95 0.91 1yh3A1 GLN 139 H -0.23 -0.03 0.04 -0.55 8.47 7.71 1yh3A1 ARG 140 H -0.22 0.19 0.05 -0.55 8.46 7.93 1yh3A1 ARG 140 HA -0.31 0.19 0.45 -0.75 4.34 3.91 1yh3A1 ARG 140 HB2 -0.11 0.06 0.19 -0.04 1.90 2.00 1yh3A1 ARG 140 HB3 -0.27 -0.02 0.10 -0.04 1.80 1.57 1yh3A1 ARG 140 HG2 -0.12 -0.15 -0.48 -0.04 1.67 0.88 1yh3A1 ARG 140 HG3 -0.06 0.04 -0.33 -0.04 1.67 1.29 1yh3A1 ARG 140 HD2 -0.05 -0.01 -0.07 -0.04 3.22 3.05 1yh3A1 ARG 140 HD3 -0.04 -0.04 -0.02 -0.04 3.22 3.08 1yh3A1 ASP 141 H -0.37 0.01 0.04 -0.55 8.40 7.53 1yh3A1 ASP 141 HA -0.05 0.15 0.33 -0.75 4.63 4.31 1yh3A1 ASP 141 HB2 -0.18 -0.05 -0.06 -0.04 2.71 2.39 1yh3A1 ASP 141 HB3 0.02 0.01 0.03 -0.04 2.70 2.72 1yh3A1 MET 142 H -0.24 0.01 -0.04 -0.55 8.47 7.66 1yh3A1 MET 142 HA 0.13 0.28 0.42 -0.75 4.52 4.59 1yh3A1 MET 142 HB2 0.28 -0.16 -0.16 -0.04 2.15 2.07 1yh3A1 MET 142 HB3 0.22 0.03 -0.12 -0.04 2.03 2.12 1yh3A1 MET 142 HG2 0.17 0.09 -0.07 -0.04 2.63 2.77 1yh3A1 MET 142 HG3 0.22 -0.03 -0.77 -0.04 2.56 1.94 1yh3A1 MET 142 HE3 -0.40 -0.00 -0.11 -0.04 2.10 1.54 1yh3A1 PHE 143 H 0.40 0.61 0.33 -0.55 8.34 9.13 1yh3A1 PHE 143 HA 0.19 0.13 0.88 -0.75 4.62 5.06 1yh3A1 PHE 143 HB2 0.26 0.01 0.03 -0.04 3.15 3.41 1yh3A1 PHE 143 HB3 0.27 0.00 -0.07 -0.04 3.06 3.23 1yh3A1 PHE 143 HD2 0.13 0.09 -0.08 -0.04 7.28 7.38 1yh3A1 PHE 143 HE2 0.09 0.02 -0.06 -0.04 7.38 7.39 1yh3A1 PHE 143 HZ 0.06 0.02 -0.02 -0.04 7.32 7.35 1yh3A1 THR 144 H 0.28 0.13 0.06 -0.55 8.28 8.20 1yh3A1 THR 144 HA 0.46 0.48 0.98 -0.75 4.39 5.55 1yh3A1 THR 144 HB 0.57 -0.14 0.12 -0.04 4.32 4.83 1yh3A1 THR 144 HG23 0.28 0.04 -0.14 -0.04 1.22 1.36 1yh3A1 LEU 145 H 0.12 0.18 0.15 -0.55 8.37 8.28 1yh3A1 LEU 145 HA -1.30 0.15 0.17 -0.75 4.35 2.61 1yh3A1 LEU 145 HB2 -0.45 0.07 0.11 -0.04 1.64 1.33 1yh3A1 LEU 145 HB3 0.02 -0.06 0.15 -0.04 1.64 1.70 1yh3A1 LEU 145 HG 0.16 -0.04 -0.15 -0.04 1.64 1.58 1yh3A1 LEU 145 HD13 -0.26 0.01 -0.02 -0.04 0.93 0.62 1yh3A1 LEU 145 HD23 0.24 -0.01 -0.05 -0.04 0.89 1.03 1yh3A1 GLU 146 H 0.29 0.01 -0.32 -0.55 8.60 8.04 1yh3A1 GLU 146 HA 0.26 0.04 -0.03 -0.75 4.29 3.80 1yh3A1 GLU 146 HB2 0.11 -0.03 -0.04 -0.04 2.09 2.09 1yh3A1 GLU 146 HB3 0.09 0.13 -0.00 -0.04 1.99 2.17 1yh3A1 GLU 146 HG2 0.34 0.01 -0.01 -0.04 2.34 2.63 1yh3A1 GLU 146 HG3 0.42 0.07 -0.09 -0.04 2.34 2.70 1yh3A1 ASP 147 H 0.18 0.41 -0.49 -0.55 8.40 7.96 1yh3A1 ASP 147 HA 0.29 0.17 0.73 -0.75 4.63 5.06 1yh3A1 ASP 147 HB2 0.32 0.09 0.04 -0.04 2.71 3.11 1yh3A1 ASP 147 HB3 0.28 0.06 0.10 -0.04 2.70 3.11 1yh3A1 THR 148 H 0.10 0.28 -0.16 -0.55 8.28 7.96 1yh3A1 THR 148 HA 0.11 0.20 0.73 -0.75 4.39 4.68 1yh3A1 THR 148 HB 0.02 0.01 0.10 -0.04 4.32 4.41 1yh3A1 THR 148 HG23 0.08 0.03 -0.04 -0.04 1.22 1.24 1yh3A1 LEU 149 H -0.28 0.23 0.05 -0.55 8.37 7.83 1yh3A1 LEU 149 HA -1.44 0.11 0.29 -0.75 4.35 2.55 1yh3A1 LEU 149 HB2 -0.55 0.07 0.07 -0.04 1.64 1.19 1yh3A1 LEU 149 HB3 -0.22 0.06 0.12 -0.04 1.64 1.56 1yh3A1 LEU 149 HG -0.15 -0.05 -0.32 -0.04 1.64 1.08 1yh3A1 LEU 149 HD13 -0.24 -0.01 -0.01 -0.04 0.93 0.62 1yh3A1 LEU 149 HD23 -0.07 0.02 -0.04 -0.04 0.89 0.76 1yh3A1 LEU 150 H -0.10 0.15 -0.17 -0.55 8.37 7.71 1yh3A1 LEU 150 HA -0.02 0.06 0.14 -0.75 4.35 3.79 1yh3A1 LEU 150 HB2 -0.06 -0.02 0.07 -0.04 1.64 1.58 1yh3A1 LEU 150 HB3 -0.04 -0.00 -0.07 -0.04 1.64 1.49 1yh3A1 LEU 150 HG -0.06 0.04 0.03 -0.04 1.64 1.60 1yh3A1 LEU 150 HD13 -0.07 0.02 -0.05 -0.04 0.93 0.79 1yh3A1 LEU 150 HD23 -0.05 0.02 -0.10 -0.04 0.89 0.71 1yh3A1 GLY 151 H 0.02 0.10 -0.25 -0.55 8.43 7.76 1yh3A1 GLY 151 HA2 0.30 -0.01 0.39 -0.51 4.01 4.18 1yh3A1 GLY 151 HA3 0.25 0.13 0.07 -0.51 4.01 3.95 1yh3A1 TYR 152 H 0.15 0.69 -0.26 -0.55 8.29 8.32 1yh3A1 TYR 152 HA 0.11 0.00 0.59 -0.75 4.56 4.51 1yh3A1 TYR 152 HB2 0.06 0.14 -0.03 -0.04 3.06 3.19 1yh3A1 TYR 152 HB3 -0.24 0.03 0.08 -0.04 2.98 2.81 1yh3A1 TYR 152 HD2 0.12 0.05 -0.13 -0.04 7.15 7.15 1yh3A1 TYR 152 HE2 0.13 -0.03 0.01 -0.04 6.85 6.92 1yh3A1 LEU 153 H 0.10 0.60 -0.15 -0.55 8.37 8.38 1yh3A1 LEU 153 HA 0.06 -0.01 0.30 -0.75 4.35 3.94 1yh3A1 LEU 153 HB2 0.04 0.12 0.11 -0.04 1.64 1.87 1yh3A1 LEU 153 HB3 0.11 -0.10 0.02 -0.04 1.64 1.64 1yh3A1 LEU 153 HG 0.01 0.27 -0.06 -0.04 1.64 1.83 1yh3A1 LEU 153 HD13 0.06 -0.04 -0.10 -0.04 0.93 0.81 1yh3A1 LEU 153 HD23 0.09 -0.02 -0.07 -0.04 0.89 0.85 1yh3A1 ALA 154 H 0.10 0.30 -0.42 -0.55 8.40 7.84 1yh3A1 ALA 154 HA 0.08 0.14 0.13 -0.75 4.34 3.93 1yh3A1 ALA 154 HB3 -0.33 -0.02 -0.06 -0.04 1.41 0.96 1yh3A1 ASP 155 H 0.26 0.38 -0.16 -0.55 8.40 8.34 1yh3A1 ASP 155 HA 0.56 -0.14 0.41 -0.75 4.63 4.71 1yh3A1 ASP 155 HB2 0.21 0.21 0.17 -0.04 2.71 3.26 1yh3A1 ASP 155 HB3 0.05 0.07 0.11 -0.04 2.70 2.89 1yh3A1 ASP 156 H 0.28 0.03 0.23 -0.55 8.40 8.39 1yh3A1 ASP 156 HA 0.15 -0.07 0.35 -0.75 4.63 4.31 1yh3A1 ASP 156 HB2 0.10 0.25 -0.14 -0.04 2.71 2.88 1yh3A1 ASP 156 HB3 0.09 -0.03 0.19 -0.04 2.70 2.91 1yh3A1 LEU 157 H 0.41 0.51 -0.19 -0.55 8.37 8.56 1yh3A1 LEU 157 HA 0.24 0.09 0.84 -0.75 4.35 4.77 1yh3A1 LEU 157 HB2 0.61 0.06 -0.03 -0.04 1.64 2.24 1yh3A1 LEU 157 HB3 0.58 -0.07 0.03 -0.04 1.64 2.13 1yh3A1 LEU 157 HG 0.23 0.22 -0.31 -0.04 1.64 1.74 1yh3A1 LEU 157 HD13 0.11 -0.00 -0.04 -0.04 0.93 0.96 1yh3A1 LEU 157 HD23 0.17 -0.01 -0.08 -0.04 0.89 0.93 1yh3A1 THR 158 H 0.16 0.14 0.22 -0.55 8.28 8.24 1yh3A1 THR 158 HA -0.25 0.14 0.70 -0.75 4.39 4.23 1yh3A1 THR 158 HB -0.03 0.07 -0.08 -0.04 4.32 4.23 1yh3A1 THR 158 HG23 -0.20 0.02 -0.20 -0.04 1.22 0.80 1yh3A1 TRP 159 H -0.78 0.30 0.11 -0.55 7.97 7.06 1yh3A1 TRP 159 HA -0.57 0.03 0.69 -0.75 4.62 4.02 1yh3A1 TRP 159 HB2 -1.26 0.00 0.01 -0.04 3.23 1.94 1yh3A1 TRP 159 HB3 -1.90 0.13 -0.33 -0.04 3.23 1.09 1yh3A1 TRP 159 HD1 -2.09 -0.01 -0.30 -0.04 7.22 4.78 1yh3A1 TRP 159 HE1 -0.00 0.06 -0.19 -0.04 10.20 10.03 1yh3A1 TRP 159 HE3 -0.21 -0.05 -0.54 -0.04 7.59 6.76 