============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 1 0.900 19.478 28.793 25.748 -99.200 -91.000 HIS 2 0.900 16.337 38.155 22.752 -99.200 -91.000 PHE 30 1.000 11.589 18.419 -6.152 -99.200 -91.000 TYR 31 0.840 16.377 18.940 -12.868 -99.200 -91.000 TYR 35 0.840 18.121 11.006 -15.004 -99.200 -91.000 PHE 37 1.000 7.891 9.741 -10.759 -99.200 -91.000 HIS 39 0.900 15.411 8.171 -16.391 -99.200 -91.000 PHE 45 1.000 11.433 8.762 -6.777 -99.200 -91.000 TYR 57 0.840 25.743 7.624 8.779 -99.200 -91.000 TRP 66 1.040 24.766 10.214 -1.044 -99.200 -91.000 TRP6 66 1.020 25.230 7.990 -1.698 -99.200 -91.000 TRP 67 1.040 20.991 12.954 -1.719 -99.200 -91.000 TRP6 67 1.020 19.200 11.473 -1.362 -99.200 -91.000 TRP 68 1.040 22.520 15.518 -9.735 -99.200 -91.000 TRP6 68 1.020 20.866 14.923 -11.309 -99.200 -91.000 PHE 70 1.000 19.000 7.281 -4.611 -99.200 -91.000 TYR 73 0.840 24.204 1.111 -8.384 -99.200 -91.000 PHE 74 1.000 19.802 2.051 -6.223 -99.200 -91.000 TRP 83 1.040 21.406 -5.957 3.695 -99.200 -91.000 TRP6 83 1.020 21.144 -8.176 4.528 -99.200 -91.000 TYR 86 0.840 21.422 1.820 -0.983 -99.200 -91.000 PHE 89 1.000 24.879 3.632 -4.844 -99.200 -91.000 PHE 113 1.000 8.205 1.377 8.007 -99.200 -91.000 TYR 125 0.840 3.918 5.320 6.927 -99.200 -91.000 TYR 126 0.840 3.358 14.064 -0.043 -99.200 -91.000 TRP 133 1.040 9.682 12.399 13.476 -99.200 -91.000 TRP6 133 1.020 8.488 13.696 15.049 -99.200 -91.000 PHE 151 1.000 18.872 14.272 3.999 -99.200 -91.000 PHE 156 1.000 7.269 9.468 2.521 -99.200 -91.000 TYR 158 0.840 13.129 17.966 -1.171 -99.200 -91.000 PHE 164 1.000 2.484 8.833 -3.325 -99.200 -91.000 PHE 167 1.000 4.012 21.928 -0.526 -99.200 -91.000 TYR 170 0.840 8.952 18.468 4.166 -99.200 -91.000 PHE 197 1.000 17.395 30.393 17.088 -99.200 -91.000 TRP 198 1.040 17.364 26.944 13.433 -99.200 -91.000 TRP6 198 1.020 16.992 28.963 12.259 -99.200 -91.000 HIS 211 0.900 7.889 22.883 3.831 -99.200 -91.000 TRP 217 1.040 21.070 22.707 4.471 -99.200 -91.000 TRP6 217 1.020 23.394 22.296 4.583 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1xg7A1 HIS -2 HA 0.02 -0.10 0.22 -0.75 4.63 4.02 1xg7A1 HIS -2 HB2 0.02 0.00 0.12 -0.04 3.26 3.36 1xg7A1 HIS -2 HB3 0.03 -0.00 0.03 -0.04 3.20 3.21 1xg7A1 HIS -2 HD2 0.01 0.01 0.01 -0.04 6.97 6.96 1xg7A1 HIS -2 HE1 -0.01 0.05 -0.16 -0.04 7.75 7.59 1xg7A1 HIS -1 H 0.19 0.12 0.15 -0.55 8.41 8.32 1xg7A1 HIS -1 HA 0.04 0.03 0.66 -0.75 4.63 4.60 1xg7A1 HIS -1 HB2 0.02 -0.01 0.15 -0.04 3.26 3.39 1xg7A1 HIS -1 HB3 0.02 0.09 0.11 -0.04 3.20 3.38 1xg7A1 HIS -1 HD2 0.01 0.01 0.03 -0.04 6.97 6.97 1xg7A1 HIS -1 HE1 0.01 -0.08 0.01 -0.04 7.75 7.64 1xg7A1 GLY 0 H -0.36 0.05 0.12 -0.55 8.43 7.69 1xg7A1 GLY 0 HA2 0.00 0.17 0.58 -0.51 4.01 4.25 1xg7A1 GLY 0 HA3 -0.12 -0.03 0.31 -0.51 4.01 3.66 1xg7A1 SER 1 H -0.10 0.18 -0.02 -0.55 8.46 7.98 1xg7A1 SER 1 HA 0.07 0.18 0.84 -0.75 4.49 4.82 1xg7A1 SER 1 HB2 0.13 0.25 -0.19 -0.04 3.95 4.10 1xg7A1 SER 1 HB3 -0.05 -0.01 0.10 -0.04 3.93 3.93 1xg7A1 ARG 2 H 0.02 0.26 0.09 -0.55 8.46 8.28 1xg7A1 ARG 2 HA -0.01 0.11 0.50 -0.75 4.34 4.18 1xg7A1 ARG 2 HB2 0.03 0.00 0.14 -0.04 1.90 2.02 1xg7A1 ARG 2 HB3 0.01 0.00 -0.01 -0.04 1.80 1.76 1xg7A1 ARG 2 HG2 0.00 0.05 0.02 -0.04 1.67 1.71 1xg7A1 ARG 2 HG3 -0.01 0.04 0.05 -0.04 1.67 1.71 1xg7A1 GLU 3 H 0.03 0.10 -0.13 -0.55 8.60 8.06 1xg7A1 GLU 3 HA 0.02 0.13 0.51 -0.75 4.29 4.20 1xg7A1 GLU 3 HB2 0.04 0.01 0.07 -0.04 2.09 2.17 1xg7A1 GLU 3 HB3 0.04 0.08 -0.05 -0.04 1.99 2.02 1xg7A1 GLU 3 HG2 0.02 0.03 0.00 -0.04 2.34 2.36 1xg7A1 GLU 3 HG3 0.03 -0.08 -0.01 -0.04 2.34 2.23 1xg7A1 LEU 4 H 0.04 0.07 -0.17 -0.55 8.37 7.76 1xg7A1 LEU 4 HA 0.09 0.10 0.55 -0.75 4.35 4.33 1xg7A1 LEU 4 HB2 0.01 0.00 0.09 -0.04 1.64 1.71 1xg7A1 LEU 4 HB3 0.12 0.02 -0.05 -0.04 1.64 1.68 1xg7A1 LEU 4 HG 0.22 0.00 -0.04 -0.04 1.64 1.78 1xg7A1 LEU 4 HD13 0.09 0.02 -0.11 -0.04 0.93 0.89 1xg7A1 LEU 4 HD23 0.10 0.03 -0.05 -0.04 0.89 0.93 1xg7A1 VAL 5 H -0.00 0.50 -0.15 -0.55 8.24 8.04 1xg7A1 VAL 5 HA 0.02 0.05 0.41 -0.75 4.13 3.86 1xg7A1 VAL 5 HB -0.01 0.04 0.15 -0.04 2.12 2.26 1xg7A1 VAL 5 HG13 -0.01 0.00 -0.25 -0.04 0.97 0.68 1xg7A1 VAL 5 HG23 -0.06 0.04 0.06 -0.04 0.95 0.94 1xg7A1 GLU 6 H 0.02 0.40 -0.26 -0.55 8.60 8.21 1xg7A1 GLU 6 HA 0.01 0.05 0.32 -0.75 4.29 3.92 1xg7A1 GLU 6 HB2 0.01 0.00 0.16 -0.04 2.09 2.22 1xg7A1 GLU 6 HB3 0.02 0.00 0.15 -0.04 1.99 2.12 1xg7A1 ILE 7 H 0.04 0.49 -0.13 -0.55 8.25 8.09 1xg7A1 ILE 7 HA 0.02 0.04 0.39 -0.75 4.18 3.88 1xg7A1 ILE 7 HB 0.03 0.02 0.07 -0.04 1.89 1.97 1xg7A1 ILE 7 HG12 0.03 0.02 -0.02 -0.04 1.49 1.48 1xg7A1 ILE 7 HG13 0.03 -0.04 -0.07 -0.04 1.21 1.09 1xg7A1 ILE 7 HG23 0.06 0.02 -0.00 -0.04 0.93 0.97 1xg7A1 ILE 7 HD13 0.02 -0.03 0.07 -0.04 0.88 0.90 1xg7A1 ILE 8 H 0.05 0.54 -0.17 -0.55 8.25 8.13 1xg7A1 ILE 8 HA 0.05 -0.00 0.43 -0.75 4.18 3.90 1xg7A1 ILE 8 HB 0.07 0.16 0.12 -0.04 1.89 2.21 1xg7A1 ILE 8 HG12 0.08 -0.05 -0.02 -0.04 1.49 1.46 1xg7A1 ILE 8 HG13 0.11 -0.01 0.03 -0.04 1.21 1.29 1xg7A1 ILE 8 HG23 0.07 -0.02 -0.16 -0.04 0.93 0.78 1xg7A1 ILE 8 HD13 0.24 -0.02 -0.11 -0.04 0.88 0.96 1xg7A1 LYS 9 H 0.03 0.64 -0.11 -0.55 8.42 8.42 1xg7A1 LYS 9 HA 0.02 0.06 0.54 -0.75 4.32 4.18 1xg7A1 LYS 9 HB2 0.02 0.07 0.20 -0.04 1.87 2.12 1xg7A1 LYS 9 HB3 0.01 0.02 0.14 -0.04 1.79 1.93 1xg7A1 LYS 9 HG2 0.01 -0.08 -0.08 -0.04 1.46 1.26 1xg7A1 LYS 9 HG3 0.01 0.19 0.14 -0.04 1.46 1.76 1xg7A1 LYS 9 HD2 0.01 0.06 0.03 -0.04 1.69 1.75 1xg7A1 LYS 9 HD3 0.01 -0.06 -0.01 -0.04 1.68 1.58 1xg7A1 LYS 9 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 1xg7A1 LYS 9 HE3 0.00 -0.04 -0.00 -0.04 2.99 2.91 1xg7A1 GLY 10 H 0.02 0.51 -0.15 -0.55 8.43 8.26 1xg7A1 GLY 10 HA2 0.00 -0.02 0.44 -0.51 4.01 3.93 1xg7A1 GLY 10 HA3 0.01 -0.00 0.30 -0.51 4.01 3.81 1xg7A1 ILE 11 H 0.01 0.47 -0.20 -0.55 8.25 7.99 1xg7A1 ILE 11 HA -0.00 -0.02 0.59 -0.75 4.18 3.99 1xg7A1 ILE 11 HB 0.02 0.10 0.15 -0.04 1.89 2.11 1xg7A1 ILE 11 HG12 0.01 -0.08 -0.03 -0.04 1.49 1.34 1xg7A1 ILE 11 HG13 0.01 0.16 0.02 -0.04 1.21 1.36 1xg7A1 ILE 11 HG23 -0.00 -0.00 -0.18 -0.04 0.93 0.71 1xg7A1 ILE 11 HD13 0.02 -0.02 -0.18 -0.04 0.88 0.66 1xg7A1 GLY 12 H 0.01 0.65 0.02 -0.55 8.43 8.56 1xg7A1 GLY 12 HA2 -0.00 0.17 0.31 -0.51 4.01 3.98 1xg7A1 GLY 12 HA3 -0.02 0.06 0.25 -0.51 4.01 3.79 1xg7A1 ILE 13 H -0.03 0.26 0.16 -0.55 8.25 8.09 1xg7A1 ILE 13 HA -0.13 0.05 0.49 -0.75 4.18 3.83 1xg7A1 ILE 13 HB -0.03 0.03 0.14 -0.04 1.89 1.99 1xg7A1 ILE 13 HG12 -0.03 -0.06 0.12 -0.04 1.49 1.48 1xg7A1 ILE 13 HG13 0.00 0.06 0.14 -0.04 1.21 1.38 1xg7A1 ILE 13 HG23 -0.22 -0.00 -0.03 -0.04 0.93 0.64 1xg7A1 ILE 13 HD13 0.05 0.03 0.11 -0.04 0.88 1.04 1xg7A1 GLU 14 H -0.07 0.13 -0.12 -0.55 8.60 7.99 1xg7A1 GLU 14 HA -0.22 0.06 0.36 -0.75 4.29 3.74 1xg7A1 GLU 14 HB2 -0.12 0.01 0.08 -0.04 2.09 2.03 1xg7A1 GLU 14 HB3 -0.08 -0.00 0.10 -0.04 1.99 1.96 1xg7A1 GLU 14 HG2 -0.06 0.10 -0.05 -0.04 2.34 2.28 1xg7A1 GLU 14 HG3 -0.06 -0.01 0.01 -0.04 2.34 2.24 1xg7A1 GLY 15 H -0.06 0.40 -0.23 -0.55 8.43 7.98 1xg7A1 GLY 15 HA2 -0.06 -0.03 0.47 -0.51 4.01 3.87 1xg7A1 GLY 15 HA3 -0.04 0.17 0.20 -0.51 4.01 3.83 1xg7A1 ALA 16 H -0.05 0.47 -0.22 -0.55 8.40 8.05 1xg7A1 ALA 16 HA 0.03 0.03 0.44 -0.75 4.34 4.08 1xg7A1 ALA 16 HB3 0.06 0.03 0.06 -0.04 1.41 1.51 1xg7A1 LYS 17 H -0.17 0.67 -0.13 -0.55 8.42 8.24 1xg7A1 LYS 17 HA -0.12 -0.01 0.42 -0.75 4.32 3.85 1xg7A1 LYS 17 HB2 -0.64 0.00 0.06 -0.04 1.87 1.25 1xg7A1 LYS 17 HB3 -0.39 0.15 0.12 -0.04 1.79 1.63 1xg7A1 LYS 17 HG2 -0.38 -0.00 -0.21 -0.04 1.46 0.82 1xg7A1 LYS 17 HG3 -0.61 -0.03 -0.02 -0.04 1.46 0.76 1xg7A1 LYS 17 HD2 -1.82 -0.03 -0.06 -0.04 1.69 -0.26 1xg7A1 LYS 17 HD3 -0.56 0.02 -0.04 -0.04 1.68 1.06 1xg7A1 LYS 17 HE2 -0.39 -0.01 -0.06 -0.04 2.99 2.48 1xg7A1 LYS 17 HE3 -0.32 -0.00 -0.04 -0.04 2.99 2.58 1xg7A1 GLU 18 H -0.14 0.43 -0.23 -0.55 8.60 8.12 1xg7A1 GLU 18 HA -0.15 0.04 0.46 -0.75 4.29 3.89 1xg7A1 GLU 18 HB2 -0.08 0.14 0.18 -0.04 2.09 2.28 1xg7A1 GLU 18 HB3 -0.07 -0.05 -0.04 -0.04 1.99 1.79 1xg7A1 GLU 18 HG2 -0.11 -0.02 0.03 -0.04 2.34 2.20 1xg7A1 GLU 18 HG3 -0.11 0.16 0.06 -0.04 2.34 2.41 1xg7A1 VAL 19 H -0.05 0.53 -0.15 -0.55 8.24 8.01 1xg7A1 VAL 19 HA -0.03 0.00 0.44 -0.75 4.13 3.78 1xg7A1 VAL 19 HB 0.02 0.10 0.10 -0.04 2.12 2.30 1xg7A1 VAL 19 HG13 0.05 -0.00 -0.06 -0.04 0.97 0.91 1xg7A1 VAL 19 HG23 -0.00 0.05 0.02 -0.04 0.95 0.97 1xg7A1 GLU 20 H -0.06 0.72 -0.10 -0.55 8.60 8.61 1xg7A1 GLU 20 HA -0.06 -0.09 0.44 -0.75 4.29 3.82 1xg7A1 GLU 20 HB2 -0.16 0.13 0.14 -0.04 2.09 2.16 1xg7A1 GLU 20 HB3 -0.39 -0.06 0.00 -0.04 1.99 1.51 1xg7A1 GLU 20 HG2 0.34 -0.10 0.04 -0.04 2.34 2.58 1xg7A1 GLU 20 HG3 0.14 0.12 0.07 -0.04 2.34 2.63 1xg7A1 GLU 21 H -0.31 0.44 -0.30 -0.55 8.60 7.88 1xg7A1 GLU 21 HA -1.09 0.09 0.61 -0.75 4.29 3.15 1xg7A1 GLU 21 HB2 -0.30 0.10 0.06 -0.04 2.09 1.91 1xg7A1 GLU 21 HB3 -0.33 -0.03 0.03 -0.04 1.99 1.62 1xg7A1 GLU 21 HG2 -1.32 -0.02 -0.10 -0.04 2.34 0.86 1xg7A1 GLU 21 HG3 -0.55 0.02 -0.03 -0.04 2.34 1.74 1xg7A1 LYS 22 H -0.15 0.36 -0.05 -0.55 8.42 8.03 1xg7A1 LYS 22 HA -0.07 0.21 1.03 -0.75 4.32 4.74 1xg7A1 LYS 22 HB2 -0.07 0.07 -0.03 -0.04 1.87 1.81 1xg7A1 LYS 22 HB3 -0.05 -0.06 0.04 -0.04 1.79 1.68 1xg7A1 LYS 22 HG2 -0.07 0.03 -0.14 -0.04 1.46 1.24 1xg7A1 LYS 22 HG3 -0.11 -0.00 -0.11 -0.04 1.46 1.20 1xg7A1 LYS 22 HD2 -0.06 -0.04 -0.11 -0.04 1.69 1.44 1xg7A1 LYS 22 HD3 -0.05 0.02 -0.04 -0.04 1.68 1.58 1xg7A1 LYS 22 HE2 -0.05 -0.00 -0.03 -0.04 2.99 2.86 1xg7A1 LYS 22 HE3 -0.08 -0.02 -0.03 -0.04 2.99 2.81 1xg7A1 VAL 23 H -0.05 0.33 0.08 -0.55 8.24 8.05 1xg7A1 VAL 23 HA 0.01 0.19 0.93 -0.75 4.13 4.51 1xg7A1 VAL 23 HB 0.01 0.13 0.18 -0.04 2.12 2.40 1xg7A1 VAL 23 HG13 0.05 -0.05 -0.12 -0.04 0.97 0.81 1xg7A1 VAL 23 HG23 -0.01 0.03 -0.13 -0.04 0.95 0.81 1xg7A1 ASP 24 H 0.00 0.43 0.16 -0.55 8.40 8.44 1xg7A1 ASP 24 HA 0.10 -0.04 0.44 -0.75 4.63 4.38 1xg7A1 ASP 24 HB2 0.09 0.08 0.13 -0.04 2.71 2.98 1xg7A1 ASP 24 HB3 0.02 0.36 0.31 -0.04 2.70 3.35 1xg7A1 ARG 25 H 0.13 0.12 0.23 -0.55 8.46 8.40 1xg7A1 ARG 25 HA 