============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 25 1.000 13.746 17.622 -19.788 -99.200 -91.000 TYR 26 0.840 15.938 22.486 -12.123 -99.200 -91.000 TYR 30 0.840 7.403 25.019 -10.667 -99.200 -91.000 PHE 32 1.000 3.882 16.405 -16.863 -99.200 -91.000 HIS 34 0.900 3.793 22.890 -9.682 -99.200 -91.000 PHE 40 1.000 4.600 20.766 -19.917 -99.200 -91.000 TYR 52 0.840 9.844 37.521 -31.792 -99.200 -91.000 TRP 61 1.040 10.671 33.950 -22.309 -99.200 -91.000 TRP6 61 1.020 8.714 35.065 -21.648 -99.200 -91.000 TRP 62 1.040 12.073 29.348 -22.416 -99.200 -91.000 TRP6 62 1.020 10.154 28.196 -23.162 -99.200 -91.000 TRP 63 1.040 14.031 28.618 -14.274 -99.200 -91.000 TRP6 63 1.020 12.918 26.853 -13.167 -99.200 -91.000 PHE 65 1.000 5.801 28.844 -20.356 -99.200 -91.000 TYR 68 0.840 0.897 35.051 -16.049 -99.200 -91.000 PHE 69 1.000 0.812 30.984 -18.977 -99.200 -91.000 TRP 78 1.040 -4.637 37.149 -28.597 -99.200 -91.000 TRP6 78 1.020 -6.750 38.154 -28.866 -99.200 -91.000 TYR 81 0.840 1.902 33.662 -23.658 -99.200 -91.000 PHE 84 1.000 4.112 35.646 -18.870 -99.200 -91.000 PHE 108 1.000 -1.099 23.739 -35.622 -99.200 -91.000 TYR 120 0.840 1.188 18.270 -35.580 -99.200 -91.000 TYR 121 0.840 7.941 13.132 -28.338 -99.200 -91.000 TRP 128 1.040 11.038 23.043 -39.488 -99.200 -91.000 TRP6 128 1.020 12.352 21.888 -41.060 -99.200 -91.000 PHE 146 1.000 13.964 27.896 -27.828 -99.200 -91.000 PHE 151 1.000 5.377 18.882 -30.036 -99.200 -91.000 TYR 153 0.840 14.487 20.381 -24.128 -99.200 -91.000 PHE 159 1.000 2.538 13.119 -25.409 -99.200 -91.000 PHE 162 1.000 15.517 10.893 -27.047 -99.200 -91.000 TYR 165 0.840 14.707 17.733 -30.268 -99.200 -91.000 PHE 192 1.000 30.972 23.642 -38.943 -99.200 -91.000 TRP 193 1.040 27.074 24.430 -35.860 -99.200 -91.000 TRP6 193 1.020 28.463 23.053 -34.528 -99.200 -91.000 HIS 206 0.900 18.491 15.155 -29.717 -99.200 -91.000 TRP 212 1.040 22.760 27.395 -26.714 -99.200 -91.000 TRP6 212 1.020 22.782 29.712 -26.261 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1xg7B1 GLU 3 HA 0.02 0.00 0.21 -0.75 4.29 3.77 1xg7B1 LEU 4 H 0.03 0.24 0.10 -0.55 8.37 8.20 1xg7B1 LEU 4 HA 0.07 0.08 0.54 -0.75 4.35 4.28 1xg7B1 LEU 4 HB2 0.07 0.08 0.11 -0.04 1.64 1.86 1xg7B1 LEU 4 HB3 0.02 -0.02 0.09 -0.04 1.64 1.69 1xg7B1 LEU 4 HG 0.13 -0.04 -0.17 -0.04 1.64 1.52 1xg7B1 LEU 4 HD13 0.24 0.01 -0.01 -0.04 0.93 1.13 1xg7B1 LEU 4 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.78 1xg7B1 VAL 5 H 0.00 0.20 -0.09 -0.55 8.24 7.80 1xg7B1 VAL 5 HA 0.01 0.08 0.41 -0.75 4.13 3.88 1xg7B1 VAL 5 HB -0.01 0.04 0.02 -0.04 2.12 2.12 1xg7B1 VAL 5 HG13 -0.01 0.01 -0.25 -0.04 0.97 0.68 1xg7B1 VAL 5 HG23 -0.07 0.01 0.02 -0.04 0.95 0.86 1xg7B1 GLU 6 H 0.02 0.14 -0.49 -0.55 8.60 7.73 1xg7B1 GLU 6 HA 0.02 0.10 0.22 -0.75 4.29 3.87 1xg7B1 GLU 6 HB2 0.02 0.10 0.10 -0.04 2.09 2.27 1xg7B1 GLU 6 HB3 0.01 0.00 -0.03 -0.04 1.99 1.93 1xg7B1 GLU 6 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.29 1xg7B1 GLU 6 HG3 0.01 0.01 0.00 -0.04 2.34 2.33 1xg7B1 ILE 7 H 0.03 0.48 -0.10 -0.55 8.25 8.11 1xg7B1 ILE 7 HA 0.03 0.04 0.43 -0.75 4.18 3.92 1xg7B1 ILE 7 HB 0.06 0.05 0.14 -0.04 1.89 2.09 1xg7B1 ILE 7 HG12 0.03 -0.04 0.01 -0.04 1.49 1.44 1xg7B1 ILE 7 HG13 0.03 0.15 0.09 -0.04 1.21 1.44 1xg7B1 ILE 7 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 1xg7B1 ILE 7 HD13 0.04 -0.03 -0.17 -0.04 0.88 0.69 1xg7B1 ILE 8 H 0.06 0.51 -0.11 -0.55 8.25 8.17 1xg7B1 ILE 8 HA 0.06 -0.03 0.37 -0.75 4.18 3.83 1xg7B1 ILE 8 HB 0.08 0.12 0.12 -0.04 1.89 2.18 1xg7B1 ILE 8 HG12 0.12 -0.06 -0.00 -0.04 1.49 1.51 1xg7B1 ILE 8 HG13 0.13 0.06 0.08 -0.04 1.21 1.43 1xg7B1 ILE 8 HG23 0.10 -0.01 -0.16 -0.04 0.93 0.81 1xg7B1 ILE 8 HD13 0.31 -0.02 -0.08 -0.04 0.88 1.04 1xg7B1 LYS 9 H 0.03 0.61 -0.18 -0.55 8.42 8.33 1xg7B1 LYS 9 HA 0.03 0.09 0.43 -0.75 4.32 4.11 1xg7B1 LYS 9 HB2 0.02 0.08 0.19 -0.04 1.87 2.13 1xg7B1 LYS 9 HB3 0.02 0.03 0.07 -0.04 1.79 1.87 1xg7B1 LYS 9 HG2 0.01 -0.07 0.12 -0.04 1.46 1.48 1xg7B1 LYS 9 HG3 0.02 0.19 0.16 -0.04 1.46 1.79 1xg7B1 LYS 9 HD2 0.01 -0.02 0.00 -0.04 1.69 1.64 1xg7B1 LYS 9 HD3 0.01 -0.05 -0.05 -0.04 1.68 1.55 1xg7B1 LYS 9 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 1xg7B1 LYS 9 HE3 0.01 0.05 -0.01 -0.04 2.99 3.00 1xg7B1 GLY 10 H 0.02 0.40 -0.31 -0.55 8.43 8.00 1xg7B1 GLY 10 HA2 0.01 -0.02 0.42 -0.51 4.01 3.92 1xg7B1 GLY 10 HA3 0.01 -0.02 0.31 -0.51 4.01 3.81 1xg7B1 ILE 11 H 0.02 0.52 -0.03 -0.55 8.25 8.21 1xg7B1 ILE 11 HA 0.00 -0.04 0.56 -0.75 4.18 3.94 1xg7B1 ILE 11 HB 0.03 0.10 0.15 -0.04 1.89 2.12 1xg7B1 ILE 11 HG12 0.02 -0.07 -0.02 -0.04 1.49 1.37 1xg7B1 ILE 11 HG13 0.02 0.08 0.01 -0.04 1.21 1.28 1xg7B1 ILE 11 HG23 0.01 0.00 -0.16 -0.04 0.93 0.74 1xg7B1 ILE 11 HD13 0.04 -0.02 -0.20 -0.04 0.88 0.66 1xg7B1 GLY 12 H 0.02 0.63 -0.01 -0.55 8.43 8.52 1xg7B1 GLY 12 HA2 0.01 0.17 0.26 -0.51 4.01 3.94 1xg7B1 GLY 12 HA3 -0.01 0.08 0.23 -0.51 4.01 3.80 1xg7B1 ILE 13 H -0.02 0.27 0.15 -0.55 8.25 8.10 1xg7B1 ILE 13 HA -0.15 0.04 0.56 -0.75 4.18 3.89 1xg7B1 ILE 13 HB -0.01 0.04 0.18 -0.04 1.89 2.05 1xg7B1 ILE 13 HG12 -0.05 -0.08 0.13 -0.04 1.49 1.45 1xg7B1 ILE 13 HG13 0.02 0.07 0.15 -0.04 1.21 1.41 1xg7B1 ILE 13 HG23 -0.05 -0.00 -0.05 -0.04 0.93 0.79 1xg7B1 ILE 13 HD13 0.07 0.02 0.12 -0.04 0.88 1.05 1xg7B1 GLU 14 H -0.07 0.17 -0.05 -0.55 8.60 8.11 1xg7B1 GLU 14 HA -0.21 0.06 0.32 -0.75 4.29 3.71 1xg7B1 GLU 14 HB2 -0.07 0.10 0.09 -0.04 2.09 2.18 1xg7B1 GLU 14 HB3 -0.10 0.01 0.04 -0.04 1.99 1.90 1xg7B1 GLU 14 HG2 -0.05 -0.02 0.07 -0.04 2.34 2.29 1xg7B1 GLU 14 HG3 -0.06 0.04 0.04 -0.04 2.34 2.32 1xg7B1 GLY 15 H -0.06 0.42 -0.35 -0.55 8.43 7.89 1xg7B1 GLY 15 HA2 -0.06 -0.01 0.49 -0.51 4.01 3.91 1xg7B1 GLY 15 HA3 -0.03 0.16 0.24 -0.51 4.01 3.86 1xg7B1 ALA 16 H -0.05 0.51 -0.21 -0.55 8.40 8.10 1xg7B1 ALA 16 HA 0.02 0.02 0.41 -0.75 4.34 4.03 1xg7B1 ALA 16 HB3 0.03 0.04 0.08 -0.04 1.41 1.52 1xg7B1 LYS 17 H -0.19 0.62 -0.22 -0.55 8.42 8.08 1xg7B1 LYS 17 HA -0.17 -0.02 0.32 -0.75 4.32 3.69 1xg7B1 LYS 17 HB2 -0.58 0.05 0.06 -0.04 1.87 1.36 1xg7B1 LYS 17 HB3 -0.35 0.19 0.05 -0.04 1.79 1.65 1xg7B1 LYS 17 HG2 -0.41 -0.01 -0.17 -0.04 1.46 0.84 1xg7B1 LYS 17 HG3 -0.79 -0.03 -0.03 -0.04 1.46 0.57 1xg7B1 LYS 17 HD2 -1.30 -0.03 -0.07 -0.04 1.69 0.26 1xg7B1 LYS 17 HD3 -0.47 0.03 -0.04 -0.04 1.68 1.16 1xg7B1 LYS 17 HE2 -0.67 -0.02 -0.07 -0.04 2.99 2.18 1xg7B1 LYS 17 HE3 -0.37 -0.00 -0.05 -0.04 2.99 2.53 1xg7B1 GLU 18 H -0.14 0.36 -0.31 -0.55 8.60 7.96 1xg7B1 GLU 18 HA -0.16 0.07 0.47 -0.75 4.29 3.91 1xg7B1 GLU 18 HB2 -0.08 0.07 0.13 -0.04 2.09 2.18 1xg7B1 GLU 18 HB3 -0.08 -0.05 0.03 -0.04 1.99 1.85 1xg7B1 GLU 18 HG2 -0.12 0.29 0.11 -0.04 2.34 2.59 1xg7B1 GLU 18 HG3 -0.08 -0.08 0.04 -0.04 2.34 2.17 1xg7B1 VAL 19 H -0.06 0.57 -0.11 -0.55 8.24 8.09 1xg7B1 VAL 19 HA -0.03 0.00 0.37 -0.75 4.13 3.72 1xg7B1 VAL 19 HB 0.01 0.13 0.13 -0.04 2.12 2.35 1xg7B1 VAL 19 HG13 0.05 0.00 -0.09 -0.04 0.97 0.90 1xg7B1 VAL 19 HG23 0.01 0.04 -0.01 -0.04 0.95 0.95 1xg7B1 GLU 20 H -0.09 0.66 -0.13 -0.55 8.60 8.49 1xg7B1 GLU 20 HA -0.09 -0.10 0.37 -0.75 4.29 3.71 1xg7B1 GLU 20 HB2 -0.22 0.16 0.12 -0.04 2.09 2.11 1xg7B1 GLU 20 HB3 -0.42 -0.06 -0.00 -0.04 1.99 1.47 1xg7B1 GLU 20 HG2 0.29 -0.11 0.03 -0.04 2.34 2.51 1xg7B1 GLU 20 HG3 0.11 0.12 0.06 -0.04 2.34 2.60 1xg7B1 GLU 21 H -0.36 0.46 -0.25 -0.55 8.60 7.90 1xg7B1 GLU 21 HA -1.22 0.06 0.44 -0.75 4.29 2.82 1xg7B1 GLU 21 HB2 -0.31 0.06 0.09 -0.04 2.09 1.89 1xg7B1 GLU 21 HB3 -0.32 -0.03 0.04 -0.04 1.99 1.64 1xg7B1 GLU 21 HG2 -1.20 -0.04 -0.08 -0.04 2.34 0.98 1xg7B1 GLU 21 HG3 -0.60 0.06 0.03 -0.04 2.34 1.80 1xg7B1 LYS 22 H -0.16 0.41 -0.14 -0.55 8.42 7.97 1xg7B1 LYS 22 HA -0.07 0.19 0.96 -0.75 4.32 4.65 1xg7B1 LYS 22 HB2 -0.05 -0.00 -0.08 -0.04 1.87 1.71 1xg7B1 LYS 22 HB3 -0.03 -0.06 -0.03 -0.04 1.79 1.63 1xg7B1 LYS 22 HG2 -0.08 0.01 -0.18 -0.04 1.46 1.17 1xg7B1 LYS 22 HG3 -0.09 0.05 -0.02 -0.04 1.46 1.35 1xg7B1 LYS 22 HD2 -0.03 0.00 -0.24 -0.04 1.69 1.37 1xg7B1 LYS 22 HD3 -0.04 0.00 -0.04 -0.04 1.68 1.56 1xg7B1 LYS 22 HE2 -0.05 -0.13 -0.03 -0.04 2.99 2.74 1xg7B1 LYS 22 HE3 -0.04 0.02 -0.00 -0.04 2.99 2.92 1xg7B1 VAL 23 H -0.04 0.39 0.09 -0.55 8.24 8.14 1xg7B1 VAL 23 HA 0.09 0.19 0.90 -0.75 4.13 4.55 1xg7B1 VAL 23 HB 0.04 0.06 0.14 -0.04 2.12 2.32 1xg7B1 VAL 23 HG13 0.09 -0.03 -0.12 -0.04 0.97 0.87 1xg7B1 VAL 23 HG23 0.03 0.00 -0.13 -0.04 0.95 0.81 1xg7B1 ASP 24 H 0.02 0.47 0.19 -0.55 8.40 8.53 1xg7B1 ASP 24 HA 0.13 -0.04 0.42 -0.75 4.63 4.38 1xg7B1 ASP 24 HB2 0.06 0.07 0.15 -0.04 2.71 2.96 1xg7B1 ASP 24 HB3 0.01 0.31 0.30 -0.04 2.70 3.28 1xg7B1 ARG 25 H 0.15 0.12 0.21 -0.55 8.46 8.39 1xg7B1 ARG 25 HA 0.31 0.21 0.43 -0.75 4.34 4.54 1xg7B1 ARG 25 HB2 0.17 -0.10 0.07 -0.04 1.90 2.00 1xg7B1 ARG 25 HB3 0.31 0.02 0.07 -0.04 1.80 2.16 1xg7B1 ARG 25 HG2 0.18 0.05 0.14 -0.04 1.67 2.00 1xg7B1 ARG 25 HG3 0.19 -0.03 0.05 -0.04 1.67 1.84 1xg7B1 ARG 25 HD2 0.30 0.09 -0.05 -0.04 3.22 3.52 1xg7B1 ARG 25 HD3 0.19 0.06 0.04 -0.04 3.22 3.46 1xg7B1 GLN 26 H 0.06 0.07 -0.10 -0.55 8.47 7.95 1xg7B1 GLN 26 HA -0.20 0.12 0.64 -0.75 4.36 4.17 1xg7B1 GLN 26 HB2 -0.05 -0.01 0.05 -0.04 2.15 2.10 1xg7B1 GLN 26 HB3 -0.46 0.07 -0.04 -0.04 2.02 1.54 1xg7B1 GLN 26 HG2 -0.82 0.06 -0.02 -0.04 2.40 1.57 1xg7B1 GLN 26 HG3 -0.41 