============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 61.568 47.765 5.988 -99.200 -91.000 TYR 7 0.840 47.315 53.008 2.053 -99.200 -91.000 PHE 8 1.000 47.004 44.642 -1.462 -99.200 -91.000 TYR 22 0.840 36.271 52.840 -1.362 -99.200 -91.000 TYR 27 0.840 47.867 44.054 3.946 -99.200 -91.000 PHE 33 1.000 49.344 51.141 7.655 -99.200 -91.000 PHE 36 1.000 35.808 53.884 4.846 -99.200 -91.000 TYR 45 0.840 41.744 54.526 6.241 -99.200 -91.000 TRP 51 1.040 52.791 49.082 14.243 -99.200 -91.000 TRP6 51 1.020 52.505 50.414 12.311 -99.200 -91.000 TYR 59 0.840 46.831 58.285 10.320 -99.200 -91.000 TRP 60 1.040 43.244 57.246 14.240 -99.200 -91.000 TRP6 60 1.020 43.848 55.375 12.924 -99.200 -91.000 PHE 74 1.000 38.201 53.835 -6.505 -99.200 -91.000 TYR 84 0.840 34.852 55.060 -20.112 -99.200 -91.000 TYR 85 0.840 35.105 47.790 -20.243 -99.200 -91.000 HIS 93 0.900 29.770 44.800 -14.343 -99.200 -91.000 TYR 113 0.840 53.854 49.369 -5.665 -99.200 -91.000 TYR 116 0.840 43.476 53.084 -10.873 -99.200 -91.000 TYR 118 0.840 34.559 47.117 -15.136 -99.200 -91.000 TYR 123 0.840 39.893 50.821 -17.134 -99.200 -91.000 TRP 133 1.040 48.577 57.598 -17.056 -99.200 -91.000 TRP6 133 1.020 48.207 57.067 -14.787 -99.200 -91.000 HIS 145 0.900 43.719 59.201 -25.634 -99.200 -91.000 TRP 147 1.040 42.904 59.227 -15.225 -99.200 -91.000 TRP6 147 1.020 43.532 57.186 -14.206 -99.200 -91.000 TYR 159 0.840 50.087 58.861 -2.244 -99.200 -91.000 TRP 167 1.040 52.047 60.547 5.883 -99.200 -91.000 TRP6 167 1.020 51.240 60.672 8.104 -99.200 -91.000 TYR 171 0.840 52.100 54.969 8.227 -99.200 -91.000 HIS 188 0.900 55.657 20.218 12.523 -99.200 -91.000 HIS 191 0.900 55.190 8.156 6.896 -99.200 -91.000 HIS 192 0.900 49.869 12.681 6.914 -99.200 -91.000 TRP 204 1.040 53.176 20.771 8.540 -99.200 -91.000 TRP6 204 1.020 51.276 22.127 8.168 -99.200 -91.000 PHE 208 1.000 57.317 31.581 7.868 -99.200 -91.000 TYR 209 0.840 56.772 40.371 10.011 -99.200 -91.000 TRP 217 1.040 60.177 18.098 1.112 -99.200 -91.000 TRP6 217 1.020 60.856 16.621 2.831 -99.200 -91.000 PHE 241 1.000 52.890 36.561 7.065 -99.200 -91.000 TRP 244 1.040 50.979 22.564 3.759 -99.200 -91.000 TRP6 244 1.020 50.926 21.163 1.853 -99.200 -91.000 TYR 256 0.840 68.564 6.326 1.290 -99.200 -91.000 TYR 257 0.840 63.226 11.228 -1.015 -99.200 -91.000 HIS 260 0.900 68.359 20.997 2.719 -99.200 -91.000 TYR 262 0.840 67.762 27.252 1.918 -99.200 -91.000 HIS 263 0.900 62.271 33.882 8.160 -99.200 -91.000 TRP 274 1.040 58.906 10.189 9.216 -99.200 -91.000 TRP6 274 1.020 59.123 7.855 8.902 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1g7pA1 GLY 1 HA2 -0.07 -0.12 0.18 -0.51 4.01 3.49 1g7pA1 GLY 1 HA3 -0.12 0.01 0.18 -0.51 4.01 3.56 1g7pA1 PRO 2 HA -0.10 0.16 0.60 -0.51 4.44 4.59 1g7pA1 PRO 2 HB2 -0.05 0.01 0.00 -0.04 2.28 2.21 1g7pA1 PRO 2 HB3 -0.05 -0.08 0.08 -0.04 2.02 1.93 1g7pA1 PRO 2 HG2 -0.11 0.02 0.00 -0.04 2.03 1.90 1g7pA1 PRO 2 HG3 -0.06 -0.01 0.03 -0.04 2.03 1.94 1g7pA1 PRO 2 HD2 -0.13 0.11 0.18 -0.04 3.68 3.81 1g7pA1 PRO 2 HD3 -0.08 0.05 0.15 -0.04 3.65 3.73 1g7pA1 HIS 3 H 0.03 0.58 0.37 -0.55 8.41 8.84 1g7pA1 HIS 3 HA 0.03 0.12 0.81 -0.75 4.63 4.83 1g7pA1 HIS 3 HB2 0.01 -0.03 -0.02 -0.04 3.26 3.19 1g7pA1 HIS 3 HB3 0.02 -0.06 0.04 -0.04 3.20 3.16 1g7pA1 HIS 3 HD2 -0.01 0.00 -0.16 -0.04 6.97 6.76 1g7pA1 HIS 3 HE1 0.03 0.06 -0.05 -0.04 7.75 7.74 1g7pA1 SER 4 H 0.17 0.14 0.27 -0.55 8.46 8.49 1g7pA1 SER 4 HA 0.11 0.28 1.18 -0.75 4.49 5.31 1g7pA1 SER 4 HB2 0.19 0.08 0.01 -0.04 3.95 4.19 1g7pA1 SER 4 HB3 0.13 -0.00 -0.15 -0.04 3.93 3.86 1g7pA1 LEU 5 H 0.12 0.67 0.42 -0.55 8.37 9.02 1g7pA1 LEU 5 HA 0.14 0.30 1.07 -0.75 4.35 5.10 1g7pA1 LEU 5 HB2 0.18 0.00 0.09 -0.04 1.64 1.87 1g7pA1 LEU 5 HB3 0.15 -0.07 0.26 -0.04 1.64 1.94 1g7pA1 LEU 5 HG 0.25 -0.04 -0.15 -0.04 1.64 1.66 1g7pA1 LEU 5 HD13 0.20 0.04 0.03 -0.04 0.93 1.16 1g7pA1 LEU 5 HD23 0.44 -0.02 -0.01 -0.04 0.89 1.26 1g7pA1 ARG 6 H 0.16 0.67 0.38 -0.55 8.46 9.11 1g7pA1 ARG 6 HA 0.17 0.30 1.18 -0.75 4.34 5.24 1g7pA1 ARG 6 HB2 0.26 -0.00 0.03 -0.04 1.90 2.15 1g7pA1 ARG 6 HB3 -0.11 -0.00 -0.05 -0.04 1.80 1.59 1g7pA1 ARG 6 HG2 0.29 0.02 -0.17 -0.04 1.67 1.77 1g7pA1 ARG 6 HG3 0.22 -0.09 -0.47 -0.04 1.67 1.29 1g7pA1 ARG 6 HD2 0.02 -0.01 -0.13 -0.04 3.22 3.05 1g7pA1 ARG 6 HD3 0.10 -0.01 -0.16 -0.04 3.22 3.10 1g7pA1 TYR 7 H 0.18 0.66 0.42 -0.55 8.29 9.00 1g7pA1 TYR 7 HA 0.27 0.29 1.13 -0.75 4.56 5.49 1g7pA1 TYR 7 HB2 0.12 -0.02 0.15 -0.04 3.06 3.27 1g7pA1 TYR 7 HB3 0.13 -0.01 -0.06 -0.04 2.98 3.00 1g7pA1 TYR 7 HD2 0.21 0.03 -0.18 -0.04 7.15 7.16 1g7pA1 TYR 7 HE2 0.24 -0.01 -0.12 -0.04 6.85 6.91 1g7pA1 PHE 8 H 0.50 0.74 0.38 -0.55 8.34 9.40 1g7pA1 PHE 8 HA 0.10 0.24 1.04 -0.75 4.62 5.25 1g7pA1 PHE 8 HB2 0.16 -0.01 0.23 -0.04 3.15 3.48 1g7pA1 PHE 8 HB3 0.07 0.01 0.04 -0.04 3.06 3.13 1g7pA1 PHE 8 HD2 0.19 0.06 -0.05 -0.04 7.28 7.44 1g7pA1 PHE 8 HE2 -0.06 0.01 -0.11 -0.04 7.38 7.18 1g7pA1 PHE 8 HZ -0.10 0.01 -0.10 -0.04 7.32 7.09 1g7pA1 VAL 9 H 0.06 0.66 0.41 -0.55 8.24 8.81 1g7pA1 VAL 9 HA -0.09 0.33 1.17 -0.75 4.13 4.78 1g7pA1 VAL 9 HB -0.09 -0.07 0.11 -0.04 2.12 2.03 1g7pA1 VAL 9 HG13 -0.38 0.01 -0.13 -0.04 0.97 0.43 1g7pA1 VAL 9 HG23 0.06 -0.01 -0.20 -0.04 0.95 0.76 1g7pA1 THR 10 H -0.29 0.66 0.41 -0.55 8.28 8.51 1g7pA1 THR 10 HA -0.09 0.32 1.17 -0.75 4.39 5.03 1g7pA1 THR 10 HB -0.07 -0.05 0.07 -0.04 4.32 4.22 1g7pA1 THR 10 HG23 -0.01 0.00 -0.10 -0.04 1.22 1.07 1g7pA1 ALA 11 H -0.03 0.60 0.39 -0.55 8.40 8.81 1g7pA1 ALA 11 HA 0.13 0.33 1.03 -0.75 4.34 5.08 1g7pA1 ALA 11 HB3 0.17 -0.02 0.05 -0.04 1.41 1.56 1g7pA1 VAL 12 H 0.08 0.67 0.28 -0.55 8.24 8.72 1g7pA1 VAL 12 HA 0.06 0.28 1.26 -0.75 4.13 4.98 1g7pA1 VAL 12 HB 0.02 -0.06 0.15 -0.04 2.12 2.19 1g7pA1 VAL 12 HG13 0.00 0.06 -0.09 -0.04 0.97 0.89 1g7pA1 VAL 12 HG23 0.01 -0.02 -0.20 -0.04 0.95 0.70 1g7pA1 SER 13 H 0.09 0.44 0.33 -0.55 8.46 8.78 1g7pA1 SER 13 HA 0.07 0.05 0.56 -0.75 4.49 4.41 1g7pA1 SER 13 HB2 0.08 0.04 0.08 -0.04 3.95 4.11 1g7pA1 SER 13 HB3 0.11 -0.01 0.12 -0.04 3.93 4.11 1g7pA1 ARG 14 H 0.04 0.18 -0.10 -0.55 8.46 8.02 1g7pA1 ARG 14 HA 0.01 0.13 0.58 -0.75 4.34 4.30 1g7pA1 ARG 14 HB2 0.01 -0.00 0.01 -0.04 1.90 1.88 1g7pA1 ARG 14 HB3 0.01 0.05 -0.11 -0.04 1.80 1.71 1g7pA1 ARG 14 HG2 0.03 -0.10 -0.21 -0.04 1.67 1.35 1g7pA1 ARG 14 HG3 0.02 0.01 -0.24 -0.04 1.67 1.42 1g7pA1 ARG 14 HD2 0.01 -0.01 -0.07 -0.04 3.22 3.11 1g7pA1 ARG 14 HD3 0.01 -0.07 -0.10 -0.04 3.22 3.03 1g7pA1 PRO 15 HA 0.02 -0.04 0.45 -0.51 4.44 4.36 1g7pA1 PRO 15 HB2 0.02 0.08 -0.00 -0.04 2.28 2.33 1g7pA1 PRO 15 HB3 0.03 0.11 0.14 -0.04 2.02 2.26 1g7pA1 PRO 15 HG2 0.04 0.03 -0.56 -0.04 2.03 1.50 1g7pA1 PRO 15 HG3 0.05 0.01 -0.05 -0.04 2.03 2.01 1g7pA1 PRO 15 HD2 0.01 0.10 -0.24 -0.04 3.68 3.51 1g7pA1 PRO 15 HD3 0.03 0.00 -0.35 -0.04 3.65 3.29 1g7pA1 GLY 16 H 0.02 0.10 0.22 -0.55 8.43 8.22 1g7pA1 GLY 16 HA2 0.01 -0.03 0.39 -0.51 4.01 3.87 1g7pA1 GLY 16 HA3 