0.25 0.19 0.34 -0.75 4.34 4.36 1xg7A1 ARG 25 HB2 0.20 -0.09 0.14 -0.04 1.90 2.11 1xg7A1 ARG 25 HB3 0.38 0.01 0.07 -0.04 1.80 2.22 1xg7A1 ARG 25 HG2 0.23 0.05 0.01 -0.04 1.67 1.93 1xg7A1 ARG 25 HG3 0.16 0.23 0.09 -0.04 1.67 2.11 1xg7A1 ARG 25 HD2 0.16 -0.05 0.05 -0.04 3.22 3.34 1xg7A1 ARG 25 HD3 0.22 -0.06 0.02 -0.04 3.22 3.36 1xg7A1 GLN 26 H 0.07 0.06 -0.14 -0.55 8.47 7.92 1xg7A1 GLN 26 HA -0.12 0.09 0.48 -0.75 4.36 4.07 1xg7A1 GLN 26 HB2 -0.08 0.00 0.03 -0.04 2.15 2.06 1xg7A1 GLN 26 HB3 -0.52 0.08 -0.05 -0.04 2.02 1.49 1xg7A1 GLN 26 HG2 -0.72 0.07 -0.05 -0.04 2.40 1.66 1xg7A1 GLN 26 HG3 -0.04 -0.00 -0.04 -0.04 2.39 2.27 1xg7A1 GLN 26 HE21 -0.01 -0.01 -0.09 -0.04 6.97 6.82 1xg7A1 GLN 26 HE22 0.18 0.01 -0.42 -0.04 7.69 7.42 1xg7A1 PHE 27 H 0.18 0.15 -0.28 -0.55 8.34 7.83 1xg7A1 PHE 27 HA -0.07 0.03 0.46 -0.75 4.62 4.29 1xg7A1 PHE 27 HB2 -0.48 -0.07 0.15 -0.04 3.15 2.71 1xg7A1 PHE 27 HB3 -0.11 0.24 0.14 -0.04 3.06 3.28 1xg7A1 PHE 27 HD2 -0.62 -0.02 -0.10 -0.04 7.28 6.49 1xg7A1 PHE 27 HE2 -0.12 0.02 -0.00 -0.04 7.38 7.24 1xg7A1 PHE 27 HZ -0.09 0.01 -0.07 -0.04 7.32 7.13 1xg7A1 TYR 28 H 0.26 0.22 -0.34 -0.55 8.29 7.88 1xg7A1 TYR 28 HA 0.07 0.09 0.30 -0.75 4.56 4.26 1xg7A1 TYR 28 HB2 0.20 0.09 -0.00 -0.04 3.06 3.31 1xg7A1 TYR 28 HB3 0.31 0.02 0.01 -0.04 2.98 3.28 1xg7A1 TYR 28 HD2 0.38 0.01 -0.05 -0.04 7.15 7.44 1xg7A1 TYR 28 HE2 0.18 0.00 -0.03 -0.04 6.85 6.96 1xg7A1 ALA 29 H -0.43 0.42 -0.15 -0.55 8.40 7.70 1xg7A1 ALA 29 HA -1.95 0.03 0.51 -0.75 4.34 2.17 1xg7A1 ALA 29 HB3 -0.98 0.05 -0.04 -0.04 1.41 0.39 1xg7A1 LEU 30 H -0.21 0.45 -0.30 -0.55 8.37 7.76 1xg7A1 LEU 30 HA 0.21 0.01 0.45 -0.75 4.35 4.27 1xg7A1 LEU 30 HB2 -0.20 0.14 0.15 -0.04 1.64 1.69 1xg7A1 LEU 30 HB3 0.04 0.00 -0.09 -0.04 1.64 1.55 1xg7A1 LEU 30 HG 0.16 -0.02 -0.02 -0.04 1.64 1.71 1xg7A1 LEU 30 HD13 0.17 0.03 -0.08 -0.04 0.93 1.00 1xg7A1 LEU 30 HD23 -0.11 -0.02 -0.09 -0.04 0.89 0.64 1xg7A1 GLN 31 H -0.28 0.53 -0.08 -0.55 8.47 8.09 1xg7A1 GLN 31 HA -0.20 0.01 0.39 -0.75 4.36 3.80 1xg7A1 GLN 31 HB2 -0.19 0.01 0.08 -0.04 2.15 2.01 1xg7A1 GLN 31 HB3 -0.19 0.12 0.16 -0.04 2.02 2.07 1xg7A1 GLN 31 HG2 0.10 -0.02 -0.03 -0.04 2.40 2.41 1xg7A1 GLN 31 HG3 -0.06 0.00 -0.23 -0.04 2.39 2.06 1xg7A1 GLN 31 HE21 -0.01 0.02 0.02 -0.04 6.97 6.96 1xg7A1 GLN 31 HE22 0.00 -0.03 0.12 -0.04 7.69 7.74 1xg7A1 TYR 32 H -0.08 0.37 -0.41 -0.55 8.29 7.63 1xg7A1 TYR 32 HA 0.01 0.03 0.39 -0.75 4.56 4.24 1xg7A1 TYR 32 HB2 0.09 -0.01 0.07 -0.04 3.06 3.17 1xg7A1 TYR 32 HB3 -0.00 0.11 0.14 -0.04 2.98 3.19 1xg7A1 TYR 32 HD2 0.08 0.01 -0.16 -0.04 7.15 7.03 1xg7A1 TYR 32 HE2 -0.12 0.02 -0.08 -0.04 6.85 6.62 1xg7A1 LEU 33 H 0.11 0.46 -0.04 -0.55 8.37 8.35 1xg7A1 LEU 33 HA 0.06 0.06 0.26 -0.75 4.35 3.98 1xg7A1 LEU 33 HB2 0.09 -0.02 0.10 -0.04 1.64 1.77 1xg7A1 LEU 33 HB3 0.30 0.03 0.10 -0.04 1.64 2.03 1xg7A1 LEU 33 HG 0.28 -0.04 -0.29 -0.04 1.64 1.55 1xg7A1 LEU 33 HD13 -0.01 0.04 -0.17 -0.04 0.93 0.75 1xg7A1 LEU 33 HD23 -0.16 -0.02 -0.14 -0.04 0.89 0.52 1xg7A1 PHE 34 H -0.18 0.58 -0.26 -0.55 8.34 7.92 1xg7A1 PHE 34 HA -1.05 -0.05 0.31 -0.75 4.62 3.07 1xg7A1 PHE 34 HB2 -1.48 -0.04 0.03 -0.04 3.15 1.62 1xg7A1 PHE 34 HB3 -0.53 0.16 0.06 -0.04 3.06 2.71 1xg7A1 PHE 34 HD2 -0.70 -0.01 -0.08 -0.04 7.28 6.44 1xg7A1 PHE 34 HE2 -0.20 -0.07 0.01 -0.04 7.38 7.08 1xg7A1 PHE 34 HZ -0.16 0.01 0.04 -0.04 7.32 7.17 1xg7A1 ARG 35 H -0.24 0.40 -0.31 -0.55 8.46 7.76 1xg7A1 ARG 35 HA -0.56 0.02 0.54 -0.75 4.34 3.59 1xg7A1 ARG 35 HB2 -0.45 0.18 0.13 -0.04 1.90 1.73 1xg7A1 ARG 35 HB3 -0.55 -0.10 0.15 -0.04 1.80 1.26 1xg7A1 ARG 35 HG2 -0.15 -0.07 0.05 -0.04 1.67 1.45 1xg7A1 ARG 35 HG3 -0.07 0.12 0.07 -0.04 1.67 1.76 1xg7A1 ARG 35 HD2 -0.02 -0.06 0.01 -0.04 3.22 3.10 1xg7A1 ARG 35 HD3 -0.07 0.04 0.00 -0.04 3.22 3.15 1xg7A1 HIS 36 H -0.29 0.59 -0.61 -0.55 8.41 7.56 1xg7A1 HIS 36 HA -0.22 0.10 0.82 -0.75 4.63 4.58 1xg7A1 HIS 36 HB2 -0.21 0.07 0.13 -0.04 3.26 3.21 1xg7A1 HIS 36 HB3 -0.15 -0.19 0.23 -0.04 3.20 3.05 1xg7A1 HIS 36 HD2 -0.15 -0.05 -0.03 -0.04 6.97 6.69 1xg7A1 HIS 36 HE1 -0.95 -0.06 -0.04 -0.04 7.75 6.65 1xg7A1 GLN 37 H -0.30 0.46 0.01 -0.55 8.47 8.09 1xg7A1 GLN 37 HA -0.06 0.02 0.70 -0.75 4.36 4.27 1xg7A1 GLN 37 HB2 -0.02 0.16 -0.47 -0.04 2.15 1.77 1xg7A1 GLN 37 HB3 -0.05 -0.03 -0.13 -0.04 2.02 1.77 1xg7A1 GLN 37 HG2 0.07 0.01 -0.10 -0.04 2.40 2.34 1xg7A1 GLN 37 HG3 0.10 -0.13 -0.10 -0.04 2.39 2.23 1xg7A1 GLN 37 HE21 0.04 0.48 0.26 -0.04 6.97 7.72 1xg7A1 GLN 37 HE22 0.05 0.45 0.24 -0.04 7.69 8.39 1xg7A1 ASP 38 H -0.04 0.13 0.15 -0.55 8.40 8.09 1xg7A1 ASP 38 HA -0.09 0.18 0.67 -0.75 4.63 4.63 1xg7A1 ASP 38 HB2 -0.02 0.10 0.16 -0.04 2.71 2.91 1xg7A1 ASP 38 HB3 0.00 -0.02 0.20 -0.04 2.70 2.84 1xg7A1 PRO 39 HA 0.17 0.14 0.33 -0.51 4.44 4.57 1xg7A1 PRO 39 HB2 0.07 -0.08 0.10 -0.04 2.28 2.33 1xg7A1 PRO 39 HB3 0.15 0.12 0.11 -0.04 2.02 2.36 1xg7A1 PRO 39 HG2 0.01 0.03 0.14 -0.04 2.03 2.17 1xg7A1 PRO 39 HG3 -0.08 0.18 0.16 -0.04 2.03 2.24 1xg7A1 PRO 39 HD2 -0.03 0.00 0.25 -0.04 3.68 3.86 1xg7A1 PRO 39 HD3 -0.15 0.26 0.34 -0.04 3.65 4.06 1xg7A1 GLU 40 H 0.06 0.13 -0.08 -0.55 8.60 8.16 1xg7A1 GLU 40 HA 0.10 0.08 0.43 -0.75 4.29 4.15 1xg7A1 GLU 40 HB2 0.08 -0.04 0.11 -0.04 2.09 2.20 1xg7A1 GLU 40 HB3 0.06 0.00 0.04 -0.04 1.99 2.04 1xg7A1 GLU 40 HG2 0.07 0.05 -0.23 -0.04 2.34 2.18 1xg7A1 GLU 40 HG3 0.09 -0.04 -0.13 -0.04 2.34 2.22 1xg7A1 MET 41 H 0.06 0.07 -0.19 -0.55 8.47 7.87 1xg7A1 MET 41 HA 0.05 0.05 0.45 -0.75 4.52 4.31 1xg7A1 MET 41 HB2 0.04 -0.02 0.12 -0.04 2.15 2.24 1xg7A1 MET 41 HB3 0.05 0.08 0.11 -0.04 2.03 2.22 1xg7A1 MET 41 HG2 0.03 0.03 0.05 -0.04 2.63 2.69 1xg7A1 MET 41 HG3 0.01 0.05 -0.14 -0.04 2.56 2.44 1xg7A1 MET 41 HE3 0.05 0.03 -0.03 -0.04 2.10 2.10 1xg7A1 PHE 42 H 0.20 0.69 -0.19 -0.55 8.34 8.48 1xg7A1 PHE 42 HA 0.01 0.03 0.30 -0.75 4.62 4.20 1xg7A1 PHE 42 HB2 0.01 0.06 -0.12 -0.04 3.15 3.06 1xg7A1 PHE 42 HB3 0.05 0.12 0.07 -0.04 3.06 3.26 1xg7A1 PHE 42 HD2 0.04 0.02 -0.11 -0.04 7.28 7.19 1xg7A1 PHE 42 HE2 -0.09 0.10 0.03 -0.04 7.38 7.38 1xg7A1 PHE 42 HZ -0.14 -0.03 -0.08 -0.04 7.32 7.03 1xg7A1 ILE 43 H 0.10 0.52 -0.12 -0.55 8.25 8.21 1xg7A1 ILE 43 HA -0.42 0.01 0.43 -0.75 4.18 3.44 1xg7A1 ILE 43 HB 0.06 0.08 0.10 -0.04 1.89 2.09 1xg7A1 ILE 43 HG12 -0.24 -0.05 -0.14 -0.04 1.49 1.02 1xg7A1 ILE 43 HG13 0.07 0.15 0.05 -0.04 1.21 1.44 1xg7A1 ILE 43 HG23 0.14 -0.02 -0.12 -0.04 0.93 0.89 1xg7A1 ILE 43 HD13 -0.28 -0.02 -0.08 -0.04 0.88 0.45 1xg7A1 LYS 44 H 0.03 0.49 -0.17 -0.55 8.42 8.21 1xg7A1 LYS 44 HA 0.05 0.00 0.44 -0.75 4.32 4.06 1xg7A1 LYS 44 HB2 0.03 0.09 0.11 -0.04 1.87 2.06 1xg7A1 LYS 44 HB3 0.04 -0.08 -0.05 -0.04 1.79 1.66 1xg7A1 LYS 44 HG2 0.04 -0.05 0.00 -0.04 1.46 1.41 1xg7A1 LYS 44 HG3 0.06 0.07 0.03 -0.04 1.46 1.58 1xg7A1 LYS 44 HD2 0.04 -0.05 -0.12 -0.04 1.69 1.52 1xg7A1 LYS 44 HD3 0.03 -0.06 -0.08 -0.04 1.68 1.53 1xg7A1 LYS 44 HE2 -0.01 -0.07 0.03 -0.04 2.99 2.90 1xg7A1 LYS 44 HE3 0.04 -0.11 -0.10 -0.04 2.99 2.78 1xg7A1 LEU 45 H -0.01 0.75 -0.14 -0.55 8.37 8.43 1xg7A1 LEU 45 HA 0.03 -0.03 0.54 -0.75 4.35 4.14 1xg7A1 LEU 45 HB2 0.02 0.18 0.11 -0.04 1.64 1.90 1xg7A1 LEU 45 HB3 0.07 -0.05 -0.08 -0.04 1.64 1.54 1xg7A1 LEU 45 HG -0.10 0.09 -0.00 -0.04 1.64 1.59 1xg7A1 LEU 45 HD13 -0.30 -0.00 -0.12 -0.04 0.93 0.46 1xg7A1 LEU 45 HD23 -0.61 -0.03 -0.04 -0.04 0.89 0.17 1xg7A1 VAL 46 H -0.06 0.56 -0.18 -0.55 8.24 8.01 1xg7A1 VAL 46 HA 0.01 -0.00 0.41 -0.75 4.13 3.79 1xg7A1 VAL 46 HB -0.23 0.13 0.13 -0.04 2.12 2.11 1xg7A1 VAL 46 HG13 -0.08 -0.00 -0.24 -0.04 0.97 0.61 1xg7A1 VAL 46 HG23 -0.23 0.04 -0.00 -0.04 0.95 0.72 1xg7A1 ILE 47 H 0.02 0.49 -0.15 -0.55 8.25 8.06 1xg7A1 ILE 47 HA 0.03 0.02 0.46 -0.75 4.18 3.93 1xg7A1 ILE 47 HB 0.05 0.12 0.14 -0.04 1.89 2.16 1xg7A1 ILE 47 HG12 0.06 -0.04 -0.02 -0.04 1.49 1.46 1xg7A1 ILE 47 HG13 0.16 0.07 0.05 -0.04 1.21 1.45 1xg7A1 ILE 47 HG23 0.03 -0.02 -0.20 -0.04 0.93 0.70 1xg7A1 ILE 47 HD13 0.11 -0.02 -0.07 -0.04 0.88 0.85 1xg7A1 ALA 48 H 0.00 0.64 -0.12 -0.55 8.40 8.37 1xg7A1 ALA 48 HA -0.05 0.00 0.37 -0.75 4.34 3.90 1xg7A1 ALA 48 HB3 -0.10 0.00 0.07 -0.04 1.41 1.34 1xg7A1 ASN 49 H -0.07 0.77 -0.21 -0.55 8.53 8.47 1xg7A1 ASN 49 HA -0.00 0.01 0.28 -0.75 4.76 4.29 1xg7A1 ASN 49 HB2 -0.64 0.16 0.05 -0.04 2.88 2.41 1xg7A1 ASN 49 HB3 -0.85 0.02 0.02 -0.04 2.79 1.94 1xg7A1 ASN 49 HD21 -2.26 -0.05 -0.16 -0.04 7.03 4.52 1xg7A1 ASN 49 HD22 -3.06 0.01 -0.17 -0.04 7.74 4.47 1xg7A1 SER 50 H 0.08 0.55 -0.25 -0.55 8.46 8.30 1xg7A1 SER 50 HA 0.56 -0.04 0.30 -0.75 4.49 4.55 1xg7A1 SER 50 HB2 0.06 0.16 0.14 -0.04 3.95 4.27 1xg7A1 SER 50 HB3 0.04 -0.10 -0.10 -0.04 3.93 3.73 1xg7A1 LEU 51 H 0.07 0.45 -0.34 -0.55 8.37 8.00 1xg7A1 LEU 51 HA 0.12 -0.01 0.33 -0.75 4.35 4.04 1xg7A1 LEU 51 HB2 0.01 0.16 0.04 -0.04 1.64 1.80 1xg7A1 LEU 51 HB3 0.03 -0.07 -0.02 -0.04 1.64 1.54 1xg7A1 LEU 51 HG 0.03 0.12 -0.00 -0.04 1.64 1.75 1xg7A1 LEU 51 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.77 1xg7A1 LEU 51 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.74 1xg7A1 VAL 52 H 0.12 0.44 -0.51 -0.55 8.24 7.74 1xg7A1 VAL 52 HA 0.22 0.14 0.85 -0.75 4.13 4.58 1xg7A1 VAL 52 HB -0.10 -0.05 0.14 -0.04 2.12 2.07 1xg7A1 VAL 52 HG13 0.01 -0.02 -0.13 -0.04 0.97 0.80 1xg7A1 VAL 52 HG23 0.12 0.03 -0.05 -0.04 0.95 1.00 1xg7A1 SER 53 H 0.26 0.43 -0.26 -0.55 8.46 8.34 1xg7A1 SER 53 HA -0.14 0.07 0.52 -0.75 4.49 4.19 1xg7A1 SER 53 HB2 0.51 0.09 0.22 -0.04 3.95 4.72 1xg7A1 SER 53 HB3 0.43 -0.14 0.11 -0.04 3.93 4.29 1xg7A1 TYR 54 H -0.36 0.69 -0.17 -0.55 8.29 7.89 1xg7A1 TYR 54 HA -0.10 0.00 0.43 -0.75 4.56 4.14 1xg7A1 TYR 54 HB2 -0.05 -0.11 0.06 -0.04 3.06 2.91 1xg7A1 TYR 54 HB3 -0.04 0.07 -0.14 -0.04 2.98 2.83 1xg7A1 TYR 54 HD2 -0.03 -0.04 -0.33 -0.04 7.15 6.71 1xg7A1 TYR 54 HE2 -0.03 0.06 -0.01 -0.04 6.85 6.82 1xg7A1 GLN 55 H 0.04 0.07 0.11 -0.55 8.47 8.14 1xg7A1 GLN 55 HA -0.05 -0.00 0.36 -0.75 4.36 3.92 1xg7A1 GLN 55 HB2 -0.11 0.12 -0.08 -0.04 2.15 2.03 1xg7A1 GLN 55 HB3 -0.07 0.02 0.17 -0.04 2.02 2.10 1xg7A1 GLN 55 HG2 0.04 0.01 