0.02 -0.00 -0.04 2.39 1.96 1xg7B1 GLN 26 HE21 -0.11 0.00 -0.01 -0.04 6.97 6.81 1xg7B1 GLN 26 HE22 -0.10 0.07 -0.01 -0.04 7.69 7.60 1xg7B1 PHE 27 H 0.19 0.10 -0.27 -0.55 8.34 7.80 1xg7B1 PHE 27 HA -0.12 0.03 0.33 -0.75 4.62 4.11 1xg7B1 PHE 27 HB2 -0.51 -0.11 0.08 -0.04 3.15 2.58 1xg7B1 PHE 27 HB3 -0.15 0.25 0.08 -0.04 3.06 3.21 1xg7B1 PHE 27 HD2 -0.80 -0.01 -0.13 -0.04 7.28 6.30 1xg7B1 PHE 27 HE2 -0.20 0.03 -0.04 -0.04 7.38 7.13 1xg7B1 PHE 27 HZ -0.15 0.02 -0.10 -0.04 7.32 7.05 1xg7B1 TYR 28 H 0.30 0.40 -0.22 -0.55 8.29 8.23 1xg7B1 TYR 28 HA 0.14 0.08 0.38 -0.75 4.56 4.40 1xg7B1 TYR 28 HB2 0.20 0.17 0.03 -0.04 3.06 3.43 1xg7B1 TYR 28 HB3 0.26 0.07 0.02 -0.04 2.98 3.29 1xg7B1 TYR 28 HD2 0.36 0.00 -0.11 -0.04 7.15 7.36 1xg7B1 TYR 28 HE2 0.22 -0.00 -0.04 -0.04 6.85 6.99 1xg7B1 ALA 29 H -0.31 0.35 -0.38 -0.55 8.40 7.52 1xg7B1 ALA 29 HA -1.52 0.04 0.42 -0.75 4.34 2.52 1xg7B1 ALA 29 HB3 -0.97 0.04 0.01 -0.04 1.41 0.44 1xg7B1 LEU 30 H -0.11 0.47 -0.24 -0.55 8.37 7.94 1xg7B1 LEU 30 HA 0.27 0.00 0.36 -0.75 4.35 4.23 1xg7B1 LEU 30 HB2 -0.17 0.12 0.07 -0.04 1.64 1.61 1xg7B1 LEU 30 HB3 0.25 -0.04 -0.05 -0.04 1.64 1.76 1xg7B1 LEU 30 HG -0.10 0.25 0.01 -0.04 1.64 1.77 1xg7B1 LEU 30 HD13 -0.12 -0.03 -0.07 -0.04 0.93 0.66 1xg7B1 LEU 30 HD23 0.30 -0.02 -0.09 -0.04 0.89 1.03 1xg7B1 GLN 31 H -0.12 0.61 -0.12 -0.55 8.47 8.29 1xg7B1 GLN 31 HA -0.15 0.02 0.47 -0.75 4.36 3.95 1xg7B1 GLN 31 HB2 0.01 0.10 0.14 -0.04 2.15 2.36 1xg7B1 GLN 31 HB3 0.00 -0.03 -0.02 -0.04 2.02 1.94 1xg7B1 GLN 31 HG2 -0.31 -0.05 0.02 -0.04 2.40 2.02 1xg7B1 GLN 31 HG3 -0.56 0.09 -0.01 -0.04 2.39 1.86 1xg7B1 GLN 31 HE21 0.14 0.05 -0.01 -0.04 6.97 7.10 1xg7B1 GLN 31 HE22 0.22 -0.01 -0.13 -0.04 7.69 7.73 1xg7B1 TYR 32 H 0.26 0.43 -0.33 -0.55 8.29 8.09 1xg7B1 TYR 32 HA 0.21 0.04 0.46 -0.75 4.56 4.51 1xg7B1 TYR 32 HB2 0.47 -0.02 0.06 -0.04 3.06 3.53 1xg7B1 TYR 32 HB3 0.25 0.14 0.16 -0.04 2.98 3.49 1xg7B1 TYR 32 HD2 0.21 -0.00 -0.12 -0.04 7.15 7.21 1xg7B1 TYR 32 HE2 -0.04 0.04 -0.14 -0.04 6.85 6.67 1xg7B1 LEU 33 H 0.23 0.51 -0.02 -0.55 8.37 8.53 1xg7B1 LEU 33 HA 0.00 0.05 0.27 -0.75 4.35 3.92 1xg7B1 LEU 33 HB2 0.18 -0.02 0.09 -0.04 1.64 1.85 1xg7B1 LEU 33 HB3 0.34 0.04 0.07 -0.04 1.64 2.05 1xg7B1 LEU 33 HG 0.28 -0.04 -0.25 -0.04 1.64 1.59 1xg7B1 LEU 33 HD13 0.01 0.04 -0.13 -0.04 0.93 0.81 1xg7B1 LEU 33 HD23 -0.14 -0.02 -0.12 -0.04 0.89 0.56 1xg7B1 PHE 34 H -0.15 0.63 -0.29 -0.55 8.34 7.98 1xg7B1 PHE 34 HA -1.00 -0.06 0.25 -0.75 4.62 3.06 1xg7B1 PHE 34 HB2 -1.35 -0.02 0.04 -0.04 3.15 1.78 1xg7B1 PHE 34 HB3 -0.49 0.14 0.08 -0.04 3.06 2.74 1xg7B1 PHE 34 HD2 -0.68 -0.02 -0.08 -0.04 7.28 6.46 1xg7B1 PHE 34 HE2 -0.20 -0.07 -0.01 -0.04 7.38 7.06 1xg7B1 PHE 34 HZ -0.16 0.03 0.03 -0.04 7.32 7.17 1xg7B1 ARG 35 H -0.24 0.43 -0.34 -0.55 8.46 7.75 1xg7B1 ARG 35 HA -0.54 0.04 0.50 -0.75 4.34 3.58 1xg7B1 ARG 35 HB2 -0.41 0.17 0.12 -0.04 1.90 1.74 1xg7B1 ARG 35 HB3 -0.55 -0.09 0.13 -0.04 1.80 1.26 1xg7B1 ARG 35 HG2 -0.19 -0.05 0.04 -0.04 1.67 1.43 1xg7B1 ARG 35 HG3 -0.08 0.13 0.06 -0.04 1.67 1.74 1xg7B1 ARG 35 HD2 -0.10 -0.06 0.03 -0.04 3.22 3.04 1xg7B1 ARG 35 HD3 -0.03 -0.04 0.01 -0.04 3.22 3.12 1xg7B1 HIS 36 H -0.30 0.49 -0.59 -0.55 8.41 7.47 1xg7B1 HIS 36 HA -0.20 0.11 0.80 -0.75 4.63 4.59 1xg7B1 HIS 36 HB2 -0.26 0.08 0.10 -0.04 3.26 3.14 1xg7B1 HIS 36 HB3 -0.15 -0.18 0.22 -0.04 3.20 3.05 1xg7B1 HIS 36 HD2 -0.11 -0.04 -0.03 -0.04 6.97 6.74 1xg7B1 HIS 36 HE1 -0.41 -0.05 -0.05 -0.04 7.75 7.20 1xg7B1 GLN 37 H -0.30 0.47 -0.04 -0.55 8.47 8.05 1xg7B1 GLN 37 HA -0.05 0.07 0.56 -0.75 4.36 4.19 1xg7B1 GLN 37 HB2 -0.02 0.14 -0.14 -0.04 2.15 2.09 1xg7B1 GLN 37 HB3 0.05 -0.04 -0.03 -0.04 2.02 1.96 1xg7B1 GLN 37 HG2 0.03 0.19 -0.08 -0.04 2.40 2.50 1xg7B1 GLN 37 HG3 0.09 -0.11 -0.10 -0.04 2.39 2.23 1xg7B1 GLN 37 HE21 0.06 0.32 0.15 -0.04 6.97 7.47 1xg7B1 GLN 37 HE22 0.09 0.42 0.20 -0.04 7.69 8.36 1xg7B1 ASP 38 H -0.03 0.08 0.13 -0.55 8.40 8.04 1xg7B1 ASP 38 HA -0.12 0.27 0.81 -0.75 4.63 4.84 1xg7B1 ASP 38 HB2 -0.03 0.04 0.17 -0.04 2.71 2.85 1xg7B1 ASP 38 HB3 -0.04 0.07 0.11 -0.04 2.70 2.81 1xg7B1 PRO 39 HA 0.21 0.15 0.35 -0.51 4.44 4.64 1xg7B1 PRO 39 HB2 0.08 -0.08 0.10 -0.04 2.28 2.34 1xg7B1 PRO 39 HB3 0.12 0.13 0.11 -0.04 2.02 2.34 1xg7B1 PRO 39 HG2 0.02 0.04 0.13 -0.04 2.03 2.18 1xg7B1 PRO 39 HG3 -0.02 0.18 0.14 -0.04 2.03 2.28 1xg7B1 PRO 39 HD2 -0.02 0.03 0.25 -0.04 3.68 3.89 1xg7B1 PRO 39 HD3 -0.13 0.28 0.29 -0.04 3.65 4.05 1xg7B1 GLU 40 H 0.07 0.13 -0.09 -0.55 8.60 8.17 1xg7B1 GLU 40 HA 0.10 0.09 0.38 -0.75 4.29 4.11 1xg7B1 GLU 40 HB2 0.08 -0.04 0.11 -0.04 2.09 2.20 1xg7B1 GLU 40 HB3 0.06 0.01 0.08 -0.04 1.99 2.10 1xg7B1 GLU 40 HG2 0.07 0.04 -0.20 -0.04 2.34 2.20 1xg7B1 GLU 40 HG3 0.09 -0.04 -0.10 -0.04 2.34 2.26 1xg7B1 MET 41 H 0.07 0.10 -0.17 -0.55 8.47 7.92 1xg7B1 MET 41 HA 0.05 0.05 0.42 -0.75 4.52 4.29 1xg7B1 MET 41 HB2 0.05 -0.02 0.10 -0.04 2.15 2.24 1xg7B1 MET 41 HB3 0.06 0.07 0.09 -0.04 2.03 2.20 1xg7B1 MET 41 HG2 0.04 0.06 0.02 -0.04 2.63 2.71 1xg7B1 MET 41 HG3 0.02 0.05 -0.18 -0.04 2.56 2.40 1xg7B1 MET 41 HE3 0.05 0.01 -0.00 -0.04 2.10 2.12 1xg7B1 PHE 42 H 0.21 0.52 -0.23 -0.55 8.34 8.28 1xg7B1 PHE 42 HA 0.03 0.05 0.36 -0.75 4.62 4.30 1xg7B1 PHE 42 HB2 0.04 0.08 -0.10 -0.04 3.15 3.12 1xg7B1 PHE 42 HB3 0.07 0.14 0.10 -0.04 3.06 3.32 1xg7B1 PHE 42 HD2 0.05 0.02 -0.12 -0.04 7.28 7.19 1xg7B1 PHE 42 HE2 -0.09 0.06 0.02 -0.04 7.38 7.32 1xg7B1 PHE 42 HZ -0.14 -0.05 -0.10 -0.04 7.32 7.00 1xg7B1 ILE 43 H 0.08 0.53 -0.10 -0.55 8.25 8.21 1xg7B1 ILE 43 HA -0.37 0.02 0.43 -0.75 4.18 3.50 1xg7B1 ILE 43 HB 0.07 0.07 0.09 -0.04 1.89 2.07 1xg7B1 ILE 43 HG12 -0.21 -0.04 -0.15 -0.04 1.49 1.06 1xg7B1 ILE 43 HG13 0.05 0.19 0.07 -0.04 1.21 1.48 1xg7B1 ILE 43 HG23 0.18 -0.02 -0.11 -0.04 0.93 0.94 1xg7B1 ILE 43 HD13 -0.14 -0.03 -0.08 -0.04 0.88 0.59 1xg7B1 LYS 44 H 0.04 0.51 -0.17 -0.55 8.42 8.25 1xg7B1 LYS 44 HA 0.05 -0.00 0.41 -0.75 4.32 4.02 1xg7B1 LYS 44 HB2 0.04 0.08 0.12 -0.04 1.87 2.07 1xg7B1 LYS 44 HB3 0.04 -0.08 -0.02 -0.04 1.79 1.69 1xg7B1 LYS 44 HG2 0.04 -0.05 0.00 -0.04 1.46 1.41 1xg7B1 LYS 44 HG3 0.06 0.09 0.05 -0.04 1.46 1.62 1xg7B1 LYS 44 HD2 0.05 -0.05 -0.13 -0.04 1.69 1.52 1xg7B1 LYS 44 HD3 0.03 -0.06 -0.08 -0.04 1.68 1.52 1xg7B1 LYS 44 HE2 -0.00 0.02 0.04 -0.04 2.99 3.00 1xg7B1 LYS 44 HE3 0.04 -0.11 -0.07 -0.04 2.99 2.81 1xg7B1 LEU 45 H 0.01 0.69 -0.20 -0.55 8.37 8.32 1xg7B1 LEU 45 HA 0.04 -0.05 0.42 -0.75 4.35 4.01 1xg7B1 LEU 45 HB2 0.02 0.17 0.12 -0.04 1.64 1.91 1xg7B1 LEU 45 HB3 0.06 -0.05 -0.05 -0.04 1.64 1.56 1xg7B1 LEU 45 HG -0.09 0.04 0.03 -0.04 1.64 1.59 1xg7B1 LEU 45 HD13 -0.27 -0.00 -0.10 -0.04 0.93 0.52 1xg7B1 LEU 45 HD23 -0.65 -0.03 -0.03 -0.04 0.89 0.13 1xg7B1 VAL 46 H -0.03 0.47 -0.30 -0.55 8.24 7.82 1xg7B1 VAL 46 HA 0.08 0.00 0.36 -0.75 4.13 3.82 1xg7B1 VAL 46 HB -0.18 0.13 0.15 -0.04 2.12 2.18 1xg7B1 VAL 46 HG13 -0.06 -0.01 -0.23 -0.04 0.97 0.64 1xg7B1 VAL 46 HG23 -0.21 0.06 -0.02 -0.04 0.95 0.74 1xg7B1 ILE 47 H 0.04 0.56 -0.10 -0.55 8.25 8.19 1xg7B1 ILE 47 HA 0.05 0.01 0.38 -0.75 4.18 3.87 1xg7B1 ILE 47 HB 0.05 0.09 0.12 -0.04 1.89 2.11 1xg7B1 ILE 47 HG12 0.03 -0.03 -0.02 -0.04 1.49 1.43 1xg7B1 ILE 47 HG13 0.15 0.11 0.05 -0.04 1.21 1.47 1xg7B1 ILE 47 HG23 0.02 -0.02 -0.17 -0.04 0.93 0.72 1xg7B1 ILE 47 HD13 0.03 -0.02 -0.09 -0.04 0.88 0.77 1xg7B1 ALA 48 H 0.02 0.61 -0.11 -0.55 8.40 8.37 1xg7B1 ALA 48 HA -0.03 -0.01 0.30 -0.75 4.34 3.84 1xg7B1 ALA 48 HB3 -0.07 0.00 0.04 -0.04 1.41 1.34 1xg7B1 ASN 49 H -0.06 0.68 -0.24 -0.55 8.53 8.37 1xg7B1 ASN 49 HA -0.03 -0.01 0.29 -0.75 4.76 4.26 1xg7B1 ASN 49 HB2 -0.70 0.18 0.07 -0.04 2.88 2.39 1xg7B1 ASN 49 HB3 -0.85 0.02 0.00 -0.04 2.79 1.92 1xg7B1 ASN 49 HD21 -2.32 -0.04 -0.16 -0.04 7.03 4.46 1xg7B1 ASN 49 HD22 -3.32 0.00 -0.19 -0.04 7.74 4.19 1xg7B1 SER 50 H 0.10 0.60 -0.20 -0.55 8.46 8.42 1xg7B1 SER 50 HA 0.56 -0.04 0.34 -0.75 4.49 4.59 1xg7B1 SER 50 HB2 0.13 0.12 0.13 -0.04 3.95 4.29 1xg7B1 SER 50 HB3 0.21 -0.10 -0.04 -0.04 3.93 3.97 1xg7B1 LEU 51 H 0.07 0.46 -0.36 -0.55 8.37 7.99 1xg7B1 LEU 51 HA 0.13 -0.02 0.18 -0.75 4.35 3.89 1xg7B1 LEU 51 HB2 0.02 0.14 0.04 -0.04 1.64 1.80 1xg7B1 LEU 51 HB3 0.04 -0.06 -0.02 -0.04 1.64 1.57 1xg7B1 LEU 51 HG 0.04 0.10 -0.02 -0.04 1.64 1.72 1xg7B1 LEU 51 HD13 -0.01 -0.02 -0.10 -0.04 0.93 0.76 1xg7B1 LEU 51 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.75 1xg7B1 VAL 52 H 0.07 0.42 -0.48 -0.55 8.24 7.71 1xg7B1 VAL 52 HA 0.10 0.12 0.79 -0.75 4.13 4.39 1xg7B1 VAL 52 HB -0.13 -0.05 0.19 -0.04 2.12 2.08 1xg7B1 VAL 52 HG13 -0.02 -0.02 -0.07 -0.04 0.97 0.83 1xg7B1 VAL 52 HG23 0.07 0.02 -0.02 -0.04 0.95 0.98 1xg7B1 SER 53 H 0.18 0.46 -0.30 -0.55 8.46 8.27 1xg7B1 SER 53 HA -0.24 0.10 0.56 -0.75 4.49 4.16 1xg7B1 SER 53 HB2 0.40 0.12 0.23 -0.04 3.95 4.66 1xg7B1 SER 53 HB3 0.30 -0.15 0.11 -0.04 3.93 4.16 1xg7B1 TYR 54 H -0.44 0.64 -0.21 -0.55 8.29 7.73 1xg7B1 TYR 54 HA -0.09 0.01 0.57 -0.75 4.56 4.29 1xg7B1 TYR 54 HB2 -0.05 -0.10 0.06 -0.04 3.06 2.93 1xg7B1 TYR 54 HB3 -0.04 0.03 -0.16 -0.04 2.98 2.77 1xg7B1 TYR 54 HD2 -0.04 -0.02 -0.31 -0.04 7.15 6.73 1xg7B1 TYR 54 HE2 -0.04 0.07 0.00 -0.04 6.85 6.85 1xg7B1 GLN 55 H 0.05 0.06 0.11 -0.55 8.47 8.14 1xg7B1 GLN 55 HA -0.04 -0.01 0.37 -0.75 4.36 3.93 1xg7B1 GLN 55 HB2 -0.05 0.11 -0.14 -0.04 