0.01 0.14 0.56 -0.51 4.01 4.21 1g7pA1 LEU 17 H 0.01 0.50 -0.23 -0.55 8.37 8.11 1g7pA1 LEU 17 HA 0.01 0.15 0.91 -0.75 4.35 4.67 1g7pA1 LEU 17 HB2 0.01 0.14 -0.02 -0.04 1.64 1.73 1g7pA1 LEU 17 HB3 0.01 -0.06 0.15 -0.04 1.64 1.69 1g7pA1 LEU 17 HG 0.00 0.07 -0.38 -0.04 1.64 1.30 1g7pA1 LEU 17 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.81 1g7pA1 LEU 17 HD23 0.00 0.04 -0.03 -0.04 0.89 0.86 1g7pA1 GLY 18 H 0.01 -0.04 -0.03 -0.55 8.43 7.83 1g7pA1 GLY 18 HA2 0.02 -0.04 0.28 -0.51 4.01 3.75 1g7pA1 GLY 18 HA3 0.02 0.18 0.75 -0.51 4.01 4.44 1g7pA1 GLU 19 H 0.02 0.08 0.14 -0.55 8.60 8.30 1g7pA1 GLU 19 HA 0.03 0.04 0.47 -0.75 4.29 4.09 1g7pA1 GLU 19 HB2 0.04 0.02 0.09 -0.04 2.09 2.19 1g7pA1 GLU 19 HB3 0.05 0.08 0.08 -0.04 1.99 2.15 1g7pA1 GLU 19 HG2 0.02 -0.08 0.06 -0.04 2.34 2.31 1g7pA1 GLU 19 HG3 0.03 0.01 0.04 -0.04 2.34 2.38 1g7pA1 PRO 20 HA 0.06 0.15 0.48 -0.51 4.44 4.62 1g7pA1 PRO 20 HB2 0.12 -0.02 -0.16 -0.04 2.28 2.18 1g7pA1 PRO 20 HB3 0.10 -0.02 -0.35 -0.04 2.02 1.71 1g7pA1 PRO 20 HG2 0.08 0.01 0.03 -0.04 2.03 2.12 1g7pA1 PRO 20 HG3 0.07 -0.01 0.05 -0.04 2.03 2.10 1g7pA1 PRO 20 HD2 0.06 0.08 0.15 -0.04 3.68 3.93 1g7pA1 PRO 20 HD3 0.05 0.10 0.21 -0.04 3.65 3.97 1g7pA1 ARG 21 H 0.06 0.53 0.31 -0.55 8.46 8.81 1g7pA1 ARG 21 HA 0.07 0.11 0.69 -0.75 4.34 4.46 1g7pA1 ARG 21 HB2 0.02 0.09 0.09 -0.04 1.90 2.06 1g7pA1 ARG 21 HB3 0.03 -0.04 0.13 -0.04 1.80 1.87 1g7pA1 ARG 21 HG2 0.01 -0.03 -0.22 -0.04 1.67 1.40 1g7pA1 ARG 21 HG3 0.01 -0.06 0.04 -0.04 1.67 1.62 1g7pA1 ARG 21 HD2 -0.01 0.06 -0.02 -0.04 3.22 3.21 1g7pA1 ARG 21 HD3 -0.01 -0.00 -0.06 -0.04 3.22 3.11 1g7pA1 TYR 22 H 0.17 0.13 0.21 -0.55 8.29 8.25 1g7pA1 TYR 22 HA 0.04 0.35 1.14 -0.75 4.56 5.33 1g7pA1 TYR 22 HB2 0.11 0.05 -0.11 -0.04 3.06 3.07 1g7pA1 TYR 22 HB3 0.19 -0.06 0.11 -0.04 2.98 3.18 1g7pA1 TYR 22 HD2 0.17 -0.03 -0.10 -0.04 7.15 7.15 1g7pA1 TYR 22 HE2 -0.30 -0.03 -0.16 -0.04 6.85 6.32 1g7pA1 MET 23 H -0.47 0.68 0.40 -0.55 8.47 8.54 1g7pA1 MET 23 HA -0.09 0.30 1.13 -0.75 4.52 5.10 1g7pA1 MET 23 HB2 -0.12 -0.03 0.10 -0.04 2.15 2.06 1g7pA1 MET 23 HB3 -0.09 0.06 0.04 -0.04 2.03 2.00 1g7pA1 MET 23 HG2 -0.08 -0.00 0.08 -0.04 2.63 2.58 1g7pA1 MET 23 HG3 -0.06 -0.11 -0.41 -0.04 2.56 1.94 1g7pA1 MET 23 HE3 -0.05 0.01 -0.06 -0.04 2.10 1.96 1g7pA1 GLU 24 H -0.03 0.64 0.42 -0.55 8.60 9.09 1g7pA1 GLU 24 HA -0.02 0.27 1.00 -0.75 4.29 4.79 1g7pA1 GLU 24 HB2 0.10 -0.07 0.10 -0.04 2.09 2.18 1g7pA1 GLU 24 HB3 0.17 0.00 -0.05 -0.04 1.99 2.07 1g7pA1 GLU 24 HG2 -0.07 0.04 -0.05 -0.04 2.34 2.23 1g7pA1 GLU 24 HG3 -0.14 -0.03 -0.29 -0.04 2.34 1.84 1g7pA1 VAL 25 H 0.19 0.58 0.33 -0.55 8.24 8.79 1g7pA1 VAL 25 HA -0.04 0.22 1.09 -0.75 4.13 4.65 1g7pA1 VAL 25 HB 0.21 -0.04 0.17 -0.04 2.12 2.42 1g7pA1 VAL 25 HG13 -0.18 0.02 0.01 -0.04 0.97 0.78 1g7pA1 VAL 25 HG23 -0.01 -0.00 -0.13 -0.04 0.95 0.77 1g7pA1 GLY 26 H -0.13 0.60 0.34 -0.55 8.43 8.70 1g7pA1 GLY 26 HA2 0.02 0.34 1.21 -0.51 4.01 5.07 1g7pA1 GLY 26 HA3 -0.20 -0.05 0.37 -0.51 4.01 3.62 1g7pA1 TYR 27 H 0.31 0.70 0.44 -0.55 8.29 9.19 1g7pA1 TYR 27 HA 0.42 0.21 1.01 -0.75 4.56 5.45 1g7pA1 TYR 27 HB2 0.29 -0.07 0.01 -0.04 3.06 3.24 1g7pA1 TYR 27 HB3 0.24 0.20 -0.29 -0.04 2.98 3.10 1g7pA1 TYR 27 HD2 0.33 0.01 -0.46 -0.04 7.15 6.99 1g7pA1 TYR 27 HE2 0.01 -0.01 -0.13 -0.04 6.85 6.68 1g7pA1 VAL 28 H 0.31 0.65 0.20 -0.55 8.24 8.85 1g7pA1 VAL 28 HA 0.09 0.28 1.05 -0.75 4.13 4.79 1g7pA1 VAL 28 HB 0.10 -0.01 0.16 -0.04 2.12 2.33 1g7pA1 VAL 28 HG13 -0.01 0.01 -0.07 -0.04 0.97 0.86 1g7pA1 VAL 28 HG23 -0.54 -0.03 -0.05 -0.04 0.95 0.29 1g7pA1 ASP 29 H 0.18 0.55 0.23 -0.55 8.40 8.81 1g7pA1 ASP 29 HA 0.15 -0.01 0.36 -0.75 4.63 4.38 1g7pA1 ASP 29 HB2 0.28 0.19 0.07 -0.04 2.71 3.21 1g7pA1 ASP 29 HB3 0.17 -0.07 0.29 -0.04 2.70 3.04 1g7pA1 ASP 30 H 0.24 0.18 0.22 -0.55 8.40 8.49 1g7pA1 ASP 30 HA 0.20 0.16 0.66 -0.75 4.63 4.90 1g7pA1 ASP 30 HB2 0.16 0.05 0.12 -0.04 2.71 3.01 1g7pA1 ASP 30 HB3 0.14 0.02 0.17 -0.04 2.70 2.99 1g7pA1 THR 31 H 0.42 0.58 -0.27 -0.55 8.28 8.46 1g7pA1 THR 31 HA 0.40 0.15 1.01 -0.75 4.39 5.20 1g7pA1 THR 31 HB 0.39 0.05 0.16 -0.04 4.32 4.87 1g7pA1 THR 31 HG23 0.31 0.01 -0.12 -0.04 1.22 1.38 1g7pA1 GLU 32 H 0.21 0.14 0.13 -0.55 8.60 8.54 1g7pA1 GLU 32 HA -0.55 0.15 0.60 -0.75 4.29 3.74 1g7pA1 GLU 32 HB2 -0.18 -0.01 0.09 -0.04 2.09 1.96 1g7pA1 GLU 32 HB3 -0.06 0.01 0.13 -0.04 1.99 2.03 1g7pA1 GLU 32 HG2 -0.21 -0.05 -0.21 -0.04 2.34 1.83 1g7pA1 GLU 32 HG3 -0.49 0.04 0.07 -0.04 2.34 1.93 1g7pA1 PHE 33 H 0.02 0.53 0.40 -0.55 8.34 8.73 1g7pA1 PHE 33 HA -0.24 0.16 0.91 -0.75 4.62 4.70 1g7pA1 PHE 33 HB2 -0.67 -0.09 0.08 -0.04 3.15 2.42 1g7pA1 PHE 33 HB3 0.05 0.10 -0.21 -0.04 3.06 2.96 1g7pA1 PHE 33 HD2 -0.24 0.04 -0.22 -0.04 7.28 6.81 1g7pA1 PHE 33 HE2 -0.51 -0.01 -0.17 -0.04 7.38 6.65 1g7pA1 PHE 33 HZ 0.03 -0.01 -0.12 -0.04 7.32 7.18 1g7pA1 VAL 34 H -0.50 0.30 0.35 -0.55 8.24 7.83 1g7pA1 VAL 34 HA -0.15 0.33 0.84 -0.75 4.13 4.39 1g7pA1 VAL 34 HB 0.15 0.01 0.04 -0.04 2.12 2.28 1g7pA1 VAL 34 HG13 -0.20 -0.00 -0.19 -0.04 0.97 0.54 1g7pA1 VAL 34 HG23 -0.58 -0.04 -0.08 -0.04 0.95 0.21 1g7pA1 ARG 35 H -0.22 0.47 0.34 -0.55 8.46 8.51 1g7pA1 ARG 35 HA -0.23 0.22 0.83 -0.75 4.34 4.41 1g7pA1 ARG 35 HB2 -0.17 0.03 -0.12 -0.04 1.90 1.60 1g7pA1 ARG 35 HB3 -0.17 0.02 -0.04 -0.04 1.80 1.56 1g7pA1 ARG 35 HG2 -0.16 -0.03 -0.21 -0.04 1.67 1.23 1g7pA1 ARG 35 HG3 -0.12 0.04 0.10 -0.04 1.67 1.65 1g7pA1 ARG 35 HD2 -0.11 -0.02 -0.08 -0.04 3.22 2.96 1g7pA1 ARG 35 HD3 -0.11 -0.00 -0.06 -0.04 3.22 3.00 1g7pA1 PHE 36 H -0.15 0.70 0.42 -0.55 8.34 8.76 1g7pA1 PHE 36 HA -0.22 0.28 0.80 -0.75 4.62 4.72 1g7pA1 PHE 36 HB2 -0.59 -0.01 -0.09 -0.04 3.15 2.41 1g7pA1 PHE 36 HB3 -0.15 -0.09 0.11 -0.04 3.06 2.89 1g7pA1 PHE 36 HD2 0.12 -0.05 -0.39 -0.04 7.28 6.92 1g7pA1 PHE 36 HE2 0.19 0.05 -0.28 -0.04 7.38 7.30 1g7pA1 PHE 36 HZ 0.09 0.05 -0.17 -0.04 7.32 7.26 1g7pA1 ASP 37 H -0.72 0.31 0.11 -0.55 8.40 7.55 1g7pA1 ASP 37 HA -0.19 0.23 1.03 -0.75 4.63 4.94 1g7pA1 ASP 37 HB2 -0.18 0.04 -0.10 -0.04 2.71 2.44 1g7pA1 ASP 37 HB3 -0.22 0.02 0.13 -0.04 2.70 2.58 1g7pA1 SER 38 H -0.05 0.69 0.33 -0.55 8.46 8.88 1g7pA1 SER 38 HA -0.17 0.09 0.46 -0.75 4.49 4.11 1g7pA1 SER 38 HB2 0.13 0.06 0.17 -0.04 3.95 4.26 1g7pA1 SER 38 HB3 0.32 0.02 0.21 -0.04 3.93 4.44 1g7pA1 ASP 39 H -0.09 -0.01 -0.33 -0.55 8.40 7.43 1g7pA1 ASP 39 HA -0.03 0.21 0.65 -0.75 4.63 4.70 1g7pA1 ASP 39 HB2 -0.05 -0.06 0.03 -0.04 2.71 2.58 1g7pA1 ASP 39 HB3 -0.04 0.02 0.07 -0.04 2.70 2.71 1g7pA1 ALA 40 H -0.15 0.32 -0.31 -0.55 8.40 7.72 1g7pA1 ALA 40 HA -0.08 0.06 0.65 -0.75 4.34 4.22 1g7pA1 ALA 40 HB3 -0.14 0.01 0.01 -0.04 1.41 1.25 1g7pA1 GLU 41 H -0.05 0.08 0.11 -0.55 8.60 8.19 1g7pA1 GLU 41 HA -0.03 0.05 0.48 -0.75 4.29 4.04 1g7pA1 GLU 41 HB2 -0.03 0.01 0.11 -0.04 2.09 2.15 1g7pA1 GLU 41 HB3 -0.03 -0.01 0.10 -0.04 1.99 2.01 1g7pA1 GLU 41 HG2 -0.02 -0.02 0.00 -0.04 2.34 2.26 1g7pA1 GLU 41 HG3 -0.02 0.02 -0.14 -0.04 2.34 2.16 1g7pA1 ASN 42 H -0.01 0.09 0.18 -0.55 8.53 8.24 1g7pA1 ASN 42 HA 0.01 -0.01 0.32 -0.75 4.76 4.32 1g7pA1 ASN 42 HB2 -0.02 0.22 0.29 -0.04 2.88 3.32 1g7pA1 ASN 42 HB3 -0.00 -0.04 0.13 -0.04 2.79 2.84 1g7pA1 ASN 42 HD21 -0.00 -0.02 -0.04 -0.04 7.03 6.93 1g7pA1 ASN 42 HD22 0.00 0.02 0.02 -0.04 7.74 7.75 1g7pA1 PRO 43 HA -0.18 0.00 0.35 -0.51 4.44 4.11 1g7pA1 PRO 43 HB2 -0.20 -0.10 -0.06 -0.04 2.28 1.88 1g7pA1 PRO 43 HB3 -0.20 0.17 0.14 -0.04 2.02 2.08 1g7pA1 PRO 43 HG2 0.10 -0.04 0.12 -0.04 2.03 2.17 1g7pA1 PRO 43 HG3 0.05 0.05 0.12 -0.04 2.03 2.21 1g7pA1 PRO 43 HD2 0.02 -0.06 0.22 -0.04 3.68 3.81 1g7pA1 PRO 43 HD3 -0.03 0.35 0.23 -0.04 3.65 4.16 1g7pA1 ARG 44 H -0.10 0.27 0.26 -0.55 8.46 8.33 1g7pA1 ARG 44 HA 0.36 0.05 0.69 -0.75 4.34 4.69 1g7pA1 ARG 44 HB2 0.05 0.03 -0.02 -0.04 1.90 1.92 1g7pA1 ARG 44 HB3 0.17 0.00 0.10 -0.04 1.80 2.03 1g7pA1 ARG 44 HG2 0.13 -0.04 -0.01 -0.04 1.67 1.72 1g7pA1 ARG 44 HG3 0.07 0.16 -0.65 -0.04 1.67 1.21 1g7pA1 ARG 44 HD2 0.05 -0.05 -0.06 -0.04 3.22 3.12 1g7pA1 ARG 44 HD3 0.02 0.03 -0.04 -0.04 3.22 3.19 1g7pA1 TYR 45 H 0.47 0.09 0.17 -0.55 8.29 8.47 1g7pA1 TYR 45 HA 0.32 0.15 0.62 -0.75 4.56 4.90 1g7pA1 TYR 45 HB2 0.23 -0.05 0.02 -0.04 3.06 3.21 1g7pA1 TYR 45 HB3 0.52 0.00 -0.06 -0.04 2.98 3.40 1g7pA1 TYR 45 HD2 0.15 0.01 -0.13 -0.04 7.15 7.14 1g7pA1 TYR 45 HE2 -0.02 -0.03 -0.12 -0.04 6.85 6.63 1g7pA1 GLU 46 H -0.05 0.49 0.42 -0.55 8.60 8.92 1g7pA1 GLU 46 HA -0.37 0.21 0.99 -0.75 4.29 4.36 1g7pA1 GLU 46 HB2 -0.16 -0.06 0.03 -0.04 2.09 1.87 1g7pA1 GLU 46 HB3 -0.23 0.07 0.06 -0.04 1.99 1.85 1g7pA1 GLU 46 HG2 -0.13 0.04 -0.24 -0.04 2.34 1.96 1g7pA1 GLU 46 HG3 -0.10 0.19 -0.19 -0.04 2.34 2.20 1g7pA1 PRO 47 HA 0.08 0.14 0.69 -0.51 4.44 4.84 1g7pA1 PRO 47 HB2 -0.15 0.06 -0.01 -0.04 2.28 2.14 1g7pA1 PRO 47 HB3 -0.07 0.04 0.07 -0.04 2.02 2.02 1g7pA1 PRO 47 HG2 -0.32 0.03 0.06 -0.04 2.03 1.76 1g7pA1 PRO 47 HG3 -0.51 0.06 0.03 -0.04 2.03 1.57 1g7pA1 PRO 47 HD2 -0.57 0.11 0.24 -0.04 3.68 3.42 1g7pA1 PRO 47 HD3 -1.75 0.13 0.15 -0.04 3.65 2.14 1g7pA1 ARG 48 H -0.16 0.58 0.21 -0.55 8.46 8.55 1g7pA1 ARG 48 HA -0.14 0.20 0.75 -0.75 4.34 4.40 1g7pA1 ARG 48 HB2 -0.16 -0.15 -0.56 -0.04 1.90 0.99 1g7pA1 ARG 48 HB3 -0.12 0.01 -0.11 -0.04 1.80 1.53 1g7pA1 ARG 48 HG2 -0.16 0.04 -0.60 -0.04 1.67 0.91 1g7pA1 ARG 48 HG3 -0.18 -0.01 -0.41 -0.04 1.67 1.03 1g7pA1 ARG 48 HD2 -0.13 0.14 -0.11 -0.04 3.22 3.08 1g7pA1 ARG 48 HD3 -0.14 -0.02 -0.22 -0.04 3.22 2.80 1g7pA1 ALA 49 H -0.28 0.11 0.23 -0.55 8.40 7.91 1g7pA1 ALA 49 HA -0.18 0.23 0.89 -0.75 4.34 4.52 1g7pA1 ALA 49 HB3 -0.74 0.05 0.11 -0.04 1.41 0.79 1g7pA1 ARG 50 H -0.11 0.23 0.13 -0.55 8.46 8.16 1g7pA1 ARG 50 HA -0.08 0.12 0.33 -0.75 4.34 3.95 1g7pA1 ARG 50 HB2 0.00 0.06 0.13 -0.04 1.90 2.05 1g7pA1 ARG 50 HB3 0.09 -0.01 0.11 -0.04 1.80 1.94 1g7pA1 ARG 50 HG2 0.06 0.03 -0.03 -0.04 1.67 1.68 1g7pA1 ARG 50 HG3 0.04 -0.02 -0.03 -0.04 1.67 1.62 1g7pA1 ARG 50 HD2 -0.01 -0.00 0.02 -0.04 3.22 3.19 1g7pA1 ARG 50 HD3 0.00 0.03 0.02 -0.04 3.22 3.22 1g7pA1 TRP 51 H -0.18 0.10 -0.15 -0.55 7.97 7.19 1g7pA1 TRP 51 HA 0.06 0.14 0.40 -0.75 4.62 4.46 1g7pA1 TRP 51 HB2 0.06 0.07 -0.10 -0.04 3.23 3.22 1g7pA1 TRP 51 HB3 0.04 0.04 0.10 -0.04 3.23 3.36 1g7pA1 TRP 51 HD1 0.02 -0.00 0.07 -0.04 7.22 7.27 1g7pA1 TRP 51 HE1 0.03 0.07 0.01 -0.04 10.20 10.26 1g7pA1 TRP 51 HE3 0.11 -0.02 -0.31 -0.04 7.59 7.32 1g7pA1 TRP 51 HZ2 -0.04 0.06 -0.05 -0.04 7.44 7.36 1g7pA1 TRP 51 HZ3 -0.02 -0.03 -0.04 -0.04 7.13 6.99 1g7pA1 TRP 51 HH2 -0.70 -0.02 -0.06 -0.04 7.19 6.37 1g7pA1 MET 52 H -0.44 0.43 -0.46 -0.55 8.47 7.46 1g7pA1 MET 52 HA 0.13 0.07 0.50 -0.75 4.52 4.47 1g7pA1 MET 52 HB2 -0.13 0.17 0.18 -0.04 2.15 2.34 1g7pA1 MET 52 HB3 0.36 -0.03 0.16 -0.04 2.03 2.49 1g7pA1 MET 52 HG2 -1.14 -0.06 0.04 -0.04 2.63 1.42 1g7pA1 MET 52 HG3 -0.10 0.13 0.11 -0.04 2.56 2.66 1g7pA1 MET 52 HE3 -0.23 -0.01 -0.02 -0.04 2.10 1.80 1g7pA1 GLU 53 H 0.08 0.41 -0.48 -0.55 8.60 8.07 1g7pA1 GLU 53 HA 0.14 0.06 0.46 -0.75 4.29 4.19 1g7pA1 GLU 53 HB2 0.06 -0.05 0.12 -0.04 2.09 2.18 1g7pA1 GLU 53 HB3 0.04 0.06 0.15 -0.04 1.99 2.20 1g7pA1 GLU 53 HG2 0.12 0.02 0.04 -0.04 2.34 2.48 1g7pA1 GLU 53 HG3 0.10 -0.01 -0.33 -0.04 2.34 2.06 1g7pA1 GLN 54 H 0.19 0.32 -0.44 -0.55 8.47 7.99 1g7pA1 GLN 54 HA 0.13 0.09 0.50 -0.75 4.36 4.33 1g7pA1 GLN 54 HB2 0.22 0.09 0.09 -0.04 2.15 2.51 1g7pA1 GLN 54 HB3 0.13 -0.07 0.10 -0.04 2.02 2.15 1g7pA1 GLN 54 HG2 0.11 -0.03 0.03 -0.04 2.40 2.47 1g7pA1 GLN 54 HG3 0.17 -0.03 0.04 -0.04 2.39 2.52 1g7pA1 GLN 54 HE21 0.14 0.37 0.19 -0.04 6.97 7.63 1g7pA1 GLN 54 HE22 0.23 -0.11 0.10 -0.04 7.69 7.87 1g7pA1 GLU 55 H 0.18 0.35 -0.36 -0.55 8.60 8.23 1g7pA1 GLU 55 HA 0.06 0.05 0.69 -0.75 4.29 4.33 1g7pA1 GLU 55 HB2 -0.15 0.14 0.08 -0.04 2.09 2.13 1g7pA1 GLU 55 HB3 -0.39 -0.11 0.07 -0.04 1.99 1.51 1g7pA1 GLU 55 HG2 -0.10 0.01 -0.00 -0.04 2.34 2.21 1g7pA1 GLU 55 HG3 -1.27 -0.04 0.00 -0.04 2.34 1.00 1g7pA1 GLY 56 H 0.11 0.02 0.16 -0.55 8.43 8.18 1g7pA1 GLY 56 HA2 0.17 0.28 0.57 -0.51 4.01 4.52 1g7pA1 GLY 56 HA3 0.13 -0.02 0.38 -0.51 4.01 3.99 1g7pA1 PRO 57 HA 0.44 0.13 0.46 -0.51 4.44 4.95 1g7pA1 PRO 57 HB2 0.14 0.03 0.03 -0.04 2.28 2.44 1g7pA1 PRO 57 HB3 0.16 0.10 0.14 -0.04 2.02 2.38 1g7pA1 PRO 57 HG2 0.11 -0.03 0.11 -0.04 2.03 2.17 1g7pA1 PRO 57 HG3 0.10 0.10 0.10 -0.04 2.03 2.29 1g7pA1 PRO 57 HD2 0.13 0.08 0.26 -0.04 3.68 4.11 1g7pA1 PRO 57 HD3 0.15 0.23 0.20 -0.04 3.65 4.20 1g7pA1 GLU 58 H 0.13 0.13 -0.26 -0.55 8.60 8.05 1g7pA1 GLU 58 HA 0.08 0.08 0.40 -0.75 4.29 4.09 1g7pA1 GLU 58 HB2 0.07 0.05 0.08 -0.04 2.09 2.25 1g7pA1 GLU 58 HB3 0.09 -0.02 0.04 -0.04 1.99 2.07 1g7pA1 GLU 58 HG2 0.05 0.00 -0.27 -0.04 2.34 2.08 1g7pA1 GLU 58 HG3 0.04 -0.00 0.03 -0.04 2.34 2.37 1g7pA1 TYR 59 H 0.11 0.29 -0.29 -0.55 8.29 7.85 1g7pA1 TYR 59 HA -0.19 0.04 0.40 -0.75 4.56 4.06 1g7pA1 TYR 59 HB2 -0.15 -0.07 0.10 -0.04 3.06 2.91 1g7pA1 TYR 59 HB3 -0.64 0.22 0.07 -0.04 2.98 2.59 1g7pA1 TYR 59 HD2 -1.29 0.02 -0.15 -0.04 7.15 5.70 1g7pA1 TYR 59 HE2 -0.90 0.01 -0.08 -0.04 6.85 5.84 1g7pA1 TRP 60 H -0.04 0.31 -0.17 -0.55 7.97 7.52 1g7pA1 TRP 60 HA 0.06 0.02 0.40 -0.75 4.62 4.35 1g7pA1 TRP 60 HB2 0.10 0.08 0.11 -0.04 3.23 3.48 1g7pA1 TRP 60 HB3 0.11 0.08 0.07 -0.04 3.23 3.46 1g7pA1 TRP 60 HD1 0.13 -0.03 -0.09 -0.04 7.22 7.18 1g7pA1 TRP 60 HE1 0.08 0.19 -0.09 -0.04 10.20 10.33 1g7pA1 TRP 60 HE3 0.24 -0.00 -0.19 -0.04 7.59 7.60 1g7pA1 TRP 60 HZ2 -0.02 0.24 0.03 -0.04 7.44 7.64 1g7pA1 TRP 60 HZ3 0.25 -0.05 -0.39 -0.04 7.13 6.90 1g7pA1 TRP 60 HH2 -0.01 -0.02 -0.05 -0.04 7.19 7.07 1g7pA1 GLU 61 H 0.14 0.41 -0.19 -0.55 8.60 8.42 1g7pA1 GLU 61 HA 0.10 0.06 0.47 -0.75 4.29 4.18 1g7pA1 GLU 61 HB2 0.10 0.06 0.11 -0.04 2.09 2.32 1g7pA1 GLU 61 HB3 0.04 0.04 0.16 -0.04 1.99 2.19 1g7pA1 GLU 61 HG2 0.04 -0.01 -0.00 -0.04 2.34 2.33 1g7pA1 GLU 61 HG3 0.02 -0.02 -0.13 -0.04 2.34 2.16 1g7pA1 ARG 62 H -0.09 0.59 -0.06 -0.55 8.46 8.35 1g7pA1 