1yh3A1 TRP 159 HZ2 -0.41 0.05 -0.07 -0.04 7.44 6.96 1yh3A1 TRP 159 HZ3 0.07 0.22 -0.10 -0.04 7.13 7.28 1yh3A1 TRP 159 HH2 -0.95 -0.00 -0.06 -0.04 7.19 6.13 1yh3A1 CYS 160 H -0.16 0.29 0.27 -0.55 8.50 8.36 1yh3A1 CYS 160 HA -0.15 0.09 0.09 -0.75 4.58 3.85 1yh3A1 CYS 160 HB2 -0.09 0.06 0.31 -0.04 2.97 3.20 1yh3A1 CYS 160 HB3 -0.26 0.06 0.35 -0.04 2.97 3.07 1yh3A1 GLY 161 H 0.26 0.21 0.14 -0.55 8.43 8.50 1yh3A1 GLY 161 HA2 0.16 0.07 1.05 -0.51 4.01 4.77 1yh3A1 GLY 161 HA3 0.20 0.13 0.43 -0.51 4.01 4.27 1yh3A1 GLU 162 H 0.09 0.25 0.30 -0.55 8.60 8.70 1yh3A1 GLU 162 HA 0.12 0.14 0.92 -0.75 4.29 4.72 1yh3A1 GLU 162 HB2 0.06 -0.18 0.03 -0.04 2.09 1.96 1yh3A1 GLU 162 HB3 0.09 0.02 0.11 -0.04 1.99 2.16 1yh3A1 GLU 162 HG2 0.10 0.05 -0.65 -0.04 2.34 1.80 1yh3A1 GLU 162 HG3 0.07 0.20 -0.02 -0.04 2.34 2.55 1yh3A1 PHE 163 H 0.20 0.14 0.14 -0.55 8.34 8.27 1yh3A1 PHE 163 HA 0.06 0.15 -0.11 -0.75 4.62 3.96 1yh3A1 PHE 163 HB2 0.15 -0.10 0.07 -0.04 3.15 3.24 1yh3A1 PHE 163 HB3 0.11 -0.01 0.06 -0.04 3.06 3.18 1yh3A1 PHE 163 HD2 0.10 -0.01 -0.03 -0.04 7.28 7.30 1yh3A1 PHE 163 HE2 0.05 0.03 0.02 -0.04 7.38 7.44 1yh3A1 PHE 163 HZ 0.03 0.01 0.02 -0.04 7.32 7.34 1yh3A1 ALA 164 H 0.06 -0.09 -0.52 -0.55 8.40 7.30 1yh3A1 ALA 164 HA -0.11 0.09 0.17 -0.75 4.34 3.74 1yh3A1 ALA 164 HB3 0.02 -0.01 0.03 -0.04 1.41 1.41 1yh3A1 THR 165 H -0.02 0.33 -0.09 -0.55 8.28 7.95 1yh3A1 THR 165 HA -0.04 0.22 0.81 -0.75 4.39 4.63 1yh3A1 THR 165 HB -0.01 0.04 -0.35 -0.04 4.32 3.97 1yh3A1 THR 165 HG23 0.02 -0.27 -0.12 -0.04 1.22 0.81 1yh3A1 SER 166 H -0.01 0.17 0.15 -0.55 8.46 8.22 1yh3A1 SER 166 HA -0.03 0.17 0.78 -0.75 4.49 4.66 1yh3A1 SER 166 HB2 -0.03 0.03 0.17 -0.04 3.95 4.09 1yh3A1 SER 166 HB3 -0.03 0.06 0.06 -0.04 3.93 3.99 1yh3A1 LYS 167 H 0.02 0.02 -0.41 -0.55 8.42 7.50 1yh3A1 LYS 167 HA 0.07 0.12 0.35 -0.75 4.32 4.11 1yh3A1 LYS 167 HB2 0.05 -0.08 0.02 -0.04 1.87 1.81 1yh3A1 LYS 167 HB3 0.09 0.17 -0.06 -0.04 1.79 1.95 1yh3A1 LYS 167 HG2 0.08 0.03 0.02 -0.04 1.46 1.56 1yh3A1 LYS 167 HG3 0.05 -0.05 -0.05 -0.04 1.46 1.36 1yh3A1 LYS 167 HD2 0.08 0.04 0.01 -0.04 1.69 1.78 1yh3A1 LYS 167 HD3 0.05 0.02 0.00 -0.04 1.68 1.72 1yh3A1 LYS 167 HE2 0.03 -0.05 -0.01 -0.04 2.99 2.91 1yh3A1 LYS 167 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.94 1yh3A1 ILE 168 H 0.13 0.11 0.19 -0.55 8.25 8.12 1yh3A1 ILE 168 HA 0.08 0.17 0.81 -0.75 4.18 4.48 1yh3A1 ILE 168 HB 0.03 -0.05 0.16 -0.04 1.89 1.99 1yh3A1 ILE 168 HG12 0.28 0.06 0.02 -0.04 1.49 1.81 1yh3A1 ILE 168 HG13 0.16 -0.00 0.04 -0.04 1.21 1.37 1yh3A1 ILE 168 HG23 -0.53 0.01 -0.13 -0.04 0.93 0.24 1yh3A1 ILE 168 HD13 0.47 -0.00 0.01 -0.04 0.88 1.32 1yh3A1 ASN 169 H -0.01 0.66 0.35 -0.55 8.53 8.99 1yh3A1 ASN 169 HA 0.03 0.06 0.86 -0.75 4.76 4.96 1yh3A1 ASN 169 HB2 0.09 0.04 -0.02 -0.04 2.88 2.95 1yh3A1 ASN 169 HB3 0.06 0.08 0.17 -0.04 2.79 3.06 1yh3A1 ASN 169 HD21 0.13 -0.11 0.04 -0.04 7.03 7.05 1yh3A1 ASN 169 HD22 0.25 0.07 0.03 -0.04 7.74 8.05 1yh3A1 TYR 170 H 0.16 0.25 0.15 -0.55 8.29 8.30 1yh3A1 TYR 170 HA 0.05 0.14 0.66 -0.75 4.56 4.66 1yh3A1 TYR 170 HB2 0.05 -0.00 0.06 -0.04 3.06 3.12 1yh3A1 TYR 170 HB3 0.05 0.07 0.11 -0.04 2.98 3.17 1yh3A1 TYR 170 HD2 0.07 0.16 -0.09 -0.04 7.15 7.25 1yh3A1 TYR 170 HE2 0.12 -0.04 0.01 -0.04 6.85 6.90 1yh3A1 GLN 171 H 0.09 -0.04 -0.14 -0.55 8.47 7.84 1yh3A1 GLN 171 HA 0.08 0.29 0.94 -0.75 4.36 4.91 1yh3A1 GLN 171 HB2 0.04 -0.10 0.12 -0.04 2.15 2.17 1yh3A1 GLN 171 HB3 0.01 0.03 -0.06 -0.04 2.02 1.97 1yh3A1 GLN 171 HG2 0.05 -0.07 -0.04 -0.04 2.40 2.29 1yh3A1 GLN 171 HG3 -0.01 0.00 0.01 -0.04 2.39 2.35 1yh3A1 GLN 171 HE21 0.04 0.03 0.01 -0.04 6.97 7.00 1yh3A1 GLN 171 HE22 0.06 -0.08 -0.08 -0.04 7.69 7.54 1yh3A1 SER 172 H 0.10 0.13 0.06 -0.55 8.46 8.21 1yh3A1 SER 172 HA 0.08 0.19 0.11 -0.75 4.49 4.12 1yh3A1 SER 172 HB2 0.16 0.24 -0.03 -0.04 3.95 4.28 1yh3A1 SER 172 HB3 0.07 0.13 -0.18 -0.04 3.93 3.91 1yh3A1 CYS 173 H 0.09 0.60 -0.20 -0.55 8.50 8.44 1yh3A1 CYS 173 HA -0.12 0.11 0.68 -0.75 4.58 4.50 1yh3A1 CYS 173 HB2 -0.10 0.39 -0.15 -0.04 2.97 3.06 1yh3A1 CYS 173 HB3 -0.23 -0.01 -0.08 -0.04 2.97 2.60 1yh3A1 PRO 174 HA -0.29 -0.10 0.42 -0.51 4.44 3.96 1yh3A1 PRO 174 HB2 -0.39 0.04 0.02 -0.04 2.28 1.90 1yh3A1 PRO 174 HB3 -0.62 0.01 0.01 -0.04 2.02 1.38 1yh3A1 PRO 174 HG2 -0.70 0.29 -0.00 -0.04 2.03 1.58 1yh3A1 PRO 174 HG3 -2.08 0.01 -0.07 -0.04 2.03 -0.15 1yh3A1 PRO 174 HD2 -0.53 0.11 0.24 -0.04 3.68 3.46 1yh3A1 PRO 174 HD3 -1.30 0.14 0.15 -0.04 3.65 2.59 1yh3A1 ASP 175 H 0.02 -0.03 0.21 -0.55 8.40 8.05 1yh3A1 ASP 175 HA 0.02 0.18 0.82 -0.75 4.63 4.89 1yh3A1 ASP 175 HB2 0.05 0.17 -0.10 -0.04 2.71 2.78 1yh3A1 ASP 175 HB3 0.06 -0.10 0.12 -0.04 2.70 2.74 1yh3A1 TRP 176 H 0.19 0.16 0.13 -0.55 7.97 7.91 1yh3A1 TRP 176 HA -0.07 0.29 0.22 -0.75 4.62 4.32 1yh3A1 TRP 176 HB2 -0.05 0.02 0.13 -0.04 3.23 3.29 1yh3A1 TRP 176 HB3 -0.04 -0.07 0.12 -0.04 3.23 3.20 1yh3A1 TRP 176 HD1 -0.03 -0.04 -0.40 -0.04 7.22 6.71 1yh3A1 TRP 176 HE1 -0.02 0.02 -0.07 -0.04 10.20 10.08 1yh3A1 TRP 176 HE3 -0.02 0.00 0.12 -0.04 7.59 7.65 1yh3A1 TRP 176 HZ2 -0.02 0.03 -0.01 -0.04 7.44 7.39 1yh3A1 TRP 176 HZ3 -0.00 0.04 0.01 -0.04 7.13 7.14 1yh3A1 TRP 176 HH2 -0.02 0.04 -0.01 -0.04 7.19 7.16 1yh3A1 ARG 177 H 0.23 -0.05 -0.27 -0.55 8.46 7.82 1yh3A1 ARG 177 HA 0.06 0.22 0.69 -0.75 4.34 4.55 1yh3A1 ARG 177 HB2 0.12 -0.09 0.10 -0.04 1.90 1.99 1yh3A1 ARG 177 HB3 0.10 0.08 -0.04 -0.04 1.80 1.90 1yh3A1 ARG 177 HG2 0.34 0.07 -0.05 -0.04 1.67 1.99 1yh3A1 ARG 177 HG3 0.34 -0.09 -0.03 -0.04 1.67 1.84 1yh3A1 ARG 177 HD2 0.10 -0.00 -0.01 -0.04 3.22 3.26 1yh3A1 ARG 177 HD3 0.09 -0.01 0.01 -0.04 3.22 3.26 1yh3A1 LYS 178 H 0.06 -0.01 -0.03 -0.55 8.42 7.89 1yh3A1 LYS 178 HA 0.02 0.18 0.48 -0.75 4.32 4.25 1yh3A1 LYS 178 HB2 0.07 -0.08 0.09 -0.04 1.87 1.90 