2.15 2.04 1xg7B1 GLN 55 HB3 -0.04 0.02 0.13 -0.04 2.02 2.09 1xg7B1 GLN 55 HG2 0.04 0.01 0.07 -0.04 2.40 2.48 1xg7B1 GLN 55 HG3 0.18 -0.09 0.01 -0.04 2.39 2.44 1xg7B1 GLN 55 HE21 0.04 -0.01 0.00 -0.04 6.97 6.96 1xg7B1 GLN 55 HE22 0.02 0.02 0.01 -0.04 7.69 7.70 1xg7B1 LEU 56 H -0.15 -0.08 -0.14 -0.55 8.37 7.46 1xg7B1 LEU 56 HA -0.39 0.17 0.50 -0.75 4.35 3.88 1xg7B1 LEU 56 HB2 -0.14 -0.02 0.02 -0.04 1.64 1.46 1xg7B1 LEU 56 HB3 -0.27 0.20 0.11 -0.04 1.64 1.64 1xg7B1 LEU 56 HG -0.21 -0.15 -0.21 -0.04 1.64 1.02 1xg7B1 LEU 56 HD13 -0.06 -0.02 -0.15 -0.04 0.93 0.66 1xg7B1 LEU 56 HD23 -0.83 0.05 -0.11 -0.04 0.89 -0.04 1xg7B1 THR 57 H -0.24 0.48 -0.15 -0.55 8.28 7.83 1xg7B1 THR 57 HA -0.08 0.18 0.78 -0.75 4.39 4.51 1xg7B1 THR 57 HB -0.07 0.04 0.17 -0.04 4.32 4.42 1xg7B1 THR 57 HG23 -0.12 0.04 -0.26 -0.04 1.22 0.84 1xg7B1 GLY 58 H -0.07 0.27 -0.21 -0.55 8.43 7.88 1xg7B1 GLY 58 HA2 0.02 0.08 0.21 -0.51 4.01 3.82 1xg7B1 GLY 58 HA3 0.04 0.04 0.42 -0.51 4.01 4.00 1xg7B1 ARG 59 H 0.10 0.15 0.12 -0.55 8.46 8.28 1xg7B1 ARG 59 HA 0.09 0.14 0.43 -0.75 4.34 4.24 1xg7B1 ARG 59 HB2 0.14 -0.10 0.11 -0.04 1.90 2.02 1xg7B1 ARG 59 HB3 0.14 -0.06 0.06 -0.04 1.80 1.90 1xg7B1 ARG 59 HG2 0.09 0.06 0.02 -0.04 1.67 1.80 1xg7B1 ARG 59 HG3 0.09 0.05 0.07 -0.04 1.67 1.83 1xg7B1 ARG 59 HD2 0.12 0.01 0.02 -0.04 3.22 3.33 1xg7B1 ARG 59 HD3 0.09 0.10 0.01 -0.04 3.22 3.38 1xg7B1 GLY 60 H 0.10 0.19 0.18 -0.55 8.43 8.35 1xg7B1 GLY 60 HA2 0.28 0.14 0.33 -0.51 4.01 4.25 1xg7B1 GLY 60 HA3 0.14 0.08 0.33 -0.51 4.01 4.06 1xg7B1 GLU 61 H 0.19 0.10 -0.15 -0.55 8.60 8.18 1xg7B1 GLU 61 HA 0.29 0.10 0.35 -0.75 4.29 4.28 1xg7B1 GLU 61 HB2 0.26 0.06 0.02 -0.04 2.09 2.39 1xg7B1 GLU 61 HB3 0.17 -0.01 0.05 -0.04 1.99 2.16 1xg7B1 GLU 61 HG2 0.19 -0.09 0.02 -0.04 2.34 2.41 1xg7B1 GLU 61 HG3 0.26 0.06 -0.17 -0.04 2.34 2.44 1xg7B1 ASP 62 H 0.26 0.06 -0.28 -0.55 8.40 7.89 1xg7B1 ASP 62 HA 0.34 0.12 0.41 -0.75 4.63 4.74 1xg7B1 ASP 62 HB2 0.20 0.04 0.09 -0.04 2.71 3.01 1xg7B1 ASP 62 HB3 0.19 0.05 -0.01 -0.04 2.70 2.89 1xg7B1 TRP 63 H 0.41 0.46 -0.22 -0.55 7.97 8.08 1xg7B1 TRP 63 HA 0.06 -0.03 0.43 -0.75 4.62 4.33 1xg7B1 TRP 63 HB2 -0.02 0.01 -0.07 -0.04 3.23 3.11 1xg7B1 TRP 63 HB3 0.03 0.13 0.09 -0.04 3.23 3.45 1xg7B1 TRP 63 HD1 -0.33 -0.02 -0.09 -0.04 7.22 6.74 1xg7B1 TRP 63 HE1 -0.56 0.09 -0.17 -0.04 10.20 9.52 1xg7B1 TRP 63 HE3 -0.06 -0.13 -0.09 -0.04 7.59 7.28 1xg7B1 TRP 63 HZ2 -0.11 0.08 -0.11 -0.04 7.44 7.26 1xg7B1 TRP 63 HZ3 -0.48 -0.02 -0.12 -0.04 7.13 6.48 1xg7B1 TRP 63 HH2 -0.26 0.03 -0.09 -0.04 7.19 6.83 1xg7B1 TRP 64 H 0.35 0.44 -0.19 -0.55 7.97 8.02 1xg7B1 TRP 64 HA -0.36 0.06 0.44 -0.75 4.62 4.01 1xg7B1 TRP 64 HB2 -0.09 0.04 0.13 -0.04 3.23 3.27 1xg7B1 TRP 64 HB3 -0.18 0.01 0.05 -0.04 3.23 3.06 1xg7B1 TRP 64 HD1 0.16 0.19 -0.02 -0.04 7.22 7.51 1xg7B1 TRP 64 HE1 0.39 -0.00 -0.04 -0.04 10.20 10.50 1xg7B1 TRP 64 HE3 -0.08 -0.01 -0.02 -0.04 7.59 7.44 1xg7B1 TRP 64 HZ2 0.20 0.01 -0.07 -0.04 7.44 7.54 1xg7B1 TRP 64 HZ3 -0.44 0.01 -0.05 -0.04 7.13 6.62 1xg7B1 TRP 64 HH2 -0.26 0.13 -0.00 -0.04 7.19 7.02 1xg7B1 TRP 65 H 0.31 0.38 -0.20 -0.55 7.97 7.91 1xg7B1 TRP 65 HA 0.11 0.06 0.58 -0.75 4.62 4.61 1xg7B1 TRP 65 HB2 0.07 0.07 0.16 -0.04 3.23 3.50 1xg7B1 TRP 65 HB3 0.00 -0.00 -0.01 -0.04 3.23 3.17 1xg7B1 TRP 65 HD1 0.06 0.02 -0.05 -0.04 7.22 7.21 1xg7B1 TRP 65 HE1 -0.08 -0.03 -0.00 -0.04 10.20 10.05 1xg7B1 TRP 65 HE3 -0.10 -0.04 0.07 -0.04 7.59 7.48 1xg7B1 TRP 65 HZ2 -0.73 -0.00 -0.12 -0.04 7.44 6.55 1xg7B1 TRP 65 HZ3 -0.25 0.03 -0.01 -0.04 7.13 6.86 1xg7B1 TRP 65 HH2 0.07 0.07 -0.16 -0.04 7.19 7.13 1xg7B1 GLU 66 H 0.23 0.51 -0.13 -0.55 8.60 8.67 1xg7B1 GLU 66 HA 0.17 0.06 0.53 -0.75 4.29 4.29 1xg7B1 GLU 66 HB2 0.24 0.00 0.11 -0.04 2.09 2.39 1xg7B1 GLU 66 HB3 0.23 0.08 0.16 -0.04 1.99 2.42 1xg7B1 GLU 66 HG2 0.47 0.06 -0.24 -0.04 2.34 2.59 1xg7B1 GLU 66 HG3 0.25 0.04 0.05 -0.04 2.34 2.64 1xg7B1 PHE 67 H -0.15 0.56 -0.15 -0.55 8.34 8.05 1xg7B1 PHE 67 HA -0.19 0.02 0.45 -0.75 4.62 4.14 1xg7B1 PHE 67 HB2 -0.94 -0.03 0.02 -0.04 3.15 2.16 1xg7B1 PHE 67 HB3 -0.67 0.09 0.14 -0.04 3.06 2.59 1xg7B1 PHE 67 HD2 0.11 0.04 -0.06 -0.04 7.28 7.34 1xg7B1 PHE 67 HE2 0.05 -0.02 -0.14 -0.04 7.38 7.24 1xg7B1 PHE 67 HZ 0.00 -0.05 -0.39 -0.04 7.32 6.84 1xg7B1 ALA 68 H 0.12 0.54 -0.12 -0.55 8.40 8.39 1xg7B1 ALA 68 HA -0.20 0.00 0.41 -0.75 4.34 3.80 1xg7B1 ALA 68 HB3 0.23 0.01 0.10 -0.04 1.41 1.71 1xg7B1 ARG 69 H 0.11 0.56 -0.18 -0.55 8.46 8.39 1xg7B1 ARG 69 HA 0.05 0.02 0.39 -0.75 4.34 4.05 1xg7B1 ARG 69 HB2 0.07 0.08 0.15 -0.04 1.90 2.16 1xg7B1 ARG 69 HB3 0.05 0.07 0.10 -0.04 1.80 1.98 1xg7B1 ARG 69 HG2 -0.02 0.01 -0.10 -0.04 1.67 1.52 1xg7B1 ARG 69 HG3 -0.03 -0.01 0.04 -0.04 1.67 1.62 1xg7B1 ARG 69 HD2 -0.03 -0.03 -0.02 -0.04 3.22 3.10 1xg7B1 ARG 69 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.11 1xg7B1 TYR 70 H -0.08 0.42 -0.21 -0.55 8.29 7.87 1xg7B1 TYR 70 HA -0.34 0.02 0.43 -0.75 4.56 3.92 1xg7B1 TYR 70 HB2 -0.68 0.03 0.10 -0.04 3.06 2.47 1xg7B1 TYR 70 HB3 -1.27 0.04 0.06 -0.04 2.98 1.76 1xg7B1 TYR 70 HD2 -1.52 0.00 -0.14 -0.04 7.15 5.45 1xg7B1 TYR 70 HE2 -0.44 -0.03 -0.07 -0.04 6.85 6.27 1xg7B1 PHE 71 H -0.20 0.42 -0.24 -0.55 8.34 7.77 1xg7B1 PHE 71 HA -0.27 0.11 0.66 -0.75 4.62 4.37 1xg7B1 PHE 71 HB2 -0.48 0.10 0.04 -0.04 3.15 2.76 1xg7B1 PHE 71 HB3 -0.18 -0.06 0.06 -0.04 3.06 2.84 1xg7B1 PHE 71 HD2 -0.34 0.11 -0.04 -0.04 7.28 6.97 1xg7B1 PHE 71 HE2 -0.16 -0.06 -0.08 -0.04 7.38 7.04 1xg7B1 PHE 71 HZ -0.33 -0.08 -0.15 -0.04 7.32 6.72 1xg7B1 SER 72 H -0.07 0.29 -0.34 -0.55 8.46 7.79 1xg7B1 SER 72 HA 0.01 0.03 0.44 -0.75 4.49 4.22 1xg7B1 SER 72 HB2 0.16 0.07 0.08 -0.04 3.95 4.23 1xg7B1 SER 72 HB3 -0.01 0.10 0.17 -0.04 3.93 4.15 1xg7B1 GLY 73 H 0.01 0.75 0.43 -0.55 8.43 9.07 1xg7B1 GLY 73 HA2 -0.01 -0.04 0.34 -0.51 4.01 3.79 1xg7B1 GLY 73 HA3 -0.03 -0.02 0.37 -0.51 4.01 3.82 1xg7B1 ARG 74 H -0.03 0.51 -0.40 -0.55 8.46 7.99 1xg7B1 ARG 74 HA -0.09 0.03 0.50 -0.75 4.34 4.03 1xg7B1 ARG 74 HB2 -0.25 0.20 -0.11 -0.04 1.90 1.70 1xg7B1 ARG 74 HB3 -0.00 -0.06 0.04 -0.04 1.80 1.73 1xg7B1 ARG 74 HG2 -0.08 0.16 -0.17 -0.04 1.67 1.53 1xg7B1 ARG 74 HG3 -0.27 -0.05 0.01 -0.04 1.67 1.32 1xg7B1 ARG 74 HD2 -0.90 0.29 -0.01 -0.04 3.22 2.57 1xg7B1 ARG 74 HD3 -0.11 -0.13 -0.11 -0.04 3.22 2.82 1xg7B1 GLU 75 H -0.03 0.14 0.18 -0.55 8.60 8.34 1xg7B1 GLU 75 HA 0.02 0.03 0.59 -0.75 4.29 4.18 1xg7B1 GLU 75 HB2 -0.01 0.05 0.10 -0.04 2.09 2.19 1xg7B1 GLU 75 HB3 -0.01 -0.02 0.10 -0.04 1.99 2.03 1xg7B1 GLU 75 HG2 0.03 -0.03 -0.36 -0.04 2.34 1.93 1xg7B1 GLU 75 HG3 0.01 0.01 -0.03 -0.04 2.34 2.29 1xg7B1 VAL 76 H 0.06 0.20 0.10 -0.55 8.24 8.04 1xg7B1 VAL 76 HA 0.11 0.13 0.80 -0.75 4.13 4.42 1xg7B1 VAL 76 HB 0.09 -0.02 0.07 -0.04 2.12 2.22 1xg7B1 VAL 76 HG13 0.16 -0.02 -0.35 -0.04 0.97 0.72 1xg7B1 VAL 76 HG23 0.24 0.07 -0.23 -0.04 0.95 0.99 1xg7B1 ASP 77 H 0.08 0.15 0.03 -0.55 8.40 8.12 1xg7B1 ASP 77 HA 0.06 0.21 0.89 -0.75 4.63 5.04 1xg7B1 ASP 77 HB2 0.06 -0.03 0.11 -0.04 2.71 2.80 1xg7B1 ASP 77 HB3 0.06 0.02 0.00 -0.04 2.70 2.74 1xg7B1 SER 78 H 0.12 0.17 0.08 -0.55 8.46 8.28 1xg7B1 SER 78 HA 0.15 0.24 0.74 -0.75 4.49 4.87 1xg7B1 SER 78 HB2 0.18 0.19 0.03 -0.04 3.95 4.31 1xg7B1 SER 78 HB3 0.14 0.03 0.08 -0.04 3.93 4.13 1xg7B1 ILE 79 H 0.19 0.27 0.05 -0.55 8.25 8.21 1xg7B1 ILE 79 HA 0.28 0.14 0.50 -0.75 4.18 4.34 1xg7B1 ILE 79 HB 0.18 0.00 0.07 -0.04 1.89 2.11 1xg7B1 ILE 79 HG12 0.11 0.05 -0.06 -0.04 1.49 1.55 1xg7B1 ILE 79 HG13 0.12 -0.02 -0.05 -0.04 1.21 1.22 1xg7B1 ILE 79 HG23 0.25 0.02 -0.10 -0.04 0.93 1.06 1xg7B1 ILE 79 HD13 0.07 0.03 -0.13 -0.04 0.88 0.81 1xg7B1 TRP 80 H 0.40 0.09 -0.14 -0.55 7.97 7.77 1xg7B1 TRP 80 HA 0.15 0.12 0.31 -0.75 4.62 4.45 1xg7B1 TRP 80 HB2 0.07 0.07 -0.06 -0.04 3.23 3.27 1xg7B1 TRP 80 HB3 0.08 -0.05 0.05 -0.04 3.23 3.27 1xg7B1 TRP 80 HD1 0.07 0.01 0.08 -0.04 7.22 7.34 1xg7B1 TRP 80 HE1 0.05 0.01 -0.11 -0.04 10.20 10.11 1xg7B1 TRP 80 HE3 0.06 -0.05 -0.05 -0.04 7.59 7.51 1xg7B1 TRP 80 HZ2 0.03 0.01 -0.05 -0.04 7.44 7.40 1xg7B1 TRP 80 HZ3 0.04 0.01 -0.03 -0.04 7.13 7.11 1xg7B1 TRP 80 HH2 0.03 0.01 -0.03 -0.04 7.19 7.16 1xg7B1 LYS 81 H 0.18 0.01 -0.23 -0.55 8.42 7.83 1xg7B1 LYS 81 HA -0.36 0.09 0.44 -0.75 4.32 3.74 1xg7B1 LYS 81 HB2 0.01 -0.02 0.07 -0.04 1.87 1.89 1xg7B1 LYS 81 HB3 0.06 0.03 0.07 -0.04 1.79 1.92 1xg7B1 LYS 81 HG2 -0.03 0.05 -0.18 -0.04 1.46 1.26 1xg7B1 LYS 81 HG3 -0.11 0.02 0.01 -0.04 1.46 1.33 1xg7B1 LYS 81 HD2 0.02 -0.00 -0.01 -0.04 1.69 1.65 1xg7B1 LYS 81 HD3 0.04 -0.06 -0.02 -0.04 1.68 1.60 1xg7B1 LYS 81 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 1xg7B1 LYS 81 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 1xg7B1 ALA 82 H 0.18 0.45 -0.17 -0.55 8.40 8.31 1xg7B1 ALA 82 HA 0.13 0.06 0.48 -0.75 4.34 4.26 1xg7B1 ALA 82 HB3 0.37 0.02 0.10 -0.04 1.41 1.86 1xg7B1 TYR 83 H 0.41 0.53 -0.18 -0.55 8.29 8.50 1xg7B1 TYR 83 HA 0.29 0.00 0.47 -0.75 4.56 4.57 1xg7B1 TYR 83 HB2 0.20 0.09 0.13 -0.04 3.06 3.43 1xg7B1 TYR 83 HB3 0.15 -0.03 -0.01 -0.04 2.98 3.05 1xg7B1 TYR 83 HD2 0.27 0.12 0.01 -0.04 7.15 7.51 1xg7B1 TYR 83 HE2 0.29 -0.00 -0.06 -0.04 6.85 7.03 1xg7B1 GLY 84 H -0.03 0.43 -0.18 -0.55 8.43 8.11 1xg7B1 GLY 84 HA2 -0.05 -0.01 0.44 -0.51 4.01 3.87 1xg7B1 GLY 84 HA3 -0.19 0.02 0.29 -0.51 4.01 3.62 