0.08 -0.04 2.40 2.48 1xg7A1 GLN 55 HG3 0.17 -0.08 0.01 -0.04 2.39 2.44 1xg7A1 GLN 55 HE21 0.03 -0.00 0.01 -0.04 6.97 6.97 1xg7A1 GLN 55 HE22 0.01 0.02 0.02 -0.04 7.69 7.70 1xg7A1 LEU 56 H -0.15 -0.07 -0.15 -0.55 8.37 7.45 1xg7A1 LEU 56 HA -0.38 0.15 0.49 -0.75 4.35 3.85 1xg7A1 LEU 56 HB2 -0.13 -0.03 0.05 -0.04 1.64 1.49 1xg7A1 LEU 56 HB3 -0.24 0.13 0.13 -0.04 1.64 1.61 1xg7A1 LEU 56 HG -0.23 -0.13 -0.19 -0.04 1.64 1.05 1xg7A1 LEU 56 HD13 -0.02 -0.02 -0.12 -0.04 0.93 0.73 1xg7A1 LEU 56 HD23 -0.92 0.05 -0.07 -0.04 0.89 -0.09 1xg7A1 THR 57 H -0.24 0.56 0.06 -0.55 8.28 8.12 1xg7A1 THR 57 HA -0.08 0.19 0.85 -0.75 4.39 4.60 1xg7A1 THR 57 HB -0.07 0.07 0.20 -0.04 4.32 4.48 1xg7A1 THR 57 HG23 -0.11 0.01 -0.11 -0.04 1.22 0.97 1xg7A1 GLY 58 H -0.07 0.21 -0.22 -0.55 8.43 7.81 1xg7A1 GLY 58 HA2 0.02 0.11 0.38 -0.51 4.01 4.01 1xg7A1 GLY 58 HA3 0.04 0.01 0.30 -0.51 4.01 3.86 1xg7A1 ARG 59 H 0.10 0.15 0.12 -0.55 8.46 8.27 1xg7A1 ARG 59 HA 0.09 0.14 0.54 -0.75 4.34 4.36 1xg7A1 ARG 59 HB2 0.15 -0.12 0.11 -0.04 1.90 2.00 1xg7A1 ARG 59 HB3 0.13 -0.03 0.09 -0.04 1.80 1.96 1xg7A1 ARG 59 HG2 0.08 0.08 0.03 -0.04 1.67 1.81 1xg7A1 ARG 59 HG3 0.09 0.03 0.09 -0.04 1.67 1.84 1xg7A1 ARG 59 HD2 0.10 0.02 0.03 -0.04 3.22 3.33 1xg7A1 ARG 59 HD3 0.08 0.09 0.02 -0.04 3.22 3.37 1xg7A1 GLY 60 H 0.11 0.21 0.18 -0.55 8.43 8.39 1xg7A1 GLY 60 HA2 0.34 0.13 0.40 -0.51 4.01 4.38 1xg7A1 GLY 60 HA3 0.18 0.10 0.34 -0.51 4.01 4.12 1xg7A1 GLU 61 H 0.20 0.12 -0.10 -0.55 8.60 8.27 1xg7A1 GLU 61 HA 0.30 0.07 0.34 -0.75 4.29 4.24 1xg7A1 ASP 62 H 0.26 0.04 -0.34 -0.55 8.40 7.82 1xg7A1 ASP 62 HA 0.33 0.11 0.49 -0.75 4.63 4.81 1xg7A1 ASP 62 HB2 0.21 0.06 0.10 -0.04 2.71 3.03 1xg7A1 ASP 62 HB3 0.19 0.04 -0.02 -0.04 2.70 2.87 1xg7A1 TRP 63 H 0.41 0.54 -0.14 -0.55 7.97 8.24 1xg7A1 TRP 63 HA 0.06 -0.02 0.46 -0.75 4.62 4.37 1xg7A1 TRP 63 HB2 -0.01 -0.01 -0.05 -0.04 3.23 3.12 1xg7A1 TRP 63 HB3 0.05 0.09 0.13 -0.04 3.23 3.45 1xg7A1 TRP 63 HD1 -0.19 -0.03 -0.06 -0.04 7.22 6.90 1xg7A1 TRP 63 HE1 -0.47 0.07 -0.14 -0.04 10.20 9.62 1xg7A1 TRP 63 HE3 -0.06 -0.14 -0.06 -0.04 7.59 7.29 1xg7A1 TRP 63 HZ2 -0.12 0.09 -0.12 -0.04 7.44 7.25 1xg7A1 TRP 63 HZ3 -0.50 0.01 -0.10 -0.04 7.13 6.50 1xg7A1 TRP 63 HH2 -0.11 0.04 -0.09 -0.04 7.19 6.99 1xg7A1 TRP 64 H 0.32 0.50 -0.12 -0.55 7.97 8.12 1xg7A1 TRP 64 HA -0.38 0.06 0.36 -0.75 4.62 3.91 1xg7A1 TRP 64 HB2 -0.07 0.01 0.11 -0.04 3.23 3.23 1xg7A1 TRP 64 HB3 -0.17 0.03 0.02 -0.04 3.23 3.07 1xg7A1 TRP 64 HD1 0.15 0.18 -0.01 -0.04 7.22 7.50 1xg7A1 TRP 64 HE1 0.38 -0.00 -0.05 -0.04 10.20 10.49 1xg7A1 TRP 64 HE3 -0.11 0.00 -0.04 -0.04 7.59 7.40 1xg7A1 TRP 64 HZ2 0.24 0.02 -0.10 -0.04 7.44 7.56 1xg7A1 TRP 64 HZ3 -0.45 0.01 -0.04 -0.04 7.13 6.61 1xg7A1 TRP 64 HH2 -0.28 0.12 -0.03 -0.04 7.19 6.96 1xg7A1 TRP 65 H 0.32 0.44 -0.20 -0.55 7.97 7.99 1xg7A1 TRP 65 HA 0.10 0.04 0.57 -0.75 4.62 4.58 1xg7A1 TRP 65 HB2 0.10 0.06 0.18 -0.04 3.23 3.53 1xg7A1 TRP 65 HB3 0.03 -0.00 -0.01 -0.04 3.23 3.21 1xg7A1 TRP 65 HD1 0.14 0.03 -0.04 -0.04 7.22 7.30 1xg7A1 TRP 65 HE1 0.16 -0.02 -0.01 -0.04 10.20 10.28 1xg7A1 TRP 65 HE3 -0.12 -0.03 0.08 -0.04 7.59 7.47 1xg7A1 TRP 65 HZ2 0.28 -0.00 -0.16 -0.04 7.44 7.52 1xg7A1 TRP 65 HZ3 -0.50 0.04 -0.01 -0.04 7.13 6.62 1xg7A1 TRP 65 HH2 -0.20 0.06 -0.11 -0.04 7.19 6.90 1xg7A1 GLU 66 H 0.24 0.56 -0.17 -0.55 8.60 8.67 1xg7A1 GLU 66 HA 0.18 0.04 0.46 -0.75 4.29 4.22 1xg7A1 GLU 66 HB2 0.23 0.02 0.12 -0.04 2.09 2.41 1xg7A1 GLU 66 HB3 0.24 0.05 0.18 -0.04 1.99 2.42 1xg7A1 GLU 66 HG2 0.39 0.06 -0.19 -0.04 2.34 2.56 1xg7A1 GLU 66 HG3 0.22 0.04 0.05 -0.04 2.34 2.60 1xg7A1 PHE 67 H -0.18 0.65 -0.07 -0.55 8.34 8.18 1xg7A1 PHE 67 HA -0.24 0.01 0.47 -0.75 4.62 4.10 1xg7A1 PHE 67 HB2 -0.92 -0.04 0.03 -0.04 3.15 2.18 1xg7A1 PHE 67 HB3 -0.70 0.10 0.14 -0.04 3.06 2.55 1xg7A1 PHE 67 HD2 0.06 0.04 -0.07 -0.04 7.28 7.27 1xg7A1 PHE 67 HE2 0.02 -0.01 -0.15 -0.04 7.38 7.19 1xg7A1 PHE 67 HZ -0.05 -0.05 -0.37 -0.04 7.32 6.81 1xg7A1 ALA 68 H 0.07 0.44 -0.24 -0.55 8.40 8.12 1xg7A1 ALA 68 HA -0.23 -0.01 0.22 -0.75 4.34 3.57 1xg7A1 ALA 68 HB3 0.10 0.01 0.11 -0.04 1.41 1.58 1xg7A1 ARG 69 H 0.10 0.58 -0.11 -0.55 8.46 8.48 1xg7A1 ARG 69 HA 0.03 0.03 0.46 -0.75 4.34 4.10 1xg7A1 ARG 69 HB2 0.07 0.06 0.13 -0.04 1.90 2.12 1xg7A1 ARG 69 HB3 0.00 -0.03 -0.01 -0.04 1.80 1.72 1xg7A1 ARG 69 HG2 -0.05 -0.03 0.01 -0.04 1.67 1.56 1xg7A1 ARG 69 HG3 0.13 0.14 0.05 -0.04 1.67 1.95 1xg7A1 ARG 69 HD2 -0.05 -0.01 -0.01 -0.04 3.22 3.11 1xg7A1 ARG 69 HD3 -0.08 -0.06 -0.03 -0.04 3.22 3.01 1xg7A1 TYR 70 H -0.06 0.44 -0.21 -0.55 8.29 7.91 1xg7A1 TYR 70 HA -0.29 0.03 0.42 -0.75 4.56 3.97 1xg7A1 TYR 70 HB2 -0.43 0.03 0.10 -0.04 3.06 2.72 1xg7A1 TYR 70 HB3 -1.13 0.03 0.07 -0.04 2.98 1.91 1xg7A1 TYR 70 HD2 -1.48 -0.00 -0.16 -0.04 7.15 5.47 1xg7A1 TYR 70 HE2 -0.40 -0.03 -0.08 -0.04 6.85 6.30 1xg7A1 PHE 71 H -0.25 0.47 -0.16 -0.55 8.34 7.86 1xg7A1 PHE 71 HA -0.27 0.09 0.65 -0.75 4.62 4.34 1xg7A1 PHE 71 HB2 -0.49 0.08 0.01 -0.04 3.15 2.70 1xg7A1 PHE 71 HB3 -0.19 -0.06 0.05 -0.04 3.06 2.82 1xg7A1 PHE 71 HD2 -0.41 0.09 -0.06 -0.04 7.28 6.86 1xg7A1 PHE 71 HE2 -0.23 -0.06 -0.10 -0.04 7.38 6.94 1xg7A1 PHE 71 HZ -0.48 -0.07 -0.18 -0.04 7.32 6.55 1xg7A1 SER 72 H -0.09 0.27 -0.34 -0.55 8.46 7.75 1xg7A1 SER 72 HA -0.00 0.12 0.61 -0.75 4.49 4.47 1xg7A1 SER 72 HB2 -0.02 0.09 0.18 -0.04 3.95 4.16 1xg7A1 SER 72 HB3 -0.14 -0.08 -0.00 -0.04 3.93 3.66 1xg7A1 GLY 73 H -0.00 0.69 0.39 -0.55 8.43 8.97 1xg7A1 GLY 73 HA2 -0.03 -0.06 0.32 -0.51 4.01 3.73 1xg7A1 GLY 73 HA3 -0.04 0.00 0.46 -0.51 4.01 3.92 1xg7A1 ARG 74 H -0.04 0.49 -0.27 -0.55 8.46 8.09 1xg7A1 ARG 74 HA -0.09 0.08 0.79 -0.75 4.34 4.36 1xg7A1 ARG 74 HB2 -0.26 0.22 -0.16 -0.04 1.90 1.66 1xg7A1 ARG 74 HB3 -0.03 -0.02 0.02 -0.04 1.80 1.73 1xg7A1 ARG 74 HG2 -0.05 -0.01 -0.28 -0.04 1.67 1.29 1xg7A1 ARG 74 HG3 -0.20 -0.05 0.01 -0.04 1.67 1.39 1xg7A1 ARG 74 HD2 -0.55 -0.06 -0.10 -0.04 3.22 2.48 1xg7A1 ARG 74 HD3 -0.30 -0.12 -0.07 -0.04 3.22 2.68 1xg7A1 GLU 75 H -0.03 0.17 0.14 -0.55 8.60 8.32 1xg7A1 VAL 76 H 0.05 0.24 0.15 -0.55 8.24 8.12 1xg7A1 VAL 76 HA 0.10 0.13 0.72 -0.75 4.13 4.33 1xg7A1 VAL 76 HB 0.07 -0.02 0.04 -0.04 2.12 2.17 1xg7A1 VAL 76 HG13 0.12 0.01 -0.40 -0.04 0.97 0.66 1xg7A1 VAL 76 HG23 0.18 0.07 -0.21 -0.04 0.95 0.94 1xg7A1 ASP 77 H 0.07 0.13 0.01 -0.55 8.40 8.06 1xg7A1 ASP 77 HA 0.05 0.20 0.80 -0.75 4.63 4.93 1xg7A1 ASP 77 HB2 0.04 0.06 0.02 -0.04 2.71 2.78 1xg7A1 ASP 77 HB3 0.05 -0.12 0.19 -0.04 2.70 2.78 1xg7A1 SER 78 H 0.08 0.13 0.13 -0.55 8.46 8.25 1xg7A1 SER 78 HA 0.14 0.21 0.70 -0.75 4.49 4.78 1xg7A1 SER 78 HB2 0.11 0.13 0.08 -0.04 3.95 4.24 1xg7A1 SER 78 HB3 0.09 -0.02 0.19 -0.04 3.93 4.14 1xg7A1 ILE 79 H 0.17 0.29 0.13 -0.55 8.25 8.29 1xg7A1 ILE 79 HA 0.25 0.11 0.42 -0.75 4.18 4.21 1xg7A1 ILE 79 HB 0.16 -0.00 0.10 -0.04 1.89 2.10 1xg7A1 ILE 79 HG12 0.08 0.03 -0.06 -0.04 1.49 1.50 1xg7A1 ILE 79 HG13 0.10 0.03 -0.03 -0.04 1.21 1.27 1xg7A1 ILE 79 HG23 0.19 0.02 -0.11 -0.04 0.93 0.99 1xg7A1 ILE 79 HD13 0.06 0.03 -0.10 -0.04 0.88 0.82 1xg7A1 TRP 80 H 0.38 0.09 -0.14 -0.55 7.97 7.76 1xg7A1 TRP 80 HA 0.14 0.12 0.30 -0.75 4.62 4.43 1xg7A1 TRP 80 HB2 0.07 0.07 -0.03 -0.04 3.23 3.30 1xg7A1 TRP 80 HB3 0.08 -0.05 0.04 -0.04 3.23 3.25 1xg7A1 TRP 80 HD1 0.09 -0.01 0.06 -0.04 7.22 7.31 1xg7A1 TRP 80 HE1 0.05 -0.01 -0.10 -0.04 10.20 10.11 1xg7A1 TRP 80 HE3 0.05 -0.04 -0.02 -0.04 7.59 7.54 1xg7A1 TRP 80 HZ2 0.03 0.01 -0.05 -0.04 7.44 7.39 1xg7A1 TRP 80 HZ3 0.03 0.01 -0.02 -0.04 7.13 7.11 1xg7A1 TRP 80 HH2 0.03 0.01 -0.03 -0.04 7.19 7.16 1xg7A1 LYS 81 H 0.15 0.02 -0.30 -0.55 8.42 7.73 1xg7A1 LYS 81 HA -0.25 0.10 0.42 -0.75 4.32 3.84 1xg7A1 ALA 82 H 0.20 0.48 -0.12 -0.55 8.40 8.41 1xg7A1 ALA 82 HA 0.16 0.06 0.47 -0.75 4.34 4.28 1xg7A1 ALA 82 HB3 0.36 0.02 0.05 -0.04 1.41 1.80 1xg7A1 TYR 83 H 0.48 0.52 -0.18 -0.55 8.29 8.56 1xg7A1 TYR 83 HA 0.39 0.02 0.49 -0.75 4.56 4.71 1xg7A1 TYR 83 HB2 0.28 0.10 0.11 -0.04 3.06 3.52 1xg7A1 TYR 83 HB3 0.23 -0.01 -0.02 -0.04 2.98 3.14 1xg7A1 TYR 83 HD2 0.29 0.10 -0.01 -0.04 7.15 7.49 1xg7A1 TYR 83 HE2 0.29 -0.01 -0.07 -0.04 6.85 7.02 1xg7A1 GLY 84 H 0.16 0.38 -0.25 -0.55 8.43 8.18 1xg7A1 GLY 84 HA2 0.08 -0.01 0.41 -0.51 4.01 3.98 1xg7A1 GLY 84 HA3 -0.02 0.04 0.29 -0.51 4.01 3.81 1xg7A1 GLU 85 H 0.09 0.28 -0.42 -0.55 8.60 8.00 1xg7A1 GLU 85 HA 0.03 0.08 0.68 -0.75 4.29 4.33 1xg7A1 GLU 85 HB2 0.11 0.10 0.13 -0.04 2.09 2.39 1xg7A1 GLU 85 HB3 0.11 -0.01 -0.05 -0.04 1.99 2.00 1xg7A1 GLU 85 HG2 0.02 -0.02 -0.07 -0.04 2.34 2.22 1xg7A1 GLU 85 HG3 0.04 -0.04 -0.01 -0.04 2.34 2.29 1xg7A1 PHE 86 H 0.09 0.42 0.02 -0.55 8.34 8.32 1xg7A1 PHE 86 HA -0.58 0.05 0.39 -0.75 4.62 3.73 1xg7A1 PHE 86 HB2 -0.88 0.06 0.04 -0.04 3.15 2.33 1xg7A1 PHE 86 HB3 -0.40 -0.05 0.18 -0.04 3.06 2.74 1xg7A1 PHE 86 HD2 -0.92 0.00 -0.05 -0.04 7.28 6.27 1xg7A1 PHE 86 HE2 -0.04 -0.02 -0.11 -0.04 7.38 7.17 1xg7A1 PHE 86 HZ -0.22 -0.08 -0.22 -0.04 7.32 6.76 1xg7A1 LEU 87 H -0.02 0.61 0.01 -0.55 8.37 8.43 1xg7A1 LEU 87 HA -0.49 -0.04 0.09 -0.75 4.35 3.17 1xg7A1 LEU 87 HB2 -0.01 0.07 0.11 -0.04 1.64 1.78 1xg7A1 LEU 87 HB3 -0.13 0.04 0.00 -0.04 1.64 1.51 1xg7A1 LEU 87 HG 0.28 -0.02 0.06 -0.04 1.64 1.92 1xg7A1 LEU 87 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.90 1xg7A1 LEU 87 HD23 -0.12 0.02 -0.02 -0.04 0.89 0.73 1xg7A1 PRO 88 HA -0.07 0.03 0.41 -0.51 4.44 4.30 1xg7A1 PRO 88 HB2 -0.02 0.07 -0.03 -0.04 2.28 2.26 1xg7A1 PRO 88 HB3 -0.03 -0.06 0.09 -0.04 2.02 1.98 1xg7A1 PRO 88 HG2 -0.01 0.22 0.09 -0.04 2.03 2.29 1xg7A1 PRO 88 HG3 -0.01 -0.10 0.05 -0.04 2.03 1.92 1xg7A1 PRO 88 HD2 -0.02 0.14 -0.61 -0.04 3.68 3.15 1xg7A1 PRO 88 HD3 -0.01 0.06 0.03 -0.04 3.65 3.69 1xg7A1 LYS 89 H -0.06 0.31 -0.44 -0.55 8.42 7.67 1xg7A1 LYS 89 HA -0.02 0.11 0.71 -0.75 4.32 4.36 1xg7A1 LYS 89 HB2 0.02 0.13 0.06 -0.04 1.87 2.03 1xg7A1 LYS 89 HB3 0.03 -0.09 0.14 -0.04 1.79 1.82 1xg7A1 LYS 89 HG2 0.00 -0.06 -0.06 -0.04 1.46 1.30 1xg7A1 LYS 89 HG3 0.00 0.08 -0.01 -0.04 1.46 1.49 1xg7A1 LYS 89 HD2 0.06 0.09 