1yh3A1 LYS 178 HB3 0.05 0.07 0.11 -0.04 1.79 1.99 1yh3A1 LYS 178 HG2 0.05 0.07 0.03 -0.04 1.46 1.56 1yh3A1 LYS 178 HG3 0.05 -0.05 -0.03 -0.04 1.46 1.38 1yh3A1 LYS 178 HD2 0.06 -0.15 0.07 -0.04 1.69 1.63 1yh3A1 LYS 178 HD3 0.06 0.09 0.05 -0.04 1.68 1.84 1yh3A1 LYS 178 HE2 0.05 -0.01 0.01 -0.04 2.99 2.99 1yh3A1 LYS 178 HE3 0.05 -0.03 0.03 -0.04 2.99 3.00 1yh3A1 ASP 179 H -0.01 0.41 -0.33 -0.55 8.40 7.93 1yh3A1 ASP 179 HA 0.09 0.23 0.74 -0.75 4.63 4.94 1yh3A1 ASP 179 HB2 -0.10 0.00 0.16 -0.04 2.71 2.73 1yh3A1 ASP 179 HB3 0.01 0.03 0.01 -0.04 2.70 2.72 1yh3A1 CYS 180 H -0.15 0.38 0.11 -0.55 8.50 8.29 1yh3A1 CYS 180 HA -0.20 0.15 0.52 -0.75 4.58 4.29 1yh3A1 CYS 180 HB2 -0.16 -0.14 0.03 -0.04 2.97 2.66 1yh3A1 CYS 180 HB3 -0.11 0.17 -0.02 -0.04 2.97 2.97 1yh3A1 SER 181 H -0.37 0.19 0.18 -0.55 8.46 7.91 1yh3A1 SER 181 HA -0.46 0.09 0.54 -0.75 4.49 3.91 1yh3A1 SER 181 HB2 -1.04 -0.01 0.09 -0.04 3.95 2.94 1yh3A1 SER 181 HB3 -1.63 0.08 0.11 -0.04 3.93 2.44 1yh3A1 ASN 182 H -0.16 0.09 -0.15 -0.55 8.53 7.76 1yh3A1 ASN 182 HA -0.00 0.15 0.46 -0.75 4.76 4.61 1yh3A1 ASN 182 HB2 -0.07 0.17 0.08 -0.04 2.88 3.02 1yh3A1 ASN 182 HB3 -0.01 0.20 0.11 -0.04 2.79 3.04 1yh3A1 ASN 182 HD21 -0.07 -0.02 0.02 -0.04 7.03 6.92 1yh3A1 ASN 182 HD22 -0.07 0.08 0.06 -0.04 7.74 7.77 1yh3A1 ASN 183 H -0.01 0.33 -0.27 -0.55 8.53 8.04 1yh3A1 ASN 183 HA -0.11 0.58 0.61 -0.75 4.76 5.09 1yh3A1 ASN 183 HB2 -0.24 0.02 0.18 -0.04 2.88 2.80 1yh3A1 ASN 183 HB3 -0.22 0.04 -0.02 -0.04 2.79 2.56 1yh3A1 ASN 183 HD21 0.16 -0.13 0.07 -0.04 7.03 7.08 1yh3A1 ASN 183 HD22 -0.04 0.46 0.01 -0.04 7.74 8.13 1yh3A1 PRO 184 HA 0.25 0.10 0.25 -0.51 4.44 4.53 1yh3A1 PRO 184 HB2 -0.58 0.20 0.08 -0.04 2.28 1.94 1yh3A1 PRO 184 HB3 0.20 0.05 -0.01 -0.04 2.02 2.22 1yh3A1 PRO 184 HG2 -0.06 -0.10 0.21 -0.04 2.03 2.04 1yh3A1 PRO 184 HG3 0.10 0.11 0.10 -0.04 2.03 2.29 1yh3A1 PRO 184 HD2 -0.27 0.09 0.33 -0.04 3.68 3.80 1yh3A1 PRO 184 HD3 -0.14 0.41 0.43 -0.04 3.65 4.30 1yh3A1 VAL 185 H -0.43 0.15 -0.11 -0.55 8.24 7.30 1yh3A1 VAL 185 HA -0.98 0.13 0.37 -0.75 4.13 2.90 1yh3A1 VAL 185 HB -0.33 -0.03 0.13 -0.04 2.12 1.85 1yh3A1 VAL 185 HG13 -0.03 0.02 -0.06 -0.04 0.97 0.85 1yh3A1 VAL 185 HG23 -1.35 0.09 0.12 -0.04 0.95 -0.24 1yh3A1 SER 186 H -0.00 0.11 -0.09 -0.55 8.46 7.93 1yh3A1 SER 186 HA 0.21 0.00 0.34 -0.75 4.49 4.29 1yh3A1 SER 186 HB2 0.30 0.24 0.21 -0.04 3.95 4.66 1yh3A1 SER 186 HB3 0.44 -0.01 0.14 -0.04 3.93 4.46 1yh3A1 VAL 187 H 0.14 0.63 -0.24 -0.55 8.24 8.21 1yh3A1 VAL 187 HA 0.15 0.02 0.23 -0.75 4.13 3.78 1yh3A1 VAL 187 HB 0.29 0.10 -0.19 -0.04 2.12 2.28 1yh3A1 VAL 187 HG13 0.26 -0.03 -0.50 -0.04 0.97 0.66 1yh3A1 VAL 187 HG23 0.11 0.06 -0.20 -0.04 0.95 0.88 1yh3A1 PHE 188 H 0.19 0.42 -0.30 -0.55 8.34 8.09 1yh3A1 PHE 188 HA -0.68 0.03 0.36 -0.75 4.62 3.57 1yh3A1 PHE 188 HB2 -0.46 0.07 0.09 -0.04 3.15 2.81 1yh3A1 PHE 188 HB3 -0.18 0.12 0.20 -0.04 3.06 3.15 1yh3A1 PHE 188 HD2 -1.48 0.01 -0.11 -0.04 7.28 5.66 1yh3A1 PHE 188 HE2 -1.44 -0.02 -0.12 -0.04 7.38 5.75 1yh3A1 PHE 188 HZ -0.50 0.16 -0.20 -0.04 7.32 6.74 1yh3A1 TRP 189 H 0.19 0.57 -0.08 -0.55 7.97 8.09 1yh3A1 TRP 189 HA -0.15 0.01 0.53 -0.75 4.62 4.26 1yh3A1 TRP 189 HB2 0.02 0.11 0.13 -0.04 3.23 3.44 1yh3A1 TRP 189 HB3 -0.02 -0.10 0.01 -0.04 3.23 3.08 1yh3A1 TRP 189 HD1 0.04 0.02 -0.05 -0.04 7.22 7.19 1yh3A1 TRP 189 HE1 0.18 0.10 0.01 -0.04 10.20 10.45 1yh3A1 TRP 189 HE3 0.02 -0.06 0.02 -0.04 7.59 7.52 1yh3A1 TRP 189 HZ2 0.28 0.11 -0.32 -0.04 7.44 7.47 1yh3A1 TRP 189 HZ3 0.12 -0.06 -0.08 -0.04 7.13 7.06 1yh3A1 TRP 189 HH2 0.24 0.17 -0.02 -0.04 7.19 7.54 1yh3A1 LYS 190 H 0.14 0.63 -0.15 -0.55 8.42 8.49 1yh3A1 LYS 190 HA 0.06 -0.04 0.42 -0.75 4.32 4.01 1yh3A1 LYS 190 HB2 0.12 -0.01 0.09 -0.04 1.87 2.03 1yh3A1 LYS 190 HB3 0.10 0.10 0.12 -0.04 1.79 2.06 1yh3A1 LYS 190 HG2 0.05 0.00 -0.21 -0.04 1.46 1.27 1yh3A1 LYS 190 HG3 0.06 -0.04 0.01 -0.04 1.46 1.46 1yh3A1 LYS 190 HD2 0.16 0.01 -0.05 -0.04 1.69 1.77 1yh3A1 LYS 190 HD3 0.09 -0.02 -0.05 -0.04 1.68 1.65 1yh3A1 LYS 190 HE2 0.11 -0.03 -0.04 -0.04 2.99 2.99 1yh3A1 LYS 190 HE3 0.15 -0.01 -0.04 -0.04 2.99 3.05 1yh3A1 THR 191 H -0.08 0.55 -0.21 -0.55 8.28 8.00 1yh3A1 THR 191 HA -0.03 0.04 0.37 -0.75 4.39 4.02 1yh3A1 THR 191 HB -0.27 0.09 0.09 -0.04 4.32 4.19 1yh3A1 THR 191 HG23 -0.03 -0.02 -0.06 -0.04 1.22 1.08 1yh3A1 VAL 192 H -0.43 0.68 0.03 -0.55 8.24 7.97 1yh3A1 VAL 192 HA -0.17 0.12 0.63 -0.75 4.13 3.95 1yh3A1 VAL 192 HB -0.26 -0.06 0.05 -0.04 2.12 1.80 1yh3A1 VAL 192 HG13 -0.83 0.03 -0.03 -0.04 0.97 0.11 1yh3A1 VAL 192 HG23 -0.52 0.05 -0.04 -0.04 0.95 0.40 1yh3A1 SER 193 H 0.01 0.62 -0.23 -0.55 8.46 8.31 1yh3A1 SER 193 HA 0.13 0.02 0.57 -0.75 4.49 4.46 1yh3A1 SER 193 HB2 0.06 -0.12 0.08 -0.04 3.95 3.93 1yh3A1 SER 193 HB3 0.13 0.02 0.10 -0.04 3.93 4.14 1yh3A1 ARG 194 H 0.02 0.48 -0.19 -0.55 8.46 8.21 1yh3A1 ARG 194 HA 0.03 0.03 0.30 -0.75 4.34 3.95 1yh3A1 ARG 194 HB2 0.02 0.08 0.13 -0.04 1.90 2.09 1yh3A1 ARG 194 HB3 0.01 0.06 0.08 -0.04 1.80 1.91 1yh3A1 ARG 194 HG2 0.02 0.01 -0.14 -0.04 1.67 1.51 1yh3A1 ARG 194 HG3 0.02 0.02 -0.01 -0.04 1.67 1.67 1yh3A1 ARG 194 HD2 0.02 0.02 -0.03 -0.04 3.22 3.18 1yh3A1 ARG 194 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.14 1yh3A1 ARG 195 H 0.02 0.34 -0.29 -0.55 8.46 7.98 1yh3A1 ARG 195 HA 0.03 0.06 0.33 -0.75 4.34 4.00 1yh3A1 ARG 195 HB2 0.01 0.04 0.16 -0.04 1.90 2.08 1yh3A1 ARG 195 HB3 0.03 -0.01 0.03 -0.04 1.80 1.81 1yh3A1 ARG 195 HG2 0.01 -0.01 0.01 -0.04 1.67 1.63 1yh3A1 ARG 195 HG3 -0.00 -0.00 0.04 -0.04 1.67 1.67 1yh3A1 ARG 195 HD2 -0.02 -0.04 -0.03 -0.04 3.22 3.09 1yh3A1 ARG 195 HD3 -0.04 -0.01 -0.03 -0.04 3.22 3.10 1yh3A1 PHE 196 H 0.21 0.41 -0.20 -0.55 8.34 8.21 1yh3A1 PHE 196 HA 0.02 0.05 0.34 -0.75 4.62 4.27 1yh3A1 PHE 196 HB2 0.04 0.07 0.13 -0.04 