1xg7B1 GLU 85 H -0.00 0.35 -0.29 -0.55 8.60 8.11 1xg7B1 GLU 85 HA -0.01 0.06 0.71 -0.75 4.29 4.30 1xg7B1 GLU 85 HB2 0.07 0.14 0.17 -0.04 2.09 2.43 1xg7B1 GLU 85 HB3 0.08 -0.02 -0.01 -0.04 1.99 2.00 1xg7B1 GLU 85 HG2 0.01 -0.03 0.02 -0.04 2.34 2.30 1xg7B1 GLU 85 HG3 -0.02 -0.03 -0.03 -0.04 2.34 2.22 1xg7B1 PHE 86 H 0.02 0.39 -0.01 -0.55 8.34 8.19 1xg7B1 PHE 86 HA -0.55 0.04 0.29 -0.75 4.62 3.64 1xg7B1 PHE 86 HB2 -1.13 0.06 0.04 -0.04 3.15 2.08 1xg7B1 PHE 86 HB3 -0.47 -0.05 0.17 -0.04 3.06 2.67 1xg7B1 PHE 86 HD2 -0.80 0.00 -0.05 -0.04 7.28 6.39 1xg7B1 PHE 86 HE2 -0.05 -0.02 -0.10 -0.04 7.38 7.17 1xg7B1 PHE 86 HZ -0.21 -0.08 -0.29 -0.04 7.32 6.70 1xg7B1 LEU 87 H -0.07 0.61 0.07 -0.55 8.37 8.43 1xg7B1 LEU 87 HA -0.44 -0.05 0.18 -0.75 4.35 3.29 1xg7B1 LEU 87 HB2 -0.06 0.04 0.11 -0.04 1.64 1.69 1xg7B1 LEU 87 HB3 -0.16 0.06 0.07 -0.04 1.64 1.57 1xg7B1 LEU 87 HG 0.16 0.05 0.12 -0.04 1.64 1.93 1xg7B1 LEU 87 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 1xg7B1 LEU 87 HD23 -0.08 0.00 -0.01 -0.04 0.89 0.77 1xg7B1 PRO 88 HA -0.08 0.00 0.42 -0.51 4.44 4.27 1xg7B1 PRO 88 HB2 -0.04 0.08 -0.05 -0.04 2.28 2.23 1xg7B1 PRO 88 HB3 -0.04 -0.07 0.08 -0.04 2.02 1.95 1xg7B1 PRO 88 HG2 -0.04 0.25 0.08 -0.04 2.03 2.28 1xg7B1 PRO 88 HG3 -0.04 -0.13 0.04 -0.04 2.03 1.86 1xg7B1 PRO 88 HD2 -0.05 0.19 -0.66 -0.04 3.68 3.12 1xg7B1 PRO 88 HD3 -0.05 0.04 0.03 -0.04 3.65 3.63 1xg7B1 LYS 89 H -0.07 0.34 -0.39 -0.55 8.42 7.74 1xg7B1 LYS 89 HA -0.02 0.13 0.84 -0.75 4.32 4.51 1xg7B1 LYS 89 HB2 0.02 0.14 0.05 -0.04 1.87 2.04 1xg7B1 LYS 89 HB3 0.03 -0.09 0.11 -0.04 1.79 1.79 1xg7B1 LYS 89 HG2 0.00 -0.05 -0.00 -0.04 1.46 1.37 1xg7B1 LYS 89 HG3 -0.01 -0.03 -0.12 -0.04 1.46 1.27 1xg7B1 LYS 89 HD2 0.04 0.15 0.01 -0.04 1.69 1.85 1xg7B1 LYS 89 HD3 0.04 -0.06 0.00 -0.04 1.68 1.62 1xg7B1 LYS 89 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.91 1xg7B1 LYS 89 HE3 0.01 0.01 0.00 -0.04 2.99 2.97 1xg7B1 SER 90 H -0.15 0.36 -0.25 -0.55 8.46 7.88 1xg7B1 SER 90 HA -0.01 0.02 0.40 -0.75 4.49 4.14 1xg7B1 SER 90 HB2 -0.07 -0.24 -0.02 -0.04 3.95 3.58 1xg7B1 SER 90 HB3 -0.49 0.16 -0.03 -0.04 3.93 3.52 1xg7B1 LYS 91 H 0.07 0.08 0.14 -0.55 8.42 8.15 1xg7B1 LYS 91 HA -0.00 0.23 0.77 -0.75 4.32 4.58 1xg7B1 LYS 91 HB2 0.09 -0.11 0.13 -0.04 1.87 1.94 1xg7B1 LYS 91 HB3 0.04 0.02 0.03 -0.04 1.79 1.84 1xg7B1 ASN 92 H 0.11 0.05 -0.02 -0.55 8.53 8.12 1xg7B1 ASN 92 HA -0.03 0.34 -0.10 -0.75 4.76 4.22 1xg7B1 ASN 92 HB2 0.41 0.04 -0.05 -0.04 2.88 3.24 1xg7B1 ASN 92 HB3 0.15 -0.04 -0.09 -0.04 2.79 2.76 1xg7B1 ASN 92 HD21 0.16 0.05 -0.12 -0.04 7.03 7.08 1xg7B1 ASN 92 HD22 0.26 0.05 -0.12 -0.04 7.74 7.89 1xg7B1 ASN 93 H -0.24 0.16 -0.37 -0.55 8.53 7.53 1xg7B1 ASN 93 HA -0.53 0.05 0.62 -0.75 4.76 4.14 1xg7B1 ASN 93 HB2 -2.22 -0.07 -0.27 -0.04 2.88 0.28 1xg7B1 ASN 93 HB3 -1.09 0.01 0.08 -0.04 2.79 1.76 1xg7B1 ASN 93 HD21 -0.61 0.57 0.14 -0.04 7.03 7.08 1xg7B1 ASN 93 HD22 -1.24 -0.12 -0.04 -0.04 7.74 6.30 1xg7B1 ARG 94 H -0.21 0.17 -0.21 -0.55 8.46 7.66 1xg7B1 ARG 94 HA -0.17 0.22 0.72 -0.75 4.34 4.35 1xg7B1 ARG 94 HB2 -0.12 0.18 -0.06 -0.04 1.90 1.86 1xg7B1 ARG 94 HB3 -0.10 -0.05 0.18 -0.04 1.80 1.79 1xg7B1 ARG 94 HG2 -0.08 -0.16 0.06 -0.04 1.67 1.44 1xg7B1 ARG 94 HG3 -0.10 0.13 0.06 -0.04 1.67 1.72 1xg7B1 ARG 94 HD2 -0.05 -0.12 0.08 -0.04 3.22 3.09 1xg7B1 ARG 94 HD3 -0.05 -0.03 0.09 -0.04 3.22 3.19 1xg7B1 ARG 95 H -0.22 0.44 -0.35 -0.55 8.46 7.77 1xg7B1 ARG 95 HA -0.10 0.04 0.71 -0.75 4.34 4.24 1xg7B1 ARG 95 HB2 -0.12 0.06 -0.23 -0.04 1.90 1.56 1xg7B1 ARG 95 HB3 -0.19 0.17 -0.09 -0.04 1.80 1.65 1xg7B1 ARG 95 HG2 -0.11 0.03 -0.22 -0.04 1.67 1.33 1xg7B1 ARG 95 HG3 -0.07 -0.15 0.03 -0.04 1.67 1.43 1xg7B1 ARG 95 HD2 -0.10 0.17 -0.15 -0.04 3.22 3.10 1xg7B1 ARG 95 HD3 -0.05 -0.10 -0.03 -0.04 3.22 2.99 1xg7B1 LEU 96 H -0.07 0.15 0.13 -0.55 8.37 8.03 1xg7B1 LEU 96 HA -0.03 -0.04 0.35 -0.75 4.35 3.88 1xg7B1 LEU 96 HB2 -0.13 0.29 -0.16 -0.04 1.64 1.60 1xg7B1 LEU 96 HB3 -0.00 -0.09 0.21 -0.04 1.64 1.73 1xg7B1 LEU 96 HG -0.03 -0.01 -0.02 -0.04 1.64 1.55 1xg7B1 LEU 96 HD13 0.07 0.02 -0.03 -0.04 0.93 0.95 1xg7B1 LEU 96 HD23 0.01 -0.01 0.05 -0.04 0.89 0.91 1xg7B1 ILE 97 H -0.06 0.10 -0.15 -0.55 8.25 7.59 1xg7B1 ILE 97 HA -0.07 0.19 0.30 -0.75 4.18 3.85 1xg7B1 ILE 97 HB -0.04 -0.05 0.04 -0.04 1.89 1.80 1xg7B1 ILE 97 HG12 -0.11 0.12 -0.09 -0.04 1.49 1.37 1xg7B1 ILE 97 HG13 -0.11 -0.13 -0.28 -0.04 1.21 0.64 1xg7B1 ILE 97 HG23 -0.02 0.02 -0.13 -0.04 0.93 0.77 1xg7B1 ILE 97 HD13 -0.08 0.03 -0.15 -0.04 0.88 0.63 1xg7B1 GLU 98 H 0.00 0.09 -0.04 -0.55 8.60 8.10 1xg7B1 GLU 98 HA 0.06 0.10 0.44 -0.75 4.29 4.14 1xg7B1 GLU 98 HB2 0.03 0.04 0.10 -0.04 2.09 2.22 1xg7B1 GLU 98 HB3 0.02 -0.05 0.07 -0.04 1.99 1.99 1xg7B1 GLU 98 HG2 0.05 0.02 -0.25 -0.04 2.34 2.12 1xg7B1 GLU 98 HG3 0.07 0.01 0.01 -0.04 2.34 2.38 1xg7B1 ALA 99 H 0.03 0.07 -0.29 -0.55 8.40 7.66 1xg7B1 ALA 99 HA 0.05 0.06 0.40 -0.75 4.34 4.10 1xg7B1 ALA 99 HB3 0.07 0.04 0.06 -0.04 1.41 1.53 1xg7B1 LYS 100 H 0.02 0.48 -0.07 -0.55 8.42 8.29 1xg7B1 LYS 100 HA 0.08 0.05 0.56 -0.75 4.32 4.26 1xg7B1 LYS 100 HB2 -0.06 0.05 0.20 -0.04 1.87 2.03 1xg7B1 LYS 100 HB3 -0.05 -0.04 0.05 -0.04 1.79 1.71 1xg7B1 LYS 100 HG2 -0.29 -0.05 0.13 -0.04 1.46 1.21 1xg7B1 LYS 100 HG3 -0.16 -0.07 0.12 -0.04 1.46 1.31 1xg7B1 LYS 100 HD2 -0.27 0.09 -0.04 -0.04 1.69 1.42 1xg7B1 LYS 100 HD3 -0.37 -0.01 0.09 -0.04 1.68 1.35 1xg7B1 LYS 100 HE2 -1.25 -0.05 0.05 -0.04 2.99 1.70 1xg7B1 LYS 100 HE3 -0.76 -0.19 0.02 -0.04 2.99 2.02 1xg7B1 LEU 101 H 0.09 0.74 -0.00 -0.55 8.37 8.65 1xg7B1 LEU 101 HA 0.25 -0.00 0.49 -0.75 4.35 4.33 1xg7B1 LEU 101 HB2 0.20 0.10 0.11 -0.04 1.64 2.01 1xg7B1 LEU 101 HB3 0.42 -0.07 -0.01 -0.04 1.64 1.94 1xg7B1 LEU 101 HG 0.08 0.17 0.03 -0.04 1.64 1.88 1xg7B1 LEU 101 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.84 1xg7B1 LEU 101 HD23 0.13 0.03 -0.23 -0.04 0.89 0.79 1xg7B1 ASN 102 H 0.13 0.45 -0.25 -0.55 8.53 8.31 1xg7B1 ASN 102 HA 0.04 -0.01 0.59 -0.75 4.76 4.63 1xg7B1 ASN 102 HB2 0.07 0.14 0.20 -0.04 2.88 3.24 1xg7B1 ASN 102 HB3 0.03 0.10 0.04 -0.04 2.79 2.92 1xg7B1 ASN 102 HD21 -0.01 -0.02 0.00 -0.04 7.03 6.95 1xg7B1 ASN 102 HD22 -0.00 0.05 -0.03 -0.04 7.74 7.72 1xg7B1 ARG 103 H 0.06 0.46 -0.14 -0.55 8.46 8.29 1xg7B1 ARG 103 HA -0.00 0.06 0.55 -0.75 4.34 4.19 1xg7B1 ARG 103 HB2 0.07 0.15 0.18 -0.04 1.90 2.26 1xg7B1 ARG 103 HB3 0.03 -0.04 -0.01 -0.04 1.80 1.75 1xg7B1 ARG 103 HG2 0.01 -0.00 0.06 -0.04 1.67 1.70 1xg7B1 ARG 103 HG3 0.05 0.08 0.09 -0.04 1.67 1.85 1xg7B1 ARG 103 HD2 0.04 -0.08 -0.01 -0.04 3.22 3.14 1xg7B1 ARG 103 HD3 0.22 -0.02 -0.00 -0.04 3.22 3.38 1xg7B1 ILE 104 H 0.08 0.47 -0.20 -0.55 8.25 8.05 1xg7B1 ILE 104 HA 0.00 0.02 0.46 -0.75 4.18 3.91 1xg7B1 ILE 104 HB 0.24 0.11 0.14 -0.04 1.89 2.34 1xg7B1 ILE 104 HG12 -0.22 -0.04 -0.05 -0.04 1.49 1.15 1xg7B1 ILE 104 HG13 -0.07 0.14 -0.02 -0.04 1.21 1.23 1xg7B1 ILE 104 HG23 0.16 -0.03 -0.21 -0.04 0.93 0.81 1xg7B1 ILE 104 HD13 -0.53 -0.00 -0.09 -0.04 0.88 0.21 1xg7B1 ARG 105 H -0.03 0.57 -0.12 -0.55 8.46 8.33 1xg7B1 ARG 105 HA -0.45 -0.10 0.42 -0.75 4.34 3.45 1xg7B1 ARG 105 HB2 -0.94 0.08 0.18 -0.04 1.90 1.18 1xg7B1 ARG 105 HB3 -0.35 0.20 0.15 -0.04 1.80 1.77 1xg7B1 ARG 105 HG2 -0.52 0.00 -0.06 -0.04 1.67 1.05 1xg7B1 ARG 105 HG3 -1.42 -0.09 0.05 -0.04 1.67 0.17 1xg7B1 ARG 105 HD2 -0.57 -0.03 -0.01 -0.04 3.22 2.57 1xg7B1 ARG 105 HD3 -0.98 -0.02 -0.00 -0.04 3.22 2.18 1xg7B1 LYS 106 H -0.09 0.43 -0.34 -0.55 8.42 7.86 1xg7B1 LYS 106 HA -0.08 0.00 0.38 -0.75 4.32 3.87 1xg7B1 LYS 106 HB2 -0.05 0.12 0.15 -0.04 1.87 2.05 1xg7B1 LYS 106 HB3 -0.06 0.04 -0.01 -0.04 1.79 1.73 1xg7B1 LYS 106 HG2 -0.07 -0.06 0.05 -0.04 1.46 1.34 1xg7B1 LYS 106 HG3 -0.08 0.12 0.10 -0.04 1.46 1.56 1xg7B1 LYS 106 HD2 -0.04 -0.02 0.06 -0.04 1.69 1.65 1xg7B1 LYS 106 HD3 -0.05 0.10 0.05 -0.04 1.68 1.74 1xg7B1 LYS 106 HE2 -0.03 -0.05 -0.02 -0.04 2.99 2.85 1xg7B1 LYS 106 HE3 -0.03 0.01 -0.16 -0.04 2.99 2.77 1xg7B1 VAL 107 H -0.01 0.52 -0.06 -0.55 8.24 8.14 1xg7B1 VAL 107 HA 0.05 0.06 0.55 -0.75 4.13 4.04 1xg7B1 VAL 107 HB -0.00 0.10 0.07 -0.04 2.12 2.24 1xg7B1 VAL 107 HG13 0.02 0.01 0.01 -0.04 0.97 0.97 1xg7B1 VAL 107 HG23 0.09 -0.03 -0.05 -0.04 0.95 0.92 1xg7B1 GLU 108 H 0.02 0.72 -0.10 -0.55 8.60 8.70 1xg7B1 GLU 108 HA 0.07 -0.04 0.36 -0.75 4.29 3.93 1xg7B1 GLU 108 HB2 0.09 0.15 0.11 -0.04 2.09 2.40 1xg7B1 GLU 108 HB3 0.01 0.14 0.11 -0.04 1.99 2.21 1xg7B1 GLU 108 HG2 0.08 0.06 -0.00 -0.04 2.34 2.44 1xg7B1 GLU 108 HG3 0.13 -0.12 0.07 -0.04 2.34 2.39 1xg7B1 GLY 109 H 0.00 0.40 -0.29 -0.55 8.43 8.00 1xg7B1 GLY 109 HA2 0.01 -0.00 0.44 -0.51 4.01 3.95 1xg7B1 GLY 109 HA3 0.01 0.11 0.27 -0.51 4.01 3.89 1xg7B1 PHE 110 H 0.18 0.30 -0.19 -0.55 8.34 8.07 1xg7B1 PHE 110 HA -0.00 0.03 0.54 -0.75 4.62 4.43 1xg7B1 PHE 110 HB2 -0.03 0.01 0.11 -0.04 3.15 3.19 1xg7B1 PHE 110 HB3 -0.04 0.16 0.22 -0.04 3.06 3.36 1xg7B1 PHE 110 HD2 -0.04 0.02 -0.03 -0.04 7.28 7.18 1xg7B1 PHE 110 HE2 -0.11 -0.02 -0.07 -0.04 7.38 7.14 1xg7B1 PHE 110 HZ -0.48 -0.03 -0.07 -0.04 7.32 6.69 1xg7B1 LEU 111 H 0.08 0.69 0.02 -0.55 8.37 8.61 1xg7B1 LEU 111 HA -0.29 0.00 0.36 -0.75 4.35 3.66 1xg7B1 LEU 111 HB2 0.03 0.04 0.08 -0.04 1.64 1.74 1xg7B1 LEU 111 HB3 -0.01 -0.06 0.01 -0.04 1.64 1.54 1xg7B1 LEU 111 HG 0.14 0.21 -0.05 -0.04 1.64 1.90 1xg7B1 LEU 111 HD13 0.06 -0.04 -0.07 -0.04 0.93 0.83 1xg7B1 LEU 111 HD23 -0.00 -0.02 -0.05 -0.04 0.89 0.77 1xg7B1 SER 112 H -0.01 0.49 -0.29 -0.55 8.46 8.11 1xg7B1 SER 112 HA 0.00 0.00 0.37 -0.75 4.49 4.11 1xg7B1 SER 112 HB2 0.01 0.13 0.13 -0.04 3.95 4.18 1xg7B1 SER 112 HB3 0.02 -0.07 0.08 -0.04 3.93 3.91 1xg7B1 THR 113 H -0.08 0.32 -0.49 -0.55 8.28 7.48 1xg7B1 THR 113 HA -0.02 0.04 0.47 -0.75 4.39 4.12 1xg7B1 THR 113 HB -0.02 -0.10 0.12 -0.04 4.32 4.28 1xg7B1 THR 113 HG23 -0.00 0.04 0.07 -0.04 1.22 1.28 1xg7B1 LEU 114 H -0.07 0.59 -0.38 -0.55 8.37 7.96 1xg7B1 LEU 114 HA -0.03 0.02 0.45 -0.75 4.35 4.04 1xg7B1 LEU 114 HB2 -0.06 0.11 0.10 -0.04 1.64 1.74 1xg7B1 LEU 114 HB3 0.01 -0.10 -0.07 -0.04 1.64 1.44 1xg7B1 LEU 114 HG -0.39 0.21 0.03 -0.04 1.64 1.45 1xg7B1 LEU 114 HD13 -0.35 -0.03 -0.11 -0.04 0.93 0.40 1xg7B1 LEU 114 HD23 -0.12 -0.02 -0.20 -0.04 0.89 0.52 1xg7B1 THR 115 H 0.02 0.05 0.21 -0.55 8.28 8.01 1xg7B1 THR 115 HA 0.04 0.28 0.81 -0.75 4.39 4.76 1xg7B1 THR 115 HB 0.04 -0.04 0.19 -0.04 4.32 4.47 1xg7B1 THR 115 HG23 0.02 0.07 0.04 -0.04 1.22 1.31 1xg7B1 LEU 116 H 0.08 0.21 0.17 -0.55 8.37 8.28 1xg7B1 LEU 116 HA 0.19 0.11 0.39 -0.75 4.35 4.28 1xg7B1 LEU 116 HB2 0.11 -0.01 0.16 -0.04 1.64 1.87 1xg7B1 LEU 116 HB3 0.12 0.02 0.11 -0.04 1.64 1.86 1xg7B1 LEU 116 HG 0.36 0.04 -0.06 -0.04 1.64 1.94 1xg7B1 LEU 116 HD13 0.18 -0.01 -0.06 -0.04 0.93 1.00 1xg7B1 LEU 116 HD23 0.14 0.02 0.01 -0.04 0.89 1.02 1xg7B1 LYS 117 H 0.07 0.06 -0.19 -0.55 8.42 7.81 1xg7B1 LYS 117 HA 0.01 0.15 0.40 -0.75 4.32 4.13 1xg7B1 LYS 117 HB2 0.03 -0.01 0.09 -0.04 1.87 1.94 1xg7B1 LYS 117 HB3 0.01 0.03 -0.00 -0.04 1.79 1.79 1xg7B1 LYS 117 HG2 -0.01 0.04 -0.00 -0.04 1.46 1.44 1xg7B1 LYS 117 HG3 -0.03 0.00 0.03 -0.04 1.46 1.42 1xg7B1 LYS 117 HD2 0.00 -0.01 -0.03 -0.04 1.69 1.61 1xg7B1 LYS 117 HD3 0.02 0.00 -0.00 -0.04 1.68 1.65 1xg7B1 LYS 117 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 1xg7B1 LYS 117 HE3 -0.04 0.01 -0.01 -0.04 2.99 2.90 1xg7B1 ASP 118 H 0.04 0.04 -0.22 -0.55 8.40 7.72 1xg7B1 ASP 118 HA -0.03 0.07 0.39 -0.75 4.63 4.31 1xg7B1 ASP 118 HB2 0.05 0.10 0.14 -0.04 2.71 2.95 1xg7B1 ASP 118 HB3 0.02 0.06 -0.02 -0.04 2.70 2.72 1xg7B1 LEU 119 H 0.17 0.41 -0.26 -0.55 8.37 8.13 1xg7B1 LEU 119 HA 0.43 0.04 0.44 -0.75 4.35 4.50 1xg7B1 LEU 119 HB2 0.37 0.13 0.10 -0.04 1.64 2.20 1xg7B1 LEU 119 HB3 0.48 -0.01 -0.05 -0.04 1.64 2.03 1xg7B1 LEU 119 HG 0.17 0.09 -0.08 -0.04 1.64 1.78 1xg7B1 LEU 119 HD13 0.17 -0.02 -0.08 -0.04 0.93 0.96 1xg7B1 LEU 119 HD23 0.23 -0.00 -0.08 -0.04 0.89 1.00 1xg7B1 GLU 120 H 0.10 0.49 -0.10 -0.55 8.60 8.54 1xg7B1 GLU 120 HA -0.35 0.04 0.42 -0.75 4.29 3.64 1xg7B1 GLU 120 HB2 -0.89 0.05 0.11 -0.04 2.09 1.32 1xg7B1 GLU 120 HB3 -0.23 0.11 0.13 -0.04 1.99 1.95 1xg7B1 GLU 120 HG2 -0.28 -0.02 -0.15 -0.04 2.34 1.85 1xg7B1 GLU 120 HG3 -0.87 0.01 0.03 -0.04 2.34 1.46 1xg7B1 GLY 121 H -0.01 0.40 -0.33 -0.55 8.43 7.94 1xg7B1 GLY 121 HA2 -0.04 0.03 0.52 -0.51 4.01 4.01 1xg7B1 GLY 121 HA3 -0.08 0.06 0.26 -0.51 4.01 3.73 1xg7B1 TYR 122 H 0.20 0.45 -0.11 -0.55 8.29 8.28 1xg7B1 TYR 122 HA 0.12 0.04 0.58 -0.75 4.56 4.54 1xg7B1 TYR 122 HB2 0.19 0.13 0.15 -0.04 3.06 3.49 1xg7B1 TYR 122 HB3 -0.08 -0.06 -0.07 -0.04 2.98 2.73 1xg7B1 TYR 122 HD2 0.04 -0.02 -0.06 -0.04 7.15 7.07 1xg7B1 TYR 122 HE2 0.03 -0.00 -0.21 -0.04 6.85 6.62 1xg7B1 TYR 123 H 0.52 0.49 -0.24 -0.55 8.29 8.51 1xg7B1 TYR 123 HA 0.39 0.01 0.44 -0.75 4.56 4.64 1xg7B1 TYR 123 HB2 0.12 -0.02 0.04 -0.04 3.06 3.16 1xg7B1 TYR 123 HB3 -0.00 0.22 0.09 -0.04 2.98 3.24 1xg7B1 TYR 123 HD2 -0.01 -0.02 -0.02 -0.04 7.15 7.06 1xg7B1 TYR 123 HE2 -0.05 0.06 -0.06 -0.04 6.85 6.76 1xg7B1 LYS 124 H 0.09 0.31 -0.31 -0.55 8.42 7.95 1xg7B1 LYS 124 HA -0.17 0.09 0.57 -0.75 4.32 4.05 1xg7B1 LYS 124 HB2 -0.03 0.07 0.13 -0.04 1.87 2.00 1xg7B1 LYS 124 HB3 -0.06 -0.07 0.08 -0.04 1.79 1.70 1xg7B1 LYS 124 HG2 -0.14 -0.02 -0.00 -0.04 1.46 1.26 1xg7B1 LYS 124 HG3 -0.09 0.19 0.03 -0.04 1.46 1.55 1xg7B1 LYS 124 HD2 -0.07 -0.03 -0.03 -0.04 1.69 1.52 1xg7B1 LYS 124 HD3 -0.07 -0.04 -0.00 -0.04 1.68 1.53 1xg7B1 LYS 124 HE2 -0.08 -0.00 -0.04 -0.04 2.99 2.83 1xg7B1 LYS 124 HE3 -0.11 0.04 -0.08 -0.04 2.99 2.81 1xg7B1 ASN 125 H 0.13 0.26 -0.60 -0.55 8.53 7.77 1xg7B1 ASN 125 HA 0.06 0.12 0.81 -0.75 4.76 4.99 1xg7B1 ASN 125 HB2 0.07 0.04 0.22 -0.04 2.88 3.16 1xg7B1 ASN 125 HB3 0.07 -0.16 0.16 -0.04 2.79 2.82 1xg7B1 ASN 125 HD21 -0.04 -0.07 -0.06 -0.04 7.03 6.83 1xg7B1 ASN 125 HD22 -0.04 0.51 0.05 -0.04 7.74 8.23 1xg7B1 MET 126 H 0.12 0.27 -0.07 -0.55 8.47 8.24 1xg7B1 MET 126 HA 0.25 0.19 0.32 -0.75 4.52 4.53 1xg7B1 MET 126 HB2 0.15 0.01 0.13 -0.04 2.15 2.40 1xg7B1 MET 126 HB3 0.19 -0.07 0.07 -0.04 2.03 2.18 1xg7B1 MET 126 HG2 0.54 -0.04 0.01 -0.04 2.63 3.10 1xg7B1 MET 126 HG3 0.32 0.22 0.08 -0.04 2.56 3.14 1xg7B1 MET 126 HE3 -0.07 0.09 -0.06 -0.04 2.10 2.02 1xg7B1 LYS 127 H 0.15 0.13 -0.19 -0.55 8.42 7.95 1xg7B1 LYS 127 HA 0.41 0.08 0.55 -0.75 4.32 4.60 1xg7B1 LYS 127 HB2 0.25 0.05 -0.01 -0.04 1.87 2.12 1xg7B1 LYS 127 HB3 0.36 0.00 0.07 -0.04 1.79 2.19 1xg7B1 MET 128 H 0.18 0.33 -0.21 -0.55 8.47 8.23 1xg7B1 MET 128 HA 0.13 0.02 0.45 -0.75 4.52 4.37 1xg7B1 MET 128 HB2 0.26 0.26 0.16 -0.04 2.15 2.79 1xg7B1 MET 128 HB3 0.23 -0.02 0.03 -0.04 2.03 2.22 1xg7B1 MET 128 HG2 0.10 -0.11 0.05 -0.04 2.63 2.63 1xg7B1 MET 128 HG3 0.05 0.05 0.05 -0.04 2.56 2.68 1xg7B1 MET 128 HE3 0.03 0.01 -0.00 -0.04 2.10 2.09 1xg7B1 LEU 129 H 0.25 0.34 -0.14 -0.55 8.37 8.27 1xg7B1 LEU 129 HA -0.28 0.04 0.48 -0.75 4.35 3.84 1xg7B1 LEU 129 HB2 -0.17 0.03 0.07 -0.04 1.64 1.53 1xg7B1 LEU 129 HB3 -0.03 0.14 0.13 -0.04 1.64 1.84 1xg7B1 LEU 129 HG -0.27 -0.02 -0.23 -0.04 1.64 1.08 1xg7B1 LEU 129 HD13 -0.63 -0.02 -0.02 -0.04 0.93 0.23 1xg7B1 LEU 129 HD23 -1.08 0.00 -0.09 -0.04 0.89 -0.31 1xg7B1 TRP 130 H 0.27 0.53 -0.09 -0.55 7.97 8.12 1xg7B1 TRP 130 HA -0.08 0.02 0.39 -0.75 4.62 4.19 1xg7B1 TRP 130 HB2 -0.01 0.05 0.14 -0.04 3.23 3.37 1xg7B1 TRP 130 HB3 -0.01 0.12 0.23 -0.04 3.23 3.53 1xg7B1 TRP 130 HD1 -0.04 -0.05 -0.05 -0.04 7.22 7.04 1xg7B1 TRP 130 HE1 -0.02 0.25 0.10 -0.04 10.20 10.49 1xg7B1 TRP 130 HE3 0.01 -0.04 0.04 -0.04 7.59 7.56 1xg7B1 TRP 130 HZ2 0.00 0.03 0.01 -0.04 7.44 7.44 1xg7B1 TRP 130 HZ3 0.01 -0.05 -0.10 -0.04 7.13 6.95 1xg7B1 TRP 130 HH2 0.01 0.04 -0.03 -0.04 7.19 7.16 1xg7B1 LYS 131 H 0.06 0.58 -0.10 -0.55 8.42 8.40 1xg7B1 LYS 131 HA -0.39 -0.01 0.38 -0.75 4.32 3.54 1xg7B1 LYS 131 HB2 -0.04 0.09 0.18 -0.04 1.87 2.06 1xg7B1 LYS 131 HB3 -0.14 -0.02 0.02 -0.04 1.79 1.61 1xg7B1 LYS 131 HG2 -0.32 -0.04 0.02 -0.04 1.46 1.08 1xg7B1 LYS 131 HG3 -0.40 -0.04 0.06 -0.04 1.46 1.04 1xg7B1 LYS 131 HD2 0.03 0.07 -0.13 -0.04 1.69 1.61 1xg7B1 LYS 131 HD3 -0.06 -0.02 -0.03 -0.04 1.68 1.54 1xg7B1 LYS 131 HE2 -0.08 -0.01 -0.02 -0.04 2.99 2.84 1xg7B1 LYS 131 HE3 -0.08 -0.01 -0.01 -0.04 2.99 2.85 1xg7B1 ALA 132 H -0.04 0.69 -0.08 -0.55 8.40 8.41 1xg7B1 ALA 132 HA -0.16 -0.03 0.43 -0.75 4.34 3.83 1xg7B1 ALA 132 HB3 -0.20 0.02 0.12 -0.04 1.41 1.32 1xg7B1 LEU 133 H -0.20 0.74 -0.13 -0.55 8.37 8.24 1xg7B1 LEU 133 HA -0.32 -0.01 0.43 -0.75 4.35 3.69 1xg7B1 LEU 133 HB2 -0.05 0.08 0.10 -0.04 1.64 1.73 1xg7B1 LEU 133 HB3 -0.09 -0.08 0.00 -0.04 1.64 1.43 1xg7B1 LEU 133 HG -0.23 0.22 0.03 -0.04 1.64 1.63 1xg7B1 LEU 133 HD13 -0.08 -0.02 -0.11 -0.04 0.93 0.68 1xg7B1 LEU 133 HD23 -0.23 -0.02 -0.06 -0.04 0.89 0.54 1xg7B1 ILE 134 H -0.16 0.68 -0.06 -0.55 8.25 8.16 1xg7B1 ILE 134 HA -0.11 -0.11 0.45 -0.75 4.18 3.66 1xg7B1 ILE 134 HB -0.27 0.13 0.14 -0.04 1.89 1.85 1xg7B1 ILE 134 HG12 -0.13 -0.02 -0.23 -0.04 1.49 1.07 1xg7B1 ILE 134 HG13 -0.16 0.11 0.01 -0.04 1.21 1.13 1xg7B1 ILE 134 HG23 -0.17 -0.01 -0.21 -0.04 0.93 0.50 1xg7B1 ILE 134 HD13 -0.82 -0.03 -0.15 -0.04 0.88 -0.16 1xg7B1 LYS 135 H -0.17 0.72 -0.06 -0.55 8.42 8.35 1xg7B1 LYS 135 HA -0.11 -0.02 0.42 -0.75 4.32 3.85 1xg7B1 LYS 135 HB2 -0.12 -0.04 0.09 -0.04 1.87 1.75 1xg7B1 LYS 135 HB3 -0.16 0.20 0.22 -0.04 1.79 2.01 1xg7B1 ILE 136 H -0.22 0.53 -0.00 -0.55 8.25 8.01 1xg7B1 ILE 136 HA -0.11 0.06 0.33 -0.75 4.18 3.70 1xg7B1 ILE 136 HB -0.13 -0.01 0.05 -0.04 1.89 1.76 1xg7B1 ILE 136 HG12 -0.29 0.04 0.11 -0.04 1.49 1.31 1xg7B1 ILE 136 HG13 -0.16 0.00 -0.26 -0.04 1.21 0.75 1xg7B1 ILE 136 HG23 -0.35 0.06 0.04 -0.04 0.93 0.64 1xg7B1 ILE 136 HD13 -0.51 -0.02 -0.03 -0.04 0.88 0.27 1xg7B1 MET 137 H -0.13 0.49 -0.17 -0.55 8.47 8.12 1xg7B1 MET 137 HA -0.07 0.09 0.57 -0.75 4.52 4.36 1xg7B1 MET 137 HB2 -0.07 0.01 0.04 -0.04 2.15 2.08 1xg7B1 MET 137 HB3 -0.06 -0.08 0.03 -0.04 2.03 1.89 1xg7B1 MET 137 HG2 -0.12 0.10 0.09 -0.04 2.63 2.65 1xg7B1 MET 137 HG3 -0.06 -0.09 -0.02 -0.04 2.56 2.35 1xg7B1 MET 137 HE3 -0.02 0.01 0.04 -0.04 2.10 2.09 1xg7B1 GLY 138 H -0.09 0.48 -0.12 -0.55 8.43 8.15 1xg7B1 GLY 138 HA2 -0.07 0.06 0.33 -0.51 4.01 3.81 1xg7B1 GLY 138 HA3 -0.06 0.02 0.45 -0.51 4.01 3.91 1xg7B1 SER 139 H -0.08 0.24 0.14 -0.55 8.46 8.22 1xg7B1 SER 139 HA -0.05 0.18 0.67 -0.75 4.49 4.53 1xg7B1 ARG 140 H -0.02 0.04 0.16 -0.55 8.46 8.09 1xg7B1 ARG 140 HA -0.03 0.24 0.81 -0.75 4.34 4.60 1xg7B1 GLU 141 H -0.01 0.19 0.13 -0.55 8.60 8.37 1xg7B1 GLU 141 HA -0.01 0.14 0.47 -0.75 4.29 4.13 1xg7B1 ASP 142 H 0.11 0.02 -0.17 -0.55 8.40 7.81 1xg7B1 ASP 142 