0.02 -0.04 1.69 1.82 1xg7A1 LYS 89 HD3 0.04 -0.07 0.01 -0.04 1.68 1.63 1xg7A1 LYS 89 HE2 0.02 -0.06 -0.00 -0.04 2.99 2.90 1xg7A1 LYS 89 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 1xg7A1 SER 90 H -0.16 0.41 -0.38 -0.55 8.46 7.79 1xg7A1 SER 90 HA -0.02 0.04 0.46 -0.75 4.49 4.21 1xg7A1 SER 90 HB2 -0.08 -0.26 0.03 -0.04 3.95 3.59 1xg7A1 SER 90 HB3 -0.49 0.20 -0.00 -0.04 3.93 3.60 1xg7A1 LYS 91 H 0.05 0.08 0.14 -0.55 8.42 8.14 1xg7A1 LYS 91 HA -0.01 0.24 0.80 -0.75 4.32 4.61 1xg7A1 LYS 91 HB2 0.05 0.07 0.09 -0.04 1.87 2.04 1xg7A1 LYS 91 HB3 0.09 -0.10 0.10 -0.04 1.79 1.83 1xg7A1 LYS 91 HG2 0.04 -0.03 -0.28 -0.04 1.46 1.15 1xg7A1 LYS 91 HG3 0.02 0.05 0.03 -0.04 1.46 1.52 1xg7A1 LYS 91 HD2 0.03 0.02 -0.00 -0.04 1.69 1.70 1xg7A1 LYS 91 HD3 0.06 0.02 -0.00 -0.04 1.68 1.71 1xg7A1 LYS 91 HE2 0.06 0.01 -0.02 -0.04 2.99 3.00 1xg7A1 LYS 91 HE3 0.09 -0.07 -0.07 -0.04 2.99 2.90 1xg7A1 ASN 92 H 0.09 0.07 -0.00 -0.55 8.53 8.15 1xg7A1 ASN 92 HA -0.02 0.24 0.11 -0.75 4.76 4.33 1xg7A1 ASN 92 HB2 0.43 0.06 -0.02 -0.04 2.88 3.31 1xg7A1 ASN 92 HB3 0.18 -0.04 -0.05 -0.04 2.79 2.83 1xg7A1 ASN 92 HD21 0.17 0.05 -0.13 -0.04 7.03 7.07 1xg7A1 ASN 92 HD22 0.26 0.07 -0.14 -0.04 7.74 7.89 1xg7A1 ASN 93 H -0.23 0.17 -0.35 -0.55 8.53 7.57 1xg7A1 ASN 93 HA -0.50 0.01 0.81 -0.75 4.76 4.33 1xg7A1 ASN 93 HB2 -2.07 -0.08 -0.34 -0.04 2.88 0.35 1xg7A1 ASN 93 HB3 -1.09 0.04 0.08 -0.04 2.79 1.79 1xg7A1 ASN 93 HD21 -0.59 0.45 0.05 -0.04 7.03 6.90 1xg7A1 ASN 93 HD22 -1.23 -0.10 -0.07 -0.04 7.74 6.30 1xg7A1 ARG 94 H -0.21 0.11 -0.07 -0.55 8.46 7.73 1xg7A1 ARG 94 HA -0.18 0.28 0.88 -0.75 4.34 4.56 1xg7A1 ARG 94 HB2 -0.10 -0.04 0.16 -0.04 1.90 1.89 1xg7A1 ARG 94 HB3 -0.13 0.24 -0.11 -0.04 1.80 1.75 1xg7A1 ARG 94 HG2 -0.11 -0.06 -0.17 -0.04 1.67 1.28 1xg7A1 ARG 94 HG3 -0.09 -0.09 -0.06 -0.04 1.67 1.38 1xg7A1 ARG 94 HD2 -0.06 -0.02 0.04 -0.04 3.22 3.15 1xg7A1 ARG 94 HD3 -0.06 0.38 0.05 -0.04 3.22 3.55 1xg7A1 ARG 95 H -0.21 0.11 -0.06 -0.55 8.46 7.74 1xg7A1 ARG 95 HA -0.10 0.16 1.03 -0.75 4.34 4.68 1xg7A1 ARG 95 HB2 -0.16 0.21 0.09 -0.04 1.90 2.00 1xg7A1 ARG 95 HB3 -0.10 -0.04 0.04 -0.04 1.80 1.66 1xg7A1 ARG 95 HG2 -0.07 -0.00 0.02 -0.04 1.67 1.58 1xg7A1 ARG 95 HG3 -0.10 -0.06 -0.16 -0.04 1.67 1.31 1xg7A1 ARG 95 HD2 -0.06 -0.00 -0.03 -0.04 3.22 3.09 1xg7A1 ARG 95 HD3 -0.09 0.10 -0.09 -0.04 3.22 3.10 1xg7A1 LEU 96 H -0.07 0.14 0.15 -0.55 8.37 8.05 1xg7A1 LEU 96 HA -0.04 -0.04 0.35 -0.75 4.35 3.87 1xg7A1 LEU 96 HB2 -0.17 0.31 -0.05 -0.04 1.64 1.69 1xg7A1 LEU 96 HB3 -0.02 -0.10 0.19 -0.04 1.64 1.67 1xg7A1 LEU 96 HG -0.06 -0.04 -0.12 -0.04 1.64 1.38 1xg7A1 LEU 96 HD13 0.02 0.03 -0.05 -0.04 0.93 0.89 1xg7A1 LEU 96 HD23 0.00 -0.01 0.05 -0.04 0.89 0.90 1xg7A1 ILE 97 H -0.06 0.16 -0.24 -0.55 8.25 7.56 1xg7A1 ILE 97 HA -0.06 0.17 0.19 -0.75 4.18 3.74 1xg7A1 ILE 97 HB -0.03 -0.04 0.02 -0.04 1.89 1.81 1xg7A1 ILE 97 HG12 -0.09 0.06 -0.14 -0.04 1.49 1.28 1xg7A1 ILE 97 HG13 -0.10 -0.03 -0.41 -0.04 1.21 0.62 1xg7A1 ILE 97 HG23 0.02 0.01 -0.15 -0.04 0.93 0.77 1xg7A1 ILE 97 HD13 -0.07 0.04 -0.12 -0.04 0.88 0.69 1xg7A1 GLU 98 H 0.01 0.06 -0.17 -0.55 8.60 7.95 1xg7A1 GLU 98 HA 0.07 0.12 0.40 -0.75 4.29 4.11 1xg7A1 GLU 98 HB2 0.03 0.04 0.08 -0.04 2.09 2.20 1xg7A1 GLU 98 HB3 0.02 -0.06 0.08 -0.04 1.99 2.00 1xg7A1 GLU 98 HG2 0.04 0.02 -0.28 -0.04 2.34 2.08 1xg7A1 GLU 98 HG3 0.06 0.01 0.00 -0.04 2.34 2.38 1xg7A1 ALA 99 H 0.02 0.08 -0.17 -0.55 8.40 7.79 1xg7A1 ALA 99 HA 0.04 0.06 0.38 -0.75 4.34 4.07 1xg7A1 ALA 99 HB3 0.07 0.04 0.08 -0.04 1.41 1.56 1xg7A1 LYS 100 H 0.02 0.48 -0.18 -0.55 8.42 8.18 1xg7A1 LYS 100 HA 0.09 0.07 0.42 -0.75 4.32 4.14 1xg7A1 LYS 100 HB2 -0.04 0.04 0.08 -0.04 1.87 1.90 1xg7A1 LYS 100 HB3 -0.03 -0.03 -0.00 -0.04 1.79 1.69 1xg7A1 LYS 100 HG2 -0.22 -0.03 0.06 -0.04 1.46 1.22 1xg7A1 LYS 100 HG3 -0.13 -0.06 0.05 -0.04 1.46 1.27 1xg7A1 LYS 100 HD2 -0.28 0.09 -0.16 -0.04 1.69 1.31 1xg7A1 LYS 100 HD3 -0.34 -0.01 0.01 -0.04 1.68 1.30 1xg7A1 LYS 100 HE2 -1.09 0.03 0.07 -0.04 2.99 1.95 1xg7A1 LYS 100 HE3 -1.01 -0.19 -0.02 -0.04 2.99 1.73 1xg7A1 LEU 101 H 0.08 0.63 -0.09 -0.55 8.37 8.45 1xg7A1 LEU 101 HA 0.22 0.01 0.52 -0.75 4.35 4.34 1xg7A1 LEU 101 HB2 0.18 0.11 0.17 -0.04 1.64 2.06 1xg7A1 LEU 101 HB3 0.44 -0.07 -0.01 -0.04 1.64 1.96 1xg7A1 LEU 101 HG 0.13 0.17 0.04 -0.04 1.64 1.94 1xg7A1 LEU 101 HD13 0.11 -0.01 -0.02 -0.04 0.93 0.97 1xg7A1 LEU 101 HD23 0.29 0.02 -0.20 -0.04 0.89 0.95 1xg7A1 ASN 102 H 0.08 0.54 -0.17 -0.55 8.53 8.43 1xg7A1 ASN 102 HA -0.08 -0.02 0.53 -0.75 4.76 4.44 1xg7A1 ASN 102 HB2 0.02 0.16 0.20 -0.04 2.88 3.22 1xg7A1 ASN 102 HB3 -0.02 -0.01 -0.01 -0.04 2.79 2.71 1xg7A1 ASN 102 HD21 0.04 -0.06 -0.03 -0.04 7.03 6.93 1xg7A1 ASN 102 HD22 0.03 -0.04 -0.08 -0.04 7.74 7.61 1xg7A1 ARG 103 H 0.01 0.38 -0.29 -0.55 8.46 8.01 1xg7A1 ARG 103 HA -0.05 0.07 0.58 -0.75 4.34 4.19 1xg7A1 ARG 103 HB2 0.04 0.15 0.16 -0.04 1.90 2.21 1xg7A1 ARG 103 HB3 0.01 -0.03 -0.02 -0.04 1.80 1.71 1xg7A1 ARG 103 HG2 -0.01 -0.03 0.04 -0.04 1.67 1.63 1xg7A1 ARG 103 HG3 0.02 0.07 0.05 -0.04 1.67 1.77 1xg7A1 ARG 103 HD2 0.03 -0.09 -0.03 -0.04 3.22 3.09 1xg7A1 ARG 103 HD3 0.19 -0.02 -0.05 -0.04 3.22 3.30 1xg7A1 ILE 104 H -0.02 0.49 -0.11 -0.55 8.25 8.07 1xg7A1 ILE 104 HA -0.06 0.03 0.44 -0.75 4.18 3.84 1xg7A1 ILE 104 HB 0.09 0.11 0.13 -0.04 1.89 2.19 1xg7A1 ILE 104 HG12 -0.20 -0.00 -0.02 -0.04 1.49 1.24 1xg7A1 ILE 104 HG13 -0.09 0.19 0.02 -0.04 1.21 1.29 1xg7A1 ILE 104 HG23 0.07 -0.03 -0.20 -0.04 0.93 0.72 1xg7A1 ILE 104 HD13 -0.64 -0.01 -0.10 -0.04 0.88 0.09 1xg7A1 ARG 105 H -0.28 0.56 -0.20 -0.55 8.46 7.98 1xg7A1 ARG 105 HA -0.71 -0.08 0.44 -0.75 4.34 3.24 1xg7A1 ARG 105 HB2 -1.31 0.08 0.13 -0.04 1.90 0.77 1xg7A1 ARG 105 HB3 -0.51 0.17 0.15 -0.04 1.80 1.56 1xg7A1 ARG 105 HG2 -0.72 -0.02 -0.07 -0.04 1.67 0.82 1xg7A1 ARG 105 HG3 -2.36 -0.07 0.03 -0.04 1.67 -0.78 1xg7A1 LYS 106 H -0.19 0.49 -0.21 -0.55 8.42 7.95 1xg7A1 LYS 106 HA -0.13 -0.01 0.40 -0.75 4.32 3.82 1xg7A1 LYS 106 HB2 -0.09 0.16 0.20 -0.04 1.87 2.11 1xg7A1 LYS 106 HB3 -0.08 0.05 -0.01 -0.04 1.79 1.71 1xg7A1 LYS 106 HG2 -0.10 -0.08 0.08 -0.04 1.46 1.32 1xg7A1 LYS 106 HG3 -0.11 0.14 0.13 -0.04 1.46 1.58 1xg7A1 VAL 107 H -0.07 0.43 -0.19 -0.55 8.24 7.86 1xg7A1 VAL 107 HA 0.03 0.04 0.32 -0.75 4.13 3.77 1xg7A1 VAL 107 HB -0.02 0.10 0.05 -0.04 2.12 2.21 1xg7A1 VAL 107 HG13 -0.00 0.01 -0.09 -0.04 0.97 0.85 1xg7A1 VAL 107 HG23 0.08 -0.03 -0.03 -0.04 0.95 0.93 1xg7A1 GLU 108 H -0.04 0.54 -0.29 -0.55 8.60 8.26 1xg7A1 GLU 108 HA 0.05 -0.04 0.34 -0.75 4.29 3.88 1xg7A1 GLY 109 H -0.01 0.38 -0.19 -0.55 8.43 8.06 1xg7A1 GLY 109 HA2 0.02 0.01 0.48 -0.51 4.01 4.01 1xg7A1 GLY 109 HA3 0.02 0.09 0.29 -0.51 4.01 3.90 1xg7A1 PHE 110 H 0.16 0.26 -0.14 -0.55 8.34 8.07 1xg7A1 PHE 110 HA -0.00 0.00 0.33 -0.75 4.62 4.20 1xg7A1 PHE 110 HB2 -0.03 -0.00 0.12 -0.04 3.15 3.19 1xg7A1 PHE 110 HB3 -0.04 0.16 0.20 -0.04 3.06 3.34 1xg7A1 PHE 110 HD2 -0.03 0.01 -0.03 -0.04 7.28 7.20 1xg7A1 PHE 110 HE2 -0.07 -0.02 -0.07 -0.04 7.38 7.18 1xg7A1 PHE 110 HZ -0.31 -0.04 -0.08 -0.04 7.32 6.85 1xg7A1 LEU 111 H 0.06 0.60 -0.13 -0.55 8.37 8.36 1xg7A1 LEU 111 HA -0.30 -0.02 0.26 -0.75 4.35 3.53 1xg7A1 LEU 111 HB2 0.02 0.06 0.08 -0.04 1.64 1.76 1xg7A1 LEU 111 HB3 -0.01 -0.05 0.00 -0.04 1.64 1.54 1xg7A1 LEU 111 HG 0.14 0.15 -0.00 -0.04 1.64 1.88 1xg7A1 LEU 111 HD13 0.05 -0.03 -0.07 -0.04 0.93 0.83 1xg7A1 LEU 111 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.80 1xg7A1 SER 112 H -0.01 0.53 -0.17 -0.55 8.46 8.26 1xg7A1 SER 112 HA 0.00 -0.01 0.51 -0.75 4.49 4.23 1xg7A1 SER 112 HB2 0.01 0.15 0.15 -0.04 3.95 4.21 1xg7A1 SER 112 HB3 0.02 -0.09 0.07 -0.04 3.93 3.89 1xg7A1 THR 113 H -0.09 0.46 -0.31 -0.55 8.28 7.79 1xg7A1 THR 113 HA -0.03 0.03 0.53 -0.75 4.39 4.17 1xg7A1 THR 113 HB -0.02 -0.11 0.11 -0.04 4.32 4.25 1xg7A1 THR 113 HG23 0.01 0.05 0.03 -0.04 1.22 1.27 1xg7A1 LEU 114 H -0.13 0.48 -0.30 -0.55 8.37 7.88 1xg7A1 LEU 114 HA -0.06 -0.01 0.59 -0.75 4.35 4.12 1xg7A1 LEU 114 HB2 -0.08 0.10 0.09 -0.04 1.64 1.71 1xg7A1 LEU 114 HB3 0.00 -0.08 -0.03 -0.04 1.64 1.49 1xg7A1 LEU 114 HG -0.54 0.21 -0.00 -0.04 1.64 1.27 1xg7A1 LEU 114 HD13 -0.28 -0.03 -0.11 -0.04 0.93 0.47 1xg7A1 LEU 114 HD23 -0.15 -0.02 -0.15 -0.04 0.89 0.52 1xg7A1 THR 115 H 0.00 0.01 0.21 -0.55 8.28 7.95 1xg7A1 THR 115 HA 0.03 0.28 0.78 -0.75 4.39 4.72 1xg7A1 THR 115 HB 0.03 -0.09 0.22 -0.04 4.32 4.44 1xg7A1 THR 115 HG23 0.01 0.08 0.03 -0.04 1.22 1.29 1xg7A1 LEU 116 H 0.07 0.21 0.17 -0.55 8.37 8.28 1xg7A1 LEU 116 HA 0.19 0.15 0.53 -0.75 4.35 4.46 1xg7A1 LEU 116 HB2 0.12 0.00 0.15 -0.04 1.64 1.86 1xg7A1 LEU 116 HB3 0.12 0.01 0.10 -0.04 1.64 1.83 1xg7A1 LEU 116 HG 0.36 0.01 -0.10 -0.04 1.64 1.87 1xg7A1 LEU 116 HD13 0.19 -0.00 -0.05 -0.04 0.93 1.03 1xg7A1 LEU 116 HD23 0.15 0.02 0.00 -0.04 0.89 1.02 1xg7A1 LYS 117 H 0.06 0.08 -0.13 -0.55 8.42 7.87 1xg7A1 LYS 117 HA 0.01 0.16 0.45 -0.75 4.32 4.19 1xg7A1 LYS 117 HB2 0.02 0.00 0.10 -0.04 1.87 1.95 1xg7A1 LYS 117 HB3 -0.00 0.01 0.01 -0.04 1.79 1.77 1xg7A1 ASP 118 H 0.02 0.01 -0.19 -0.55 8.40 7.69 1xg7A1 ASP 118 HA -0.10 0.10 0.45 -0.75 4.63 4.33 1xg7A1 ASP 118 HB2 0.02 0.13 0.13 -0.04 2.71 2.95 1xg7A1 ASP 118 HB3 -0.07 0.07 -0.00 -0.04 2.70 2.66 1xg7A1 LEU 119 H 0.16 0.32 -0.36 -0.55 8.37 7.94 1xg7A1 LEU 119 HA 0.46 0.05 0.45 -0.75 4.35 4.55 1xg7A1 LEU 119 HB2 0.44 0.11 0.11 -0.04 1.64 2.26 1xg7A1 LEU 119 HB3 0.56 -0.00 -0.02 -0.04 1.64 2.14 1xg7A1 LEU 119 HG 0.19 0.13 -0.02 -0.04 1.64 1.91 1xg7A1 LEU 119 HD13 0.18 -0.02 -0.05 -0.04 0.93 1.00 1xg7A1 LEU 119 HD23 0.28 -0.00 -0.08 -0.04 0.89 1.05 1xg7A1 GLU 120 H 0.06 0.50 -0.09 -0.55 8.60 8.53 1xg7A1 GLU 120 HA -0.80 0.05 0.43 -0.75 4.29 3.22 1xg7A1 GLU 120 HB2 -0.75 0.05 0.13 -0.04 2.09 1.47 1xg7A1 GLU 120 HB3 -0.28 0.05 0.08 -0.04 1.99 1.80 1xg7A1 GLU 120 HG2 -0.37 -0.03 -0.03 -0.04 2.34 1.87 1xg7A1 GLU 120 HG3 -1.37 0.02 0.05 -0.04 2.34 1.00 1xg7A1 GLY 121 H -0.05 0.40 -0.41 -0.55 8.43 7.83 1xg7A1 GLY 121 HA2 -0.06 0.02 0.42 -0.51 4.01 3.89 1xg7A1 