3.15 3.35 1yh3A1 PHE 196 HB3 0.05 -0.01 0.13 -0.04 3.06 3.19 1yh3A1 PHE 196 HD2 0.07 0.01 -0.06 -0.04 7.28 7.26 1yh3A1 PHE 196 HE2 0.14 0.01 -0.13 -0.04 7.38 7.36 1yh3A1 PHE 196 HZ 0.22 0.12 -0.38 -0.04 7.32 7.23 1yh3A1 ALA 197 H 0.14 0.56 -0.08 -0.55 8.40 8.47 1yh3A1 ALA 197 HA -0.07 -0.02 0.63 -0.75 4.34 4.13 1yh3A1 ALA 197 HB3 0.03 0.00 0.03 -0.04 1.41 1.43 1yh3A1 GLU 198 H 0.01 0.52 -0.19 -0.55 8.60 8.40 1yh3A1 GLU 198 HA -0.02 0.23 0.50 -0.75 4.29 4.24 1yh3A1 GLU 198 HB2 0.00 0.03 0.13 -0.04 2.09 2.21 1yh3A1 GLU 198 HB3 -0.01 -0.10 0.03 -0.04 1.99 1.87 1yh3A1 GLU 198 HG2 -0.00 0.01 0.08 -0.04 2.34 2.38 1yh3A1 GLU 198 HG3 0.00 0.07 0.09 -0.04 2.34 2.47 1yh3A1 ALA 199 H -0.07 0.25 -0.42 -0.55 8.40 7.62 1yh3A1 ALA 199 HA -0.05 0.02 0.57 -0.75 4.34 4.13 1yh3A1 ALA 199 HB3 -0.07 -0.02 0.11 -0.04 1.41 1.39 1yh3A1 ALA 200 H -0.13 0.39 -0.29 -0.55 8.40 7.83 1yh3A1 ALA 200 HA -0.13 0.04 0.32 -0.75 4.34 3.82 1yh3A1 ALA 200 HB3 -0.13 -0.01 0.09 -0.04 1.41 1.32 1yh3A1 CYS 201 H -0.05 0.61 0.21 -0.55 8.50 8.73 1yh3A1 CYS 201 HA -0.03 0.11 0.35 -0.75 4.58 4.26 1yh3A1 CYS 201 HB2 -0.02 0.01 0.12 -0.04 2.97 3.05 1yh3A1 CYS 201 HB3 -0.03 0.11 -0.20 -0.04 2.97 2.81 1yh3A1 ASP 202 H -0.02 0.58 0.25 -0.55 8.40 8.66 1yh3A1 ASP 202 HA -0.01 0.04 0.48 -0.75 4.63 4.39 1yh3A1 ASP 202 HB2 0.01 0.16 0.01 -0.04 2.71 2.85 1yh3A1 ASP 202 HB3 0.01 -0.03 0.23 -0.04 2.70 2.86 1yh3A1 VAL 203 H 0.00 0.15 0.31 -0.55 8.24 8.16 1yh3A1 VAL 203 HA -0.09 0.17 0.92 -0.75 4.13 4.38 1yh3A1 VAL 203 HB 0.02 0.04 0.18 -0.04 2.12 2.31 1yh3A1 VAL 203 HG13 -0.31 -0.01 -0.22 -0.04 0.97 0.39 1yh3A1 VAL 203 HG23 -0.02 -0.03 -0.05 -0.04 0.95 0.81 1yh3A1 VAL 204 H -0.17 0.65 0.37 -0.55 8.24 8.54 1yh3A1 VAL 204 HA -0.04 0.19 0.78 -0.75 4.13 4.31 1yh3A1 VAL 204 HB -0.07 -0.06 0.14 -0.04 2.12 2.10 1yh3A1 VAL 204 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 1yh3A1 VAL 204 HG23 -0.05 0.02 -0.25 -0.04 0.95 0.64 1yh3A1 HIS 205 H 0.01 0.62 0.31 -0.55 8.41 8.82 1yh3A1 HIS 205 HA -0.36 0.22 1.03 -0.75 4.63 4.77 1yh3A1 HIS 205 HB2 -0.46 0.02 0.10 -0.04 3.26 2.88 1yh3A1 HIS 205 HB3 -1.21 -0.07 0.01 -0.04 3.20 1.88 1yh3A1 HIS 205 HD2 -0.37 -0.05 -0.11 -0.04 6.97 6.40 1yh3A1 HIS 205 HE1 0.06 0.06 -0.09 -0.04 7.75 7.73 1yh3A1 VAL 206 H -0.39 0.69 0.31 -0.55 8.24 8.30 1yh3A1 VAL 206 HA -0.21 0.29 0.89 -0.75 4.13 4.34 1yh3A1 VAL 206 HB -0.27 0.07 -0.23 -0.04 2.12 1.65 1yh3A1 VAL 206 HG13 -0.16 -0.01 -0.20 -0.04 0.97 0.56 1yh3A1 VAL 206 HG23 -1.04 -0.04 -0.35 -0.04 0.95 -0.52 1yh3A1 MET 207 H -0.09 0.58 0.29 -0.55 8.47 8.69 1yh3A1 MET 207 HA -0.02 0.27 1.06 -0.75 4.52 5.07 1yh3A1 MET 207 HB2 0.03 0.08 0.16 -0.04 2.15 2.38 1yh3A1 MET 207 HB3 0.07 -0.15 0.07 -0.04 2.03 1.98 1yh3A1 MET 207 HG2 0.07 0.04 0.03 -0.04 2.63 2.73 1yh3A1 MET 207 HG3 0.23 0.05 -0.01 -0.04 2.56 2.78 1yh3A1 MET 207 HE3 0.12 0.04 -0.11 -0.04 2.10 2.11 1yh3A1 LEU 208 H 0.00 0.71 0.35 -0.55 8.37 8.89 1yh3A1 LEU 208 HA -0.01 0.16 0.96 -0.75 4.35 4.70 1yh3A1 LEU 208 HB2 0.01 -0.10 -0.10 -0.04 1.64 1.41 1yh3A1 LEU 208 HB3 0.02 0.18 -0.06 -0.04 1.64 1.75 1yh3A1 LEU 208 HG -0.10 -0.00 -0.42 -0.04 1.64 1.07 1yh3A1 LEU 208 HD13 0.08 0.00 -0.25 -0.04 0.93 0.72 1yh3A1 LEU 208 HD23 -0.16 0.05 -0.10 -0.04 0.89 0.64 1yh3A1 ASP 209 H 0.02 0.35 0.17 -0.55 8.40 8.40 1yh3A1 ASP 209 HA -0.00 0.09 0.65 -0.75 4.63 4.62 1yh3A1 ASP 209 HB2 0.03 0.14 0.00 -0.04 2.71 2.84 1yh3A1 ASP 209 HB3 0.02 0.01 0.25 -0.04 2.70 2.94 1yh3A1 GLY 210 H -0.05 0.66 0.37 -0.55 8.43 8.87 1yh3A1 GLY 210 HA2 -0.07 -0.00 0.37 -0.51 4.01 3.80 1yh3A1 GLY 210 HA3 -0.17 0.09 0.21 -0.51 4.01 3.63 1yh3A1 SER 211 H -0.04 0.11 -0.36 -0.55 8.46 7.62 1yh3A1 SER 211 HA -0.03 0.10 0.63 -0.75 4.49 4.43 1yh3A1 SER 211 HB2 -0.01 0.04 -0.02 -0.04 3.95 3.92 1yh3A1 SER 211 HB3 -0.01 0.03 0.07 -0.04 3.93 3.98 1yh3A1 ARG 212 H -0.02 0.33 -0.37 -0.55 8.46 7.85 1yh3A1 ARG 212 HA -0.01 0.12 0.00 -0.75 4.34 3.70 1yh3A1 ARG 212 HB2 -0.00 0.23 -0.01 -0.04 1.90 2.08 1yh3A1 ARG 212 HB3 -0.01 -0.02 -0.11 -0.04 1.80 1.62 1yh3A1 ARG 212 HG2 0.00 -0.02 0.06 -0.04 1.67 1.67 1yh3A1 ARG 212 HG3 -0.01 -0.02 0.04 -0.04 1.67 1.65 1yh3A1 ARG 212 HD2 -0.01 0.01 0.04 -0.04 3.22 3.22 1yh3A1 ARG 212 HD3 -0.00 -0.02 -0.14 -0.04 3.22 3.01 1yh3A1 SER 213 H -0.01 0.13 -0.34 -0.55 8.46 7.70 1yh3A1 SER 213 HA -0.01 0.00 0.33 -0.75 4.49 4.06 1yh3A1 SER 213 HB2 -0.00 -0.03 0.07 -0.04 3.95 3.94 1yh3A1 SER 213 HB3 -0.01 0.02 -0.32 -0.04 3.93 3.58 1yh3A1 LYS 214 H -0.01 0.55 -0.47 -0.55 8.42 7.93 1yh3A1 LYS 214 HA 0.00 0.12 0.52 -0.75 4.32 4.21 1yh3A1 LYS 214 HB2 -0.05 -0.03 0.03 -0.04 1.87 1.77 1yh3A1 LYS 214 HB3 -0.06 0.12 -0.08 -0.04 1.79 1.73 1yh3A1 LYS 214 HG2 -0.02 0.12 -0.13 -0.04 1.46 1.39 1yh3A1 LYS 214 HG3 -0.03 0.02 -0.07 -0.04 1.46 1.34 1yh3A1 LYS 214 HD2 -0.07 -0.11 0.04 -0.04 1.69 1.51 1yh3A1 LYS 214 HD3 -0.03 0.03 0.03 -0.04 1.68 1.67 1yh3A1 LYS 214 HE2 -0.02 0.04 -0.02 -0.04 2.99 2.95 1yh3A1 LYS 214 HE3 -0.03 0.00 -0.02 -0.04 2.99 2.90 1yh3A1 ILE 215 H 0.03 0.13 -0.21 -0.55 8.25 7.65 1yh3A1 ILE 215 HA 0.02 0.18 0.24 -0.75 4.18 3.87 1yh3A1 ILE 215 HB 0.06 -0.07 -0.04 -0.04 1.89 1.80 1yh3A1 ILE 215 HG12 -0.02 0.01 -0.05 -0.04 1.49 1.39 1yh3A1 ILE 215 HG13 0.00 -0.06 -0.12 -0.04 1.21 0.99 1yh3A1 ILE 215 HG23 0.03 0.02 -0.34 -0.04 0.93 0.60 1yh3A1 ILE 215 HD13 -0.03 0.01 -0.01 -0.04 0.88 0.81 1yh3A1 PHE 216 H 0.18 0.03 -0.17 -0.55 8.34 7.83 1yh3A1 PHE 216 HA 0.08 0.13 0.66 -0.75 4.62 4.74 1yh3A1 PHE 216 HB2 0.07 0.02 -0.10 -0.04 3.15 3.10 1yh3A1 PHE 216 HB3 0.02 0.00 -0.08 -0.04 3.06 2.95 1yh3A1 PHE 216 HD2 0.15 -0.01 -0.09 -0.04 7.28 7.28 1yh3A1 PHE 216 HE2 -0.16 0.03 -0.18 -0.04 7.38 7.03 1yh3A1 PHE 216 HZ -0.16 0.18 -0.07 -0.04 7.32 7.24 1yh3A1 ASP 217 H -0.24 0.20 -0.04 -0.55 8.40 7.76 1yh3A1 ASP 217 