ARG 62 HA -0.10 0.01 0.43 -0.75 4.34 3.93 1g7pA1 ARG 62 HB2 -0.10 0.00 0.12 -0.04 1.90 1.89 1g7pA1 ARG 62 HB3 -0.25 0.12 0.18 -0.04 1.80 1.80 1g7pA1 ARG 62 HG2 -0.29 0.00 -0.16 -0.04 1.67 1.18 1g7pA1 ARG 62 HG3 -0.16 -0.06 0.02 -0.04 1.67 1.42 1g7pA1 ARG 62 HD2 -0.09 -0.01 -0.03 -0.04 3.22 3.04 1g7pA1 ARG 62 HD3 -0.06 -0.01 -0.00 -0.04 3.22 3.10 1g7pA1 GLU 63 H -0.40 0.63 -0.09 -0.55 8.60 8.20 1g7pA1 GLU 63 HA -0.53 0.01 0.45 -0.75 4.29 3.46 1g7pA1 GLU 63 HB2 -0.48 0.10 0.09 -0.04 2.09 1.75 1g7pA1 GLU 63 HB3 -1.34 -0.07 -0.01 -0.04 1.99 0.53 1g7pA1 GLU 63 HG2 -1.35 0.19 0.06 -0.04 2.34 1.20 1g7pA1 GLU 63 HG3 -1.25 -0.02 -0.06 -0.04 2.34 0.97 1g7pA1 THR 64 H -0.03 0.55 -0.22 -0.55 8.28 8.03 1g7pA1 THR 64 HA 0.15 -0.04 0.49 -0.75 4.39 4.24 1g7pA1 THR 64 HB 0.10 0.16 0.26 -0.04 4.32 4.79 1g7pA1 THR 64 HG23 0.19 -0.00 0.01 -0.04 1.22 1.37 1g7pA1 GLN 65 H -0.06 0.57 -0.07 -0.55 8.47 8.36 1g7pA1 GLN 65 HA -0.04 0.03 0.41 -0.75 4.36 4.01 1g7pA1 GLN 65 HB2 -0.08 0.10 0.16 -0.04 2.15 2.29 1g7pA1 GLN 65 HB3 -0.05 -0.05 0.02 -0.04 2.02 1.89 1g7pA1 GLN 65 HG2 -0.01 0.27 0.11 -0.04 2.40 2.73 1g7pA1 GLN 65 HG3 -0.02 -0.05 0.01 -0.04 2.39 2.29 1g7pA1 GLN 65 HE21 0.03 0.00 -0.02 -0.04 6.97 6.94 1g7pA1 GLN 65 HE22 0.03 0.04 0.00 -0.04 7.69 7.73 1g7pA1 LYS 66 H -0.18 0.51 -0.21 -0.55 8.42 7.99 1g7pA1 LYS 66 HA -0.14 0.02 0.44 -0.75 4.32 3.88 1g7pA1 LYS 66 HB2 -0.29 0.11 0.14 -0.04 1.87 1.79 1g7pA1 LYS 66 HB3 -0.21 -0.07 -0.01 -0.04 1.79 1.46 1g7pA1 LYS 66 HG2 -0.15 -0.06 0.02 -0.04 1.46 1.23 1g7pA1 LYS 66 HG3 -0.20 0.27 0.08 -0.04 1.46 1.57 1g7pA1 LYS 66 HD2 -0.21 -0.04 -0.03 -0.04 1.69 1.37 1g7pA1 LYS 66 HD3 -0.18 -0.02 -0.04 -0.04 1.68 1.41 1g7pA1 LYS 66 HE2 -0.37 0.03 -0.19 -0.04 2.99 2.42 1g7pA1 LYS 66 HE3 -0.38 0.00 -0.04 -0.04 2.99 2.53 1g7pA1 ALA 67 H -0.23 0.59 -0.19 -0.55 8.40 8.03 1g7pA1 ALA 67 HA -0.14 -0.03 0.38 -0.75 4.34 3.79 1g7pA1 ALA 67 HB3 -0.67 0.03 0.05 -0.04 1.41 0.78 1g7pA1 LYS 68 H -0.20 0.59 -0.17 -0.55 8.42 8.09 1g7pA1 LYS 68 HA -0.09 0.01 0.42 -0.75 4.32 3.91 1g7pA1 LYS 68 HB2 -0.05 0.12 0.15 -0.04 1.87 2.05 1g7pA1 LYS 68 HB3 -0.01 -0.05 0.02 -0.04 1.79 1.71 1g7pA1 LYS 68 HG2 0.14 -0.04 0.02 -0.04 1.46 1.54 1g7pA1 LYS 68 HG3 0.03 0.16 0.05 -0.04 1.46 1.66 1g7pA1 LYS 68 HD2 0.04 -0.03 -0.03 -0.04 1.69 1.63 1g7pA1 LYS 68 HD3 0.05 -0.05 0.01 -0.04 1.68 1.65 1g7pA1 LYS 68 HE2 0.16 0.00 0.01 -0.04 2.99 3.12 1g7pA1 LYS 68 HE3 0.17 0.06 -0.00 -0.04 2.99 3.18 1g7pA1 GLY 69 H -0.11 0.48 -0.24 -0.55 8.43 8.01 1g7pA1 GLY 69 HA2 -0.08 0.02 0.46 -0.51 4.01 3.90 1g7pA1 GLY 69 HA3 -0.09 0.07 0.30 -0.51 4.01 3.78 1g7pA1 ASN 70 H -0.12 0.66 -0.09 -0.55 8.53 8.44 1g7pA1 ASN 70 HA -0.07 -0.01 0.44 -0.75 4.76 4.36 1g7pA1 ASN 70 HB2 0.02 0.11 0.13 -0.04 2.88 3.10 1g7pA1 ASN 70 HB3 0.29 -0.07 -0.05 -0.04 2.79 2.92 1g7pA1 ASN 70 HD21 -0.10 -0.05 -0.10 -0.04 7.03 6.73 1g7pA1 ASN 70 HD22 -0.03 -0.02 -0.16 -0.04 7.74 7.49 1g7pA1 GLU 71 H -0.33 0.67 -0.21 -0.55 8.60 8.18 1g7pA1 GLU 71 HA -1.36 -0.03 0.33 -0.75 4.29 2.47 1g7pA1 GLU 71 HB2 -0.39 -0.00 0.06 -0.04 2.09 1.72 1g7pA1 GLU 71 HB3 -0.18 0.17 0.17 -0.04 1.99 2.11 1g7pA1 GLU 71 HG2 -0.06 -0.01 -0.29 -0.04 2.34 1.94 1g7pA1 GLU 71 HG3 -0.08 -0.06 -0.04 -0.04 2.34 2.12 1g7pA1 GLN 72 H -0.13 0.49 -0.24 -0.55 8.47 8.04 1g7pA1 GLN 72 HA -0.05 0.01 0.44 -0.75 4.36 4.01 1g7pA1 GLN 72 HB2 -0.07 0.14 0.14 -0.04 2.15 2.32 1g7pA1 GLN 72 HB3 -0.05 -0.07 0.05 -0.04 2.02 1.91 1g7pA1 GLN 72 HG2 -0.05 0.31 0.14 -0.04 2.40 2.75 1g7pA1 GLN 72 HG3 -0.04 -0.04 0.04 -0.04 2.39 2.31 1g7pA1 GLN 72 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 1g7pA1 GLN 72 HE22 -0.00 0.05 0.01 -0.04 7.69 7.70 1g7pA1 SER 73 H -0.12 0.49 -0.20 -0.55 8.46 8.08 1g7pA1 SER 73 HA -0.12 0.01 0.43 -0.75 4.49 4.05 1g7pA1 SER 73 HB2 -0.23 -0.08 0.06 -0.04 3.95 3.66 1g7pA1 SER 73 HB3 -0.16 0.08 0.12 -0.04 3.93 3.93 1g7pA1 PHE 74 H -0.00 0.59 -0.21 -0.55 8.34 8.16 1g7pA1 PHE 74 HA 0.04 -0.02 0.53 -0.75 4.62 4.42 1g7pA1 PHE 74 HB2 -0.05 0.18 0.09 -0.04 3.15 3.32 1g7pA1 PHE 74 HB3 0.14 -0.07 -0.01 -0.04 3.06 3.08 1g7pA1 PHE 74 HD2 0.08 0.09 -0.09 -0.04 7.28 7.33 1g7pA1 PHE 74 HE2 0.26 -0.03 -0.11 -0.04 7.38 7.46 1g7pA1 PHE 74 HZ 0.23 -0.02 -0.11 -0.04 7.32 7.37 1g7pA1 ARG 75 H 0.03 0.45 -0.22 -0.55 8.46 8.17 1g7pA1 ARG 75 HA 0.08 0.01 0.43 -0.75 4.34 4.11 1g7pA1 ARG 75 HB2 -0.00 0.17 0.19 -0.04 1.90 2.22 1g7pA1 ARG 75 HB3 0.02 -0.05 0.02 -0.04 1.80 1.75 1g7pA1 ARG 75 HG2 0.05 -0.04 0.03 -0.04 1.67 1.67 1g7pA1 ARG 75 HG3 0.01 0.27 0.02 -0.04 1.67 1.93 1g7pA1 ARG 75 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.17 1g7pA1 ARG 75 HD3 0.02 -0.04 0.02 -0.04 3.22 3.17 1g7pA1 VAL 76 H -0.02 0.46 -0.19 -0.55 8.24 7.94 1g7pA1 VAL 76 HA -0.03 0.04 0.45 -0.75 4.13 3.83 1g7pA1 VAL 76 HB -0.07 0.16 0.16 -0.04 2.12 2.33 1g7pA1 VAL 76 HG13 -0.06 -0.02 -0.08 -0.04 0.97 0.77 1g7pA1 VAL 76 HG23 -0.04 0.05 0.05 -0.04 0.95 0.97 1g7pA1 ASP 77 H -0.05 0.48 -0.12 -0.55 8.40 8.16 1g7pA1 ASP 77 HA -0.12 -0.02 0.38 -0.75 4.63 4.11 1g7pA1 ASP 77 HB2 0.06 0.10 0.14 -0.04 2.71 2.97 1g7pA1 ASP 77 HB3 -0.04 -0.07 -0.01 -0.04 2.70 2.54 1g7pA1 LEU 78 H 0.05 0.58 -0.29 -0.55 8.37 8.17 1g7pA1 LEU 78 HA 0.04 -0.03 0.37 -0.75 4.35 3.97 1g7pA1 LEU 78 HB2 0.07 0.20 0.14 -0.04 1.64 2.02 1g7pA1 LEU 78 HB3 0.10 -0.04 -0.01 -0.04 1.64 1.64 1g7pA1 LEU 78 HG 0.18 0.09 0.03 -0.04 1.64 1.89 1g7pA1 LEU 78 HD13 0.14 -0.02 -0.14 -0.04 0.93 0.86 1g7pA1 LEU 78 HD23 0.22 -0.02 -0.10 -0.04 0.89 0.95 1g7pA1 ARG 79 H -0.03 0.39 -0.24 -0.55 8.46 8.03 1g7pA1 ARG 79 HA -0.03 0.04 0.46 -0.75 4.34 4.06 1g7pA1 ARG 79 HB2 -0.02 0.06 0.14 -0.04 1.90 2.04 1g7pA1 ARG 79 HB3 -0.06 0.09 0.14 -0.04 1.80 1.93 1g7pA1 ARG 79 HG2 -0.02 -0.01 0.05 -0.04 1.67 1.65 1g7pA1 ARG 79 HG3 -0.03 -0.01 0.01 -0.04 1.67 1.60 1g7pA1 ARG 79 HD2 -0.08 0.03 -0.56 -0.04 3.22 2.57 1g7pA1 ARG 79 HD3 -0.04 -0.03 -0.01 -0.04 3.22 3.10 1g7pA1 THR 80 H -0.15 0.60 -0.04 -0.55 8.28 8.14 1g7pA1 THR 80 HA -0.28 0.02 0.40 -0.75 4.39 3.78 1g7pA1 THR 80 HB -0.33 0.08 0.16 -0.04 4.32 4.19 1g7pA1 THR 80 HG23 -0.78 -0.03 -0.09 -0.04 1.22 0.28 1g7pA1 LEU 81 H -0.32 0.68 -0.14 -0.55 8.37 8.05 1g7pA1 LEU 81 HA -0.44 -0.06 0.45 -0.75 4.35 3.54 1g7pA1 LEU 81 HB2 -0.45 0.17 0.08 -0.04 1.64 1.40 1g7pA1 LEU 81 HB3 -0.78 -0.05 -0.01 -0.04 1.64 0.77 1g7pA1 LEU 81 HG -0.44 0.09 0.02 -0.04 1.64 1.27 1g7pA1 LEU 81 HD13 -0.94 -0.01 -0.05 -0.04 0.93 -0.12 1g7pA1 LEU 81 HD23 -0.20 -0.03 -0.04 -0.04 0.89 0.58 1g7pA1 LEU 82 H -0.14 0.43 -0.34 -0.55 8.37 7.77 1g7pA1 LEU 82 HA -0.03 -0.01 0.39 -0.75 4.35 3.94 1g7pA1 LEU 82 HB2 -0.05 0.21 0.15 -0.04 1.64 1.91 1g7pA1 LEU 82 HB3 -0.01 0.06 -0.05 -0.04 1.64 1.60 1g7pA1 LEU 82 HG -0.02 0.17 0.06 -0.04 1.64 1.81 1g7pA1 LEU 82 HD13 0.03 -0.03 -0.04 -0.04 0.93 0.85 1g7pA1 LEU 82 HD23 -0.07 0.01 -0.10 -0.04 0.89 0.69 1g7pA1 GLY 83 H -0.14 0.38 -0.28 -0.55 8.43 7.84 1g7pA1 GLY 83 HA2 -0.01 0.05 0.48 -0.51 4.01 4.03 1g7pA1 GLY 83 HA3 -0.06 0.06 0.32 -0.51 4.01 3.82 1g7pA1 TYR 84 H -0.16 0.42 0.04 -0.55 8.29 8.04 1g7pA1 TYR 84 HA -0.16 0.03 0.41 -0.75 4.56 4.09 1g7pA1 TYR 84 HB2 -0.35 0.05 0.15 -0.04 3.06 2.87 1g7pA1 TYR 84 HB3 -0.45 -0.13 0.03 -0.04 2.98 2.39 1g7pA1 TYR 84 HD2 -0.14 -0.04 -0.05 -0.04 7.15 6.89 1g7pA1 TYR 84 HE2 -0.12 -0.03 -0.05 -0.04 6.85 6.62 1g7pA1 TYR 85 H 0.11 0.55 -0.25 -0.55 8.29 8.16 1g7pA1 TYR 85 HA 0.06 0.09 0.71 -0.75 4.56 4.67 1g7pA1 TYR 85 HB2 0.04 0.13 0.05 -0.04 3.06 3.25 1g7pA1 TYR 85 HB3 0.09 -0.02 0.08 -0.04 2.98 3.09 1g7pA1 TYR 85 HD2 -0.03 0.14 0.03 -0.04 7.15 7.24 1g7pA1 TYR 85 HE2 -0.03 -0.04 -0.01 -0.04 6.85 6.72 1g7pA1 ASN 86 H 0.07 0.26 -0.47 -0.55 8.53 7.85 1g7pA1 ASN 86 HA 0.05 0.04 0.37 -0.75 4.76 4.46 1g7pA1 ASN 86 HB2 0.04 0.01 -0.08 -0.04 2.88 2.81 1g7pA1 ASN 86 HB3 0.07 0.10 -0.00 -0.04 2.79 2.92 1g7pA1 ASN 86 HD21 0.03 -0.06 0.05 -0.04 7.03 7.00 1g7pA1 ASN 86 HD22 0.04 0.01 0.07 -0.04 7.74 7.82 1g7pA1 GLN 87 H 0.06 0.52 0.08 -0.55 8.47 8.58 1g7pA1 GLN 87 HA 0.07 0.14 0.85 -0.75 4.36 4.67 1g7pA1 GLN 87 HB2 -0.02 -0.02 0.03 -0.04 2.15 2.10 1g7pA1 GLN 87 HB3 0.08 -0.06 0.08 -0.04 2.02 2.08 1g7pA1 GLN 87 HG2 0.09 0.03 -0.09 -0.04 2.40 2.39 1g7pA1 GLN 87 HG3 0.14 0.01 -0.38 -0.04 2.39 2.12 1g7pA1 GLN 87 HE21 -0.05 -0.05 -0.04 -0.04 6.97 6.80 1g7pA1 GLN 87 HE22 0.04 0.03 -0.02 -0.04 7.69 7.70 1g7pA1 SER 88 H 0.08 0.08 0.15 -0.55 8.46 8.23 1g7pA1 SER 88 HA 0.04 0.15 0.51 -0.75 4.49 4.44 1g7pA1 SER 88 HB2 0.05 0.10 0.12 -0.04 3.95 4.17 1g7pA1 SER 88 HB3 0.07 -0.00 0.11 -0.04 3.93 4.07 1g7pA1 LYS 89 H 0.04 0.15 0.16 -0.55 8.42 8.21 1g7pA1 LYS 89 HA 0.07 0.24 0.69 -0.75 4.32 4.56 1g7pA1 LYS 89 HB2 0.03 -0.02 0.09 -0.04 1.87 1.92 1g7pA1 LYS 89 HB3 0.03 0.01 0.17 -0.04 1.79 1.96 1g7pA1 LYS 89 HG2 0.02 0.06 -0.01 -0.04 1.46 1.49 1g7pA1 LYS 89 HG3 0.02 0.00 0.00 -0.04 1.46 1.45 1g7pA1 LYS 89 HD2 0.02 -0.02 0.02 -0.04 1.69 1.67 1g7pA1 LYS 89 HD3 0.02 -0.01 0.03 -0.04 1.68 1.67 1g7pA1 LYS 89 HE2 0.00 0.02 -0.00 -0.04 2.99 2.97 1g7pA1 LYS 89 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 1g7pA1 GLY 90 H 0.05 -0.02 -0.26 -0.55 8.43 7.66 1g7pA1 GLY 90 HA2 0.03 0.17 0.66 -0.51 4.01 4.36 1g7pA1 GLY 90 HA3 0.03 -0.01 0.26 -0.51 4.01 3.78 1g7pA1 GLY 91 H 0.09 0.12 -0.25 -0.55 8.43 7.84 1g7pA1 GLY 91 HA2 -0.04 0.18 0.80 -0.51 4.01 4.44 1g7pA1 GLY 91 HA3 -0.04 0.01 0.22 -0.51 4.01 3.70 1g7pA1 SER 92 H -0.15 0.12 0.14 -0.55 8.46 8.02 1g7pA1 SER 92 HA -0.04 0.09 0.59 -0.75 4.49 4.38 1g7pA1 SER 92 HB2 -0.05 0.02 0.09 -0.04 3.95 3.97 1g7pA1 SER 92 HB3 -0.11 -0.08 0.13 -0.04 3.93 3.83 1g7pA1 HIS 93 H 0.06 0.16 0.28 -0.55 8.41 8.36 1g7pA1 HIS 93 HA -0.12 0.16 0.85 -0.75 4.63 4.76 1g7pA1 HIS 93 HB2 0.10 -0.00 0.02 -0.04 3.26 3.35 1g7pA1 HIS 93 HB3 -0.12 -0.05 0.07 -0.04 3.20 3.05 1g7pA1 HIS 93 HD2 0.05 0.16 -0.22 -0.04 6.97 6.91 1g7pA1 HIS 93 HE1 -0.04 -0.02 -0.05 -0.04 7.75 7.60 1g7pA1 THR 94 H -0.12 0.11 0.26 -0.55 8.28 7.99 1g7pA1 THR 94 HA 0.07 0.43 1.30 -0.75 4.39 5.43 1g7pA1 THR 94 HB -0.03 -0.17 0.09 -0.04 4.32 4.17 1g7pA1 THR 94 HG23 0.02 0.02 -0.18 -0.04 1.22 1.04 1g7pA1 ILE 95 H 0.11 0.68 0.45 -0.55 8.25 8.94 1g7pA1 ILE 95 HA 0.23 0.28 1.18 -0.75 4.18 5.11 1g7pA1 ILE 95 HB 0.22 -0.02 0.19 -0.04 1.89 2.24 1g7pA1 ILE 95 HG12 0.25 0.03 0.06 -0.04 1.49 1.78 1g7pA1 ILE 95 HG13 0.30 -0.05 -0.17 -0.04 1.21 1.24 1g7pA1 ILE 95 HG23 0.38 -0.00 -0.09 -0.04 0.93 1.18 1g7pA1 ILE 95 HD13 0.19 0.02 -0.13 -0.04 0.88 0.91 1g7pA1 GLN 96 H 0.16 0.52 0.39 -0.55 8.47 9.01 1g7pA1 GLN 96 HA 0.01 0.40 1.14 -0.75 4.36 5.16 1g7pA1 GLN 96 HB2 0.10 -0.11 0.04 -0.04 2.15 2.13 1g7pA1 GLN 96 HB3 0.08 0.05 -0.00 -0.04 2.02 2.10 1g7pA1 GLN 96 HG2 0.05 0.08 0.00 -0.04 2.40 2.49 1g7pA1 GLN 96 HG3 0.04 -0.06 -0.36 -0.04 2.39 1.97 1g7pA1 GLN 96 HE21 0.05 0.02 -0.09 -0.04 6.97 6.91 1g7pA1 GLN 96 HE22 0.07 0.04 -0.08 -0.04 7.69 7.68 1g7pA1 VAL 97 H -0.01 0.61 0.42 -0.55 8.24 8.71 1g7pA1 VAL 97 HA -0.09 0.36 1.12 -0.75 4.13 4.77 1g7pA1 VAL 97 HB -0.05 -0.06 0.04 -0.04 2.12 2.00 1g7pA1 VAL 97 HG13 -0.49 -0.00 -0.13 -0.04 0.97 0.31 1g7pA1 VAL 97 HG23 0.13 0.00 -0.25 -0.04 0.95 0.79 1g7pA1 ILE 98 H -0.06 0.55 0.39 -0.55 8.25 8.58 1g7pA1 ILE 98 HA -0.19 0.35 1.06 -0.75 4.18 4.64 1g7pA1 ILE 98 HB -0.14 0.00 0.00 -0.04 1.89 1.72 1g7pA1 ILE 98 HG12 -0.74 0.06 0.01 -0.04 1.49 0.78 1g7pA1 ILE 98 HG13 -0.33 -0.01 -0.07 -0.04 1.21 0.76 1g7pA1 ILE 98 HG23 -0.03 -0.00 0.08 -0.04 0.93 0.94 1g7pA1 ILE 98 HD13 -0.08 0.01 -0.36 -0.04 0.88 0.41 1g7pA1 SER 99 H 0.05 0.57 0.37 -0.55 8.46 8.90 1g7pA1 SER 99 HA 0.22 0.29 1.07 -0.75 4.49 5.31 1g7pA1 SER 99 HB2 0.09 -0.03 -0.04 -0.04 3.95 3.92 1g7pA1 SER 99 HB3 0.17 -0.01 0.11 -0.04 3.93 4.16 1g7pA1 GLY 100 H 0.09 0.54 0.43 -0.55 8.43 8.94 1g7pA1 GLY 100 HA2 0.17 -0.01 0.46 -0.51 4.01 4.12 1g7pA1 GLY 100 HA3 0.16 0.23 0.78 -0.51 4.01 4.68 1g7pA1 CYS 101 H -0.04 0.46 0.46 -0.55 8.50 8.83 1g7pA1 CYS 101 HA -0.40 0.23 1.06 -0.75 4.58 4.72 1g7pA1 CYS 101 HB2 -0.10 0.06 0.11 -0.04 2.97 3.00 1g7pA1 CYS 101 HB3 -0.15 -0.00 -0.01 -0.04 2.97 2.77 1g7pA1 GLU 102 H -0.08 0.59 0.45 -0.55 8.60 9.01 1g7pA1 GLU 102 HA 0.06 0.29 1.16 -0.75 4.29 5.04 1g7pA1 GLU 102 HB2 0.07 -0.00 0.09 -0.04 2.09 2.21 1g7pA1 GLU 102 HB3 0.04 -0.03 -0.03 -0.04 1.99 1.93 1g7pA1 GLU 102 HG2 0.08 0.12 -0.10 -0.04 2.34 2.39 1g7pA1 GLU 102 HG3 0.18 -0.04 -0.14 -0.04 2.34 2.29 1g7pA1 VAL 103 H 0.05 0.68 0.38 -0.55 8.24 8.81 1g7pA1 VAL 103 HA 0.01 0.15 0.97 -0.75 4.13 4.50 1g7pA1 VAL 103 HB 0.01 -0.06 -0.33 -0.04 2.12 1.70 1g7pA1 VAL 103 HG13 -0.00 -0.02 -0.32 -0.04 0.97 0.59 1g7pA1 VAL 103 HG23 0.07 0.04 -0.11 -0.04 0.95 0.91 1g7pA1 GLY 104 H 0.01 0.49 0.15 -0.55 8.43 8.53 1g7pA1 GLY 104 HA2 -0.01 0.15 0.60 -0.51 4.01 4.24 1g7pA1 GLY 104 HA3 -0.00 -0.00 0.36 -0.51 4.01 3.85 1g7pA1 SER 105 H -0.00 0.13 0.05 -0.55 8.46 8.08 1g7pA1 SER 105 HA 0.07 0.33 0.38 -0.75 4.49 4.51 1g7pA1 SER 105 HB2 0.00 -0.12 0.04 -0.04 3.95 3.84 1g7pA1 SER 105 HB3 0.02 0.05 0.08 -0.04 3.93 4.04 1g7pA1 ASP 106 H 0.01 -0.05 -0.36 -0.55 8.40 7.45 1g7pA1 ASP 106 HA -0.00 0.23 0.64 -0.75 4.63 4.75 1g7pA1 ASP 106 HB2 -0.01 0.04 0.12 -0.04 2.71 2.82 1g7pA1 ASP 106 HB3 -0.00 0.02 0.03 -0.04 2.70 2.71 1g7pA1 GLY 107 H 0.02 0.56 -0.45 -0.55 8.43 8.01 1g7pA1 GLY 107 HA2 0.00 0.07 0.21 -0.51 4.01 3.79 1g7pA1 GLY 107 HA3 -0.02 0.12 0.44 -0.51 4.01 4.04 1g7pA1 ARG 108 H -0.01 -0.05 -0.31 -0.55 8.46 7.54 1g7pA1 ARG 108 HA -0.02 0.18 0.75 -0.75 4.34 4.49 1g7pA1 ARG 108 HB2 -0.01 -0.07 0.01 -0.04 1.90 1.79 1g7pA1 ARG 108 HB3 -0.02 0.06 0.04 -0.04 1.80 1.85 1g7pA1 ARG 108 HG2 -0.02 0.08 -0.13 -0.04 1.67 1.56 1g7pA1 ARG 108 HG3 -0.01 -0.02 -0.12 -0.04 1.67 1.47 1g7pA1 ARG 108 HD2 -0.01 0.01 -0.02 -0.04 3.22 3.15 1g7pA1 ARG 108 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.13 1g7pA1 LEU 109 H -0.02 0.14 0.18 -0.55 8.37 8.11 1g7pA1 LEU 109 HA -0.02 0.10 0.49 -0.75 4.35 