GLY 121 HA3 -0.11 0.05 0.26 -0.51 4.01 3.69 1xg7A1 TYR 122 H 0.11 0.45 -0.13 -0.55 8.29 8.18 1xg7A1 TYR 122 HA 0.10 0.02 0.40 -0.75 4.56 4.33 1xg7A1 TYR 122 HB2 0.15 0.09 0.15 -0.04 3.06 3.41 1xg7A1 TYR 122 HB3 -0.15 -0.07 -0.04 -0.04 2.98 2.68 1xg7A1 TYR 122 HD2 0.04 -0.04 -0.07 -0.04 7.15 7.04 1xg7A1 TYR 122 HE2 0.05 -0.01 -0.22 -0.04 6.85 6.62 1xg7A1 TYR 123 H 0.54 0.58 -0.22 -0.55 8.29 8.64 1xg7A1 TYR 123 HA 0.45 -0.00 0.41 -0.75 4.56 4.66 1xg7A1 TYR 123 HB2 0.23 -0.01 0.05 -0.04 3.06 3.28 1xg7A1 TYR 123 HB3 0.03 0.14 0.05 -0.04 2.98 3.16 1xg7A1 TYR 123 HD2 0.08 -0.01 -0.04 -0.04 7.15 7.13 1xg7A1 TYR 123 HE2 -0.04 0.10 -0.07 -0.04 6.85 6.79 1xg7A1 LYS 124 H 0.09 0.45 -0.28 -0.55 8.42 8.13 1xg7A1 LYS 124 HA -0.17 0.05 0.45 -0.75 4.32 3.90 1xg7A1 LYS 124 HB2 -0.03 0.11 0.13 -0.04 1.87 2.04 1xg7A1 LYS 124 HB3 -0.05 -0.08 0.05 -0.04 1.79 1.67 1xg7A1 LYS 124 HG2 -0.11 -0.04 0.02 -0.04 1.46 1.29 1xg7A1 LYS 124 HG3 -0.09 0.09 0.01 -0.04 1.46 1.42 1xg7A1 LYS 124 HD2 -0.08 -0.00 -0.09 -0.04 1.69 1.48 1xg7A1 LYS 124 HD3 -0.06 -0.06 -0.01 -0.04 1.68 1.51 1xg7A1 LYS 124 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.85 1xg7A1 LYS 124 HE3 -0.09 0.04 -0.05 -0.04 2.99 2.85 1xg7A1 ASN 125 H 0.13 0.28 -0.74 -0.55 8.53 7.65 1xg7A1 ASN 125 HA 0.05 0.10 0.76 -0.75 4.76 4.92 1xg7A1 ASN 125 HB2 0.08 0.09 0.13 -0.04 2.88 3.14 1xg7A1 ASN 125 HB3 0.08 -0.15 0.14 -0.04 2.79 2.81 1xg7A1 ASN 125 HD21 -0.02 -0.04 -0.10 -0.04 7.03 6.83 1xg7A1 ASN 125 HD22 -0.00 0.44 -0.01 -0.04 7.74 8.12 1xg7A1 MET 126 H 0.10 0.28 -0.03 -0.55 8.47 8.28 1xg7A1 MET 126 HA 0.22 0.21 0.34 -0.75 4.52 4.53 1xg7A1 MET 126 HB2 0.14 0.03 0.15 -0.04 2.15 2.43 1xg7A1 MET 126 HB3 0.16 -0.09 0.05 -0.04 2.03 2.12 1xg7A1 MET 126 HG2 0.47 -0.08 0.01 -0.04 2.63 2.98 1xg7A1 MET 126 HG3 0.38 0.21 0.12 -0.04 2.56 3.22 1xg7A1 MET 126 HE3 -0.06 0.09 -0.07 -0.04 2.10 2.02 1xg7A1 LYS 127 H 0.14 0.14 -0.21 -0.55 8.42 7.94 1xg7A1 LYS 127 HA 0.39 0.06 0.45 -0.75 4.32 4.48 1xg7A1 LYS 127 HB2 0.18 0.04 -0.01 -0.04 1.87 2.04 1xg7A1 LYS 127 HB3 0.37 0.02 0.02 -0.04 1.79 2.16 1xg7A1 LYS 127 HG2 0.15 -0.01 0.00 -0.04 1.46 1.56 1xg7A1 LYS 127 HG3 0.11 -0.00 0.05 -0.04 1.46 1.57 1xg7A1 LYS 127 HD2 0.09 -0.05 0.01 -0.04 1.69 1.71 1xg7A1 LYS 127 HD3 0.13 0.06 -0.00 -0.04 1.68 1.82 1xg7A1 LYS 127 HE2 0.37 -0.01 -0.03 -0.04 2.99 3.28 1xg7A1 LYS 127 HE3 0.17 0.01 -0.01 -0.04 2.99 3.13 1xg7A1 MET 128 H 0.19 0.41 -0.18 -0.55 8.47 8.34 1xg7A1 MET 128 HA 0.13 0.04 0.52 -0.75 4.52 4.46 1xg7A1 MET 128 HB2 0.33 0.21 0.15 -0.04 2.15 2.80 1xg7A1 MET 128 HB3 0.29 -0.02 0.00 -0.04 2.03 2.25 1xg7A1 MET 128 HG2 0.12 -0.06 0.06 -0.04 2.63 2.71 1xg7A1 MET 128 HG3 0.09 0.05 0.03 -0.04 2.56 2.68 1xg7A1 MET 128 HE3 0.06 0.00 -0.01 -0.04 2.10 2.12 1xg7A1 LEU 129 H 0.18 0.32 -0.07 -0.55 8.37 8.25 1xg7A1 LEU 129 HA -0.65 0.03 0.43 -0.75 4.35 3.41 1xg7A1 LEU 129 HB2 -0.47 0.02 0.07 -0.04 1.64 1.22 1xg7A1 LEU 129 HB3 -0.15 0.15 0.10 -0.04 1.64 1.70 1xg7A1 LEU 129 HG -0.33 -0.03 -0.32 -0.04 1.64 0.92 1xg7A1 LEU 129 HD13 -0.70 -0.01 -0.02 -0.04 0.93 0.15 1xg7A1 LEU 129 HD23 -1.07 0.01 -0.09 -0.04 0.89 -0.30 1xg7A1 TRP 130 H 0.20 0.55 -0.11 -0.55 7.97 8.06 1xg7A1 TRP 130 HA -0.12 0.03 0.43 -0.75 4.62 4.21 1xg7A1 TRP 130 HB2 -0.04 0.04 0.11 -0.04 3.23 3.30 1xg7A1 TRP 130 HB3 -0.03 0.16 0.19 -0.04 3.23 3.51 1xg7A1 TRP 130 HD1 -0.06 -0.05 -0.04 -0.04 7.22 7.03 1xg7A1 TRP 130 HE1 -0.03 0.33 0.10 -0.04 10.20 10.56 1xg7A1 TRP 130 HE3 -0.00 -0.01 0.04 -0.04 7.59 7.58 1xg7A1 TRP 130 HZ2 -0.01 0.01 0.01 -0.04 7.44 7.41 1xg7A1 TRP 130 HZ3 0.00 -0.05 -0.07 -0.04 7.13 6.97 1xg7A1 TRP 130 HH2 0.00 0.01 -0.04 -0.04 7.19 7.12 1xg7A1 LYS 131 H 0.03 0.55 -0.19 -0.55 8.42 8.25 1xg7A1 LYS 131 HA -0.48 0.00 0.44 -0.75 4.32 3.53 1xg7A1 LYS 131 HB2 -0.07 0.11 0.23 -0.04 1.87 2.10 1xg7A1 LYS 131 HB3 -0.16 -0.04 0.04 -0.04 1.79 1.59 1xg7A1 LYS 131 HG2 -0.37 -0.04 0.04 -0.04 1.46 1.05 1xg7A1 LYS 131 HG3 -0.58 -0.03 0.03 -0.04 1.46 0.84 1xg7A1 LYS 131 HD2 0.03 0.10 -0.07 -0.04 1.69 1.71 1xg7A1 LYS 131 HD3 -0.06 -0.03 -0.01 -0.04 1.68 1.54 1xg7A1 LYS 131 HE2 0.04 -0.04 -0.03 -0.04 2.99 2.92 1xg7A1 LYS 131 HE3 -0.09 -0.01 -0.02 -0.04 2.99 2.84 1xg7A1 ALA 132 H -0.14 0.49 -0.21 -0.55 8.40 7.99 1xg7A1 ALA 132 HA -0.22 0.01 0.47 -0.75 4.34 3.85 1xg7A1 ALA 132 HB3 -0.28 0.01 0.09 -0.04 1.41 1.19 1xg7A1 LEU 133 H -0.28 0.67 -0.10 -0.55 8.37 8.11 1xg7A1 LEU 133 HA -0.37 0.02 0.60 -0.75 4.35 3.84 1xg7A1 LEU 133 HB2 -0.10 0.11 0.11 -0.04 1.64 1.72 1xg7A1 LEU 133 HB3 -0.12 -0.07 -0.03 -0.04 1.64 1.38 1xg7A1 LEU 133 HG -0.27 0.16 0.02 -0.04 1.64 1.51 1xg7A1 LEU 133 HD13 -0.08 -0.02 -0.10 -0.04 0.93 0.70 1xg7A1 LEU 133 HD23 -0.20 -0.02 -0.05 -0.04 0.89 0.58 1xg7A1 ILE 134 H -0.23 0.56 -0.14 -0.55 8.25 7.88 1xg7A1 ILE 134 HA -0.14 -0.04 0.43 -0.75 4.18 3.67 1xg7A1 ILE 134 HB -0.33 0.11 0.13 -0.04 1.89 1.76 1xg7A1 ILE 134 HG12 -0.18 0.00 -0.19 -0.04 1.49 1.08 1xg7A1 ILE 134 HG13 -0.25 0.07 0.01 -0.04 1.21 1.00 1xg7A1 ILE 134 HG23 -0.20 0.06 -0.11 -0.04 0.93 0.64 1xg7A1 ILE 134 HD13 -0.99 -0.03 -0.08 -0.04 0.88 -0.26 1xg7A1 LYS 135 H -0.22 0.45 -0.25 -0.55 8.42 7.85 1xg7A1 LYS 135 HA -0.13 0.01 0.45 -0.75 4.32 3.90 1xg7A1 LYS 135 HB2 -0.15 0.05 0.15 -0.04 1.87 1.88 1xg7A1 LYS 135 HB3 -0.19 0.10 0.22 -0.04 1.79 1.88 1xg7A1 LYS 135 HG2 -0.10 0.01 -0.15 -0.04 1.46 1.19 1xg7A1 LYS 135 HG3 -0.09 -0.03 0.02 -0.04 1.46 1.31 1xg7A1 LYS 135 HD2 -0.06 -0.03 -0.01 -0.04 1.69 1.55 1xg7A1 LYS 135 HD3 -0.08 0.00 0.01 -0.04 1.68 1.58 1xg7A1 LYS 135 HE2 -0.04 0.02 -0.00 -0.04 2.99 2.92 1xg7A1 LYS 135 HE3 -0.04 -0.00 -0.03 -0.04 2.99 2.88 1xg7A1 ILE 136 H -0.26 0.56 0.04 -0.55 8.25 8.04 1xg7A1 ILE 136 HA -0.11 0.03 0.21 -0.75 4.18 3.55 1xg7A1 ILE 136 HB -0.10 -0.00 0.08 -0.04 1.89 1.83 1xg7A1 ILE 136 HG23 -0.35 0.08 0.10 -0.04 0.93 0.72 1xg7A1 MET 137 H -0.15 0.41 -0.32 -0.55 8.47 7.86 1xg7A1 MET 137 HA -0.08 0.10 0.60 -0.75 4.52 4.38 1xg7A1 MET 137 HB2 -0.09 0.04 -0.01 -0.04 2.15 2.06 1xg7A1 MET 137 HB3 -0.07 -0.08 0.02 -0.04 2.03 1.86 1xg7A1 MET 137 HG2 -0.13 0.11 0.05 -0.04 2.63 2.62 1xg7A1 MET 137 HG3 -0.07 -0.08 -0.04 -0.04 2.56 2.33 1xg7A1 MET 137 HE3 -0.05 0.02 0.04 -0.04 2.10 2.08 1xg7A1 GLY 138 H -0.10 0.37 -0.28 -0.55 8.43 7.87 1xg7A1 GLY 138 HA2 -0.08 0.07 0.36 -0.51 4.01 3.86 1xg7A1 GLY 138 HA3 -0.07 -0.02 0.42 -0.51 4.01 3.83 1xg7A1 SER 139 H -0.09 0.29 0.10 -0.55 8.46 8.22 1xg7A1 SER 139 HA -0.05 0.18 0.88 -0.75 4.49 4.74 1xg7A1 SER 139 HB2 -0.04 -0.18 0.10 -0.04 3.95 3.80 1xg7A1 SER 139 HB3 -0.06 0.09 -0.12 -0.04 3.93 3.81 1xg7A1 ARG 140 H -0.03 0.06 0.15 -0.55 8.46 8.10 1xg7A1 ARG 140 HA -0.03 0.16 0.52 -0.75 4.34 4.23 1xg7A1 GLU 141 H -0.02 0.19 0.17 -0.55 8.60 8.39 1xg7A1 GLU 141 HA -0.06 0.14 0.45 -0.75 4.29 4.06 1xg7A1 GLU 141 HB2 0.06 -0.06 0.12 -0.04 2.09 2.17 1xg7A1 GLU 141 HB3 0.28 0.07 -0.03 -0.04 1.99 2.27 1xg7A1 GLU 141 HG2 -0.37 0.04 0.07 -0.04 2.34 2.04 1xg7A1 GLU 141 HG3 -0.12 -0.00 0.08 -0.04 2.34 2.26 1xg7A1 ASP 142 H 0.09 -0.02 -0.40 -0.55 8.40 7.53 1xg7A1 ASP 142 HA 0.17 0.28 0.61 -0.75 4.63 4.94 1xg7A1 ASP 142 HB2 0.09 0.00 0.10 -0.04 2.71 2.86 1xg7A1 ASP 142 HB3 0.12 0.03 -0.06 -0.04 2.70 2.76 1xg7A1 SER 143 H 0.09 0.38 -0.45 -0.55 8.46 7.93 1xg7A1 SER 143 HA 0.02 0.02 0.49 -0.75 4.49 4.27 1xg7A1 SER 143 HB2 0.00 -0.06 0.15 -0.04 3.95 3.99 1xg7A1 SER 143 HB3 0.05 0.26 0.07 -0.04 3.93 4.26 1xg7A1 LYS 144 H 0.02 0.17 0.20 -0.55 8.42 8.25 1xg7A1 LYS 144 HA 0.05 0.08 0.32 -0.75 4.32 4.01 1xg7A1 LYS 144 HB2 0.02 -0.02 -0.13 -0.04 1.87 1.70 1xg7A1 LYS 144 HB3 0.03 0.09 0.01 -0.04 1.79 1.88 1xg7A1 LYS 144 HG2 -0.01 0.05 0.09 -0.04 1.46 1.56 1xg7A1 LYS 144 HG3 -0.02 -0.07 0.05 -0.04 1.46 1.38 1xg7A1 LYS 144 HD2 -0.02 0.05 -0.09 -0.04 1.69 1.59 1xg7A1 LYS 144 HD3 0.02 -0.04 -0.09 -0.04 1.68 1.53 1xg7A1 LYS 144 HE2 0.02 -0.05 0.06 -0.04 2.99 2.97 1xg7A1 LYS 144 HE3 0.00 0.02 0.07 -0.04 2.99 3.04 1xg7A1 THR 145 H 0.00 0.06 -0.15 -0.55 8.28 7.64 1xg7A1 THR 145 HA 0.16 0.14 0.35 -0.75 4.39 4.28 1xg7A1 THR 145 HB -0.05 -0.05 0.03 -0.04 4.32 4.21 1xg7A1 THR 145 HG23 0.10 0.11 -0.11 -0.04 1.22 1.28 1xg7A1 ILE 146 H 0.04 0.03 -0.31 -0.55 8.25 7.46 1xg7A1 ILE 146 HA 0.05 0.09 0.37 -0.75 4.18 3.93 1xg7A1 ILE 146 HB 0.11 0.08 -0.01 -0.04 1.89 2.04 1xg7A1 ILE 146 HG12 0.00 -0.12 -0.06 -0.04 1.49 1.27 1xg7A1 ILE 146 HG13 -0.00 0.07 -0.13 -0.04 1.21 1.11 1xg7A1 ILE 146 HG23 0.19 0.00 -0.19 -0.04 0.93 0.89 1xg7A1 ILE 146 HD13 -0.03 0.00 -0.20 -0.04 0.88 0.61 1xg7A1 VAL 147 H 0.08 0.50 -0.22 -0.55 8.24 8.05 1xg7A1 VAL 147 HA -0.05 0.03 0.39 -0.75 4.13 3.75 1xg7A1 VAL 147 HB -0.13 0.06 -0.07 -0.04 2.12 1.93 1xg7A1 VAL 147 HG13 -0.02 -0.01 -0.06 -0.04 0.97 0.84 1xg7A1 VAL 147 HG23 0.03 0.07 -0.22 -0.04 0.95 0.78 1xg7A1 PHE 148 H 0.16 0.54 -0.14 -0.55 8.34 8.34 1xg7A1 PHE 148 HA -0.15 -0.01 0.54 -0.75 4.62 4.25 1xg7A1 PHE 148 HB2 -0.04 -0.02 0.11 -0.04 3.15 3.16 1xg7A1 PHE 148 HB3 0.00 0.14 0.10 -0.04 3.06 3.26 1xg7A1 PHE 148 HD2 -0.03 0.08 0.01 -0.04 7.28 7.30 1xg7A1 PHE 148 HE2 0.11 -0.01 -0.01 -0.04 7.38 7.44 1xg7A1 PHE 148 HZ -0.12 -0.05 -0.03 -0.04 7.32 7.08 1xg7A1 THR 149 H 0.04 0.43 -0.42 -0.55 8.28 7.79 1xg7A1 THR 149 HA -0.17 -0.00 0.39 -0.75 4.39 3.85 1xg7A1 THR 149 HB 0.00 0.13 0.14 -0.04 4.32 4.55 1xg7A1 THR 149 HG23 -0.01 -0.01 -0.03 -0.04 1.22 1.12 1xg7A1 VAL 150 H -0.05 0.44 -0.14 -0.55 8.24 7.94 1xg7A1 VAL 150 HA 0.04 0.01 0.36 -0.75 4.13 3.78 1xg7A1 VAL 150 HB -0.16 0.13 0.12 -0.04 2.12 2.17 1xg7A1 VAL 150 HG13 0.04 -0.02 -0.09 -0.04 0.97 0.86 1xg7A1 VAL 150 HG23 0.01 0.05 0.02 -0.04 0.95 0.99 1xg7A1 LYS 151 H -0.26 0.60 -0.11 -0.55 8.42 8.09 1xg7A1 LYS 151 HA -0.52 -0.01 0.43 -0.75 4.32 3.47 1xg7A1 LYS 151 HB2 -0.43 0.07 0.14 -0.04 1.87 1.62 1xg7A1 LYS 151 HB3 -0.48 0.09 0.14 -0.04 1.79 1.50 1xg7A1 LYS 151 HG2 -0.65 -0.05 -0.12 -0.04 1.46 0.61 1xg7A1 LYS 151 HG3 -0.73 -0.02 0.02 -0.04 1.46 0.69 1xg7A1 LYS 151 HD2 -0.20 -0.00 0.02 -0.04 1.69 1.47 1xg7A1 LYS 151 HD3 -0.26 -0.02 -0.03 -0.04 1.68 1.33 1xg7A1 LYS 151 HE2 0.00 -0.04 -0.06 -0.04 2.99 2.85 1xg7A1 LYS 151 HE3 -0.08 -0.06 -0.05 -0.04 2.99 2.76 1xg7A1 MET 152 H -0.54 0.69 -0.12 -0.55 8.47 7.96 1xg7A1 MET 152 HA -0.65 -0.02 0.42 -0.75 4.52 3.52 1xg7A1 MET 152 HB2 -0.45 0.12 0.07 -0.04 2.15 1.85 1xg7A1 MET 152 HB3 -0.47 -0.05 -0.03 -0.04 2.03 1.44 1xg7A1 MET 152 HG2 -1.70 0.17 0.04 -0.04 2.63 1.10 1xg7A1 MET 152 HG3 -1.13 -0.02 -0.02 -0.04 2.56 1.34 1xg7A1 MET 152 HE3 -1.37 -0.00 -0.08 -0.04 2.10 0.60 1xg7A1 PHE 153 H -0.00 0.70 -0.15 -0.55 8.34 8.34 1xg7A1 PHE 153 HA -0.11 -0.03 0.47 -0.75 4.62 4.20 1xg7A1 PHE 153 HB2 -0.05 -0.01 0.06 -0.04 3.15 3.12 1xg7A1 PHE 153 HB3 -0.02 0.15 0.16 -0.04 3.06 3.32 1xg7A1 PHE 153 HD2 0.06 0.05 -0.10 -0.04 7.28 7.25 1xg7A1 PHE 153 HE2 0.22 0.00 -0.23 -0.04 7.38 7.34 1xg7A1 PHE 153 HZ 0.31 0.17 -0.05 -0.04 7.32 7.70 1xg7A1 GLY 154 H 0.17 0.57 -0.22 -0.55 8.43 8.41 1xg7A1 GLY 154 HA2 -0.13 0.02 0.48 -0.51 4.01 3.86 1xg7A1 GLY 154 HA3 0.27 0.07 0.30 -0.51 4.01 4.14 1xg7A1 TYR 155 H 0.13 0.45 -0.07 -0.55 8.29 8.25 1xg7A1 TYR 155 HA 0.20 0.04 0.58 -0.75 4.56 4.62 1xg7A1 TYR 155 HB2 -0.12 0.17 0.18 -0.04 3.06 3.25 1xg7A1 TYR 155 HB3 -0.06 -0.03 -0.07 -0.04 2.98 2.79 1xg7A1 TYR 155 HD2 0.08 -0.02 -0.10 -0.04 7.15 7.07 1xg7A1 TYR 155 HE2 0.11 -0.09 -0.04 -0.04 6.85 6.78 1xg7A1 ALA 156 H -0.13 0.58 -0.09 -0.55 8.40 8.22 1xg7A1 ALA 156 HA -0.01 0.04 0.39 -0.75 4.34 4.01 1xg7A1 ALA 156 HB3 -0.48 0.01 0.07 -0.04 1.41 0.98 1xg7A1 SER 157 H -0.53 0.55 -0.22 -0.55 8.46 7.71 1xg7A1 SER 157 HA -0.65 -0.03 0.39 -0.75 4.49 3.45 1xg7A1 SER 157 HB2 -1.27 0.10 0.15 -0.04 3.95 2.89 1xg7A1 SER 157 HB3 -1.04 -0.04 -0.02 -0.04 3.93 2.79 1xg7A1 ARG 158 H -0.35 0.50 -0.14 -0.55 8.46 7.93 1xg7A1 ARG 158 HA 0.03 0.23 0.51 -0.75 4.34 4.35 1xg7A1 ARG 158 HB2 0.26 0.01 0.11 -0.04 1.90 2.24 1xg7A1 ARG 158 HB3 0.13 0.11 0.21 -0.04 1.80 2.21 1xg7A1 ARG 158 HG2 0.25 0.14 0.12 -0.04 1.67 2.13 1xg7A1 ARG 158 HG3 0.21 -0.02 -0.24 -0.04 1.67 1.58 1xg7A1 ARG 158 HD2 0.11 -0.02 -0.05 -0.04 3.22 3.21 1xg7A1 ARG 158 HD3 0.33 -0.07 -0.05 -0.04 3.22 3.38 1xg7A1 ILE 159 H -0.17 0.38 -0.36 -0.55 8.25 7.55 1xg7A1 ILE 159 HA -0.24 0.04 0.50 -0.75 4.18 3.72 1xg7A1 ILE 159 HB -0.31 0.12 0.12 -0.04 1.89 1.78 1xg7A1 ILE 159 HG12 -0.30 -0.04 -0.01 -0.04 1.49 1.10 1xg7A1 ILE 159 HG13 -0.26 0.08 0.03 -0.04 1.21 1.01 1xg7A1 ILE 159 HG23 -0.97 -0.01 -0.13 -0.04 0.93 -0.23 1xg7A1 ILE 159 HD13 -0.67 -0.02 -0.17 -0.04 0.88 -0.02 1xg7A1 ALA 160 H -0.43 0.58 0.03 -0.55 8.40 8.03 1xg7A1 ALA 160 HA -0.78 0.05 0.36 -0.75 4.34 3.22 1xg7A1 ALA 160 HB3 -0.44 -0.04 0.07 -0.04 1.41 0.95 1xg7A1 PHE 161 H -0.27 0.78 -0.07 -0.55 8.34 8.24 1xg7A1 PHE 161 HA 0.01 0.10 0.72 -0.75 4.62 4.70 1xg7A1 PHE 161 HB2 0.04 0.16 0.02 -0.04 3.15 3.33 1xg7A1 PHE 161 HB3 0.10 -0.06 0.10 -0.04 3.06 3.16 1xg7A1 PHE 161 HD2 -0.08 0.06 -0.05 -0.04 7.28 7.17 1xg7A1 PHE 161 HE2 0.02 -0.02 -0.15 -0.04 7.38 7.18 1xg7A1 PHE 161 HZ 0.09 -0.07 -0.09 -0.04 7.32 7.22 1xg7A1 SER 162 H -0.05 0.25 -0.51 -0.55 8.46 7.61 1xg7A1 SER 162 HA 0.02 0.12 0.32 -0.75 4.49 4.20 1xg7A1 SER 162 HB2 0.07 0.03 -0.07 -0.04 3.95 3.95 1xg7A1 SER 162 HB3 0.04 -0.08 0.14 -0.04 3.93 3.99 1xg7A1 ARG 163 H 0.16 0.39 -0.02 -0.55 8.46 8.44 1xg7A1 ARG 163 HA 0.13 -0.00 0.37 -0.75 4.34 4.08 1xg7A1 ARG 163 HB2 0.09 -0.05 -0.01 -0.04 1.90 1.89 1xg7A1 ARG 163 HB3 0.10 0.16 0.15 -0.04 1.80 2.16 1xg7A1 ARG 163 HG2 0.22 0.34 -0.43 -0.04 1.67 1.76 1xg7A1 ARG 163 HG3 0.28 -0.10 -0.30 -0.04 1.67 1.51 1xg7A1 ARG 163 HD2 0.06 0.02 -0.07 -0.04 3.22 3.19 1xg7A1 ARG 163 HD3 0.06 -0.06 -0.10 -0.04 3.22 3.08 1xg7A1 PHE 164 H 0.22 0.17 0.11 -0.55 8.34 8.28 1xg7A1 PHE 164 HA 0.15 0.13 0.77 -0.75 4.62 4.92 1xg7A1 PHE 164 HB2 0.02 0.02 0.00 -0.04 3.15 3.15 1xg7A1 PHE 164 HB3 -0.00 -0.02 0.13 -0.04 3.06 3.12 1xg7A1 PHE 164 HD2 -0.01 0.02 -0.09 -0.04 7.28 7.16 1xg7A1 PHE 164 HE2 -0.01 -0.02 -0.10 -0.04 7.38 7.20 1xg7A1 PHE 164 HZ -0.25 -0.07 -0.08 -0.04 7.32 6.88 1xg7A1 ILE 165 H -0.33 0.26 0.10 -0.55 8.25 7.72 1xg7A1 ILE 165 HA -0.46 0.18 0.74 -0.75 4.18 3.88 1xg7A1 ILE 165 HB -1.28 -0.02 0.04 -0.04 1.89 0.60 1xg7A1 ILE 165 HG12 -0.33 0.02 -0.03 -0.04 1.49 1.11 1xg7A1 ILE 165 HG13 -0.49 -0.07 -0.45 -0.04 1.21 0.15 1xg7A1 ILE 165 HG23 -0.36 0.06 -0.09 -0.04 0.93 0.50 1xg7A1 ILE 165 HD13 -0.63 -0.01 -0.19 -0.04 0.88 0.01 1xg7A1 PRO 166 HA -0.29 -0.01 0.37 -0.51 4.44 4.00 1xg7A1 PRO 166 HB2 0.06 0.14 0.00 -0.04 2.28 2.44 1xg7A1 PRO 166 HB3 0.06 -0.04 0.09 -0.04 2.02 2.09 1xg7A1 PRO 166 HG2 -0.07 0.03 0.05 -0.04 2.03 1.99 1xg7A1 PRO 166 HG3 -0.02 0.02 0.07 -0.04 2.03 2.06 1xg7A1 PRO 166 HD2 -0.24 0.12 0.18 -0.04 3.68 3.69 1xg7A1 PRO 166 HD3 -0.27 0.15 0.07 -0.04 3.65 3.56 1xg7A1 TYR 167 H -0.00 0.02 0.13 -0.55 8.29 7.88 1xg7A1 TYR 167 HA -0.06 0.14 0.56 -0.75 4.56 4.44 1xg7A1 TYR 167 HB2 -0.30 -0.13 -0.02 -0.04 3.06 2.57 1xg7A1 TYR 167 HB3 -0.18 0.07 -0.00 -0.04 2.98 2.83 1xg7A1 TYR 167 HD2 -0.80 -0.04 -0.08 -0.04 7.15 6.19 1xg7A1 TYR 167 HE2 -0.03 0.03 -0.03 -0.04 6.85 6.79 1xg7A1 PRO 168 HA 0.02 0.12 0.49 -0.51 4.44 4.55 1xg7A1 PRO 168 HB2 -0.10 -0.10 -0.02 -0.04 2.28 2.03 1xg7A1 PRO 168 HB3 0.01 0.04 0.09 -0.04 2.02 2.12 1xg7A1 PRO 168 HG2 0.01 -0.01 -0.04 -0.04 2.03 1.95 1xg7A1 PRO 168 HG3 0.04 0.06 0.08 -0.04 2.03 2.17 1xg7A1 PRO 168 HD2 0.01 0.08 0.15 -0.04 3.68 3.88 1xg7A1 PRO 168 HD3 0.11 0.23 0.22 -0.04 3.65 4.16 1xg7A1 MET 169 H 0.02 0.19 0.16 -0.55 8.47 8.29 1xg7A1 MET 169 HA 0.02 0.04 0.39 -0.75 4.52 4.21 1xg7A1 MET 169 HB2 0.03 0.07 0.08 -0.04 2.15 2.29 1xg7A1 MET 169 HB3 0.02 -0.04 0.06 -0.04 2.03 2.03 1xg7A1 MET 169 HG2 0.02 0.03 -0.08 -0.04 2.63 2.56 1xg7A1 MET 169 HG3 0.01 0.00 -0.21 -0.04 2.56 2.32 1xg7A1 MET 169 HE3 0.04 0.03 -0.33 -0.04 2.10 1.80 1xg7A1 GLU 170 H -0.04 -0.01 -0.31 -0.55 8.60 7.69 1xg7A1 GLU 170 HA -0.02 0.09 0.19 -0.75 4.29 3.79 1xg7A1 GLU 170 HB2 0.00 -0.06 -0.00 -0.04 2.09 1.99 1xg7A1 GLU 170 HB3 0.13 0.03 -0.01 -0.04 1.99 2.09 1xg7A1 GLU 170 HG2 0.15 0.02 -0.01 -0.04 2.34 2.46 1xg7A1 GLU 170 HG3 0.08 0.04 -0.02 -0.04 2.34 2.40 1xg7A1 ILE 171 H -0.31 0.28 -0.44 -0.55 8.25 7.23 1xg7A1 ILE 171 HA -1.17 0.13 0.48 -0.75 4.18 2.87 1xg7A1 ILE 171 HB -0.42 0.00 0.06 -0.04 1.89 1.50 1xg7A1 ILE 171 HG12 -1.88 0.03 -0.08 -0.04 1.49 -0.47 1xg7A1 ILE 171 HG13 -0.54 -0.12 -0.05 -0.04 1.21 0.45 1xg7A1 ILE 171 HG23 -0.64 0.04 -0.08 -0.04 0.93 0.21 1xg7A1 ILE 171 HD13 -0.30 -0.01 -0.08 -0.04 0.88 0.45 1xg7A1 PRO 172 HA -0.04 0.08 0.39 -0.51 4.44 4.35 1xg7A1 PRO 172 HB2 0.04 0.09 0.00 -0.04 2.28 2.37 1xg7A1 PRO 172 HB3 0.04 -0.00 0.08 -0.04 2.02 2.10 1xg7A1 PRO 172 HG2 0.07 0.01 0.03 -0.04 2.03 2.10 1xg7A1 PRO 172 HG3 0.13 -0.05 -0.01 -0.04 2.03 2.06 1xg7A1 PRO 172 HD2 -0.31 0.07 0.19 -0.04 3.68 3.59 1xg7A1 PRO 172 HD3 -0.15 0.26 0.27 -0.04 3.65 3.99 1xg7A1 ILE 173 H 0.04 0.07 0.08 -0.55 8.25 7.88 1xg7A1 ILE 173 HA -0.06 0.13 0.26 -0.75 4.18 3.76 1xg7A1 ILE 173 HB 0.01 -0.01 0.04 -0.04 1.89 1.88 1xg7A1 ILE 173 HG12 -0.08 0.06 -0.04 -0.04 1.49 1.39 1xg7A1 ILE 173 HG13 -0.12 0.10 0.04 -0.04 1.21 1.19 1xg7A1 ILE 173 HG23 0.09 -0.03 -0.27 -0.04 0.93 0.69 1xg7A1 ILE 173 HD13 -0.55 -0.01 -0.07 -0.04 0.88 0.20 1xg7A1 PRO 174 HA 0.05 0.09 0.69 -0.51 4.44 4.76 1xg7A1 PRO 174 HB2 0.09 -0.06 0.09 -0.04 2.28 2.36 1xg7A1 PRO 174 HB3 0.08 0.12 0.08 -0.04 2.02 2.26 1xg7A1 PRO 174 HG2 0.08 0.02 0.05 -0.04 2.03 2.15 1xg7A1 PRO 174 HG3 0.02 0.08 -0.12 -0.04 2.03 1.97 1xg7A1 PRO 174 HD2 0.04 0.05 0.18 -0.04 3.68 3.90 1xg7A1 PRO 174 HD3 -0.05 0.17 0.12 -0.04 3.65 3.85 1xg7A1 GLU 175 H 0.06 0.22 0.06 -0.55 8.60 8.39 1xg7A1 GLU 175 HA 0.08 0.11 0.34 -0.75 4.29 4.06 1xg7A1 GLU 175 HB2 0.08 0.06 -0.01 -0.04 2.09 2.18 1xg7A1 GLU 175 HB3 0.06 -0.00 0.23 -0.04 1.99 2.24 1xg7A1 GLU 175 HG2 0.06 0.02 -0.05 -0.04 2.34 2.33 1xg7A1 GLU 175 HG3 0.10 0.02 -0.07 -0.04 2.34 2.35 1xg7A1 ASP 176 H 0.13 0.32 0.15 -0.55 8.40 8.45 1xg7A1 ASP 176 HA 0.06 0.22 0.88 -0.75 4.63 5.03 1xg7A1 ASP 176 HB2 0.07 -0.02 0.19 -0.04 2.71 2.91 1xg7A1 ASP 176 HB3 0.06 0.08 0.01 -0.04 2.70 2.81 1xg7A1 LEU 177 H 0.07 0.18 0.18 -0.55 8.37 8.26 1xg7A1 LEU 177 HA 0.04 0.11 0.17 -0.75 4.35 3.92 1xg7A1 LEU 177 HB2 0.06 -0.03 0.18 -0.04 1.64 1.82 1xg7A1 LEU 177 HB3 0.04 0.08 0.03 -0.04 1.64 1.75 1xg7A1 LEU 177 HG 0.04 -0.03 0.11 -0.04 1.64 1.71 1xg7A1 LEU 177 HD13 0.03 0.02 0.04 -0.04 0.93 0.98 1xg7A1 LEU 177 HD23 0.02 0.02 0.03 -0.04 0.89 0.92 1xg7A1 ARG 178 H 0.13 0.06 -0.14 -0.55 8.46 7.95 1xg7A1 ARG 178 HA -0.01 0.14 0.47 -0.75 4.34 4.19 1xg7A1 ARG 178 HB2 0.02 -0.04 0.05 -0.04 1.90 1.89 1xg7A1 ARG 178 HB3 -0.16 0.12 0.04 -0.04 1.80 1.75 1xg7A1 ARG 178 HG2 0.07 0.03 0.02 -0.04 1.67 1.75 1xg7A1 ARG 178 HG3 0.20 -0.09 0.06 -0.04 1.67 1.80 1xg7A1 ARG 178 HD2 0.17 -0.00 0.02 -0.04 3.22 3.37 1xg7A1 ARG 178 HD3 0.31 -0.01 0.01 -0.04 3.22 3.49 1xg7A1 ILE 179 H 0.02 0.11 -0.15 -0.55 8.25 7.69 1xg7A1 ILE 179 HA -0.16 0.13 0.56 -0.75 4.18 3.96 1xg7A1 ILE 179 HB 0.05 -0.01 0.18 -0.04 1.89 2.07 1xg7A1 ILE 179 HG12 -0.01 -0.12 0.05 -0.04 1.49 1.36 1xg7A1 ILE 179 HG13 0.07 0.16 0.09 -0.04 1.21 1.49 1xg7A1 ILE 179 HG23 -0.00 0.01 -0.17 -0.04 0.93 0.73 1xg7A1 ILE 179 HD13 -0.57 0.02 -0.02 -0.04 0.88 0.26 1xg7A1 LYS 180 H 0.04 0.44 -0.14 -0.55 8.42 8.21 1xg7A1 LYS 180 HA 0.06 0.03 0.53 -0.75 4.32 4.18 1xg7A1 LYS 180 HB2 0.03 0.11 0.10 -0.04 1.87 2.07 1xg7A1 LYS 180 HB3 0.02 0.03 -0.04 -0.04 1.79 1.76 1xg7A1 LYS 180 HG2 0.05 -0.03 0.00 -0.04 1.46 1.44 1xg7A1 LYS 180 HG3 0.05 0.01 -0.16 -0.04 1.46 1.31 1xg7A1 LYS 180 HD2 0.03 -0.04 -0.08 -0.04 1.69 1.55 1xg7A1 LYS 180 HD3 0.02 0.03 -0.02 -0.04 1.68 1.67 1xg7A1 LYS 180 HE2 0.03 -0.01 -0.00 -0.04 2.99 2.96 1xg7A1 LYS 180 HE3 0.04 0.03 -0.05 -0.04 2.99 2.96 1xg7A1 SER 181 H 0.00 0.46 -0.11 -0.55 8.46 8.27 1xg7A1 SER 181 HA -0.00 0.04 0.42 -0.75 4.49 4.19 1xg7A1 SER 181 HB2 0.00 -0.01 0.13 -0.04 3.95 4.03 1xg7A1 SER 181 HB3 -0.02 0.06 0.20 -0.04 3.93 4.13 1xg7A1 VAL 182 H -0.04 0.56 -0.04 -0.55 8.24 