HA -0.31 0.19 0.84 -0.75 4.63 4.60 1yh3A1 ASP 217 HB2 -0.10 0.26 -0.16 -0.04 2.71 2.67 1yh3A1 ASP 217 HB3 -0.13 -0.09 0.09 -0.04 2.70 2.52 1yh3A1 LYS 218 H -0.39 0.24 0.10 -0.55 8.42 7.81 1yh3A1 LYS 218 HA -0.52 0.11 0.11 -0.75 4.32 3.27 1yh3A1 LYS 218 HB2 -0.10 0.14 0.02 -0.04 1.87 1.90 1yh3A1 LYS 218 HB3 -0.22 0.00 0.06 -0.04 1.79 1.59 1yh3A1 LYS 218 HG2 -0.13 -0.18 -0.01 -0.04 1.46 1.09 1yh3A1 LYS 218 HG3 -0.08 0.08 -0.31 -0.04 1.46 1.10 1yh3A1 LYS 218 HD2 -0.04 0.06 -0.03 -0.04 1.69 1.64 1yh3A1 LYS 218 HD3 -0.06 -0.03 -0.01 -0.04 1.68 1.54 1yh3A1 LYS 218 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.92 1yh3A1 LYS 218 HE3 -0.04 -0.04 -0.04 -0.04 2.99 2.83 1yh3A1 ASP 219 H -0.17 -0.02 -0.36 -0.55 8.40 7.30 1yh3A1 ASP 219 HA -0.08 0.21 0.54 -0.75 4.63 4.55 1yh3A1 ASP 219 HB2 -0.09 -0.06 -0.02 -0.04 2.71 2.50 1yh3A1 ASP 219 HB3 -0.08 0.02 0.04 -0.04 2.70 2.64 1yh3A1 SER 220 H -0.16 0.38 -0.23 -0.55 8.46 7.90 1yh3A1 SER 220 HA -0.17 0.12 0.43 -0.75 4.49 4.11 1yh3A1 SER 220 HB2 -0.10 -0.11 0.18 -0.04 3.95 3.89 1yh3A1 SER 220 HB3 -0.09 0.06 0.10 -0.04 3.93 3.95 1yh3A1 THR 221 H -0.19 0.12 0.19 -0.55 8.28 7.85 1yh3A1 THR 221 HA -0.12 0.19 0.50 -0.75 4.39 4.19 1yh3A1 THR 221 HB -0.23 -0.06 0.21 -0.04 4.32 4.19 1yh3A1 THR 221 HG23 -0.08 0.02 -0.04 -0.04 1.22 1.09 1yh3A1 PHE 222 H 0.02 0.06 -0.05 -0.55 8.34 7.82 1yh3A1 PHE 222 HA -0.08 0.04 0.46 -0.75 4.62 4.29 1yh3A1 PHE 222 HB2 -0.13 0.06 0.03 -0.04 3.15 3.06 1yh3A1 PHE 222 HB3 -0.04 -0.07 0.01 -0.04 3.06 2.92 1yh3A1 PHE 222 HD2 0.11 -0.05 -0.11 -0.04 7.28 7.18 1yh3A1 PHE 222 HE2 -0.02 0.05 -0.17 -0.04 7.38 7.20 1yh3A1 PHE 222 HZ -0.06 0.09 -0.18 -0.04 7.32 7.13 1yh3A1 GLY 223 H -0.01 0.03 -0.26 -0.55 8.43 7.64 1yh3A1 GLY 223 HA2 -0.03 0.07 0.44 -0.51 4.01 3.98 1yh3A1 GLY 223 HA3 -0.26 0.04 0.15 -0.51 4.01 3.42 1yh3A1 SER 224 H -0.08 0.25 -0.33 -0.55 8.46 7.76 1yh3A1 SER 224 HA 0.08 0.18 0.76 -0.75 4.49 4.76 1yh3A1 SER 224 HB2 0.02 -0.06 0.05 -0.04 3.95 3.91 1yh3A1 SER 224 HB3 -0.04 0.11 0.01 -0.04 3.93 3.97 1yh3A1 VAL 225 H -0.05 0.40 0.06 -0.55 8.24 8.10 1yh3A1 VAL 225 HA 0.05 0.36 1.18 -0.75 4.13 4.95 1yh3A1 VAL 225 HB 0.03 0.07 0.04 -0.04 2.12 2.21 1yh3A1 VAL 225 HG13 -0.01 -0.00 -0.02 -0.04 0.97 0.90 1yh3A1 VAL 225 HG23 0.02 0.01 -0.20 -0.04 0.95 0.74 1yh3A1 GLU 226 H -0.07 0.27 0.19 -0.55 8.60 8.44 1yh3A1 GLU 226 HA -0.01 0.13 0.22 -0.75 4.29 3.87 1yh3A1 GLU 226 HB2 0.01 -0.01 0.19 -0.04 2.09 2.24 1yh3A1 GLU 226 HB3 0.11 0.04 0.04 -0.04 1.99 2.14 1yh3A1 GLU 226 HG2 0.08 0.14 -0.01 -0.04 2.34 2.52 1yh3A1 GLU 226 HG3 0.02 -0.03 -0.02 -0.04 2.34 2.27 1yh3A1 VAL 227 H -0.41 0.41 -0.20 -0.55 8.24 7.49 1yh3A1 VAL 227 HA -0.31 0.06 0.06 -0.75 4.13 3.20 1yh3A1 VAL 227 HB -1.06 0.03 0.02 -0.04 2.12 1.06 1yh3A1 VAL 227 HG13 -0.66 -0.01 -0.24 -0.04 0.97 0.02 1yh3A1 VAL 227 HG23 -0.42 -0.01 -0.06 -0.04 0.95 0.42 1yh3A1 HIS 228 H -0.19 0.15 -0.60 -0.55 8.41 7.23 1yh3A1 HIS 228 HA -0.06 0.14 0.56 -0.75 4.63 4.51 1yh3A1 HIS 228 HB2 -0.05 0.09 -0.07 -0.04 3.26 3.19 1yh3A1 HIS 228 HB3 -0.03 -0.03 0.09 -0.04 3.20 3.19 1yh3A1 HIS 228 HD2 -0.04 0.05 -0.04 -0.04 6.97 6.89 1yh3A1 HIS 228 HE1 0.00 0.03 0.03 -0.04 7.75 7.76 1yh3A1 ASN 229 H -0.06 0.29 -0.44 -0.55 8.53 7.78 1yh3A1 ASN 229 HA 0.00 0.16 0.71 -0.75 4.76 4.88 1yh3A1 ASN 229 HB2 0.00 -0.03 0.04 -0.04 2.88 2.86 1yh3A1 ASN 229 HB3 0.01 -0.01 0.11 -0.04 2.79 2.85 1yh3A1 ASN 229 HD21 0.03 -0.09 -0.10 -0.04 7.03 6.83 1yh3A1 ASN 229 HD22 0.03 0.46 -0.09 -0.04 7.74 8.10 1yh3A1 LEU 230 H -0.06 0.15 -0.20 -0.55 8.37 7.71 1yh3A1 LEU 230 HA -0.03 0.17 0.57 -0.75 4.35 4.30 1yh3A1 LEU 230 HB2 -0.06 0.07 0.05 -0.04 1.64 1.66 1yh3A1 LEU 230 HB3 -0.04 0.01 -0.08 -0.04 1.64 1.49 1yh3A1 LEU 230 HG -0.05 0.15 -0.01 -0.04 1.64 1.69 1yh3A1 LEU 230 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.76 1yh3A1 LEU 230 HD23 -0.02 0.02 -0.05 -0.04 0.89 0.81 1yh3A1 GLN 231 H -0.03 0.24 0.16 -0.55 8.47 8.29 1yh3A1 GLN 231 HA -0.01 0.18 0.47 -0.75 4.36 4.24 1yh3A1 GLN 231 HB2 -0.02 -0.01 0.20 -0.04 2.15 2.27 1yh3A1 GLN 231 HB3 -0.01 -0.15 0.04 -0.04 2.02 1.86 1yh3A1 GLN 231 HG2 -0.02 0.16 0.18 -0.04 2.40 2.68 1yh3A1 GLN 231 HG3 -0.02 0.04 0.12 -0.04 2.39 2.50 1yh3A1 GLN 231 HE21 -0.00 -0.09 -0.10 -0.04 6.97 6.73 1yh3A1 GLN 231 HE22 -0.01 0.52 -0.24 -0.04 7.69 7.92 1yh3A1 PRO 232 HA -0.01 0.23 0.31 -0.51 4.44 4.45 1yh3A1 PRO 232 HB2 -0.01 -0.13 0.03 -0.04 2.28 2.13 1yh3A1 PRO 232 HB3 -0.01 0.28 0.10 -0.04 2.02 2.36 1yh3A1 PRO 232 HG2 -0.01 -0.06 0.11 -0.04 2.03 2.03 1yh3A1 PRO 232 HG3 -0.01 0.08 0.17 -0.04 2.03 2.23 1yh3A1 PRO 232 HD2 -0.01 -0.04 0.21 -0.04 3.68 3.80 1yh3A1 PRO 232 HD3 -0.01 0.34 0.32 -0.04 3.65 4.25 1yh3A1 GLU 233 H -0.01 0.05 -0.17 -0.55 8.60 7.92 1yh3A1 GLU 233 HA -0.01 0.11 0.54 -0.75 4.29 4.18 1yh3A1 GLU 233 HB2 -0.01 0.01 0.02 -0.04 2.09 2.07 1yh3A1 GLU 233 HB3 -0.01 -0.03 0.09 -0.04 1.99 2.00 1yh3A1 GLU 233 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 1yh3A1 GLU 233 HG3 -0.01 0.02 0.01 -0.04 2.34 2.32 1yh3A1 LYS 234 H -0.02 0.34 -0.28 -0.55 8.42 7.91 1yh3A1 LYS 234 HA -0.01 0.14 0.76 -0.75 4.32 4.45 1yh3A1 LYS 234 HB2 -0.02 0.10 0.15 -0.04 1.87 2.06 1yh3A1 LYS 234 HB3 -0.02 -0.09 0.05 -0.04 1.79 1.68 1yh3A1 LYS 234 HG2 -0.02 -0.02 -0.01 -0.04 1.46 1.36 1yh3A1 LYS 234 HG3 -0.01 -0.06 -0.13 -0.04 1.46 1.22 1yh3A1 LYS 234 HD2 -0.02 -0.08 -0.02 -0.04 1.69 1.53 1yh3A1 LYS 234 HD3 -0.02 -0.12 -0.00 -0.04 1.68 1.50 1yh3A1 LYS 234 HE2 -0.02 0.04 0.10 -0.04 2.99 3.06 1yh3A1 LYS 234 HE3 -0.03 0.19 0.06 -0.04 2.99 3.17 1yh3A1 VAL 235 H -0.02 0.54 0.08 -0.55 8.24 8.29 1yh3A1 VAL 235 HA -0.03 -0.02 0.39 -0.75 4.13 3.72 1yh3A1 VAL 235 HB -0.03 0.06 -0.13 -0.04 2.12 1.98 1yh3A1 VAL 235 HG13 -0.03 -0.03 -0.38 -0.04 0.97 0.49 1yh3A1 VAL 235 HG23 -0.03 -0.02 -0.20 -0.04 0.95 0.65 1yh3A1 GLN 236 H -0.03 0.71 0.36 -0.55 8.47 8.97 1yh3A1 GLN 236 HA -0.01 0.12 0.22 -0.75 4.36 3.93 1yh3A1 GLN 236 HB2 -0.01 -0.00 0.06 -0.04 2.15 2.15 1yh3A1 GLN 236 HB3 -0.02 -0.05 0.04 -0.04 2.02 1.95 1yh3A1 GLN 236 HG2 -0.01 -0.06 -0.08 -0.04 2.40 2.21 1yh3A1 GLN 236 HG3 -0.02 -0.01 -0.30 -0.04 2.39 2.02 1yh3A1 GLN 236 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 1yh3A1 GLN 236 HE22 -0.00 -0.04 -0.06 -0.04 7.69 7.55 1yh3A1 THR 237 H -0.04 0.40 0.17 -0.55 8.28 8.26 1yh3A1 THR 237 HA -0.03 0.29 0.76 -0.75 4.39 4.66 1yh3A1 THR 237 HB -0.08 -0.09 -0.11 -0.04 4.32 3.99 1yh3A1 THR 237 HG23 -0.11 -0.03 -0.45 -0.04 1.22 0.60 1yh3A1 LEU 238 H -0.01 0.69 0.26 -0.55 8.37 8.77 1yh3A1 LEU 238 HA -0.12 0.34 1.00 -0.75 4.35 4.81 1yh3A1 LEU 238 HB2 0.02 0.05 -0.05 -0.04 1.64 1.61 1yh3A1 LEU 238 HB3 0.11 0.03 0.10 -0.04 1.64 1.85 1yh3A1 LEU 238 HG 0.03 -0.06 -0.41 -0.04 1.64 1.16 1yh3A1 LEU 238 HD13 0.04 0.03 -0.18 -0.04 0.93 0.78 1yh3A1 LEU 238 HD23 0.23 -0.02 -0.16 -0.04 0.89 0.90 1yh3A1 GLU 239 H -0.33 0.68 0.32 -0.55 8.60 8.73 1yh3A1 GLU 239 HA -0.38 0.25 0.96 -0.75 4.29 4.36 1yh3A1 GLU 239 HB2 -0.21 0.00 -0.13 -0.04 2.09 1.70 1yh3A1 GLU 239 HB3 -0.49 0.02 0.05 -0.04 1.99 1.54 1yh3A1 GLU 239 HG2 0.15 -0.07 -0.41 -0.04 2.34 1.96 1yh3A1 GLU 239 HG3 0.01 0.02 -0.33 -0.04 2.34 1.99 1yh3A1 ALA 240 H -0.36 0.60 0.32 -0.55 8.40 8.42 1yh3A1 ALA 240 HA -0.16 0.25 0.90 -0.75 4.34 4.57 1yh3A1 ALA 240 HB3 0.09 -0.02 -0.00 -0.04 1.41 1.43 1yh3A1 TRP 241 H -0.06 0.76 0.39 -0.55 7.97 8.52 1yh3A1 TRP 241 HA -0.14 0.27 0.93 -0.75 4.62 4.92 1yh3A1 TRP 241 HB2 -0.19 -0.07 0.19 -0.04 3.23 3.11 1yh3A1 TRP 241 HB3 -0.30 -0.03 -0.04 -0.04 3.23 2.83 1yh3A1 TRP 241 HD1 -0.09 0.13 -0.43 -0.04 7.22 6.79 1yh3A1 TRP 241 HE1 0.09 0.03 -0.18 -0.04 10.20 10.10 1yh3A1 TRP 241 HE3 -0.46 -0.09 -0.09 -0.04 7.59 6.92 1yh3A1 TRP 241 HZ2 -0.25 0.05 -0.11 -0.04 7.44 7.10 1yh3A1 TRP 241 HZ3 -1.19 -0.01 -0.11 -0.04 7.13 5.77 1yh3A1 TRP 241 HH2 -0.25 0.06 -0.11 -0.04 7.19 6.84 1yh3A1 VAL 242 H 0.04 0.58 0.22 -0.55 8.24 8.54 1yh3A1 VAL 242 HA 0.01 0.14 0.75 -0.75 4.13 4.27 1yh3A1 VAL 242 HB -0.01 -0.07 0.11 -0.04 2.12 2.11 1yh3A1 VAL 242 HG13 -0.09 -0.00 -0.21 -0.04 0.97 0.62 1yh3A1 VAL 242 HG23 0.04 0.02 -0.21 -0.04 0.95 0.76 1yh3A1 ILE 243 H -0.02 0.82 0.44 -0.55 8.25 8.95 1yh3A1 ILE 243 HA -0.03 0.12 0.71 -0.75 4.18 4.23 1yh3A1 ILE 243 HB -0.01 -0.15 0.19 -0.04 1.89 1.88 1yh3A1 ILE 243 HG12 -0.00 0.12 0.04 -0.04 1.49 1.60 1yh3A1 ILE 243 HG13 -0.02 -0.07 -0.04 -0.04 1.21 1.04 1yh3A1 ILE 243 HG23 -0.02 0.06 -0.02 -0.04 0.93 0.91 1yh3A1 ILE 243 HD13 -0.12 -0.00 -0.18 -0.04 0.88 0.53 1yh3A1 HIS 244 H 0.14 0.66 0.33 -0.55 8.41 8.99 1yh3A1 HIS 244 HA -0.03 -0.09 0.48 -0.75 4.63 4.24 1yh3A1 HIS 244 HB2 -0.02 0.23 0.26 -0.04 3.26 3.68 1yh3A1 HIS 244 HB3 0.04 0.10 0.02 -0.04 3.20 3.32 1yh3A1 HIS 244 HD2 -0.24 0.10 -0.13 -0.04 6.97 6.65 1yh3A1 HIS 244 HE1 0.07 0.46 0.02 -0.04 7.75 8.25 1yh3A1 GLY 245 H 0.03 0.03 0.04 -0.55 8.43 7.98 1yh3A1 GLY 245 HA2 0.03 0.06 0.51 -0.51 4.01 4.10 1yh3A1 GLY 245 HA3 0.02 -0.12 0.40 -0.51 4.01 3.80 1yh3A1 GLY 246 H 0.03 0.00 0.06 -0.55 8.43 7.98 1yh3A1 GLY 246 HA2 0.04 0.22 0.65 -0.51 4.01 4.41 1yh3A1 GLY 246 HA3 0.03 -0.10 0.43 -0.51 4.01 3.86 1yh3A1 ARG 247 H 0.03 0.05 0.13 -0.55 8.46 8.11 1yh3A1 GLU 248 H 0.04 -0.07 -0.02 -0.55 8.60 8.01 1yh3A1 ASP 249 H 0.02 -0.03 0.17 -0.55 8.40 8.02 1yh3A1 SER 250 H 0.05 -0.15 0.05 -0.55 8.46 7.87 1yh3A1 SER 250 HA 0.12 -0.16 0.37 -0.75 4.49 4.06 1yh3A1 SER 250 HB2 0.22 0.21 -0.73 -0.04 3.95 3.60 1yh3A1 SER 250 HB3 0.50 0.11 -0.18 -0.04 3.93 4.32 1yh3A1 ARG 251 H 0.12 0.02 0.10 -0.55 8.46 8.14 1yh3A1 ARG 251 HA 0.10 0.08 0.45 -0.75 4.34 4.22 1yh3A1 ARG 251 HB2 0.07 -0.04 -0.02 -0.04 1.90 1.88 1yh3A1 ARG 251 HB3 0.07 0.06 -0.07 -0.04 1.80 1.81 1yh3A1 ARG 251 HG2 0.04 0.06 0.03 -0.04 1.67 1.76 1yh3A1 ARG 251 HG3 0.06 -0.06 0.08 -0.04 1.67 1.70 1yh3A1 ARG 251 HD2 0.03 0.04 0.02 -0.04 3.22 3.26 1yh3A1 ARG 251 HD3 0.03 -0.04 0.03 -0.04 3.22 3.21 1yh3A1 ASP 252 H 0.11 0.17 0.11 -0.55 8.40 8.24 1yh3A1 ASP 252 HA 0.22 0.15 0.76 -0.75 4.63 5.00 1yh3A1 ASP 252 HB2 0.13 0.12 0.13 -0.04 2.71 3.05 1yh3A1 ASP 252 HB3 0.09 0.01 0.21 -0.04 2.70 2.97 1yh3A1 LEU 253 H 0.12 0.29 0.06 -0.55 8.37 8.29 1yh3A1 LEU 253 HA 0.02 0.09 0.20 -0.75 4.35 3.90 1yh3A1 LEU 253 HB2 -0.09 0.02 0.01 -0.04 1.64 1.53 1yh3A1 LEU 253 HB3 -0.07 -0.04 0.05 -0.04 1.64 1.54 1yh3A1 LEU 253 HG -0.10 0.17 -0.11 -0.04 1.64 1.56 1yh3A1 LEU 253 HD13 -0.71 0.00 -0.06 -0.04 0.93 0.13 1yh3A1 LEU 253 HD23 -0.05 -0.01 -0.06 -0.04 0.89 0.72 1yh3A1 CYS 254 H 0.05 0.07 -0.35 -0.55 8.50 7.72 1yh3A1 CYS 254 HA 0.08 0.07 0.40 -0.75 4.58 4.37 1yh3A1 CYS 254 HB2 0.05 0.01 -0.08 -0.04 2.97 2.91 1yh3A1 CYS 254 HB3 0.08 0.10 -0.04 -0.04 2.97 3.06 1yh3A1 GLN 255 H 0.05 0.39 -0.46 -0.55 8.47 7.92 1yh3A1 GLN 255 HA 0.05 0.27 0.85 -0.75 4.36 4.77 1yh3A1 GLN 255 HB2 0.04 0.04 0.07 -0.04 2.15 2.26 1yh3A1 GLN 255 HB3 0.04 -0.00 0.11 -0.04 2.02 2.12 1yh3A1 GLN 255 HG2 0.05 -0.11 -0.25 -0.04 2.40 2.05 1yh3A1 GLN 255 HG3 0.04 -0.00 -0.03 -0.04 2.39 2.36 1yh3A1 GLN 255 HE21 0.06 0.03 -0.08 -0.04 6.97 6.93 1yh3A1 GLN 255 HE22 0.06 -0.08 -0.27 -0.04 7.69 7.37 1yh3A1 ASP 256 H 0.04 0.37 -0.36 -0.55 8.40 7.90 1yh3A1 ASP 256 HA 0.02 0.10 0.31 -0.75 4.63 4.31 1yh3A1 ASP 256 HB2 0.02 0.08 0.17 -0.04 2.71 2.94 1yh3A1 ASP 256 HB3 0.04 -0.10 0.09 -0.04 2.70 2.68 1yh3A1 PRO 257 HA 0.01 0.14 0.49 -0.51 4.44 4.57 1yh3A1 PRO 257 HB2 0.02 -0.03 0.10 -0.04 2.28 2.34 1yh3A1 PRO 257 HB3 0.02 0.08 0.09 -0.04 2.02 2.17 1yh3A1 PRO 257 HG2 0.01 0.05 0.11 -0.04 2.03 2.17 1yh3A1 PRO 257 HG3 0.01 0.11 0.12 -0.04 2.03 2.23 1yh3A1 PRO 257 HD2 0.02 0.05 0.24 -0.04 3.68 3.94 1yh3A1 