4.17 1g7pA1 LEU 109 HB2 -0.04 0.06 0.16 -0.04 1.64 1.78 1g7pA1 LEU 109 HB3 -0.03 -0.02 0.13 -0.04 1.64 1.68 1g7pA1 LEU 109 HG -0.03 -0.01 -0.39 -0.04 1.64 1.18 1g7pA1 LEU 109 HD13 -0.06 0.05 -0.04 -0.04 0.93 0.83 1g7pA1 LEU 109 HD23 -0.04 -0.01 -0.10 -0.04 0.89 0.70 1g7pA1 LEU 110 H -0.01 0.73 0.52 -0.55 8.37 9.06 1g7pA1 LEU 110 HA -0.00 0.14 0.87 -0.75 4.35 4.60 1g7pA1 LEU 110 HB2 0.01 0.03 -0.06 -0.04 1.64 1.58 1g7pA1 LEU 110 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.54 1g7pA1 LEU 110 HG -0.00 -0.02 -0.17 -0.04 1.64 1.41 1g7pA1 LEU 110 HD13 -0.00 -0.01 -0.20 -0.04 0.93 0.68 1g7pA1 LEU 110 HD23 -0.00 0.01 -0.01 -0.04 0.89 0.85 1g7pA1 ARG 111 H -0.01 0.30 0.36 -0.55 8.46 8.55 1g7pA1 ARG 111 HA -0.01 0.12 0.48 -0.75 4.34 4.17 1g7pA1 ARG 111 HB2 0.07 0.04 0.11 -0.04 1.90 2.08 1g7pA1 ARG 111 HB3 0.04 0.20 -0.08 -0.04 1.80 1.91 1g7pA1 ARG 111 HG2 0.07 -0.09 -0.13 -0.04 1.67 1.48 1g7pA1 ARG 111 HG3 0.16 -0.02 -0.24 -0.04 1.67 1.53 1g7pA1 ARG 111 HD2 0.14 0.01 -0.10 -0.04 3.22 3.23 1g7pA1 ARG 111 HD3 0.07 0.03 -0.12 -0.04 3.22 3.16 1g7pA1 GLY 112 H -0.03 0.29 0.24 -0.55 8.43 8.39 1g7pA1 GLY 112 HA2 -0.37 0.24 1.12 -0.51 4.01 4.48 1g7pA1 GLY 112 HA3 -0.12 -0.00 0.38 -0.51 4.01 3.75 1g7pA1 TYR 113 H -0.41 0.61 0.39 -0.55 8.29 8.34 1g7pA1 TYR 113 HA 0.05 0.12 0.63 -0.75 4.56 4.60 1g7pA1 TYR 113 HB2 0.05 -0.04 -0.04 -0.04 3.06 2.99 1g7pA1 TYR 113 HB3 0.04 0.11 -0.08 -0.04 2.98 3.01 1g7pA1 TYR 113 HD2 0.03 -0.00 -0.33 -0.04 7.15 6.81 1g7pA1 TYR 113 HE2 0.02 0.01 -0.31 -0.04 6.85 6.53 1g7pA1 GLN 114 H 0.25 0.24 0.13 -0.55 8.47 8.54 1g7pA1 GLN 114 HA 0.19 0.31 0.90 -0.75 4.36 5.00 1g7pA1 GLN 114 HB2 0.21 0.05 -0.12 -0.04 2.15 2.26 1g7pA1 GLN 114 HB3 0.36 -0.11 0.18 -0.04 2.02 2.40 1g7pA1 GLN 114 HG2 0.47 -0.05 -0.04 -0.04 2.40 2.74 1g7pA1 GLN 114 HG3 0.21 0.03 -0.09 -0.04 2.39 2.50 1g7pA1 GLN 114 HE21 0.06 0.00 -0.04 -0.04 6.97 6.94 1g7pA1 GLN 114 HE22 0.19 -0.02 -0.07 -0.04 7.69 7.75 1g7pA1 GLN 115 H 0.08 0.64 0.39 -0.55 8.47 9.04 1g7pA1 GLN 115 HA 0.34 0.16 1.26 -0.75 4.36 5.37 1g7pA1 GLN 115 HB2 0.08 -0.01 0.13 -0.04 2.15 2.31 1g7pA1 GLN 115 HB3 0.16 0.04 0.06 -0.04 2.02 2.24 1g7pA1 GLN 115 HG2 0.17 0.02 0.01 -0.04 2.40 2.56 1g7pA1 GLN 115 HG3 0.15 -0.13 -0.25 -0.04 2.39 2.12 1g7pA1 GLN 115 HE21 0.04 0.02 -0.05 -0.04 6.97 6.94 1g7pA1 GLN 115 HE22 0.09 -0.01 -0.03 -0.04 7.69 7.70 1g7pA1 TYR 116 H 0.50 0.68 0.50 -0.55 8.29 9.42 1g7pA1 TYR 116 HA 0.23 0.39 1.23 -0.75 4.56 5.66 1g7pA1 TYR 116 HB2 0.36 -0.14 0.23 -0.04 3.06 3.47 1g7pA1 TYR 116 HB3 0.28 0.03 0.12 -0.04 2.98 3.37 1g7pA1 TYR 116 HD2 0.40 0.06 -0.07 -0.04 7.15 7.51 1g7pA1 TYR 116 HE2 0.43 0.00 -0.13 -0.04 6.85 7.11 1g7pA1 ALA 117 H 0.28 0.62 0.46 -0.55 8.40 9.22 1g7pA1 ALA 117 HA 0.29 0.16 0.87 -0.75 4.34 4.90 1g7pA1 ALA 117 HB3 0.14 -0.01 -0.19 -0.04 1.41 1.30 1g7pA1 TYR 118 H 0.27 0.69 0.23 -0.55 8.29 8.92 1g7pA1 TYR 118 HA 0.03 0.31 1.12 -0.75 4.56 5.27 1g7pA1 TYR 118 HB2 -0.14 -0.05 -0.01 -0.04 3.06 2.81 1g7pA1 TYR 118 HB3 0.05 0.02 0.12 -0.04 2.98 3.13 1g7pA1 TYR 118 HD2 -0.23 0.03 0.00 -0.04 7.15 6.91 1g7pA1 TYR 118 HE2 -0.24 0.02 -0.08 -0.04 6.85 6.50 1g7pA1 ASP 119 H -0.24 0.73 0.36 -0.55 8.40 8.71 1g7pA1 ASP 119 HA -0.18 -0.01 0.41 -0.75 4.63 4.09 1g7pA1 ASP 119 HB2 -0.39 0.10 -0.12 -0.04 2.71 2.26 1g7pA1 ASP 119 HB3 -0.19 0.05 0.26 -0.04 2.70 2.77 1g7pA1 GLY 120 H 0.00 0.04 -0.38 -0.55 8.43 7.54 1g7pA1 GLY 120 HA2 0.03 -0.03 0.17 -0.51 4.01 3.67 1g7pA1 GLY 120 HA3 -0.00 0.13 0.41 -0.51 4.01 4.03 1g7pA1 CYS 121 H 0.06 0.35 -0.28 -0.55 8.50 8.09 1g7pA1 CYS 121 HA 0.06 0.16 0.91 -0.75 4.58 4.96 1g7pA1 CYS 121 HB2 0.08 0.06 0.04 -0.04 2.97 3.12 1g7pA1 CYS 121 HB3 0.08 -0.01 0.06 -0.04 2.97 3.06 1g7pA1 ASP 122 H 0.09 0.14 0.13 -0.55 8.40 8.22 1g7pA1 ASP 122 HA 0.17 0.08 0.43 -0.75 4.63 4.55 1g7pA1 ASP 122 HB2 0.09 0.00 0.10 -0.04 2.71 2.87 1g7pA1 ASP 122 HB3 0.11 -0.00 -0.07 -0.04 2.70 2.70 1g7pA1 TYR 123 H 0.29 0.56 0.39 -0.55 8.29 8.98 1g7pA1 TYR 123 HA 0.12 0.12 0.97 -0.75 4.56 5.02 1g7pA1 TYR 123 HB2 0.20 -0.01 -0.08 -0.04 3.06 3.13 1g7pA1 TYR 123 HB3 0.19 -0.03 -0.05 -0.04 2.98 3.04 1g7pA1 TYR 123 HD2 0.06 0.05 -0.03 -0.04 7.15 7.19 1g7pA1 TYR 123 HE2 -0.15 -0.01 -0.09 -0.04 6.85 6.57 1g7pA1 ILE 124 H 0.36 0.33 0.33 -0.55 8.25 8.72 1g7pA1 ILE 124 HA 0.02 0.33 0.94 -0.75 4.18 4.71 1g7pA1 ILE 124 HB -0.46 -0.04 -0.12 -0.04 1.89 1.23 1g7pA1 ILE 124 HG12 0.23 0.00 -0.09 -0.04 1.49 1.59 1g7pA1 ILE 124 HG13 -0.03 0.09 -0.07 -0.04 1.21 1.15 1g7pA1 ILE 124 HG23 -0.11 -0.01 -0.11 -0.04 0.93 0.66 1g7pA1 ILE 124 HD13 -0.74 0.01 -0.11 -0.04 0.88 -0.01 1g7pA1 ALA 125 H 0.31 0.45 0.36 -0.55 8.40 8.98 1g7pA1 ALA 125 HA 0.51 0.22 1.01 -0.75 4.34 5.33 1g7pA1 ALA 125 HB3 0.22 0.02 0.04 -0.04 1.41 1.65 1g7pA1 LEU 126 H 0.39 0.61 0.38 -0.55 8.37 9.20 1g7pA1 LEU 126 HA -0.24 0.07 0.69 -0.75 4.35 4.12 1g7pA1 LEU 126 HB2 -0.00 -0.02 0.12 -0.04 1.64 1.70 1g7pA1 LEU 126 HB3 0.07 -0.09 0.19 -0.04 1.64 1.77 1g7pA1 LEU 126 HG -0.21 0.20 -0.06 -0.04 1.64 1.52 1g7pA1 LEU 126 HD13 -1.01 0.02 -0.17 -0.04 0.93 -0.27 1g7pA1 LEU 126 HD23 -0.08 -0.00 -0.10 -0.04 0.89 0.67 1g7pA1 ASN 127 H -0.16 0.64 0.37 -0.55 8.53 8.84 1g7pA1 ASN 127 HA 0.03 0.15 0.55 -0.75 4.76 4.73 1g7pA1 ASN 127 HB2 -0.07 -0.09 0.11 -0.04 2.88 2.80 1g7pA1 ASN 127 HB3 -0.01 -0.08 0.12 -0.04 2.79 2.78 1g7pA1 ASN 127 HD21 0.05 0.13 -0.34 -0.04 7.03 6.83 1g7pA1 ASN 127 HD22 -0.01 -0.12 -0.24 -0.04 7.74 7.33 1g7pA1 GLU 128 H 0.01 0.16 0.18 -0.55 8.60 8.41 1g7pA1 GLU 128 HA 0.02 0.20 0.43 -0.75 4.29 4.18 1g7pA1 GLU 128 HB2 0.01 -0.04 0.11 -0.04 2.09 2.12 1g7pA1 GLU 128 HB3 0.02 0.08 0.09 -0.04 1.99 2.14 1g7pA1 GLU 128 HG2 0.05 0.07 0.09 -0.04 2.34 2.50 1g7pA1 GLU 128 HG3 0.03 -0.06 0.13 -0.04 2.34 2.40 1g7pA1 ASP 129 H -0.03 -0.02 -0.31 -0.55 8.40 7.49 1g7pA1 ASP 129 HA -0.03 0.17 0.42 -0.75 4.63 4.44 1g7pA1 ASP 129 HB2 -0.03 0.08 0.08 -0.04 2.71 2.79 1g7pA1 ASP 129 HB3 -0.02 0.04 0.07 -0.04 2.70 2.74 1g7pA1 LEU 130 H -0.08 0.52 -0.48 -0.55 8.37 7.78 1g7pA1 LEU 130 HA -0.15 0.04 0.22 -0.75 4.35 3.71 1g7pA1 LEU 130 HB2 -0.06 0.21 0.09 -0.04 1.64 1.84 1g7pA1 LEU 130 HB3 -0.07 -0.08 0.18 -0.04 1.64 1.62 1g7pA1 LEU 130 HG -0.04 0.19 -0.26 -0.04 1.64 1.50 1g7pA1 LEU 130 HD13 -0.04 -0.03 -0.03 -0.04 0.93 0.79 1g7pA1 LEU 130 HD23 -0.04 -0.00 -0.05 -0.04 0.89 0.76 1g7pA1 LYS 131 H -0.15 -0.18 -0.34 -0.55 8.42 7.20 1g7pA1 LYS 131 HA -0.13 0.22 0.89 -0.75 4.32 4.54 1g7pA1 LYS 131 HB2 -0.06 -0.09 -0.07 -0.04 1.87 1.61 1g7pA1 LYS 131 HB3 -0.05 -0.01 -0.03 -0.04 1.79 1.66 1g7pA1 LYS 131 HG2 -0.04 0.00 -0.09 -0.04 1.46 1.29 1g7pA1 LYS 131 HG3 -0.06 0.27 -0.38 -0.04 1.46 1.25 1g7pA1 LYS 131 HD2 -0.03 -0.06 -0.04 -0.04 1.69 1.52 1g7pA1 LYS 131 HD3 -0.02 -0.04 -0.04 -0.04 1.68 1.54 1g7pA1 LYS 131 HE2 -0.02 0.11 -0.01 -0.04 2.99 3.03 1g7pA1 LYS 131 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 1g7pA1 THR 132 H -0.19 -0.07 