HA 0.17 0.29 0.64 -0.75 4.63 4.98 1xg7B1 SER 143 H 0.10 0.23 -0.57 -0.55 8.46 7.68 1xg7B1 SER 143 HA 0.03 0.02 0.55 -0.75 4.49 4.34 1xg7B1 SER 143 HB2 0.02 -0.12 0.18 -0.04 3.95 3.99 1xg7B1 SER 143 HB3 0.08 0.22 0.09 -0.04 3.93 4.28 1xg7B1 LYS 144 H 0.03 0.19 0.21 -0.55 8.42 8.30 1xg7B1 LYS 144 HA 0.05 0.03 0.51 -0.75 4.32 4.16 1xg7B1 THR 145 H 0.02 0.07 -0.14 -0.55 8.28 7.68 1xg7B1 THR 145 HA 0.15 0.13 0.13 -0.75 4.39 4.05 1xg7B1 THR 145 HB -0.02 -0.05 0.03 -0.04 4.32 4.24 1xg7B1 THR 145 HG23 0.15 0.08 -0.13 -0.04 1.22 1.28 1xg7B1 ILE 146 H 0.06 0.01 -0.26 -0.55 8.25 7.51 1xg7B1 ILE 146 HA 0.07 0.11 0.41 -0.75 4.18 4.02 1xg7B1 ILE 146 HB 0.16 0.08 0.02 -0.04 1.89 2.11 1xg7B1 ILE 146 HG12 0.02 -0.13 -0.01 -0.04 1.49 1.33 1xg7B1 ILE 146 HG13 0.02 0.04 -0.08 -0.04 1.21 1.14 1xg7B1 ILE 146 HG23 0.24 0.01 -0.15 -0.04 0.93 0.99 1xg7B1 ILE 146 HD13 -0.00 0.02 -0.15 -0.04 0.88 0.70 1xg7B1 VAL 147 H 0.09 0.47 -0.22 -0.55 8.24 8.03 1xg7B1 VAL 147 HA -0.13 0.02 0.40 -0.75 4.13 3.67 1xg7B1 VAL 147 HB -0.20 0.07 -0.02 -0.04 2.12 1.93 1xg7B1 VAL 147 HG13 -0.04 0.01 -0.01 -0.04 0.97 0.90 1xg7B1 VAL 147 HG23 0.01 0.03 -0.13 -0.04 0.95 0.82 1xg7B1 PHE 148 H 0.15 0.66 -0.10 -0.55 8.34 8.49 1xg7B1 PHE 148 HA -0.18 -0.01 0.52 -0.75 4.62 4.20 1xg7B1 PHE 148 HB2 -0.07 -0.06 0.08 -0.04 3.15 3.07 1xg7B1 PHE 148 HB3 -0.00 0.14 0.04 -0.04 3.06 3.20 1xg7B1 PHE 148 HD2 -0.04 0.08 -0.03 -0.04 7.28 7.24 1xg7B1 PHE 148 HE2 0.13 0.00 -0.01 -0.04 7.38 7.46 1xg7B1 PHE 148 HZ -0.26 -0.03 -0.03 -0.04 7.32 6.96 1xg7B1 THR 149 H 0.07 0.42 -0.39 -0.55 8.28 7.83 1xg7B1 THR 149 HA -0.09 -0.00 0.50 -0.75 4.39 4.04 1xg7B1 THR 149 HB 0.03 0.15 0.15 -0.04 4.32 4.61 1xg7B1 THR 149 HG23 0.00 -0.01 -0.06 -0.04 1.22 1.11 1xg7B1 VAL 150 H -0.06 0.44 -0.14 -0.55 8.24 7.93 1xg7B1 VAL 150 HA 0.06 0.02 0.46 -0.75 4.13 3.92 1xg7B1 VAL 150 HB -0.16 0.14 0.15 -0.04 2.12 2.21 1xg7B1 VAL 150 HG13 0.05 -0.02 -0.09 -0.04 0.97 0.88 1xg7B1 VAL 150 HG23 0.03 0.02 -0.00 -0.04 0.95 0.95 1xg7B1 LYS 151 H -0.29 0.51 -0.17 -0.55 8.42 7.92 1xg7B1 LYS 151 HA -0.52 0.01 0.45 -0.75 4.32 3.51 1xg7B1 LYS 151 HB2 -0.51 0.06 0.12 -0.04 1.87 1.50 1xg7B1 LYS 151 HB3 -0.58 0.09 0.16 -0.04 1.79 1.42 1xg7B1 LYS 151 HG2 -0.78 -0.04 -0.20 -0.04 1.46 0.40 1xg7B1 LYS 151 HG3 -0.81 -0.03 0.01 -0.04 1.46 0.60 1xg7B1 LYS 151 HD2 -0.30 0.00 0.03 -0.04 1.69 1.39 1xg7B1 LYS 151 HD3 -0.31 -0.04 -0.02 -0.04 1.68 1.27 1xg7B1 LYS 151 HE2 -0.20 -0.05 -0.04 -0.04 2.99 2.65 1xg7B1 LYS 151 HE3 -0.11 0.13 0.00 -0.04 2.99 2.97 1xg7B1 MET 152 H -0.60 0.64 -0.07 -0.55 8.47 7.89 1xg7B1 MET 152 HA -0.64 -0.02 0.47 -0.75 4.52 3.57 1xg7B1 MET 152 HB2 -0.37 0.11 0.07 -0.04 2.15 1.92 1xg7B1 MET 152 HB3 -0.49 -0.04 -0.02 -0.04 2.03 1.44 1xg7B1 MET 152 HG2 -1.63 0.19 0.08 -0.04 2.63 1.24 1xg7B1 MET 152 HG3 -1.04 -0.00 -0.00 -0.04 2.56 1.48 1xg7B1 MET 152 HE3 -0.99 0.01 -0.11 -0.04 2.10 0.97 1xg7B1 PHE 153 H 0.01 0.65 -0.16 -0.55 8.34 8.28 1xg7B1 PHE 153 HA -0.10 -0.02 0.49 -0.75 4.62 4.23 1xg7B1 PHE 153 HB2 -0.04 0.01 0.06 -0.04 3.15 3.14 1xg7B1 PHE 153 HB3 -0.01 0.14 0.15 -0.04 3.06 3.30 1xg7B1 PHE 153 HD2 0.06 0.04 -0.09 -0.04 7.28 7.25 1xg7B1 PHE 153 HE2 0.20 0.02 -0.31 -0.04 7.38 7.25 1xg7B1 PHE 153 HZ 0.28 0.20 -0.08 -0.04 7.32 7.67 1xg7B1 GLY 154 H 0.17 0.64 -0.19 -0.55 8.43 8.51 1xg7B1 GLY 154 HA2 -0.08 0.01 0.49 -0.51 4.01 3.92 1xg7B1 GLY 154 HA3 0.26 0.08 0.31 -0.51 4.01 4.15 1xg7B1 TYR 155 H 0.11 0.41 -0.13 -0.55 8.29 8.12 1xg7B1 TYR 155 HA 0.15 0.02 0.43 -0.75 4.56 4.41 1xg7B1 TYR 155 HB2 -0.15 0.16 0.19 -0.04 3.06 3.22 1xg7B1 TYR 155 HB3 -0.13 -0.03 -0.09 -0.04 2.98 2.69 1xg7B1 TYR 155 HD2 0.05 -0.02 -0.13 -0.04 7.15 7.00 1xg7B1 TYR 155 HE2 0.11 -0.10 -0.05 -0.04 6.85 6.77 1xg7B1 ALA 156 H -0.12 0.70 -0.01 -0.55 8.40 8.43 1xg7B1 ALA 156 HA -0.04 0.02 0.39 -0.75 4.34 3.95 1xg7B1 ALA 156 HB3 -0.45 0.01 0.08 -0.04 1.41 1.01 1xg7B1 SER 157 H -0.54 0.68 -0.19 -0.55 8.46 7.86 1xg7B1 SER 157 HA -0.64 -0.04 0.45 -0.75 4.49 3.51 1xg7B1 SER 157 HB2 -1.49 0.11 0.13 -0.04 3.95 2.65 1xg7B1 SER 157 HB3 -0.94 -0.07 0.01 -0.04 3.93 2.90 1xg7B1 ARG 158 H -0.35 0.61 -0.08 -0.55 8.46 8.09 1xg7B1 ARG 158 HA 0.02 0.18 0.50 -0.75 4.34 4.29 1xg7B1 ARG 158 HB2 0.12 0.11 0.19 -0.04 1.90 2.27 1xg7B1 ARG 158 HB3 0.12 0.10 0.11 -0.04 1.80 2.09 1xg7B1 ARG 158 HG2 0.16 -0.03 -0.20 -0.04 1.67 1.56 1xg7B1 ARG 158 HG3 0.29 0.01 -0.08 -0.04 1.67 1.85 1xg7B1 ARG 158 HD2 0.24 0.01 -0.08 -0.04 3.22 3.35 1xg7B1 ARG 158 HD3 0.18 -0.06 -0.08 -0.04 3.22 3.22 1xg7B1 ILE 159 H -0.23 0.47 -0.23 -0.55 8.25 7.71 1xg7B1 ILE 159 HA -0.30 0.05 0.58 -0.75 4.18 3.75 1xg7B1 ILE 159 HB -0.35 0.09 0.12 -0.04 1.89 1.71 1xg7B1 ILE 159 HG12 -0.51 -0.02 -0.03 -0.04 1.49 0.89 1xg7B1 ILE 159 HG13 -0.42 0.03 -0.01 -0.04 1.21 0.77 1xg7B1 ILE 159 HG23 -1.14 -0.01 -0.15 -0.04 0.93 -0.40 1xg7B1 ILE 159 HD13 -0.69 -0.02 -0.23 -0.04 0.88 -0.11 1xg7B1 ALA 160 H -0.46 0.62 0.04 -0.55 8.40 8.05 1xg7B1 ALA 160 HA -0.65 0.05 0.41 -0.75 4.34 3.39 1xg7B1 ALA 160 HB3 -0.50 -0.04 0.09 -0.04 1.41 0.92 1xg7B1 PHE 161 H -0.32 0.63 -0.11 -0.55 8.34 7.99 1xg7B1 PHE 161 HA 0.01 0.11 0.69 -0.75 4.62 4.67 1xg7B1 PHE 161 HB2 0.02 0.10 0.00 -0.04 3.15 3.24 1xg7B1 PHE 161 HB3 0.07 -0.06 0.04 -0.04 3.06 3.07 1xg7B1 PHE 161 HD2 -0.12 0.06 -0.05 -0.04 7.28 7.13 1xg7B1 PHE 161 HE2 -0.03 -0.04 -0.11 -0.04 7.38 7.15 1xg7B1 PHE 161 HZ 0.07 -0.06 -0.05 -0.04 7.32 7.24 1xg7B1 SER 162 H -0.06 0.25 -0.38 -0.55 8.46 7.73 1xg7B1 SER 162 HA 0.01 0.13 0.35 -0.75 4.49 4.23 1xg7B1 SER 162 HB2 0.06 0.12 0.06 -0.04 3.95 4.15 1xg7B1 SER 162 HB3 0.03 -0.09 0.19 -0.04 3.93 4.01 1xg7B1 ARG 163 H 0.18 0.27 -0.07 -0.55 8.46 8.28 1xg7B1 ARG 163 HA 0.13 0.08 0.54 -0.75 4.34 4.34 1xg7B1 ARG 163 HB2 0.26 -0.06 -0.16 -0.04 1.90 1.89 1xg7B1 ARG 163 HB3 0.11 -0.01 -0.08 -0.04 1.80 1.77 1xg7B1 ARG 163 HG2 0.09 0.04 0.05 -0.04 1.67 1.80 1xg7B1 ARG 163 HG3 0.14 0.30 -0.57 -0.04 1.67 1.51 1xg7B1 ARG 163 HD2 0.07 -0.05 -0.09 -0.04 3.22 3.12 1xg7B1 ARG 163 HD3 0.04 -0.05 -0.07 -0.04 3.22 3.10 1xg7B1 PHE 164 H 0.22 0.17 0.09 -0.55 8.34 8.26 1xg7B1 PHE 164 HA 0.15 0.16 0.87 -0.75 4.62 5.04 1xg7B1 PHE 164 HB2 0.01 0.02 -0.03 -0.04 3.15 3.11 1xg7B1 PHE 164 HB3 -0.00 -0.02 0.08 -0.04 3.06 3.08 1xg7B1 PHE 164 HD2 -0.01 0.02 -0.11 -0.04 7.28 7.15 1xg7B1 PHE 164 HE2 -0.01 -0.03 -0.10 -0.04 7.38 7.20 1xg7B1 PHE 164 HZ -0.27 -0.07 -0.06 -0.04 7.32 6.88 1xg7B1 ILE 165 H -0.40 0.30 0.10 -0.55 8.25 7.69 1xg7B1 ILE 165 HA -0.47 0.16 0.71 -0.75 4.18 3.82 1xg7B1 ILE 165 HB -0.97 0.01 0.06 -0.04 1.89 0.95 1xg7B1 ILE 165 HG12 -0.32 0.04 -0.09 -0.04 1.49 1.09 1xg7B1 ILE 165 HG13 -0.48 -0.11 -0.66 -0.04 1.21 -0.08 1xg7B1 ILE 165 HG23 -0.33 0.05 0.00 -0.04 0.93 0.61 1xg7B1 ILE 165 HD13 -0.70 -0.01 -0.19 -0.04 0.88 -0.06 1xg7B1 PRO 166 HA -0.28 -0.00 0.54 -0.51 4.44 4.18 1xg7B1 PRO 166 HB2 0.07 0.14 -0.02 -0.04 2.28 2.43 1xg7B1 PRO 166 HB3 0.06 -0.03 0.10 -0.04 2.02 2.11 1xg7B1 PRO 166 HG2 -0.10 0.02 0.05 -0.04 2.03 1.97 1xg7B1 PRO 166 HG3 -0.03 0.03 0.07 -0.04 2.03 2.06 1xg7B1 PRO 166 HD2 -0.28 0.13 0.20 -0.04 3.68 3.69 1xg7B1 PRO 166 HD3 -0.33 0.12 0.03 -0.04 3.65 3.42 1xg7B1 TYR 167 H -0.01 0.02 0.14 -0.55 8.29 7.89 1xg7B1 TYR 167 HA -0.07 0.13 0.46 -0.75 4.56 4.32 1xg7B1 TYR 167 HB2 -0.32 -0.13 -0.01 -0.04 3.06 2.57 1xg7B1 TYR 167 HB3 -0.18 0.07 -0.00 -0.04 2.98 2.83 1xg7B1 TYR 167 HD2 -0.76 -0.04 -0.08 -0.04 7.15 6.24 1xg7B1 TYR 167 HE2 -0.05 0.05 -0.01 -0.04 6.85 6.80 1xg7B1 PRO 168 HA 0.03 0.13 0.52 -0.51 4.44 4.61 1xg7B1 PRO 168 HB2 -0.04 -0.12 0.01 -0.04 2.28 2.09 1xg7B1 PRO 168 HB3 0.04 0.04 0.10 -0.04 2.02 2.16 1xg7B1 PRO 168 HG2 0.05 -0.03 -0.02 -0.04 2.03 1.98 1xg7B1 PRO 168 HG3 0.05 0.09 0.09 -0.04 2.03 2.21 1xg7B1 PRO 168 HD2 0.02 0.08 0.15 -0.04 3.68 3.89 1xg7B1 PRO 168 HD3 0.12 0.22 0.22 -0.04 3.65 4.16 1xg7B1 MET 169 H 0.03 0.19 0.17 -0.55 8.47 8.31 1xg7B1 MET 169 HA 0.03 0.05 0.43 -0.75 4.52 4.27 1xg7B1 MET 169 HB2 0.04 0.06 0.10 -0.04 2.15 2.31 1xg7B1 MET 169 HB3 0.03 -0.03 0.05 -0.04 2.03 2.05 1xg7B1 MET 169 HG2 0.03 0.02 -0.05 -0.04 2.63 2.60 1xg7B1 MET 169 HG3 0.03 0.01 -0.10 -0.04 2.56 2.46 1xg7B1 MET 169 HE3 0.05 0.00 -0.26 -0.04 2.10 1.85 1xg7B1 GLU 170 H 0.01 -0.01 -0.29 -0.55 8.60 7.76 1xg7B1 GLU 170 HA 0.04 0.10 0.26 -0.75 4.29 3.94 1xg7B1 GLU 170 HB2 0.12 -0.04 -0.04 -0.04 2.09 2.08 1xg7B1 GLU 170 HB3 0.25 0.02 -0.00 -0.04 1.99 2.21 1xg7B1 GLU 170 HG2 0.15 0.01 -0.01 -0.04 2.34 2.46 1xg7B1 GLU 170 HG3 0.10 0.04 -0.02 -0.04 2.34 2.42 1xg7B1 ILE 171 H -0.24 0.21 -0.36 -0.55 8.25 7.31 1xg7B1 ILE 171 HA -1.18 0.11 0.52 -0.75 4.18 2.87 1xg7B1 ILE 171 HB -0.41 0.01 0.08 -0.04 1.89 1.52 1xg7B1 ILE 171 HG12 -1.87 0.03 -0.02 -0.04 1.49 -0.41 1xg7B1 ILE 171 HG13 -0.53 -0.15 -0.04 -0.04 1.21 0.45 1xg7B1 ILE 171 HG23 -0.75 0.05 -0.06 -0.04 0.93 0.13 1xg7B1 ILE 171 HD13 -0.24 -0.01 -0.07 -0.04 0.88 0.51 1xg7B1 PRO 172 HA -0.03 0.08 0.49 -0.51 4.44 4.46 1xg7B1 PRO 172 HB2 0.04 0.06 0.01 -0.04 2.28 2.36 1xg7B1 PRO 172 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 1xg7B1 PRO 172 HG2 0.03 0.03 0.02 -0.04 2.03 2.07 1xg7B1 PRO 172 HG3 0.16 -0.06 -0.03 -0.04 2.03 2.06 1xg7B1 PRO 172 HD2 -0.52 0.04 0.23 -0.04 3.68 3.38 1xg7B1 PRO 172 HD3 -0.05 0.30 0.27 -0.04 3.65 4.12 1xg7B1 