PRO 257 HD3 0.02 0.22 0.20 -0.04 3.65 4.05 1yh3A1 THR 258 H 0.04 0.12 -0.14 -0.55 8.28 7.76 1yh3A1 THR 258 HA 0.11 0.15 0.50 -0.75 4.39 4.40 1yh3A1 THR 258 HB 0.21 0.19 0.13 -0.04 4.32 4.81 1yh3A1 THR 258 HG23 0.04 0.02 0.09 -0.04 1.22 1.32 1yh3A1 ILE 259 H 0.04 0.24 -0.35 -0.55 8.25 7.63 1yh3A1 ILE 259 HA -0.05 0.04 0.55 -0.75 4.18 3.97 1yh3A1 ILE 259 HB 0.05 0.24 -0.04 -0.04 1.89 2.10 1yh3A1 ILE 259 HG12 0.06 -0.17 -0.06 -0.04 1.49 1.28 1yh3A1 ILE 259 HG13 0.07 0.10 -0.06 -0.04 1.21 1.28 1yh3A1 ILE 259 HG23 0.17 -0.01 -0.09 -0.04 0.93 0.96 1yh3A1 ILE 259 HD13 0.11 -0.01 -0.17 -0.04 0.88 0.77 1yh3A1 LYS 260 H -0.02 0.37 -0.18 -0.55 8.42 8.04 1yh3A1 LYS 260 HA -0.11 0.07 0.39 -0.75 4.32 3.91 1yh3A1 LYS 260 HB2 -0.02 0.06 0.09 -0.04 1.87 1.97 1yh3A1 LYS 260 HB3 -0.03 -0.01 0.06 -0.04 1.79 1.77 1yh3A1 LYS 260 HG2 0.01 0.13 -0.16 -0.04 1.46 1.40 1yh3A1 LYS 260 HG3 0.01 0.02 -0.08 -0.04 1.46 1.37 1yh3A1 LYS 260 HD2 0.03 -0.01 -0.02 -0.04 1.69 1.65 1yh3A1 LYS 260 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 1yh3A1 LYS 260 HE2 -0.01 -0.07 -0.17 -0.04 2.99 2.69 1yh3A1 LYS 260 HE3 0.06 0.24 -0.06 -0.04 2.99 3.18 1yh3A1 GLU 261 H -0.03 0.25 -0.37 -0.55 8.60 7.90 1yh3A1 GLU 261 HA -0.04 0.07 0.37 -0.75 4.29 3.93 1yh3A1 GLU 261 HB2 0.05 0.06 0.09 -0.04 2.09 2.25 1yh3A1 GLU 261 HB3 0.13 0.09 0.11 -0.04 1.99 2.27 1yh3A1 GLU 261 HG2 0.05 -0.01 -0.17 -0.04 2.34 2.16 1yh3A1 GLU 261 HG3 0.06 0.00 -0.02 -0.04 2.34 2.33 1yh3A1 LEU 262 H -0.21 0.44 -0.12 -0.55 8.37 7.93 1yh3A1 LEU 262 HA -0.70 0.02 0.48 -0.75 4.35 3.40 1yh3A1 LEU 262 HB2 -0.70 0.08 0.16 -0.04 1.64 1.14 1yh3A1 LEU 262 HB3 -0.60 0.13 0.05 -0.04 1.64 1.17 1yh3A1 LEU 262 HG -1.29 -0.10 -0.07 -0.04 1.64 0.14 1yh3A1 LEU 262 HD13 -0.06 -0.01 -0.14 -0.04 0.93 0.69 1yh3A1 LEU 262 HD23 -0.63 0.01 -0.09 -0.04 0.89 0.13 1yh3A1 GLU 263 H -0.61 0.63 -0.24 -0.55 8.60 7.83 1yh3A1 GLU 263 HA -0.77 0.02 0.42 -0.75 4.29 3.21 1yh3A1 GLU 263 HB2 -0.76 0.01 0.06 -0.04 2.09 1.36 1yh3A1 GLU 263 HB3 -0.28 0.12 0.15 -0.04 1.99 1.94 1yh3A1 GLU 263 HG2 -0.09 0.02 -0.24 -0.04 2.34 1.98 1yh3A1 GLU 263 HG3 -0.04 -0.03 -0.00 -0.04 2.34 2.23 1yh3A1 SER 264 H -0.18 0.53 -0.06 -0.55 8.46 8.21 1yh3A1 SER 264 HA -0.08 0.04 0.46 -0.75 4.49 4.16 1yh3A1 SER 264 HB2 -0.04 -0.04 0.07 -0.04 3.95 3.90 1yh3A1 SER 264 HB3 -0.06 0.01 0.13 -0.04 3.93 3.96 1yh3A1 ILE 265 H -0.14 0.70 -0.11 -0.55 8.25 8.15 1yh3A1 ILE 265 HA -0.04 -0.01 0.52 -0.75 4.18 3.90 1yh3A1 ILE 265 HB -0.20 0.07 0.17 -0.04 1.89 1.89 1yh3A1 ILE 265 HG12 0.03 -0.04 0.01 -0.04 1.49 1.45 1yh3A1 ILE 265 HG13 -0.01 0.11 0.01 -0.04 1.21 1.28 1yh3A1 ILE 265 HG23 -0.05 -0.01 -0.21 -0.04 0.93 0.62 1yh3A1 ILE 265 HD13 0.16 -0.03 -0.07 -0.04 0.88 0.90 1yh3A1 ILE 266 H -0.19 0.55 -0.17 -0.55 8.25 7.89 1yh3A1 ILE 266 HA -0.09 0.07 0.44 -0.75 4.18 3.85 1yh3A1 ILE 266 HB -0.05 -0.01 0.05 -0.04 1.89 1.84 1yh3A1 ILE 266 HG12 -0.17 0.02 0.06 -0.04 1.49 1.36 1yh3A1 ILE 266 HG13 -0.04 0.18 -0.08 -0.04 1.21 1.23 1yh3A1 ILE 266 HG23 -0.18 0.05 -0.01 -0.04 0.93 0.74 1yh3A1 ILE 266 HD13 0.14 -0.06 -0.21 -0.04 0.88 0.71 1yh3A1 SER 267 H -0.07 0.43 -0.17 -0.55 8.46 8.10 1yh3A1 SER 267 HA -0.01 0.15 0.41 -0.75 4.49 4.28 1yh3A1 SER 267 HB2 -0.03 0.04 0.05 -0.04 3.95 3.97 1yh3A1 SER 267 HB3 -0.01 -0.08 0.01 -0.04 3.93 3.80 1yh3A1 LYS 268 H -0.03 0.37 -0.21 -0.55 8.42 8.00 1yh3A1 LYS 268 HA -0.01 0.00 0.67 -0.75 4.32 4.23 1yh3A1 LYS 268 HB2 -0.01 0.04 0.16 -0.04 1.87 2.02 1yh3A1 LYS 268 HB3 -0.00 0.06 0.01 -0.04 1.79 1.82 1yh3A1 LYS 268 HG2 -0.00 -0.02 0.13 -0.04 1.46 1.53 1yh3A1 LYS 268 HG3 -0.00 -0.06 0.06 -0.04 1.46 1.41 1yh3A1 LYS 268 HD2 0.00 -0.03 0.01 -0.04 1.69 1.63 1yh3A1 LYS 268 HD3 0.00 0.06 -0.06 -0.04 1.68 1.64 1yh3A1 LYS 268 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.97 1yh3A1 LYS 268 HE3 -0.00 -0.05 0.01 -0.04 2.99 2.91 1yh3A1 ARG 269 H -0.02 0.34 -0.25 -0.55 8.46 7.97 1yh3A1 ARG 269 HA -0.01 0.05 0.66 -0.75 4.34 4.28 1yh3A1 ARG 269 HB2 -0.03 0.14 0.13 -0.04 1.90 2.10 1yh3A1 ARG 269 HB3 -0.02 -0.01 0.12 -0.04 1.80 1.85 1yh3A1 ARG 269 HG2 -0.00 -0.05 0.04 -0.04 1.67 1.62 1yh3A1 ARG 269 HG3 -0.01 -0.03 0.02 -0.04 1.67 1.61 1yh3A1 ARG 269 HD2 -0.07 0.02 0.06 -0.04 3.22 3.18 1yh3A1 ARG 269 HD3 -0.03 0.22 0.03 -0.04 3.22 3.40 1yh3A1 ASN 270 H -0.01 0.26 -0.93 -0.55 8.53 7.30 1yh3A1 ASN 270 HA -0.01 0.03 0.22 -0.75 4.76 4.25 1yh3A1 ASN 270 HB2 -0.01 -0.05 -0.27 -0.04 2.88 2.51 1yh3A1 ASN 270 HB3 -0.01 0.14 0.20 -0.04 2.79 3.08 1yh3A1 ASN 270 HD21 -0.00 -0.10 0.02 -0.04 7.03 6.90 1yh3A1 ASN 270 HD22 -0.00 0.02 0.00 -0.04 7.74 7.72 1yh3A1 ILE 271 H -0.01 0.36 -0.23 -0.55 8.25 7.82 1yh3A1 ILE 271 HA -0.01 0.29 0.67 -0.75 4.18 4.38 1yh3A1 ILE 271 HB -0.01 -0.07 -0.08 -0.04 1.89 1.69 1yh3A1 ILE 271 HG12 -0.02 0.32 -0.25 -0.04 1.49 1.50 1yh3A1 ILE 271 HG13 -0.02 0.11 -0.41 -0.04 1.21 0.85 1yh3A1 ILE 271 HG23 0.00 0.00 -0.35 -0.04 0.93 0.54 1yh3A1 ILE 271 HD13 -0.03 -0.04 -0.24 -0.04 0.88 0.52 1yh3A1 GLN 272 H 0.00 0.64 0.33 -0.55 8.47 8.90 1yh3A1 GLN 272 HA 0.04 0.06 0.66 -0.75 4.36 4.37 1yh3A1 GLN 272 HB2 -0.00 0.14 0.14 -0.04 2.15 2.39 1yh3A1 GLN 272 HB3 0.01 -0.07 -0.00 -0.04 2.02 1.92 1yh3A1 GLN 272 HG2 0.01 -0.06 0.03 -0.04 2.40 2.35 1yh3A1 GLN 272 HG3 0.01 0.11 0.03 -0.04 2.39 2.49 1yh3A1 GLN 272 HE21 0.00 -0.05 -0.03 -0.04 6.97 6.85 1yh3A1 GLN 272 HE22 -0.00 -0.02 -0.05 -0.04 7.69 7.57 1yh3A1 PHE 273 H 0.12 0.16 0.19 -0.55 8.34 8.26 1yh3A1 PHE 273 HA -0.05 0.33 1.12 -0.75 4.62 5.27 1yh3A1 PHE 273 HB2 -0.05 0.10 -0.07 -0.04 3.15 3.09 1yh3A1 PHE 273 HB3 -0.03 -0.06 0.10 -0.04 3.06 3.02 1yh3A1 PHE 273 HD2 -0.05 0.03 -0.09 -0.04 7.28 7.13 1yh3A1 PHE 273 HE2 -0.05 -0.07 -0.15 -0.04 7.38 7.08 1yh3A1 PHE 273 HZ -0.04 -0.14 -0.07 -0.04 7.32 7.03 1yh3A1 SER 274 H -0.79 0.62 