8.18 1xg7A1 VAL 182 HA -0.01 0.10 0.49 -0.75 4.13 3.96 1xg7A1 VAL 182 HB -0.09 -0.00 0.12 -0.04 2.12 2.11 1xg7A1 VAL 182 HG13 -0.02 -0.01 0.05 -0.04 0.97 0.94 1xg7A1 VAL 182 HG23 0.01 0.02 -0.03 -0.04 0.95 0.91 1xg7A1 THR 183 H 0.07 0.42 -0.21 -0.55 8.28 8.01 1xg7A1 THR 183 HA 0.05 0.01 0.40 -0.75 4.39 4.10 1xg7A1 THR 183 HB 0.08 0.07 0.18 -0.04 4.32 4.61 1xg7A1 THR 183 HG23 -0.20 -0.03 -0.05 -0.04 1.22 0.89 1xg7A1 SER 184 H -0.02 0.48 -0.20 -0.55 8.46 8.17 1xg7A1 SER 184 HA -0.09 0.36 0.47 -0.75 4.49 4.47 1xg7A1 SER 184 HB2 -0.03 -0.09 0.10 -0.04 3.95 3.89 1xg7A1 SER 184 HB3 -0.02 0.06 0.15 -0.04 3.93 4.07 1xg7A1 LYS 185 H -0.04 0.36 -0.41 -0.55 8.42 7.78 1xg7A1 LYS 185 HA -0.04 -0.01 0.57 -0.75 4.32 4.09 1xg7A1 LYS 185 HB2 -0.02 0.26 0.14 -0.04 1.87 2.21 1xg7A1 LYS 185 HB3 -0.02 -0.06 0.08 -0.04 1.79 1.75 1xg7A1 LYS 185 HG2 -0.02 -0.09 0.05 -0.04 1.46 1.36 1xg7A1 LYS 185 HG3 -0.02 0.11 0.08 -0.04 1.46 1.59 1xg7A1 LYS 185 HD2 -0.01 0.07 0.06 -0.04 1.69 1.78 1xg7A1 LYS 185 HD3 -0.01 -0.01 0.07 -0.04 1.68 1.69 1xg7A1 LYS 185 HE2 -0.01 0.00 0.03 -0.04 2.99 2.97 1xg7A1 LYS 185 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.90 1xg7A1 LEU 186 H -0.13 0.44 -0.28 -0.55 8.37 7.85 1xg7A1 LEU 186 HA -0.10 0.10 0.81 -0.75 4.35 4.41 1xg7A1 LEU 186 HB2 -0.42 0.11 0.15 -0.04 1.64 1.44 1xg7A1 LEU 186 HB3 -0.27 -0.12 -0.01 -0.04 1.64 1.21 1xg7A1 LEU 186 HG -0.03 0.11 -0.05 -0.04 1.64 1.62 1xg7A1 LEU 186 HD13 0.05 -0.05 -0.02 -0.04 0.93 0.86 1xg7A1 LEU 186 HD23 0.01 0.02 0.00 -0.04 0.89 0.88 1xg7A1 THR 187 H -0.26 0.62 0.23 -0.55 8.28 8.32 1xg7A1 THR 187 HA -0.14 0.10 0.72 -0.75 4.39 4.32 1xg7A1 THR 187 HB -0.41 0.15 -0.23 -0.04 4.32 3.80 1xg7A1 THR 187 HG23 -0.88 0.03 -0.15 -0.04 1.22 0.19 1xg7A1 GLN 188 H -0.04 0.11 0.17 -0.55 8.47 8.16 1xg7A1 GLN 188 HA -0.07 0.23 0.85 -0.75 4.36 4.62 1xg7A1 GLN 188 HB2 0.07 -0.01 0.10 -0.04 2.15 2.28 1xg7A1 GLN 188 HB3 0.05 -0.04 0.07 -0.04 2.02 2.06 1xg7A1 GLN 188 HG2 -0.01 0.04 -0.06 -0.04 2.40 2.33 1xg7A1 GLN 188 HG3 0.01 -0.03 0.02 -0.04 2.39 2.35 1xg7A1 GLN 188 HE21 -0.03 -0.05 0.03 -0.04 6.97 6.88 1xg7A1 GLN 188 HE22 -0.04 0.13 -0.10 -0.04 7.69 7.64 1xg7A1 GLU 189 H -0.31 0.01 -0.04 -0.55 8.60 7.71 1xg7A1 GLU 189 HA -0.66 0.01 0.50 -0.75 4.29 3.38 1xg7A1 GLU 189 HB2 -0.73 0.03 0.07 -0.04 2.09 1.42 1xg7A1 GLU 189 HB3 -0.28 0.02 -0.08 -0.04 1.99 1.60 1xg7A1 GLU 189 HG2 -0.13 0.06 -0.16 -0.04 2.34 2.07 1xg7A1 GLU 189 HG3 -0.40 -0.03 0.04 -0.04 2.34 1.91 1xg7A1 LYS 190 H -0.12 0.07 0.15 -0.55 8.42 7.97 1xg7A1 LYS 190 HA -0.01 0.20 0.47 -0.75 4.32 4.22 1xg7A1 LYS 190 HB2 0.01 0.10 0.17 -0.04 1.87 2.11 1xg7A1 LYS 190 HB3 0.02 -0.12 0.15 -0.04 1.79 1.79 1xg7A1 LYS 190 HG2 0.06 -0.28 -0.06 -0.04 1.46 1.13 1xg7A1 LYS 190 HG3 0.04 0.12 0.10 -0.04 1.46 1.67 1xg7A1 LYS 190 HD2 0.03 0.08 0.04 -0.04 1.69 1.80 1xg7A1 LYS 190 HD3 0.04 -0.01 0.03 -0.04 1.68 1.70 1xg7A1 LYS 190 HE2 0.04 0.04 0.01 -0.04 2.99 3.04 1xg7A1 LYS 190 HE3 0.05 -0.03 0.00 -0.04 2.99 2.98 1xg7A1 PRO 191 HA 0.20 0.11 0.36 -0.51 4.44 4.59 1xg7A1 PRO 191 HB2 0.21 -0.05 -0.04 -0.04 2.28 2.35 1xg7A1 PRO 191 HB3 0.39 0.09 -0.02 -0.04 2.02 2.44 1xg7A1 PRO 191 HG2 0.09 -0.02 0.03 -0.04 2.03 2.09 1xg7A1 PRO 191 HG3 0.09 0.18 0.08 -0.04 2.03 2.34 1xg7A1 PRO 191 HD2 0.06 0.01 0.20 -0.04 3.68 3.91 1xg7A1 PRO 191 HD3 0.01 0.32 0.20 -0.04 3.65 4.14 1xg7A1 THR 192 H 0.13 0.14 -0.17 -0.55 8.28 7.83 1xg7A1 THR 192 HA 0.18 0.04 0.41 -0.75 4.39 4.27 1xg7A1 THR 192 HB 0.09 0.04 0.02 -0.04 4.32 4.43 1xg7A1 THR 192 HG23 0.09 0.06 0.05 -0.04 1.22 1.37 1xg7A1 LYS 193 H 0.08 0.10 -0.26 -0.55 8.42 7.78 1xg7A1 LYS 193 HA 0.05 0.06 0.48 -0.75 4.32 4.15 1xg7A1 LYS 193 HB2 0.02 0.10 0.08 -0.04 1.87 2.03 1xg7A1 LYS 193 HB3 0.02 0.03 -0.05 -0.04 1.79 1.75 1xg7A1 PHE 194 H 0.11 0.61 -0.14 -0.55 8.34 8.37 1xg7A1 PHE 194 HA -0.19 0.04 0.35 -0.75 4.62 4.06 1xg7A1 PHE 194 HB2 -0.26 0.02 -0.12 -0.04 3.15 2.74 1xg7A1 PHE 194 HB3 -0.36 0.02 0.04 -0.04 3.06 2.71 1xg7A1 PHE 194 HD2 -1.17 -0.01 -0.11 -0.04 7.28 5.95 1xg7A1 PHE 194 HE2 -0.88 0.09 -0.07 -0.04 7.38 6.48 1xg7A1 PHE 194 HZ -0.38 -0.01 -0.10 -0.04 7.32 6.79 1xg7A1 TRP 195 H 0.17 0.69 -0.08 -0.55 7.97 8.20 1xg7A1 TRP 195 HA -0.23 0.03 0.48 -0.75 4.62 4.14 1xg7A1 TRP 195 HB2 0.03 0.08 0.09 -0.04 3.23 3.39 1xg7A1 TRP 195 HB3 -0.01 -0.05 0.04 -0.04 3.23 3.17 1xg7A1 TRP 195 HD1 0.13 0.03 -0.03 -0.04 7.22 7.31 1xg7A1 TRP 195 HE1 0.11 0.04 -0.02 -0.04 10.20 10.29 1xg7A1 TRP 195 HE3 -0.06 -0.07 -0.01 -0.04 7.59 7.41 1xg7A1 TRP 195 HZ2 0.12 0.07 -0.08 -0.04 7.44 7.51 1xg7A1 TRP 195 HZ3 0.01 -0.01 -0.08 -0.04 7.13 7.00 1xg7A1 TRP 195 HH2 0.10 0.05 -0.08 -0.04 7.19 7.22 1xg7A1 MET 196 H 0.10 0.47 -0.21 -0.55 8.47 8.28 1xg7A1 MET 196 HA 0.06 0.06 0.61 -0.75 4.52 4.50 1xg7A1 MET 196 HB2 0.06 0.09 0.15 -0.04 2.15 2.41 1xg7A1 MET 196 HB3 0.03 0.07 0.12 -0.04 2.03 2.20 1xg7A1 MET 196 HG2 0.04 -0.02 -0.04 -0.04 2.63 2.56 1xg7A1 MET 196 HG3 0.02 -0.04 -0.20 -0.04 2.56 2.30 1xg7A1 MET 196 HE3 -0.01 0.00 -0.21 -0.04 2.10 1.84 1xg7A1 LYS 197 H -0.08 0.50 -0.18 -0.55 8.42 8.09 1xg7A1 LYS 197 HA -0.05 0.03 0.50 -0.75 4.32 4.04 1xg7A1 LYS 197 HB2 -0.08 0.04 0.11 -0.04 1.87 1.90 1xg7A1 LYS 197 HB3 -0.23 0.16 0.14 -0.04 1.79 1.82 1xg7A1 LYS 197 HG2 -0.14 -0.05 -0.15 -0.04 1.46 1.08 1xg7A1 LYS 197 HG3 -0.07 -0.03 0.04 -0.04 1.46 1.35 1xg7A1 ILE 198 H -0.30 0.46 -0.08 -0.55 8.25 7.78 1xg7A1 ILE 198 HA -0.15 -0.02 0.44 -0.75 4.18 3.70 1xg7A1 ILE 198 HB 0.05 0.09 0.10 -0.04 1.89 2.10 1xg7A1 ILE 198 HG12 -1.17 0.30 0.05 -0.04 1.49 0.63 1xg7A1 ILE 198 HG13 -1.00 -0.01 -0.06 -0.04 1.21 0.11 1xg7A1 ILE 198 HG23 0.15 -0.01 -0.21 -0.04 0.93 0.81 1xg7A1 ILE 198 HD13 -0.48 -0.04 -0.01 -0.04 0.88 0.31 1xg7A1 GLY 199 H 0.05 0.57 -0.25 -0.55 8.43 8.25 1xg7A1 GLY 199 HA2 0.07 0.07 0.39 -0.51 4.01 4.02 1xg7A1 GLY 199 HA3 0.06 0.07 0.30 -0.51 4.01 3.94 1xg7A1 GLN 200 H 0.00 0.70 -0.07 -0.55 8.47 8.56 1xg7A1 GLN 200 HA 0.01 -0.02 0.35 -0.75 4.36 3.95 1xg7A1 GLN 200 HB2 -0.01 0.06 0.19 -0.04 2.15 2.34 1xg7A1 GLN 200 HB3 -0.00 -0.04 -0.01 -0.04 2.02 1.92 1xg7A1 GLN 200 HG2 0.01 -0.07 -0.00 -0.04 2.40 2.30 1xg7A1 GLN 200 HG3 0.01 0.10 0.05 -0.04 2.39 2.50 1xg7A1 GLN 200 HE21 0.02 -0.04 -0.07 -0.04 6.97 6.84 1xg7A1 GLN 200 HE22 0.02 -0.02 -0.08 -0.04 7.69 7.57 1xg7A1 GLU 201 H -0.02 0.56 -0.22 -0.55 8.60 8.37 1xg7A1 GLU 201 HA -0.01 0.05 0.42 -0.75 4.29 3.99 1xg7A1 GLU 201 HB2 -0.05 0.07 0.13 -0.04 2.09 2.20 1xg7A1 GLU 201 HB3 -0.03 -0.07 0.02 -0.04 1.99 1.87 1xg7A1 GLU 201 HG2 -0.03 -0.04 0.01 -0.04 2.34 2.24 1xg7A1 GLU 201 HG3 -0.04 0.06 0.05 -0.04 2.34 2.36 1xg7A1 SER 202 H 0.01 0.50 -0.15 -0.55 8.46 8.27 1xg7A1 SER 202 HA 0.01 0.09 0.60 -0.75 4.49 4.43 1xg7A1 SER 202 HB2 0.03 -0.08 0.01 -0.04 3.95 3.87 1xg7A1 SER 202 HB3 0.03 -0.04 0.15 -0.04 3.93 4.02 1xg7A1 GLY 203 H 0.02 0.36 -0.36 -0.55 8.43 7.91 1xg7A1 GLY 203 HA2 0.03 0.02 0.26 -0.51 4.01 3.80 1xg7A1 GLY 203 HA3 0.02 0.05 0.60 -0.51 4.01 4.17 1xg7A1 VAL 204 H 0.05 0.18 -0.21 -0.55 8.24 7.71 1xg7A1 VAL 204 HA 0.08 0.15 0.83 -0.75 4.13 4.43 1xg7A1 VAL 204 HB 0.07 -0.03 -0.06 -0.04 2.12 2.06 1xg7A1 VAL 204 HG13 0.10 -0.01 -0.24 -0.04 0.97 0.78 1xg7A1 VAL 204 HG23 0.03 0.04 -0.28 -0.04 0.95 0.70 1xg7A1 PRO 205 HA 0.06 0.17 0.39 -0.51 4.44 4.55 1xg7A1 PRO 205 HB2 0.23 -0.23 -0.05 -0.04 2.28 2.19 1xg7A1 PRO 205 HB3 0.07 0.21 -0.33 -0.04 2.02 1.93 1xg7A1 PRO 205 HG2 0.23 0.25 0.01 -0.04 2.03 2.48 1xg7A1 PRO 205 HG3 0.10 -0.03 -0.07 -0.04 2.03 1.99 1xg7A1 PRO 205 HD2 0.27 -0.02 0.18 -0.04 3.68 4.07 1xg7A1 PRO 205 HD3 0.11 0.38 0.12 -0.04 3.65 4.22 1xg7A1 PRO 206 HA 0.03 0.04 0.40 -0.51 4.44 4.40 1xg7A1 PRO 206 HB2 -0.05 0.17 -0.11 -0.04 2.28 2.25 1xg7A1 PRO 206 HB3 0.05 -0.11 0.00 -0.04 2.02 1.92 1xg7A1 PRO 206 HG2 -0.00 0.11 -0.01 -0.04 2.03 2.08 1xg7A1 PRO 206 HG3 0.06 0.06 0.04 -0.04 2.03 2.16 1xg7A1 PRO 206 HD2 -0.03 0.32 0.19 -0.04 3.68 4.12 1xg7A1 PRO 206 HD3 0.03 0.09 0.23 -0.04 3.65 3.95 1xg7A1 LEU 207 H -0.13 0.27 -0.32 -0.55 8.37 7.64 1xg7A1 LEU 207 HA -0.20 0.07 0.56 -0.75 4.35 4.02 1xg7A1 LEU 207 HB2 -0.52 -0.01 -0.03 -0.04 1.64 1.04 1xg7A1 LEU 207 HB3 -1.01 -0.01 -0.03 -0.04 1.64 0.55 1xg7A1 LEU 207 HG -0.33 0.16 -0.15 -0.04 1.64 1.28 1xg7A1 LEU 207 HD13 -0.62 -0.02 -0.05 -0.04 0.93 0.20 1xg7A1 LEU 207 HD23 -0.26 -0.02 -0.09 -0.04 0.89 0.48 1xg7A1 HIS 208 H 0.07 0.30 -0.28 -0.55 8.41 7.95 1xg7A1 HIS 208 HA 0.19 0.09 0.62 -0.75 4.63 4.78 1xg7A1 HIS 208 HB2 0.13 0.16 0.02 -0.04 3.26 3.53 1xg7A1 HIS 208 HB3 0.13 -0.02 -0.02 -0.04 3.20 3.24 1xg7A1 HIS 208 HD2 0.18 0.11 0.05 -0.04 6.97 7.27 1xg7A1 HIS 208 HE1 0.20 0.09 -0.05 -0.04 7.75 7.94 1xg7A1 ILE 209 H 0.08 0.47 -0.16 -0.55 8.25 8.09 1xg7A1 ILE 209 HA 0.01 0.05 0.44 -0.75 4.18 3.93 1xg7A1 ILE 209 HB -0.07 0.09 0.11 -0.04 1.89 1.98 1xg7A1 ILE 209 HG12 0.07 -0.04 -0.09 -0.04 1.49 1.39 1xg7A1 ILE 209 HG13 0.08 0.13 -0.22 -0.04 1.21 1.16 1xg7A1 ILE 209 HG23 -0.28 -0.01 -0.14 -0.04 0.93 0.45 1xg7A1 ILE 209 HD13 0.18 -0.01 -0.11 -0.04 0.88 0.90 1xg7A1 ASP 210 H -0.07 0.64 -0.14 -0.55 8.40 8.28 1xg7A1 ASP 210 HA -0.09 -0.01 0.47 -0.75 4.63 4.25 1xg7A1 ASP 210 HB2 -0.04 0.05 0.18 -0.04 2.71 2.86 1xg7A1 ASP 210 HB3 0.00 0.24 0.08 -0.04 2.70 2.98 1xg7A1 SER 211 H 0.10 0.28 -0.53 -0.55 8.46 7.76 1xg7A1 SER 211 HA 0.20 -0.04 0.34 -0.75 4.49 4.24 1xg7A1 SER 211 HB2 0.18 0.20 0.09 -0.04 3.95 4.39 1xg7A1 SER 211 HB3 0.17 -0.06 0.03 -0.04 3.93 4.04 1xg7A1 LEU 212 H 0.05 0.33 -0.29 -0.55 8.37 7.91 1xg7A1 LEU 212 HA 0.04 0.06 0.59 -0.75 4.35 4.28 1xg7A1 LEU 212 HB2 -0.02 0.12 0.08 -0.04 1.64 1.77 1xg7A1 LEU 212 HB3 0.01 -0.04 -0.00 -0.04 1.64 1.56 1xg7A1 LEU 212 HG 0.06 0.18 0.04 -0.04 1.64 1.88 1xg7A1 LEU 212 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.84 1xg7A1 LEU 212 HD23 0.03 -0.02 -0.14 -0.04 0.89 0.72 1xg7A1 ILE 213 H -0.05 0.35 -0.21 -0.55 8.25 7.79 1xg7A1 ILE 213 HA -0.12 0.11 0.30 -0.75 4.18 3.72 1xg7A1 ILE 213 HB -0.35 0.03 0.14 -0.04 1.89 1.66 1xg7A1 ILE 213 HG12 -0.25 