ILE 173 H 0.04 0.08 0.05 -0.55 8.25 7.87 1xg7B1 ILE 173 HA -0.06 0.13 0.35 -0.75 4.18 3.85 1xg7B1 ILE 173 HB 0.03 -0.01 0.02 -0.04 1.89 1.89 1xg7B1 ILE 173 HG12 -0.09 0.05 -0.04 -0.04 1.49 1.38 1xg7B1 ILE 173 HG13 -0.11 0.12 0.04 -0.04 1.21 1.21 1xg7B1 ILE 173 HG23 0.08 -0.02 -0.32 -0.04 0.93 0.63 1xg7B1 ILE 173 HD13 -0.59 -0.02 -0.07 -0.04 0.88 0.16 1xg7B1 PRO 174 HA 0.04 0.10 0.64 -0.51 4.44 4.71 1xg7B1 PRO 174 HB2 0.04 -0.06 0.07 -0.04 2.28 2.28 1xg7B1 PRO 174 HB3 0.06 0.11 0.12 -0.04 2.02 2.26 1xg7B1 PRO 174 HG2 0.06 0.01 0.07 -0.04 2.03 2.13 1xg7B1 PRO 174 HG3 0.01 0.09 -0.05 -0.04 2.03 2.04 1xg7B1 PRO 174 HD2 0.02 0.04 0.18 -0.04 3.68 3.88 1xg7B1 PRO 174 HD3 -0.07 0.17 0.16 -0.04 3.65 3.87 1xg7B1 GLU 175 H 0.06 0.21 0.11 -0.55 8.60 8.43 1xg7B1 GLU 175 HA 0.09 0.10 0.41 -0.75 4.29 4.13 1xg7B1 GLU 175 HB2 0.09 0.10 0.02 -0.04 2.09 2.25 1xg7B1 GLU 175 HB3 0.07 0.02 0.24 -0.04 1.99 2.28 1xg7B1 GLU 175 HG2 0.07 0.03 -0.09 -0.04 2.34 2.31 1xg7B1 GLU 175 HG3 0.11 -0.00 -0.05 -0.04 2.34 2.36 1xg7B1 ASP 176 H 0.12 0.24 0.17 -0.55 8.40 8.38 1xg7B1 ASP 176 HA 0.06 0.27 0.87 -0.75 4.63 5.08 1xg7B1 ASP 176 HB2 0.09 -0.06 0.23 -0.04 2.71 2.93 1xg7B1 ASP 176 HB3 0.08 0.08 0.02 -0.04 2.70 2.83 1xg7B1 LEU 177 H 0.07 0.19 0.18 -0.55 8.37 8.27 1xg7B1 LEU 177 HA 0.04 0.13 0.35 -0.75 4.35 4.12 1xg7B1 ARG 178 H 0.09 0.06 -0.05 -0.55 8.46 8.01 1xg7B1 ARG 178 HA -0.05 0.15 0.50 -0.75 4.34 4.19 1xg7B1 ILE 179 H 0.03 0.06 -0.24 -0.55 8.25 7.55 1xg7B1 ILE 179 HA -0.14 0.12 0.47 -0.75 4.18 3.88 1xg7B1 ILE 179 HB 0.06 -0.03 0.16 -0.04 1.89 2.05 1xg7B1 ILE 179 HG12 0.09 -0.13 0.04 -0.04 1.49 1.44 1xg7B1 ILE 179 HG13 0.14 0.22 0.10 -0.04 1.21 1.63 1xg7B1 ILE 179 HG23 0.00 0.02 -0.10 -0.04 0.93 0.80 1xg7B1 ILE 179 HD13 -0.31 0.02 -0.00 -0.04 0.88 0.54 1xg7B1 LYS 180 H 0.04 0.30 -0.22 -0.55 8.42 7.98 1xg7B1 LYS 180 HA 0.07 0.03 0.50 -0.75 4.32 4.18 1xg7B1 SER 181 H -0.00 0.39 -0.13 -0.55 8.46 8.17 1xg7B1 SER 181 HA -0.01 0.04 0.49 -0.75 4.49 4.26 1xg7B1 SER 181 HB2 -0.01 -0.02 0.16 -0.04 3.95 4.03 1xg7B1 SER 181 HB3 -0.05 0.13 0.26 -0.04 3.93 4.24 1xg7B1 VAL 182 H -0.04 0.41 -0.02 -0.55 8.24 8.05 1xg7B1 VAL 182 HA -0.00 0.13 0.37 -0.75 4.13 3.88 1xg7B1 VAL 182 HB 0.00 -0.00 0.17 -0.04 2.12 2.25 1xg7B1 VAL 182 HG13 0.12 0.01 -0.10 -0.04 0.97 0.96 1xg7B1 VAL 182 HG23 -0.14 0.04 0.08 -0.04 0.95 0.88 1xg7B1 THR 183 H 0.10 0.45 -0.22 -0.55 8.28 8.07 1xg7B1 THR 183 HA 0.09 0.01 0.29 -0.75 4.39 4.03 1xg7B1 THR 183 HB 0.10 0.06 0.11 -0.04 4.32 4.55 1xg7B1 THR 183 HG23 -0.21 -0.04 -0.05 -0.04 1.22 0.88 1xg7B1 SER 184 H -0.01 0.45 -0.28 -0.55 8.46 8.07 1xg7B1 SER 184 HA -0.08 0.28 0.54 -0.75 4.49 4.47 1xg7B1 SER 184 HB2 -0.03 -0.09 0.09 -0.04 3.95 3.88 1xg7B1 SER 184 HB3 -0.02 -0.09 0.16 -0.04 3.93 3.94 1xg7B1 LYS 185 H -0.03 0.38 -0.19 -0.55 8.42 8.03 1xg7B1 LYS 185 HA -0.04 0.02 0.62 -0.75 4.32 4.17 1xg7B1 LEU 186 H -0.13 0.32 -0.41 -0.55 8.37 7.61 1xg7B1 LEU 186 HA -0.10 0.15 0.85 -0.75 4.35 4.50 1xg7B1 LEU 186 HB2 -0.45 0.04 0.10 -0.04 1.64 1.28 1xg7B1 LEU 186 HB3 -0.21 -0.13 0.02 -0.04 1.64 1.28 1xg7B1 LEU 186 HG -0.01 0.21 -0.01 -0.04 1.64 1.78 1xg7B1 LEU 186 HD13 0.13 -0.06 -0.06 -0.04 0.93 0.89 1xg7B1 LEU 186 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 1xg7B1 THR 187 H -0.28 0.71 0.30 -0.55 8.28 8.46 1xg7B1 THR 187 HA -0.21 0.10 0.72 -0.75 4.39 4.25 1xg7B1 THR 187 HB -0.73 0.07 -0.17 -0.04 4.32 3.45 1xg7B1 THR 187 HG23 -0.81 0.04 -0.17 -0.04 1.22 0.24 1xg7B1 GLN 188 H -0.12 0.05 0.18 -0.55 8.47 8.03 1xg7B1 GLN 188 HA -0.07 0.25 0.88 -0.75 4.36 4.66 1xg7B1 GLU 189 H -0.10 -0.04 0.05 -0.55 8.60 7.96 1xg7B1 GLU 189 HA -0.01 0.04 0.38 -0.75 4.29 3.94 1xg7B1 LYS 190 H 0.03 0.07 0.15 -0.55 8.42 8.12 1xg7B1 LYS 190 HA 0.04 0.25 0.51 -0.75 4.32 4.37 1xg7B1 PRO 191 HA 0.32 0.08 0.27 -0.51 4.44 4.60 1xg7B1 PRO 191 HB2 0.22 -0.03 -0.02 -0.04 2.28 2.41 1xg7B1 PRO 191 HB3 0.41 0.08 -0.03 -0.04 2.02 2.44 1xg7B1 PRO 191 HG2 0.12 0.01 -0.00 -0.04 2.03 2.11 1xg7B1 PRO 191 HG3 0.15 0.15 0.05 -0.04 2.03 2.34 1xg7B1 PRO 191 HD2 0.09 0.04 0.19 -0.04 3.68 3.96 1xg7B1 PRO 191 HD3 0.06 0.36 0.23 -0.04 3.65 4.26 1xg7B1 THR 192 H 0.16 0.13 -0.26 -0.55 8.28 7.76 1xg7B1 THR 192 HA 0.19 0.05 0.36 -0.75 4.39 4.23 1xg7B1 THR 192 HB 0.11 0.06 0.08 -0.04 4.32 4.53 1xg7B1 THR 192 HG23 0.09 -0.01 -0.05 -0.04 1.22 1.21 1xg7B1 LYS 193 H 0.13 0.39 -0.25 -0.55 8.42 8.14 1xg7B1 LYS 193 HA 0.08 0.12 0.52 -0.75 4.32 4.29 1xg7B1 PHE 194 H 0.18 0.45 -0.06 -0.55 8.34 8.35 1xg7B1 PHE 194 HA -0.13 0.04 0.41 -0.75 4.62 4.18 1xg7B1 PHE 194 HB2 -0.17 -0.04 -0.08 -0.04 3.15 2.82 1xg7B1 PHE 194 HB3 -0.28 0.05 -0.02 -0.04 3.06 2.77 1xg7B1 PHE 194 HD2 -1.03 -0.02 -0.07 -0.04 7.28 6.12 1xg7B1 PHE 194 HE2 -0.94 0.03 -0.07 -0.04 7.38 6.36 1xg7B1 PHE 194 HZ -0.40 0.03 -0.07 -0.04 7.32 6.84 1xg7B1 TRP 195 H 0.23 0.69 -0.11 -0.55 7.97 8.23 1xg7B1 TRP 195 HA -0.21 0.02 0.31 -0.75 4.62 3.98 1xg7B1 TRP 195 HB2 0.06 0.12 0.04 -0.04 3.23 3.41 1xg7B1 TRP 195 HB3 0.02 -0.04 0.02 -0.04 3.23 3.19 1xg7B1 TRP 195 HD1 0.17 -0.01 -0.00 -0.04 7.22 7.34 1xg7B1 TRP 195 HE1 0.14 0.04 -0.01 -0.04 10.20 10.33 1xg7B1 TRP 195 HE3 -0.03 -0.05 -0.01 -0.04 7.59 7.46 1xg7B1 TRP 195 HZ2 0.13 0.07 -0.08 -0.04 7.44 7.51 1xg7B1 TRP 195 HZ3 0.03 0.01 -0.08 -0.04 7.13 7.05 1xg7B1 TRP 195 HH2 0.11 0.05 -0.07 -0.04 7.19 7.24 1xg7B1 MET 196 H 0.12 0.29 -0.42 -0.55 8.47 7.91 1xg7B1 MET 196 HA 0.07 0.07 0.60 -0.75 4.52 4.52 1xg7B1 MET 196 HB2 0.08 0.16 0.21 -0.04 2.15 2.56 1xg7B1 MET 196 HB3 0.05 0.14 0.15 -0.04 2.03 2.33 1xg7B1 MET 196 HG2 0.05 -0.03 0.00 -0.04 2.63 2.61 1xg7B1 MET 196 HG3 0.03 -0.06 -0.14 -0.04 2.56 2.35 1xg7B1 MET 196 HE3 0.03 -0.01 -0.16 -0.04 2.10 1.91 1xg7B1 LYS 197 H -0.09 0.44 -0.20 -0.55 8.42 8.02 1xg7B1 LYS 197 HA -0.05 0.04 0.54 -0.75 4.32 4.09 1xg7B1 ILE 198 H -0.37 0.58 0.05 -0.55 8.25 7.97 1xg7B1 ILE 198 HA -0.22 -0.01 0.35 -0.75 4.18 3.55 1xg7B1 ILE 198 HB -0.01 0.09 0.08 -0.04 1.89 2.01 1xg7B1 ILE 198 HG12 -1.53 0.26 -0.09 -0.04 1.49 0.08 1xg7B1 ILE 198 HG13 -1.50 -0.02 -0.09 -0.04 1.21 -0.44 1xg7B1 ILE 198 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.80 1xg7B1 ILE 198 HD13 -0.81 -0.03 -0.05 -0.04 0.88 -0.05 1xg7B1 GLY 199 H 0.03 0.36 -0.48 -0.55 8.43 7.80 1xg7B1 GLY 199 HA2 0.08 0.06 0.34 -0.51 4.01 3.97 1xg7B1 GLY 199 HA3 0.07 0.09 0.26 -0.51 4.01 3.91 1xg7B1 GLN 200 H 0.01 0.51 -0.07 -0.55 8.47 8.37 1xg7B1 GLN 200 HA 0.02 -0.00 0.43 -0.75 4.36 4.05 1xg7B1 GLU 201 H -0.02 0.50 -0.18 -0.55 8.60 8.35 1xg7B1 GLU 201 HA -0.00 0.04 0.40 -0.75 4.29 3.97 1xg7B1 GLU 201 HB2 -0.05 0.11 0.10 -0.04 2.09 2.21 1xg7B1 GLU 201 HB3 -0.02 -0.06 -0.03 -0.04 1.99 1.84 1xg7B1 GLU 201 HG2 -0.02 -0.03 0.01 -0.04 2.34 2.26 1xg7B1 GLU 201 HG3 -0.03 -0.02 0.02 -0.04 2.34 2.27 1xg7B1 SER 202 H 0.01 0.49 -0.09 -0.55 8.46 8.32 1xg7B1 SER 202 HA 0.02 0.12 0.73 -0.75 4.49 4.61 1xg7B1 SER 202 HB2 0.04 -0.09 -0.05 -0.04 3.95 3.81 1xg7B1 SER 202 HB3 0.03 -0.02 0.14 -0.04 3.93 4.04 1xg7B1 GLY 203 H 0.03 0.43 -0.34 -0.55 8.43 8.00 1xg7B1 GLY 203 HA2 0.03 0.02 0.28 -0.51 4.01 3.83 1xg7B1 GLY 203 HA3 0.03 0.06 0.57 -0.51 4.01 4.16 1xg7B1 VAL 204 H 0.06 0.23 -0.20 -0.55 8.24 7.78 1xg7B1 VAL 204 HA 0.09 0.14 0.76 -0.75 4.13 4.36 1xg7B1 VAL 204 HB 0.09 -0.04 -0.08 -0.04 2.12 2.05 1xg7B1 VAL 204 HG13 0.12 -0.00 -0.29 -0.04 0.97 0.75 1xg7B1 VAL 204 HG23 0.04 0.04 -0.35 -0.04 0.95 0.64 1xg7B1 PRO 205 HA 0.08 0.18 0.39 -0.51 4.44 4.58 1xg7B1 PRO 205 HB2 0.19 -0.22 -0.08 -0.04 2.28 2.13 1xg7B1 PRO 205 HB3 0.09 0.14 -0.39 -0.04 2.02 1.81 1xg7B1 PRO 205 HG2 0.29 0.11 0.03 -0.04 2.03 2.42 1xg7B1 PRO 205 HG3 0.12 0.02 -0.03 -0.04 2.03 2.10 1xg7B1 PRO 205 HD2 0.29 -0.02 0.19 -0.04 3.68 4.09 1xg7B1 PRO 205 HD3 0.13 0.38 0.15 -0.04 3.65 4.27 1xg7B1 PRO 206 HA 0.06 0.04 0.41 -0.51 4.44 4.44 1xg7B1 PRO 206 HB2 -0.04 0.18 -0.10 -0.04 2.28 2.28 1xg7B1 PRO 206 HB3 0.07 -0.11 -0.01 -0.04 2.02 1.93 1xg7B1 PRO 206 HG2 0.02 0.15 0.02 -0.04 2.03 2.18 1xg7B1 PRO 206 HG3 0.08 0.08 0.10 -0.04 2.03 2.25 1xg7B1 PRO 206 HD2 0.00 0.28 0.20 -0.04 3.68 4.11 1xg7B1 PRO 206 HD3 0.05 0.11 0.22 -0.04 3.65 3.98 1xg7B1 LEU 207 H -0.12 0.26 -0.35 -0.55 8.37 7.61 1xg7B1 LEU 207 HA -0.21 0.06 0.53 -0.75 4.35 3.98 1xg7B1 LEU 207 HB2 -0.52 -0.01 -0.03 -0.04 1.64 1.04 1xg7B1 LEU 207 HB3 -1.01 -0.01 -0.02 -0.04 1.64 0.55 1xg7B1 LEU 207 HG -0.35 0.16 -0.14 -0.04 1.64 1.27 1xg7B1 LEU 207 HD13 -0.66 -0.02 -0.04 -0.04 0.93 0.17 1xg7B1 LEU 207 HD23 -0.28 -0.02 -0.09 -0.04 0.89 0.47 1xg7B1 HIS 208 H 0.06 0.34 -0.26 -0.55 8.41 8.00 1xg7B1 HIS 208 HA 0.19 0.09 0.61 -0.75 4.63 4.76 1xg7B1 HIS 208 HB2 0.13 0.20 0.03 -0.04 3.26 3.58 1xg7B1 HIS 208 HB3 0.13 -0.02 -0.03 -0.04 3.20 3.24 1xg7B1 HIS 208 HD2 0.18 0.11 0.07 -0.04 6.97 7.28 1xg7B1 HIS 208 HE1 0.24 0.09 -0.03 -0.04 7.75 8.00 1xg7B1 ILE 209 H 0.09 0.38 -0.21 -0.55 8.25 7.96 1xg7B1 ILE 209 HA 0.05 0.07 0.43 -0.75 4.18 3.97 1xg7B1 ILE 209 HB -0.03 0.08 0.09 -0.04 1.89 2.00 1xg7B1 ILE 209 HG12 0.11 -0.04 -0.12 -0.04 1.49 1.40 1xg7B1 ILE 209 HG13 0.11 0.15 -0.29 -0.04 1.21 1.15 1xg7B1 ILE 209 HG23 -0.20 -0.02 -0.14 -0.04 0.93 0.52 1xg7B1 ILE 209 HD13 0.23 0.01 -0.13 -0.04 0.88 0.94 1xg7B1 ASP 210 H -0.05 0.55 -0.19 -0.55 8.40 8.17 1xg7B1 ASP 210 HA -0.03 -0.01 0.45 -0.75 4.63 4.28 1xg7B1 ASP 210 HB2 -0.04 0.05 0.18 -0.04 2.71 2.86 1xg7B1 ASP 210 HB3 -0.02 0.24 0.11 -0.04 2.70 2.99 1xg7B1 SER 211 H 0.10 0.29 -0.54 -0.55 8.46 7.76 1xg7B1 SER 211 HA 0.17 -0.04 0.30 -0.75 4.49 4.16 1xg7B1 SER 211 HB2 0.17 0.20 0.05 -0.04 3.95 4.33 1xg7B1 SER 211 HB3 0.16 -0.07 0.03 -0.04 3.93 4.01 1xg7B1 LEU 212 H 0.07 0.37 -0.38 -0.55 8.37 7.88 1xg7B1 LEU 212 HA 0.06 0.06 0.50 -0.75 4.35 4.21 1xg7B1 LEU 212 HB2 0.01 0.12 0.10 -0.04 1.64 1.84 1xg7B1 LEU 212 HB3 0.03 -0.04 0.00 -0.04 1.64 1.60 1xg7B1 LEU 212 HG 0.07 0.19 0.07 -0.04 1.64 1.93 1xg7B1 LEU 212 HD13 0.06 -0.01 -0.06 -0.04 0.93 0.87 1xg7B1 LEU 212 HD23 0.04 -0.02 -0.14 -0.04 0.89 0.73 1xg7B1 ILE 213 H -0.00 0.37 -0.13 -0.55 8.25 7.94 1xg7B1 ILE 213 HA -0.07 0.09 0.26 -0.75 4.18 3.71 1xg7B1 ILE 213 HB -0.24 0.06 0.13 -0.04 1.89 1.79 1xg7B1 ILE 213 HG12 -0.21 0.01 -0.04 -0.04 1.49 1.21 1xg7B1 ILE 213 HG13 -0.24 0.15 0.01 -0.04 1.21 1.09 1xg7B1 ILE 213 HG23 -0.36 -0.02 -0.09 -0.04 0.93 0.42 1xg7B1 ILE 213 HD13 -0.84 -0.02 -0.06 -0.04 0.88 -0.09 1xg7B1 TRP 214 H 0.27 0.39 -0.09 -0.55 7.97 7.98 1xg7B1 TRP 214 HA 0.00 -0.00 0.21 -0.75 4.62 4.07 1xg7B1 TRP 214 HB2 0.02 0.12 0.07 -0.04 3.23 3.41 1xg7B1 TRP 214 HB3 0.04 -0.06 -0.05 -0.04 3.23 3.11 1xg7B1 TRP 214 HD1 -0.05 0.34 0.08 -0.04 7.22 7.56 1xg7B1 TRP 214 HE1 -0.07 0.01 0.02 -0.04 10.20 10.13 1xg7B1 TRP 214 HE3 0.03 0.02 0.01 -0.04 7.59 7.61 1xg7B1 TRP 214 HZ2 -0.04 -0.08 0.01 -0.04 7.44 7.29 1xg7B1 TRP 214 HZ3 0.03 0.00 0.00 -0.04 7.13 7.12 1xg7B1 TRP 214 HH2 -0.01 -0.08 0.02 -0.04 7.19 7.08 1xg7B1 PRO 215 HA 0.15 0.02 0.49 -0.51 4.44 4.59 1xg7B1 PRO 215 HB2 0.08 0.12 -0.11 -0.04 2.28 2.32 1xg7B1 PRO 215 HB3 0.09 0.00 -0.05 -0.04 2.02 2.03 1xg7B1 PRO 215 HG2 0.10 0.16 0.04 -0.04 2.03 2.29 1xg7B1 PRO 215 HG3 0.13 -0.08 -0.03 -0.04 2.03 2.01 1xg7B1 PRO 215 HD2 0.15 0.13 -0.51 -0.04 3.68 3.41 1xg7B1 PRO 215 HD3 0.26 -0.01 0.01 -0.04 3.65 3.87 1xg7B1 LEU 216 H 0.05 0.30 -0.51 -0.55 8.37 7.67 1xg7B1 LEU 216 HA 0.03 0.05 0.35 -0.75 4.35 4.03 1xg7B1 LEU 216 HB2 -0.02 0.10 0.12 -0.04 1.64 1.80 1xg7B1 LEU 216 HB3 0.00 -0.02 -0.01 -0.04 1.64 1.56 1xg7B1 LEU 216 HG 0.03 0.28 0.08 -0.04 1.64 1.99 1xg7B1 LEU 216 HD13 0.02 -0.04 -0.09 -0.04 0.93 0.77 1xg7B1 LEU 216 HD23 0.03 -0.04 -0.13 -0.04 0.89 0.71 1xg7B1 LEU 217 H -0.08 0.59 0.11 -0.55 8.37 8.44 1xg7B1 LEU 217 HA -0.09 0.05 0.47 -0.75 4.35 4.03 1xg7B1 GLY 218 H 0.09 0.44 -0.45 -0.55 8.43 7.96 1xg7B1 GLY 218 HA2 0.09 0.06 0.18 -0.51 4.01 3.82 1xg7B1 GLY 218 HA3 0.15 -0.08 0.26 -0.51 4.01 3.83 1xg7B1 ASN 219 H 0.05 0.42 -0.41 -0.55 8.53 8.04 1xg7B1 ASN 219 HA 0.04 0.05 0.32 -0.75 4.76 4.42 1xg7B1 ALA 220 H 0.08 0.49 -0.19 -0.55 8.40 8.23 1xg7B1 ALA 220 HA 0.08 0.02 0.36 -0.75 4.34 4.06 1xg7B1 ALA 220 HB3 0.10 -0.02 0.00 -0.04 1.41 1.45 1xg7B1 ASP 221 H 0.08 0.12 0.17 -0.55 8.40 8.22 1xg7B1 ASP 221 HA 0.04 0.09 0.71 -0.75 4.63 4.72 1xg7B1 ASP 221 HB2 0.06 0.06 0.16 -0.04 2.71 2.94 1xg7B1 ASP 221 HB3 0.07 0.04 0.22 -0.04 2.70 2.98 1xg7B1 LEU 222 H 0.04 0.22 0.11 -0.55 8.37 8.19 1xg7B1 LEU 222 HA 0.03 0.19 0.70 -0.75 4.35 4.51 1xg7B1 LEU 222 HB2 0.02 0.02 0.01 -0.04 1.64 1.65 1xg7B1 LEU 222 HB3 0.02 -0.05 0.09 -0.04 1.64 1.66 1xg7B1 LEU 222 HG 0.04 0.16 -0.20 -0.04 1.64 1.60 1xg7B1 LEU 222 HD13 0.03 -0.00 -0.09 -0.04 0.93 0.82 1xg7B1 LEU 222 HD23 0.04 0.01 -0.29 -0.04 0.89 0.61 1xg7B1 THR 223 H 0.03 0.03 -0.28 -0.55 8.28 7.51 1xg7B1 THR 223 HA 0.02 0.09 0.32 -0.75 4.39 4.06 1xg7B1 THR 223 HB 0.02 0.02 0.03 -0.04 4.32 4.35 1xg7B1 THR 223 HG23 0.02 -0.02 0.02 -0.04 1.22 1.20 1xg7B1 PRO 224 HA 0.01 0.06 0.46 -0.51 4.44 4.45 1xg7B1 PRO 224 HB2 0.00 -0.01 -0.19 -0.04 2.28 2.04 1xg7B1 PRO 224 HB3 -0.00 0.02 0.04 -0.04 2.02 2.04 1xg7B1 PRO 224 HG2 0.04 0.20 -0.03 -0.04 2.03 2.20 1xg7B1 PRO 224 HG3 0.03 -0.01 -0.01 -0.04 2.03 2.00 1xg7B1 PRO 224 HD2 0.03 0.12 -0.33 -0.04 3.68 3.46 1xg7B1 PRO 224 HD3 0.04 -0.05 -0.11 -0.04 3.65 3.48 1xg7B1 LEU 225 H 0.00 0.40 -0.49 -0.55 8.37 7.74 1xg7B1 LEU 225 HA -0.02 0.03 0.33 -0.75 4.35 3.95 1xg7B1 LEU 225 HB2 0.00 0.10 -0.04 -0.04 1.64 1.66 1xg7B1 LEU 225 HB3 -0.01 -0.12 -0.02 -0.04 1.64 1.45 1xg7B1 LEU 225 HG 0.01 0.03 -0.09 -0.04 1.64 1.54 1xg7B1 LEU 225 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.78 1xg7B1 LEU 225 HD23 -0.02 -0.01 -0.25 -0.04 0.89 0.56 1xg7B1 ASP 226 H -0.02 0.09 0.14 -0.55 8.40 8.06 1xg7B1 ASP 226 HA -0.01 0.13 0.52 -0.75 4.63 4.51 1xg7B1 ASP 226 HB2 -0.02 0.13 0.16 -0.04 2.71 2.93 1xg7B1 ASP 226 HB3 -0.02 -0.08 0.14 -0.04 2.70 2.70 1xg7B1 ILE 227 H -0.00 0.19 0.18 -0.55 8.25 8.07 1xg7B1 ILE 227 HA 0.00 0.14 0.38 -0.75 4.18 3.96 1xg7B1 ILE 227 HB 0.00 0.08 0.15 -0.04 1.89 2.08 1xg7B1 ILE 227 HG12 0.00 -0.01 -0.19 -0.04 1.49 1.24 1xg7B1 ILE 227 HG13 0.00 0.01 0.03 -0.04 1.21 1.21 1xg7B1 ILE 227 HG23 -0.00 0.00 0.07 -0.04 0.93 0.96 1xg7B1 ILE 227 HD13 0.00 0.01 -0.00 -0.04 0.88 0.86 1xg7B1 GLU 228 H -0.00 0.09 -0.18 -0.55 8.60 7.95 1xg7B1 GLU 228 HA 0.00 0.10 0.34 -0.75 4.29 3.97 1xg7B1 GLU 228 HB2 -0.01 -0.02 0.04 -0.04 2.09 2.06 1xg7B1 GLU 228 HB3 -0.00 0.08 -0.03 -0.04 1.99 1.99 1xg7B1 GLU 228 HG2 -0.00 0.04 0.01 -0.04 2.34 2.35 1xg7B1 GLU 228 HG3 -0.00 -0.07 0.04 -0.04 2.34 2.26 1xg7B1 LEU 229 H -0.01 0.10 -0.22 -0.55 8.37 7.70 1xg7B1 LEU 229 HA -0.00 0.09 0.55 -0.75 4.35 4.22 1xg7B1 LEU 229 HB2 -0.02 -0.01 0.09 -0.04 1.64 1.66 1xg7B1 LEU 229 HB3 -0.01 0.08 0.07 -0.04 1.64 1.73 1xg7B1 LEU 229 HG -0.00 0.03 -0.27 -0.04 1.64 1.35 1xg7B1 LEU 229 HD13 -0.01 -0.00 0.05 -0.04 0.93 0.93 1xg7B1 LEU 229 HD23 -0.03 0.01 0.02 -0.04 0.89 0.85 1xg7B1 ARG 230 H 0.00 0.55 -0.19 -0.55 8.46 8.27 1xg7B1 ARG 230 HA 0.01 0.02 0.40 -0.75 4.34 4.02 1xg7B1 ARG 230 HB2 0.01 0.10 -0.04 -0.04 1.90 1.93 1xg7B1 ARG 230 HB3 0.01 0.05 0.04 -0.04 1.80 1.86 1xg7B1 ARG 230 HG2 0.01 -0.03 -0.24 -0.04 1.67 1.37 1xg7B1 ARG 230 HG3 0.02 -0.05 -0.02 -0.04 1.67 1.58 1xg7B1 ARG 230 HD2 0.01 -0.05 -0.11 -0.04 3.22 3.03 1xg7B1 ARG 230 HD3 0.01 0.06 -0.20 -0.04 3.22 3.05 1xg7B1 ASN 231 H 0.01 0.58 -0.17 -0.55 8.53 8.40 1xg7B1 ASN 231 HA 0.01 0.02 0.49 -0.75 4.76 4.52 1xg7B1 ASN 231 HB2 0.01 0.09 0.16 -0.04 2.88 3.09 1xg7B1 ASN 231 HB3 0.01 -0.04 0.02 -0.04 2.79 2.74 1xg7B1 ASN 231 HD21 0.01 -0.04 -0.04 -0.04 7.03 6.91 1xg7B1 ASN 231 HD22 0.00 -0.04 -0.05 -0.04 7.74 7.61 1xg7B1 LYS 232 H 0.01 0.50 -0.09 -0.55 8.42 8.29 1xg7B1 LYS 232 HA 0.02 -0.02 0.42 -0.75 4.32 3.98 1xg7B1 LYS 232 HB2 0.01 0.12 0.17 -0.04 1.87 2.13 1xg7B1 LYS 232 HB3 0.02 -0.04 0.00 -0.04 1.79 1.73 1xg7B1 LYS 232 HG2 0.01 -0.05 0.02 -0.04 1.46 1.40 1xg7B1 LYS 232 HG3 0.01 0.11 0.11 -0.04 1.46 1.65 1xg7B1 LYS 232 HD2 0.00 -0.05 -0.04 -0.04 1.69 1.56 1xg7B1 LYS 232 HD3 0.01 -0.01 -0.30 -0.04 1.68 1.34 1xg7B1 LYS 232 HE2 0.00 -0.01 -0.08 -0.04 2.99 2.86 1xg7B1 LYS 232 HE3 0.00 -0.04 -0.06 -0.04 2.99 2.84 1xg7B1 LEU 233 H 0.02 0.59 -0.18 -0.55 8.37 8.25 1xg7B1 LEU 233 HA 0.03 -0.03 0.41 -0.75 4.35 4.00 1xg7B1 LEU 233 HB2 0.02 0.14 0.11 -0.04 1.64 1.86 1xg7B1 LEU 233 HB3 0.03 -0.03 -0.01 -0.04 1.64 1.59 1xg7B1 LEU 233 HG 0.02 0.08 0.02 -0.04 1.64 1.72 1xg7B1 LEU 233 HD13 0.02 -0.02 -0.10 -0.04 0.93 0.79 1xg7B1 LEU 233 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.85 1xg7B1 MET 234 H 0.02 0.48 -0.26 -0.55 8.47 8.16 1xg7B1 MET 234 HA 0.02 0.05 0.54 -0.75 4.52 4.38 1xg7B1 MET 234 HB2 0.02 0.12 0.14 -0.04 2.15 2.38 1xg7B1 MET 234 HB3 0.02 -0.06 0.01 -0.04 2.03 1.95 1xg7B1 MET 234 HG2 0.02 0.20 -0.01 -0.04 2.63 2.79 1xg7B1 MET 234 HG3 0.02 -0.05 -0.02 -0.04 2.56 2.46 1xg7B1 MET 234 HE3 0.02 -0.01 0.01 -0.04 2.10 2.08 1xg7B1 LYS 235 H 0.02 0.47 -0.08 -0.55 8.42 8.27 1xg7B1 LYS 235 HA 0.02 0.03 0.59 -0.75 4.32 4.21 1xg7B1 LEU 236 H 0.03 0.48 -0.14 -0.55 8.37 8.19 1xg7B1 LEU 236 HA 0.06 -0.03 0.41 -0.75 4.35 4.03 1xg7B1 LEU 236 HB2 0.05 0.00 0.05 -0.04 1.64 1.70 1xg7B1 LEU 236 HB3 0.04 0.20 0.11 -0.04 1.64 1.95 1xg7B1 LEU 236 HG 0.06 0.02 -0.21 -0.04 1.64 1.47 1xg7B1 LEU 236 HD13 0.13 -0.03 0.02 -0.04 0.93 1.00 1xg7B1 LEU 236 HD23 0.05 0.00 -0.10 -0.04 0.89 0.80 1xg7B1 THR 237 H 0.03 0.43 -0.31 -0.55 8.28 7.88 1xg7B1 THR 237 HA 0.02 0.00 0.32 -0.75 4.39 3.98 1xg7B1 THR 237 HB 0.02 0.18 0.13 -0.04 4.32 4.61 1xg7B1 THR 237 HG23 0.01 -0.01 -0.10 -0.04 1.22 1.08 1xg7B1 GLU 238 H 0.02 0.35 -0.27 -0.55 8.60 8.16 1xg7B1 GLU 238 HA 0.02 0.04 0.51 -0.75 4.29 4.11 1xg7B1 LEU 239 H 0.03 0.43 0.01 -0.55 8.37 8.29 1xg7B1 LEU 239 HA 0.03 0.01 0.44 -0.75 4.35 4.07 1xg7B1 LEU 239 HB2 0.06 0.11 0.15 -0.04 1.64 1.92 1xg7B1 LEU 239 HB3 0.07 -0.02 -0.13 -0.04 1.64 1.52 1xg7B1 LEU 239 HG 0.04 0.05 -0.00 -0.04 1.64 1.68 1xg7B1 LEU 239 HD13 0.06 -0.04 -0.16 -0.04 0.93 0.75 1xg7B1 LEU 239 HD23 0.03 -0.01 0.00 -0.04 0.89 0.87 1xg7B1 LEU 240 H 0.06 0.61 -0.16 -0.55 8.37 8.33 1xg7B1 LEU 240 HA 0.08 0.03 0.46 -0.75 4.35 4.16 1xg7B1 LEU 240 HB2 0.04 0.06 -0.00 -0.04 1.64 1.69 1xg7B1 LEU 240 HB3 0.05 -0.08 0.05 -0.04 1.64 1.62 1xg7B1 LEU 240 HG 0.11 0.25 0.05 -0.04 1.64 2.01 1xg7B1 LEU 240 HD13 0.05 -0.04 -0.08 -0.04 0.93 0.82 1xg7B1 LEU 240 HD23 0.29 -0.03 -0.07 -0.04 0.89 1.03 1xg7B1 GLY 241 H 0.02 0.24 -0.83 -0.55 8.43 7.32 1xg7B1 GLY 241 HA2 0.01 0.06 0.21 -0.51 4.01 3.78 1xg7B1 GLY 241 HA3 0.01 0.04 0.38 -0.51 4.01 3.93