0.12 -0.55 8.28 7.60 1g7pA1 THR 132 HA -0.17 0.27 0.99 -0.75 4.39 4.73 1g7pA1 THR 132 HB 0.03 0.07 0.14 -0.04 4.32 4.51 1g7pA1 THR 132 HG23 -0.01 0.01 -0.14 -0.04 1.22 1.05 1g7pA1 TRP 133 H 0.21 0.20 0.19 -0.55 7.97 8.03 1g7pA1 TRP 133 HA 0.10 0.26 1.13 -0.75 4.62 5.36 1g7pA1 TRP 133 HB2 0.04 -0.01 -0.02 -0.04 3.23 3.19 1g7pA1 TRP 133 HB3 0.09 0.01 -0.02 -0.04 3.23 3.27 1g7pA1 TRP 133 HD1 0.13 0.04 -0.01 -0.04 7.22 7.33 1g7pA1 TRP 133 HE1 0.20 -0.04 -0.16 -0.04 10.20 10.16 1g7pA1 TRP 133 HE3 0.31 0.03 -0.47 -0.04 7.59 7.42 1g7pA1 TRP 133 HZ2 0.01 -0.10 -0.35 -0.04 7.44 6.97 1g7pA1 TRP 133 HZ3 0.42 0.04 -0.14 -0.04 7.13 7.40 1g7pA1 TRP 133 HH2 -0.05 0.04 -0.16 -0.04 7.19 6.98 1g7pA1 THR 134 H 0.32 0.62 0.32 -0.55 8.28 9.00 1g7pA1 THR 134 HA 0.09 0.17 0.89 -0.75 4.39 4.78 1g7pA1 THR 134 HB 0.13 -0.02 0.13 -0.04 4.32 4.52 1g7pA1 THR 134 HG23 0.05 0.01 -0.17 -0.04 1.22 1.07 1g7pA1 ALA 135 H -0.00 0.22 0.10 -0.55 8.40 8.18 1g7pA1 ALA 135 HA -0.14 0.18 0.95 -0.75 4.34 4.59 1g7pA1 ALA 135 HB3 -0.21 -0.01 -0.10 -0.04 1.41 1.05 1g7pA1 ALA 136 H -0.14 0.65 0.27 -0.55 8.40 8.63 1g7pA1 ALA 136 HA -0.01 0.13 0.54 -0.75 4.34 4.25 1g7pA1 ALA 136 HB3 0.03 -0.00 -0.04 -0.04 1.41 1.36 1g7pA1 ASP 137 H -0.15 0.06 0.05 -0.55 8.40 7.82 1g7pA1 ASP 137 HA -0.03 0.25 0.54 -0.75 4.63 4.64 1g7pA1 ASP 137 HB2 0.04 -0.08 0.23 -0.04 2.71 2.86 1g7pA1 ASP 137 HB3 0.06 0.23 -0.02 -0.04 2.70 2.93 1g7pA1 MET 138 H -0.06 0.26 0.16 -0.55 8.47 8.29 1g7pA1 MET 138 HA -0.16 0.11 0.45 -0.75 4.52 4.17 1g7pA1 MET 138 HB2 -0.09 0.05 0.14 -0.04 2.15 2.20 1g7pA1 MET 138 HB3 -0.13 0.06 0.05 -0.04 2.03 1.97 1g7pA1 MET 138 HG2 -0.08 0.01 0.04 -0.04 2.63 2.56 1g7pA1 MET 138 HG3 -0.05 -0.01 0.07 -0.04 2.56 2.52 1g7pA1 MET 138 HE3 -0.02 0.01 0.04 -0.04 2.10 2.09 1g7pA1 ALA 139 H -0.20 0.12 -0.15 -0.55 8.40 7.62 1g7pA1 ALA 139 HA -0.50 0.18 0.52 -0.75 4.34 3.78 1g7pA1 ALA 139 HB3 -0.46 0.04 0.02 -0.04 1.41 0.97 1g7pA1 ALA 140 H -0.35 0.09 -0.16 -0.55 8.40 7.43 1g7pA1 ALA 140 HA -0.89 0.05 0.36 -0.75 4.34 3.11 1g7pA1 ALA 140 HB3 -0.83 -0.00 0.13 -0.04 1.41 0.67 1g7pA1 LEU 141 H -0.34 0.26 -0.53 -0.55 8.37 7.21 1g7pA1 LEU 141 HA -0.40 0.01 0.47 -0.75 4.35 3.67 1g7pA1 LEU 141 HB2 -0.24 0.04 0.06 -0.04 1.64 1.46 1g7pA1 LEU 141 HB3 -0.27 0.20 0.12 -0.04 1.64 1.66 1g7pA1 LEU 141 HG -0.49 -0.00 -0.11 -0.04 1.64 1.00 1g7pA1 LEU 141 HD13 -0.40 -0.02 0.06 -0.04 0.93 0.53 1g7pA1 LEU 141 HD23 -0.08 0.01 -0.01 -0.04 0.89 0.77 1g7pA1 ILE 142 H -0.44 0.43 -0.24 -0.55 8.25 7.46 1g7pA1 ILE 142 HA -0.23 0.05 0.44 -0.75 4.18 3.68 1g7pA1 ILE 142 HB -0.85 0.14 0.19 -0.04 1.89 1.33 1g7pA1 ILE 142 HG12 -0.29 -0.04 0.07 -0.04 1.49 1.20 1g7pA1 ILE 142 HG13 -0.42 0.19 0.21 -0.04 1.21 1.15 1g7pA1 ILE 142 HG23 -0.32 -0.01 -0.06 -0.04 0.93 0.50 1g7pA1 ILE 142 HD13 -0.68 -0.01 0.07 -0.04 0.88 0.22 1g7pA1 THR 143 H -0.45 0.30 -0.17 -0.55 8.28 7.42 1g7pA1 THR 143 HA -0.47 0.04 0.38 -0.75 4.39 3.58 1g7pA1 THR 143 HB -0.69 0.11 0.11 -0.04 4.32 3.81 1g7pA1 THR 143 HG23 -1.81 -0.01 -0.12 -0.04 1.22 -0.77 1g7pA1 LYS 144 H -0.55 0.56 -0.21 -0.55 8.42 7.66 1g7pA1 LYS 144 HA -0.58 -0.04 0.35 -0.75 4.32 3.30 1g7pA1 LYS 144 HB2 -0.33 0.00 0.07 -0.04 1.87 1.57 1g7pA1 LYS 144 HB3 -0.43 0.17 0.18 -0.04 1.79 1.67 1g7pA1 LYS 144 HG2 -0.02 0.02 -0.18 -0.04 1.46 1.25 1g7pA1 LYS 144 HG3 0.09 -0.10 -0.00 -0.04 1.46 1.40 1g7pA1 LYS 144 HD2 -0.03 -0.08 -0.10 -0.04 1.69 1.45 1g7pA1 LYS 144 HD3 -0.13 0.04 -0.00 -0.04 1.68 1.54 1g7pA1 LYS 144 HE2 0.22 -0.12 0.06 -0.04 2.99 3.11 1g7pA1 LYS 144 HE3 0.07 0.06 0.05 -0.04 2.99 3.13 1g7pA1 HIS 145 H -0.34 0.60 -0.15 -0.55 8.41 7.97 1g7pA1 HIS 145 HA -0.03 -0.01 0.42 -0.75 4.63 4.26 1g7pA1 HIS 145 HB2 -0.12 0.14 0.18 -0.04 3.26 3.42 1g7pA1 HIS 145 HB3 -0.06 -0.03 0.04 -0.04 3.20 3.11 1g7pA1 HIS 145 HD2 -0.11 -0.02 -0.02 -0.04 6.97 6.78 1g7pA1 HIS 145 HE1 -0.03 -0.02 0.00 -0.04 7.75 7.66 1g7pA1 LYS 146 H -0.10 0.52 -0.16 -0.55 8.42 8.13 1g7pA1 LYS 146 HA 0.05 0.04 0.44 -0.75 4.32 4.10 1g7pA1 LYS 146 HB2 -0.14 0.10 0.17 -0.04 1.87 1.96 1g7pA1 LYS 146 HB3 0.11 -0.05 -0.02 -0.04 1.79 1.79 1g7pA1 LYS 146 HG2 0.01 -0.03 0.03 -0.04 1.46 1.44 1g7pA1 LYS 146 HG3 -0.05 0.16 0.04 -0.04 1.46 1.57 1g7pA1 LYS 146 HD2 -0.02 -0.04 -0.05 -0.04 1.69 1.54 1g7pA1 LYS 146 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 1g7pA1 LYS 146 HE2 0.03 0.00 -0.03 -0.04 2.99 2.96 1g7pA1 LYS 146 HE3 0.06 -0.00 -0.07 -0.04 2.99 2.94 1g7pA1 TRP 147 H -0.04 0.68 -0.09 -0.55 7.97 7.97 1g7pA1 TRP 147 HA -0.07 0.02 0.46 -0.75 4.62 4.27 1g7pA1 TRP 147 HB2 -0.59 0.13 0.12 -0.04 3.23 2.85 1g7pA1 TRP 147 HB3 -0.31 -0.15 0.00 -0.04 3.23 2.73 1g7pA1 TRP 147 HD1 -0.15 -0.04 -0.22 -0.04 7.22 6.77 1g7pA1 TRP 147 HE1 -0.19 0.01 -0.06 -0.04 10.20 9.92 1g7pA1 TRP 147 HE3 -2.84 -0.03 -0.14 -0.04 7.59 4.54 1g7pA1 TRP 147 HZ2 -0.37 0.02 -0.07 -0.04 7.44 6.97 1g7pA1 TRP 147 HZ3 -0.75 -0.02 -0.16 -0.04 7.13 6.16 1g7pA1 TRP 147 HH2 -1.34 0.00 -0.10 -0.04 7.19 5.72 1g7pA1 GLU 148 H 0.17 0.57 -0.17 -0.55 8.60 8.63 1g7pA1 GLU 148 HA 0.28 -0.04 0.55 -0.75 4.29 4.33 1g7pA1 GLU 148 HB2 0.17 0.12 0.17 -0.04 2.09 2.50 1g7pA1 GLU 148 HB3 0.17 -0.02 0.08 -0.04 1.99 2.18 1g7pA1 GLU 148 HG2 0.39 -0.10 0.05 -0.04 2.34 2.65 1g7pA1 GLU 148 HG3 0.23 0.42 0.13 -0.04 2.34 3.08 1g7pA1 GLN 149 H 0.12 0.49 -0.11 -0.55 8.47 8.42 1g7pA1 GLN 149 HA 0.06 0.05 0.47 -0.75 4.36 4.19 1g7pA1 GLN 149 HB2 0.06 0.11 0.18 -0.04 2.15 2.46 1g7pA1 GLN 149 HB3 0.04 -0.04 0.06 -0.04 2.02 2.04 1g7pA1 GLN 149 HG2 0.02 -0.05 0.06 -0.04 2.40 2.39 1g7pA1 GLN 149 HG3 0.05 0.15 0.13 -0.04 2.39 2.67 1g7pA1 GLN 149 HE21 -0.02 -0.04 -0.05 -0.04 6.97 6.82 1g7pA1 GLN 149 HE22 0.00 0.03 -0.08 -0.04 7.69 7.60 1g7pA1 ALA 150 H 0.12 0.28 -0.30 -0.55 8.40 7.96 1g7pA1 ALA 150 HA 0.05 0.17 0.70 -0.75 4.34 4.50 1g7pA1 ALA 150 HB3 0.06 -0.02 0.07 -0.04 1.41 1.47 1g7pA1 GLY 151 H 0.12 0.31 -0.37 -0.55 8.43 7.93 1g7pA1 GLY 151 HA2 0.11 0.02 0.35 -0.51 4.01 3.98 1g7pA1 GLY 151 HA3 0.06 0.09 0.44 -0.51 4.01 4.09 1g7pA1 GLU 152 H 0.14 0.57 0.01 -0.55 8.60 8.77 1g7pA1 GLU 152 HA -0.03 0.09 0.35 -0.75 4.29 3.95 1g7pA1 GLU 152 HB2 -0.33 0.05 0.06 -0.04 2.09 1.83 1g7pA1 GLU 152 HB3 0.08 0.01 0.10 -0.04 1.99 2.14 1g7pA1 GLU 152 HG2 -1.67 0.00 -0.08 -0.04 2.34 0.56 1g7pA1 GLU 152 HG3 0.10 -0.03 -0.33 -0.04 2.34 2.05 1g7pA1 ALA 153 H 0.38 0.18 -0.17 -0.55 8.40 8.24 1g7pA1 ALA 153 HA 0.06 0.04 0.34 -0.75 4.34 4.02 1g7pA1 ALA 153 HB3 -0.13 0.02 -0.08 -0.04 1.41 1.18 1g7pA1 GLU 154 H 0.07 0.15 -0.23 -0.55 8.60 8.05 1g7pA1 GLU 154 HA 0.01 0.10 0.45 -0.75 4.29 4.09 1g7pA1 GLU 154 HB2 0.04 0.17 0.14 -0.04 2.09 2.39 1g7pA1 GLU 154 HB3 0.02 -0.00 0.04 -0.04 1.99 2.00 1g7pA1 GLU 154 HG2 0.02 0.02 0.06 -0.04 2.34 2.39 1g7pA1 GLU 154 HG3 0.04 -0.07 0.07 -0.04 2.34 2.34 1g7pA1 ARG 155 H 0.04 0.41 -0.16 -0.55 8.46 8.20 1g7pA1 ARG 155 HA 0.02 0.03 0.43 -0.75 4.34 4.07 1g7pA1 ARG 155 HB2 0.00 0.10 0.11 -0.04 