0.02 -0.08 -0.04 1.49 1.14 1xg7A1 ILE 213 HG13 -0.30 0.13 -0.03 -0.04 1.21 0.97 1xg7A1 ILE 213 HG23 -0.42 -0.01 -0.13 -0.04 0.93 0.33 1xg7A1 ILE 213 HD13 -0.96 -0.03 -0.09 -0.04 0.88 -0.24 1xg7A1 TRP 214 H 0.16 0.42 -0.06 -0.55 7.97 7.93 1xg7A1 TRP 214 HA -0.01 -0.01 0.13 -0.75 4.62 3.98 1xg7A1 TRP 214 HB2 0.01 0.15 0.10 -0.04 3.23 3.45 1xg7A1 TRP 214 HB3 0.03 -0.09 -0.06 -0.04 3.23 3.07 1xg7A1 TRP 214 HD1 -0.05 0.23 0.05 -0.04 7.22 7.41 1xg7A1 TRP 214 HE1 -0.07 0.01 0.03 -0.04 10.20 10.14 1xg7A1 TRP 214 HE3 0.02 0.00 -0.03 -0.04 7.59 7.55 1xg7A1 TRP 214 HZ2 -0.05 -0.09 0.01 -0.04 7.44 7.27 1xg7A1 TRP 214 HZ3 0.02 0.03 -0.03 -0.04 7.13 7.11 1xg7A1 TRP 214 HH2 -0.01 -0.09 0.00 -0.04 7.19 7.05 1xg7A1 PRO 215 HA 0.15 -0.05 0.42 -0.51 4.44 4.45 1xg7A1 PRO 215 HB2 0.06 0.11 -0.12 -0.04 2.28 2.30 1xg7A1 PRO 215 HB3 0.08 -0.05 -0.01 -0.04 2.02 2.00 1xg7A1 PRO 215 HG2 0.08 0.12 0.01 -0.04 2.03 2.20 1xg7A1 PRO 215 HG3 0.12 -0.06 -0.02 -0.04 2.03 2.02 1xg7A1 PRO 215 HD2 0.11 0.18 -0.69 -0.04 3.68 3.24 1xg7A1 PRO 215 HD3 0.23 0.05 -0.01 -0.04 3.65 3.88 1xg7A1 LEU 216 H 0.03 0.42 -0.44 -0.55 8.37 7.83 1xg7A1 LEU 216 HA 0.02 0.02 0.33 -0.75 4.35 3.97 1xg7A1 LEU 216 HB2 -0.04 0.17 0.09 -0.04 1.64 1.81 1xg7A1 LEU 216 HB3 -0.01 -0.03 0.09 -0.04 1.64 1.66 1xg7A1 LEU 216 HG 0.00 0.20 0.08 -0.04 1.64 1.89 1xg7A1 LEU 216 HD13 -0.00 -0.04 -0.03 -0.04 0.93 0.82 1xg7A1 LEU 216 HD23 0.02 -0.05 -0.10 -0.04 0.89 0.71 1xg7A1 LEU 217 H -0.03 0.25 -0.25 -0.55 8.37 7.80 1xg7A1 LEU 217 HA -0.05 0.10 0.54 -0.75 4.35 4.18 1xg7A1 LEU 217 HB2 -0.14 0.06 0.04 -0.04 1.64 1.56 1xg7A1 LEU 217 HB3 -0.15 -0.11 0.06 -0.04 1.64 1.40 1xg7A1 LEU 217 HG -0.36 0.16 -0.12 -0.04 1.64 1.29 1xg7A1 LEU 217 HD13 -1.24 -0.06 -0.13 -0.04 0.93 -0.54 1xg7A1 LEU 217 HD23 -0.20 0.00 -0.03 -0.04 0.89 0.63 1xg7A1 GLY 218 H 0.09 0.29 -0.58 -0.55 8.43 7.69 1xg7A1 GLY 218 HA2 0.12 0.13 0.80 -0.51 4.01 4.55 1xg7A1 GLY 218 HA3 0.16 -0.15 0.31 -0.51 4.01 3.82 1xg7A1 ASN 219 H 0.10 0.06 0.02 -0.55 8.53 8.17 1xg7A1 ASN 219 HA 0.06 0.23 0.75 -0.75 4.76 5.04 1xg7A1 ASN 219 HB2 0.07 -0.01 -0.08 -0.04 2.88 2.82 1xg7A1 ASN 219 HB3 0.07 -0.06 0.18 -0.04 2.79 2.94 1xg7A1 ASN 219 HD21 0.04 0.00 0.01 -0.04 7.03 7.04 1xg7A1 ASN 219 HD22 0.05 -0.05 0.04 -0.04 7.74 7.74 1xg7A1 ALA 220 H 0.06 0.32 -0.04 -0.55 8.40 8.19 1xg7A1 ALA 220 HA 0.07 0.04 0.36 -0.75 4.34 4.06 1xg7A1 ALA 220 HB3 0.06 0.02 -0.03 -0.04 1.41 1.42 1xg7A1 ASP 221 H 0.04 0.21 0.18 -0.55 8.40 8.28 1xg7A1 ASP 221 HA 0.02 0.11 0.88 -0.75 4.63 4.89 1xg7A1 ASP 221 HB2 0.03 0.05 0.10 -0.04 2.71 2.85 1xg7A1 ASP 221 HB3 0.02 0.06 0.26 -0.04 2.70 3.00 1xg7A1 LEU 222 H 0.02 0.22 0.06 -0.55 8.37 8.12 1xg7A1 LEU 222 HA 0.01 0.19 0.60 -0.75 4.35 4.39 1xg7A1 LEU 222 HB2 0.01 0.02 0.02 -0.04 1.64 1.65 1xg7A1 LEU 222 HB3 0.01 -0.02 0.08 -0.04 1.64 1.67 1xg7A1 LEU 222 HG 0.02 0.05 -0.21 -0.04 1.64 1.47 1xg7A1 LEU 222 HD13 0.02 0.01 -0.07 -0.04 0.93 0.84 1xg7A1 LEU 222 HD23 0.02 0.01 -0.22 -0.04 0.89 0.66 1xg7A1 THR 223 H 0.00 0.04 -0.28 -0.55 8.28 7.50 1xg7A1 THR 223 HA -0.00 0.09 0.17 -0.75 4.39 3.90 1xg7A1 THR 223 HB -0.00 0.02 0.06 -0.04 4.32 4.36 1xg7A1 THR 223 HG23 0.00 -0.02 0.02 -0.04 1.22 1.18 1xg7A1 PRO 224 HA -0.02 0.05 0.46 -0.51 4.44 4.43 1xg7A1 PRO 224 HB2 -0.03 0.00 -0.15 -0.04 2.28 2.06 1xg7A1 PRO 224 HB3 -0.03 0.00 0.07 -0.04 2.02 2.02 1xg7A1 PRO 224 HG2 -0.03 0.29 0.04 -0.04 2.03 2.29 1xg7A1 PRO 224 HG3 -0.02 -0.03 0.01 -0.04 2.03 1.95 1xg7A1 PRO 224 HD2 -0.01 0.12 -0.31 -0.04 3.68 3.45 1xg7A1 PRO 224 HD3 -0.01 -0.09 -0.12 -0.04 3.65 3.39 1xg7A1 LEU 225 H -0.01 0.52 -0.45 -0.55 8.37 7.88 1xg7A1 LEU 225 HA -0.03 0.03 0.52 -0.75 4.35 4.12 1xg7A1 LEU 225 HB2 -0.01 0.11 0.03 -0.04 1.64 1.72 1xg7A1 LEU 225 HB3 -0.02 -0.11 0.01 -0.04 1.64 1.48 1xg7A1 LEU 225 HG -0.01 0.03 -0.09 -0.04 1.64 1.52 1xg7A1 LEU 225 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.78 1xg7A1 LEU 225 HD23 -0.04 0.00 -0.27 -0.04 0.89 0.55 1xg7A1 ASP 226 H -0.02 0.10 0.15 -0.55 8.40 8.09 1xg7A1 ASP 226 HA -0.01 0.14 0.57 -0.75 4.63 4.57 1xg7A1 ASP 226 HB2 -0.02 0.14 0.17 -0.04 2.71 2.96 1xg7A1 ASP 226 HB3 -0.02 -0.13 0.10 -0.04 2.70 2.61 1xg7A1 ILE 227 H -0.01 0.19 0.18 -0.55 8.25 8.06 1xg7A1 ILE 227 HA -0.00 0.14 0.32 -0.75 4.18 3.88 1xg7A1 ILE 227 HB -0.00 0.08 0.13 -0.04 1.89 2.06 1xg7A1 ILE 227 HG12 -0.00 0.03 -0.02 -0.04 1.49 1.46 1xg7A1 ILE 227 HG13 -0.00 -0.03 -0.20 -0.04 1.21 0.94 1xg7A1 ILE 227 HG23 -0.00 0.00 0.08 -0.04 0.93 0.96 1xg7A1 ILE 227 HD13 0.00 0.01 0.03 -0.04 0.88 0.88 1xg7A1 GLU 228 H -0.01 0.07 -0.19 -0.55 8.60 7.93 1xg7A1 GLU 228 HA -0.00 0.10 0.38 -0.75 4.29 4.02 1xg7A1 GLU 228 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.08 1xg7A1 GLU 228 HB3 -0.00 0.09 0.01 -0.04 1.99 2.04 1xg7A1 GLU 228 HG2 -0.00 -0.07 0.04 -0.04 2.34 2.26 1xg7A1 GLU 228 HG3 -0.01 0.06 0.02 -0.04 2.34 2.38 1xg7A1 LEU 229 H -0.01 0.08 -0.23 -0.55 8.37 7.66 1xg7A1 LEU 229 HA -0.01 0.09 0.44 -0.75 4.35 4.12 1xg7A1 LEU 229 HB2 -0.02 -0.02 0.09 -0.04 1.64 1.65 1xg7A1 LEU 229 HB3 -0.01 0.08 0.06 -0.04 1.64 1.72 1xg7A1 LEU 229 HG -0.01 0.02 -0.21 -0.04 1.64 1.40 1xg7A1 LEU 229 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 1xg7A1 LEU 229 HD23 -0.03 0.02 0.02 -0.04 0.89 0.85 1xg7A1 ARG 230 H -0.00 0.55 -0.21 -0.55 8.46 8.24 1xg7A1 ARG 230 HA 0.00 0.03 0.42 -0.75 4.34 4.04 1xg7A1 ARG 230 HB2 0.00 0.04 0.07 -0.04 1.90 1.97 1xg7A1 ARG 230 HB3 0.00 -0.05 -0.03 -0.04 1.80 1.68 1xg7A1 ARG 230 HG2 0.00 -0.06 -0.03 -0.04 1.67 1.54 1xg7A1 ARG 230 HG3 -0.00 0.09 -0.18 -0.04 1.67 1.54 1xg7A1 ARG 230 HD2 -0.00 0.29 -0.12 -0.04 3.22 3.35 1xg7A1 ARG 230 HD3 -0.00 -0.10 -0.13 -0.04 3.22 2.94 1xg7A1 ASN 231 H 0.00 0.60 -0.19 -0.55 8.53 8.40 1xg7A1 ASN 231 HA 0.01 0.00 0.36 -0.75 4.76 4.38 1xg7A1 ASN 231 HB2 0.00 0.13 0.19 -0.04 2.88 3.16 1xg7A1 ASN 231 HB3 0.01 -0.05 0.03 -0.04 2.79 2.73 1xg7A1 ASN 231 HD21 0.00 -0.05 -0.04 -0.04 7.03 6.90 1xg7A1 ASN 231 HD22 0.00 -0.03 -0.03 -0.04 7.74 7.64 1xg7A1 LYS 232 H 0.00 0.45 -0.19 -0.55 8.42 8.13 1xg7A1 LYS 232 HA 0.01 0.01 0.48 -0.75 4.32 4.06 1xg7A1 LYS 232 HB2 0.01 0.10 0.13 -0.04 1.87 2.07 1xg7A1 LYS 232 HB3 0.01 -0.01 -0.01 -0.04 1.79 1.75 1xg7A1 LYS 232 HG2 0.01 -0.05 0.01 -0.04 1.46 1.38 1xg7A1 LYS 232 HG3 0.00 0.08 0.05 -0.04 1.46 1.55 1xg7A1 LYS 232 HD2 0.00 -0.01 -0.12 -0.04 1.69 1.51 1xg7A1 LYS 232 HD3 0.01 -0.04 -0.29 -0.04 1.68 1.31 1xg7A1 LYS 232 HE2 0.00 -0.04 -0.05 -0.04 2.99 2.86 1xg7A1 LYS 232 HE3 -0.00 -0.05 -0.08 -0.04 2.99 2.82 1xg7A1 LEU 233 H 0.01 0.57 -0.12 -0.55 8.37 8.28 1xg7A1 LEU 233 HA 0.02 0.01 0.55 -0.75 4.35 4.18 1xg7A1 LEU 233 HB2 0.01 0.11 0.15 -0.04 1.64 1.87 1xg7A1 LEU 233 HB3 0.01 -0.03 0.01 -0.04 1.64 1.59 1xg7A1 LEU 233 HG 0.01 0.03 0.03 -0.04 1.64 1.67 1xg7A1 LEU 233 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.80 1xg7A1 LEU 233 HD23 0.02 -0.00 0.00 -0.04 0.89 0.87 1xg7A1 MET 234 H 0.01 0.53 -0.20 -0.55 8.47 8.26 1xg7A1 MET 234 HA 0.01 0.04 0.54 -0.75 4.52 4.36 1xg7A1 MET 234 HB2 0.01 0.15 0.13 -0.04 2.15 2.40 1xg7A1 MET 234 HB3 0.01 -0.06 0.02 -0.04 2.03 1.97 1xg7A1 MET 234 HG2 0.01 0.26 -0.01 -0.04 2.63 2.85 1xg7A1 MET 234 HG3 0.01 -0.06 -0.03 -0.04 2.56 2.44 1xg7A1 MET 234 HE3 0.01 0.02 -0.18 -0.04 2.10 1.92 1xg7A1 LYS 235 H 0.02 0.43 -0.19 -0.55 8.42 8.13 1xg7A1 LYS 235 HA 0.02 0.01 0.47 -0.75 4.32 4.07 1xg7A1 LYS 235 HB2 0.02 0.02 0.12 -0.04 1.87 1.99 1xg7A1 LYS 235 HB3 0.02 0.17 0.21 -0.04 1.79 2.15 1xg7A1 LYS 235 HG2 0.02 -0.02 -0.00 -0.04 1.46 1.42 1xg7A1 LYS 235 HG3 0.03 -0.01 -0.17 -0.04 1.46 1.27 1xg7A1 LYS 235 HD2 0.02 -0.05 0.07 -0.04 1.69 1.69 1xg7A1 LYS 235 HD3 0.02 0.01 0.03 -0.04 1.68 1.70 1xg7A1 LYS 235 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 1xg7A1 LYS 235 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 1xg7A1 LEU 236 H 0.03 0.55 -0.12 -0.55 8.37 8.27 1xg7A1 LEU 236 HA 0.06 -0.04 0.37 -0.75 4.35 3.99 1xg7A1 LEU 236 HB2 0.04 -0.01 0.05 -0.04 1.64 1.68 1xg7A1 LEU 236 HB3 0.03 0.12 0.15 -0.04 1.64 1.90 1xg7A1 LEU 236 HG 0.04 0.06 -0.25 -0.04 1.64 1.45 1xg7A1 LEU 236 HD13 0.11 -0.03 -0.03 -0.04 0.93 0.93 1xg7A1 LEU 236 HD23 0.02 -0.00 -0.11 -0.04 0.89 0.75 1xg7A1 THR 237 H 0.02 0.58 -0.20 -0.55 8.28 8.13 1xg7A1 THR 237 HA 0.02 0.09 0.39 -0.75 4.39 4.14 1xg7A1 THR 237 HB 0.02 0.11 0.17 -0.04 4.32 4.58 1xg7A1 THR 237 HG23 0.01 -0.01 -0.07 -0.04 1.22 1.12 1xg7A1 GLU 238 H 0.02 0.52 -0.21 -0.55 8.60 8.39 1xg7A1 GLU 238 HA 0.02 -0.01 0.43 -0.75 4.29 3.97 1xg7A1 GLU 238 HB2 0.02 -0.01 0.11 -0.04 2.09 2.16 1xg7A1 GLU 238 HB3 0.02 0.13 0.18 -0.04 1.99 2.28 1xg7A1 GLU 238 HG2 0.02 0.00 -0.27 -0.04 2.34 2.06 1xg7A1 GLU 238 HG3 0.01 -0.04 0.01 -0.04 2.34 2.28 1xg7A1 LEU 239 H 0.04 0.55 -0.12 -0.55 8.37 8.29 1xg7A1 LEU 239 HA 0.04 0.01 0.36 -0.75 4.35 4.00 1xg7A1 LEU 239 HB2 0.07 0.10 0.10 -0.04 1.64 1.86 1xg7A1 LEU 239 HB3 0.07 -0.11 -0.02 -0.04 1.64 1.53 1xg7A1 LEU 239 HG 0.04 0.19 0.02 -0.04 1.64 1.85 1xg7A1 LEU 239 HD13 0.05 -0.06 -0.23 -0.04 0.93 0.64 1xg7A1 LEU 239 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.82 1xg7A1 LEU 240 H 0.06 0.54 -0.25 -0.55 8.37 8.17 1xg7A1 LEU 240 HA 0.10 0.05 0.61 -0.75 4.35 4.35 1xg7A1 LEU 240 HB2 0.04 0.17 0.04 -0.04 1.64 1.85 1xg7A1 LEU 240 HB3 0.06 -0.07 0.03 -0.04 1.64 1.62 1xg7A1 LEU 240 HG 0.12 0.12 -0.03 -0.04 1.64 1.80 1xg7A1 LEU 240 HD13 0.01 -0.03 -0.10 -0.04 0.93 0.77 1xg7A1 LEU 240 HD23 0.34 -0.03 -0.08 -0.04 0.89 1.08 1xg7A1 GLY 241 H 0.03 0.42 -0.43 -0.55 8.43 7.91 1xg7A1 GLY 241 HA2 0.01 0.01 0.31 -0.51 4.01 3.83 1xg7A1 GLY 241 HA3 0.01 0.04 0.49 -0.51 4.01 4.04 1xg7A1 LEU 242 H 0.01 0.53 -0.11 -0.55 8.37 8.25 1xg7A1 LEU 242 HA 0.00 0.04 0.11 -0.75 4.35 3.75 1xg7A1 LEU 242 HB2 0.00 0.36 0.47 -0.04 1.64 2.43 1xg7A1 LEU 242 HB3 -0.00 -0.01 0.10 -0.04 1.64 1.68 1xg7A1 LEU 242 HG 0.01 -0.01 -0.02 -0.04 1.64 1.58 1xg7A1 LEU 242 HD13 0.01 0.01 -0.24 -0.04 0.93 0.67 1xg7A1 LEU 242 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.82