0.41 -0.55 8.46 8.15 1yh3A1 SER 274 HA -0.26 0.15 0.73 -0.75 4.49 4.35 1yh3A1 SER 274 HB2 -0.12 0.06 -0.03 -0.04 3.95 3.82 1yh3A1 SER 274 HB3 -0.22 0.02 -0.04 -0.04 3.93 3.65 1yh3A1 CYS 275 H -0.16 0.28 0.18 -0.55 8.50 8.26 1yh3A1 CYS 275 HA -0.18 0.26 0.97 -0.75 4.58 4.87 1yh3A1 CYS 275 HB2 -0.12 0.07 -0.21 -0.04 2.97 2.67 1yh3A1 CYS 275 HB3 0.04 -0.01 -0.01 -0.04 2.97 2.95 1yh3A1 LYS 276 H 0.05 0.51 0.28 -0.55 8.42 8.70 1yh3A1 LYS 276 HA -0.02 0.13 0.81 -0.75 4.32 4.49 1yh3A1 LYS 276 HB2 0.18 0.08 -0.04 -0.04 1.87 2.04 1yh3A1 LYS 276 HB3 -0.13 -0.05 -0.08 -0.04 1.79 1.49 1yh3A1 LYS 276 HG2 -0.09 0.01 0.02 -0.04 1.46 1.36 1yh3A1 LYS 276 HG3 0.00 0.04 -0.08 -0.04 1.46 1.38 1yh3A1 LYS 276 HD2 -0.04 0.03 -0.07 -0.04 1.69 1.57 1yh3A1 LYS 276 HD3 -0.01 0.00 -0.13 -0.04 1.68 1.50 1yh3A1 LYS 276 HE2 -0.64 -0.04 -0.11 -0.04 2.99 2.15 1yh3A1 LYS 276 HE3 -0.28 0.01 -0.05 -0.04 2.99 2.63 1yh3A1 ASN 277 H -0.10 0.17 0.15 -0.55 8.53 8.21 1yh3A1 ASN 277 HA -0.11 0.06 0.75 -0.75 4.76 4.71 1yh3A1 ASN 277 HB2 -0.52 0.04 0.17 -0.04 2.88 2.52 1yh3A1 ASN 277 HB3 -1.36 0.06 -0.07 -0.04 2.79 1.39 1yh3A1 ASN 277 HD21 0.05 -0.23 0.03 -0.04 7.03 6.84 1yh3A1 ASN 277 HD22 -0.01 0.12 0.08 -0.04 7.74 7.89 1yh3A1 ILE 278 H -0.13 0.79 0.24 -0.55 8.25 8.60 1yh3A1 ILE 278 HA -0.29 0.20 0.94 -0.75 4.18 4.28 1yh3A1 ILE 278 HB -0.26 -0.03 0.06 -0.04 1.89 1.61 1yh3A1 ILE 278 HG12 -0.63 0.09 -0.11 -0.04 1.49 0.80 1yh3A1 ILE 278 HG13 -0.42 -0.03 -0.27 -0.04 1.21 0.46 1yh3A1 ILE 278 HG23 -0.33 -0.01 -0.18 -0.04 0.93 0.37 1yh3A1 ILE 278 HD13 -1.55 0.01 -0.10 -0.04 0.88 -0.80 1yh3A1 TYR 279 H -0.14 0.24 -0.03 -0.55 8.29 7.81 1yh3A1 TYR 279 HA -0.55 0.04 0.24 -0.75 4.56 3.53 1yh3A1 TYR 279 HB2 -0.16 -0.03 0.09 -0.04 3.06 2.91 1yh3A1 TYR 279 HB3 -0.18 0.11 -0.03 -0.04 2.98 2.84 1yh3A1 TYR 279 HD2 -0.38 0.02 -0.01 -0.04 7.15 6.75 1yh3A1 TYR 279 HE2 -0.09 0.07 -0.04 -0.04 6.85 6.75 1yh3A1 ARG 280 H 0.01 0.01 -0.19 -0.55 8.46 7.75 1yh3A1 PRO 281 HA 0.06 0.03 0.27 -0.51 4.44 4.29 1yh3A1 PRO 281 HB2 0.05 0.02 0.02 -0.04 2.28 2.32 1yh3A1 PRO 281 HB3 0.02 -0.01 0.08 -0.04 2.02 2.07 1yh3A1 PRO 281 HG2 0.03 0.08 0.12 -0.04 2.03 2.22 1yh3A1 PRO 281 HG3 0.02 0.13 0.12 -0.04 2.03 2.27 1yh3A1 PRO 281 HD2 0.04 0.17 0.20 -0.04 3.68 4.05 1yh3A1 PRO 281 HD3 0.04 0.31 -0.21 -0.04 3.65 3.75 1yh3A1 ASP 282 H 0.05 0.19 -0.12 -0.55 8.40 7.96 1yh3A1 ASP 282 HA 0.06 0.14 0.63 -0.75 4.63 4.70 1yh3A1 ASP 282 HB2 0.02 0.05 0.06 -0.04 2.71 2.81 1yh3A1 ASP 282 HB3 0.03 0.01 0.04 -0.04 2.70 2.74 1yh3A1 LYS 283 H 0.04 0.12 -0.22 -0.55 8.42 7.81 1yh3A1 LYS 283 HA 0.01 0.12 0.70 -0.75 4.32 4.40 1yh3A1 LYS 283 HB2 0.01 0.03 0.08 -0.04 1.87 1.94 1yh3A1 LYS 283 HB3 0.03 0.00 0.12 -0.04 1.79 1.90 1yh3A1 LYS 283 HG2 0.03 -0.01 -0.26 -0.04 1.46 1.19 1yh3A1 LYS 283 HG3 0.01 -0.03 -0.08 -0.04 1.46 1.32 1yh3A1 LYS 283 HD2 -0.00 0.03 -0.03 -0.04 1.69 1.65 1yh3A1 LYS 283 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 1yh3A1 LYS 283 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 1yh3A1 LYS 283 HE3 0.02 -0.06 -0.04 -0.04 2.99 2.86 1yh3A1 PHE 284 H 0.14 0.58 -0.03 -0.55 8.34 8.48 1yh3A1 PHE 284 HA -0.08 0.03 0.47 -0.75 4.62 4.28 1yh3A1 PHE 284 HB2 -0.13 -0.07 0.03 -0.04 3.15 2.94 1yh3A1 PHE 284 HB3 -0.07 0.10 0.17 -0.04 3.06 3.21 1yh3A1 PHE 284 HD2 -0.16 -0.00 -0.04 -0.04 7.28 7.03 1yh3A1 PHE 284 HE2 -0.48 0.01 -0.08 -0.04 7.38 6.79 1yh3A1 PHE 284 HZ -1.13 0.03 -0.09 -0.04 7.32 6.09 1yh3A1 LEU 285 H 0.12 0.57 -0.06 -0.55 8.37 8.45 1yh3A1 LEU 285 HA -0.21 0.02 0.31 -0.75 4.35 3.71 1yh3A1 LEU 285 HB2 0.05 0.08 0.17 -0.04 1.64 1.91 1yh3A1 LEU 285 HB3 -0.00 0.05 -0.11 -0.04 1.64 1.53 1yh3A1 LEU 285 HG 0.14 -0.04 -0.01 -0.04 1.64 1.69 1yh3A1 LEU 285 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 1yh3A1 LEU 285 HD23 0.10 -0.01 -0.13 -0.04 0.89 0.82 1yh3A1 GLN 286 H -0.02 0.44 -0.25 -0.55 8.47 8.10 1yh3A1 GLN 286 HA -0.04 0.02 0.54 -0.75 4.36 4.11 1yh3A1 GLN 286 HB2 -0.01 0.06 0.18 -0.04 2.15 2.34 1yh3A1 GLN 286 HB3 -0.02 0.02 0.20 -0.04 2.02 2.18 1yh3A1 GLN 286 HG2 -0.01 -0.06 0.03 -0.04 2.40 2.31 1yh3A1 GLN 286 HG3 -0.03 0.04 -0.02 -0.04 2.39 2.34 1yh3A1 GLN 286 HE21 -0.02 0.00 -0.00 -0.04 6.97 6.90 1yh3A1 GLN 286 HE22 -0.02 0.02 0.01 -0.04 7.69 7.65 1yh3A1 CYS 287 H -0.10 0.56 -0.18 -0.55 8.50 8.24 1yh3A1 CYS 287 HA -0.06 0.13 0.21 -0.75 4.58 4.10 1yh3A1 CYS 287 HB2 -0.11 0.08 0.19 -0.04 2.97 3.10 1yh3A1 CYS 287 HB3 -0.08 -0.05 -0.01 -0.04 2.97 2.79 1yh3A1 VAL 288 H -0.28 0.44 -0.15 -0.55 8.24 7.70 1yh3A1 VAL 288 HA -0.15 -0.02 0.35 -0.75 4.13 3.56 1yh3A1 VAL 288 HB -0.24 0.08 0.14 -0.04 2.12 2.06 1yh3A1 VAL 288 HG13 -0.14 -0.01 -0.07 -0.04 0.97 0.71 1yh3A1 VAL 288 HG23 -0.70 0.01 -0.04 -0.04 0.95 0.18 1yh3A1 LYS 289 H -0.10 0.46 -0.20 -0.55 8.42 8.02 1yh3A1 LYS 289 HA -0.08 0.06 0.37 -0.75 4.32 3.92 1yh3A1 LYS 289 HB2 -0.05 -0.01 -0.08 -0.04 1.87 1.69 1yh3A1 LYS 289 HB3 -0.05 -0.05 0.09 -0.04 1.79 1.74 1yh3A1 LYS 289 HG2 -0.07 -0.02 0.05 -0.04 1.46 1.38 1yh3A1 LYS 289 HG3 -0.05 0.04 0.06 -0.04 1.46 1.46 1yh3A1 LYS 289 HD2 -0.03 -0.05 -0.03 -0.04 1.69 1.54 1yh3A1 LYS 289 HD3 -0.04 0.01 -0.01 -0.04 1.68 1.60 1yh3A1 LYS 289 HE2 -0.03 -0.00 -0.07 -0.04 2.99 2.85 1yh3A1 LYS 289 HE3 -0.03 -0.04 -0.20 -0.04 2.99 2.69 1yh3A1 ASN 290 H -0.06 0.35 -0.40 -0.55 8.53 7.87 1yh3A1 ASN 290 HA -0.03 0.10 0.79 -0.75 4.76 4.86 1yh3A1 GLU 292 H -0.02 0.02 0.13 -0.55 8.60 8.19 1yh3A1 ASP 293 H -0.01 0.09 0.07 -0.55 8.40 8.00 1yh3A1 SER 294 H -0.01 0.04 -0.18 -0.55 8.46 7.77 1yh3A1 SER 295 H -0.01 0.57 0.00 -0.55 8.46 8.47 1yh3A1 CYS 296 H -0.01 0.14 -0.03 -0.55 8.50 8.05 1yh3A1 CYS 296 HA -0.01 0.04 0.13 -0.75 4.58 3.98 1yh3A1 CYS 296 HB2 -0.01 0.18 -0.20 -0.04 2.97 2.89 1yh3A1 CYS 296 HB3 -0.01 -0.03 0.02 -0.04 2.97 2.92