1.90 2.07 1g7pA1 ARG 155 HB3 -0.01 0.08 0.14 -0.04 1.80 1.97 1g7pA1 ARG 155 HG2 -0.00 -0.06 -0.12 -0.04 1.67 1.44 1g7pA1 ARG 155 HG3 -0.01 -0.00 0.02 -0.04 1.67 1.64 1g7pA1 ARG 155 HD2 -0.06 -0.02 -0.04 -0.04 3.22 3.06 1g7pA1 ARG 155 HD3 -0.06 0.04 -0.03 -0.04 3.22 3.14 1g7pA1 LEU 156 H 0.05 0.62 -0.09 -0.55 8.37 8.40 1g7pA1 LEU 156 HA 0.09 -0.01 0.45 -0.75 4.35 4.13 1g7pA1 LEU 156 HB2 0.09 0.03 0.09 -0.04 1.64 1.81 1g7pA1 LEU 156 HB3 0.06 0.11 0.13 -0.04 1.64 1.90 1g7pA1 LEU 156 HG 0.10 -0.01 -0.17 -0.04 1.64 1.52 1g7pA1 LEU 156 HD13 0.13 -0.02 0.03 -0.04 0.93 1.04 1g7pA1 LEU 156 HD23 0.23 -0.01 -0.06 -0.04 0.89 1.00 1g7pA1 ARG 157 H 0.02 0.71 -0.11 -0.55 8.46 8.53 1g7pA1 ARG 157 HA 0.00 -0.04 0.42 -0.75 4.34 3.97 1g7pA1 ARG 157 HB2 -0.04 0.26 0.22 -0.04 1.90 2.30 1g7pA1 ARG 157 HB3 -0.01 0.06 0.19 -0.04 1.80 2.00 1g7pA1 ARG 157 HG2 -0.02 -0.08 -0.12 -0.04 1.67 1.41 1g7pA1 ARG 157 HG3 -0.03 -0.06 0.09 -0.04 1.67 1.62 1g7pA1 ARG 157 HD2 -0.04 0.18 0.02 -0.04 3.22 3.34 1g7pA1 ARG 157 HD3 -0.02 -0.04 0.01 -0.04 3.22 3.12 1g7pA1 ALA 158 H 0.04 0.50 -0.26 -0.55 8.40 8.13 1g7pA1 ALA 158 HA 0.01 0.02 0.40 -0.75 4.34 4.02 1g7pA1 ALA 158 HB3 0.04 0.05 0.12 -0.04 1.41 1.58 1g7pA1 TYR 159 H 0.16 0.40 -0.27 -0.55 8.29 8.04 1g7pA1 TYR 159 HA 0.03 -0.06 0.54 -0.75 4.56 4.31 1g7pA1 TYR 159 HB2 0.01 0.01 0.11 -0.04 3.06 3.14 1g7pA1 TYR 159 HB3 0.01 0.19 0.22 -0.04 2.98 3.37 1g7pA1 TYR 159 HD2 0.02 0.04 -0.03 -0.04 7.15 7.14 1g7pA1 TYR 159 HE2 0.03 0.01 -0.10 -0.04 6.85 6.75 1g7pA1 LEU 160 H 0.08 0.65 0.01 -0.55 8.37 8.57 1g7pA1 LEU 160 HA -0.28 -0.04 0.38 -0.75 4.35 3.66 1g7pA1 LEU 160 HB2 -0.01 0.10 0.16 -0.04 1.64 1.84 1g7pA1 LEU 160 HB3 -0.07 -0.04 0.03 -0.04 1.64 1.52 1g7pA1 LEU 160 HG 0.21 0.12 0.06 -0.04 1.64 1.98 1g7pA1 LEU 160 HD13 0.03 -0.03 -0.11 -0.04 0.93 0.77 1g7pA1 LEU 160 HD23 0.05 0.01 0.05 -0.04 0.89 0.96 1g7pA1 GLU 161 H -0.05 0.66 -0.08 -0.55 8.60 8.59 1g7pA1 GLU 161 HA -0.06 0.06 0.56 -0.75 4.29 4.10 1g7pA1 GLU 161 HB2 -0.03 0.04 0.04 -0.04 2.09 2.10 1g7pA1 GLU 161 HB3 -0.03 -0.04 0.08 -0.04 1.99 1.96 1g7pA1 GLU 161 HG2 -0.04 -0.05 -0.02 -0.04 2.34 2.19 1g7pA1 GLU 161 HG3 -0.03 0.18 0.10 -0.04 2.34 2.55 1g7pA1 GLY 162 H -0.07 0.29 -0.35 -0.55 8.43 7.76 1g7pA1 GLY 162 HA2 -0.04 0.18 0.85 -0.51 4.01 4.49 1g7pA1 GLY 162 HA3 -0.02 0.05 0.40 -0.51 4.01 3.94 1g7pA1 THR 163 H -0.01 0.21 0.21 -0.55 8.28 8.15 1g7pA1 THR 163 HA 0.17 0.01 0.36 -0.75 4.39 4.18 1g7pA1 THR 163 HB -0.04 0.05 0.19 -0.04 4.32 4.47 1g7pA1 THR 163 HG23 0.31 -0.01 -0.10 -0.04 1.22 1.38 1g7pA1 CYS 164 H -0.49 0.75 -0.03 -0.55 8.50 8.17 1g7pA1 CYS 164 HA -0.03 -0.02 0.35 -0.75 4.58 4.13 1g7pA1 CYS 164 HB2 -0.86 -0.03 -0.01 -0.04 2.97 2.04 1g7pA1 CYS 164 HB3 -0.26 0.27 0.13 -0.04 2.97 3.07 1g7pA1 VAL 165 H -0.09 0.28 -0.33 -0.55 8.24 7.55 1g7pA1 VAL 165 HA -0.02 -0.01 0.38 -0.75 4.13 3.72 1g7pA1 VAL 165 HB -0.06 0.21 0.03 -0.04 2.12 2.26 1g7pA1 VAL 165 HG13 -0.04 -0.02 -0.09 -0.04 0.97 0.78 1g7pA1 VAL 165 HG23 -0.05 0.03 0.05 -0.04 0.95 0.94 1g7pA1 GLU 166 H -0.04 0.64 -0.09 -0.55 8.60 8.56 1g7pA1 GLU 166 HA -0.14 0.05 0.43 -0.75 4.29 3.88 1g7pA1 GLU 166 HB2 -0.12 0.03 0.07 -0.04 2.09 2.03 1g7pA1 GLU 166 HB3 -0.27 -0.06 0.01 -0.04 1.99 1.63 1g7pA1 GLU 166 HG2 -0.11 -0.02 0.02 -0.04 2.34 2.19 1g7pA1 GLU 166 HG3 -0.07 0.18 0.07 -0.04 2.34 2.48 1g7pA1 TRP 167 H 0.15 0.64 -0.11 -0.55 7.97 8.09 1g7pA1 TRP 167 HA -0.31 0.02 0.52 -0.75 4.62 4.11 1g7pA1 TRP 167 HB2 -0.03 0.15 0.12 -0.04 3.23 3.42 1g7pA1 TRP 167 HB3 -0.38 -0.06 -0.02 -0.04 3.23 2.73 1g7pA1 TRP 167 HD1 -0.01 0.21 0.08 -0.04 7.22 7.45 1g7pA1 TRP 167 HE1 0.01 -0.03 -0.02 -0.04 10.20 10.13 1g7pA1 TRP 167 HE3 -0.35 -0.02 -0.00 -0.04 7.59 7.18 1g7pA1 TRP 167 HZ2 0.04 -0.01 -0.03 -0.04 7.44 7.41 1g7pA1 TRP 167 HZ3 0.11 -0.00 -0.02 -0.04 7.13 7.17 1g7pA1 TRP 167 HH2 0.18 -0.04 -0.01 -0.04 7.19 7.28 1g7pA1 LEU 168 H 0.07 0.58 -0.13 -0.55 8.37 8.34 1g7pA1 LEU 168 HA 0.17 -0.03 0.39 -0.75 4.35 4.12 1g7pA1 LEU 168 HB2 0.12 -0.01 0.09 -0.04 1.64 1.79 1g7pA1 LEU 168 HB3 0.03 0.15 0.13 -0.04 1.64 1.91 1g7pA1 LEU 168 HG 0.03 0.04 -0.31 -0.04 1.64 1.36 1g7pA1 LEU 168 HD13 0.09 -0.03 -0.13 -0.04 0.93 0.82 1g7pA1 LEU 168 HD23 0.07 -0.01 -0.23 -0.04 0.89 0.69 1g7pA1 ARG 169 H -0.08 0.58 -0.21 -0.55 8.46 8.19 1g7pA1 ARG 169 HA -0.09 0.03 0.35 -0.75 4.34 3.88 1g7pA1 ARG 169 HB2 -0.14 0.14 0.15 -0.04 1.90 2.01 1g7pA1 ARG 169 HB3 -0.11 -0.05 -0.00 -0.04 1.80 1.60 1g7pA1 ARG 169 HG2 -0.06 -0.05 0.05 -0.04 1.67 1.57 1g7pA1 ARG 169 HG3 -0.06 0.17 0.10 -0.04 1.67 1.84 1g7pA1 ARG 169 HD2 -0.09 -0.05 -0.01 -0.04 3.22 3.02 1g7pA1 ARG 169 HD3 -0.08 -0.05 0.01 -0.04 3.22 3.05 1g7pA1 ARG 170 H -0.24 0.42 -0.22 -0.55 8.46 7.86 1g7pA1 ARG 170 HA -0.16 0.02 0.46 -0.75 4.34 3.91 1g7pA1 ARG 170 HB2 -0.40 0.03 0.13 -0.04 1.90 1.62 1g7pA1 ARG 170 HB3 -0.43 0.11 0.20 -0.04 1.80 1.64 1g7pA1 ARG 170 HG2 -0.02 -0.03 -0.24 -0.04 1.67 1.35 1g7pA1 ARG 170 HG3 -0.15 -0.02 0.03 -0.04 1.67 1.49 1g7pA1 ARG 170 HD2 -0.61 -0.00 -0.00 -0.04 3.22 2.56 1g7pA1 ARG 170 HD3 -0.59 -0.01 -0.01 -0.04 3.22 2.57 1g7pA1 TYR 171 H -0.22 0.68 -0.07 -0.55 8.29 8.12 1g7pA1 TYR 171 HA 0.07 -0.02 0.40 -0.75 4.56 4.25 1g7pA1 TYR 171 HB2 -0.08 0.13 0.11 -0.04 3.06 3.18 1g7pA1 TYR 171 HB3 -0.09 -0.08 -0.01 -0.04 2.98 2.76 1g7pA1 TYR 171 HD2 0.23 -0.02 -0.08 -0.04 7.15 7.23 1g7pA1 TYR 171 HE2 0.44 -0.04 -0.10 -0.04 6.85 7.12 1g7pA1 LEU 172 H -0.10 0.60 -0.21 -0.55 8.37 8.12 1g7pA1 LEU 172 HA -0.35 -0.02 0.33 -0.75 4.35 3.55 1g7pA1 LEU 172 HB2 -0.17 0.14 0.09 -0.04 1.64 1.66 1g7pA1 LEU 172 HB3 -0.27 -0.00 -0.05 -0.04 1.64 1.27 1g7pA1 LEU 172 HG -0.14 0.05 -0.00 -0.04 1.64 1.51 1g7pA1 LEU 172 HD13 -0.16 -0.02 -0.14 -0.04 0.93 0.57 1g7pA1 LEU 172 HD23 -0.46 -0.02 -0.07 -0.04 0.89 0.29 1g7pA1 LYS 173 H -0.13 0.41 -0.27 -0.55 8.42 7.87 1g7pA1 LYS 173 HA -0.11 0.04 0.49 -0.75 4.32 3.99 1g7pA1 LYS 173 HB2 -0.10 0.05 0.12 -0.04 1.87 1.90 1g7pA1 LYS 173 HB3 -0.09 0.08 0.23 -0.04 1.79 1.97 1g7pA1 LYS 173 HG2 -0.05 -0.01 -0.20 -0.04 1.46 1.15 1g7pA1 LYS 173 HG3 -0.06 -0.03 0.03 -0.04 1.46 1.36 1g7pA1 LYS 173 HD2 -0.07 0.00 -0.01 -0.04 1.69 1.58 1g7pA1 LYS 173 HD3 -0.08 -0.01 0.01 -0.04 1.68 1.56 1g7pA1 LYS 173 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 1g7pA1 LYS 173 HE3 -0.05 -0.03 -0.01 -0.04 2.99 2.86 1g7pA1 ASN 174 H -0.06 0.66 0.03 -0.55 8.53 8.62 1g7pA1 ASN 174 HA 0.01 0.04 0.46 -0.75 4.76 4.52 1g7pA1 ASN 174 HB2 0.18 0.04 0.13 -0.04 2.88 3.19 1g7pA1 ASN 174 HB3 0.24 -0.01 0.03 -0.04 2.79 3.00 1g7pA1 ASN 174 HD21 0.09 -0.03 -0.05 -0.04 7.03 7.00 1g7pA1 ASN 174 HD22 0.25 -0.04 -0.07 -0.04 7.74 7.83 1g7pA1 GLY 175 H -0.51 0.72 -0.14 -0.55 8.43 7.96 1g7pA1 GLY 175 HA2 -0.38 0.09 0.78 -0.51 4.01 3.99 1g7pA1 GLY 175 HA3 -1.86 -0.02 0.36 -0.51 4.01 1.99 1g7pA1 ASN 176 H -0.21 0.42 -0.56 -0.55 8.53 7.63 1g7pA1 ASN 176 HA -0.20 0.05 0.35 -0.75 4.76 4.21 1g7pA1 ASN 176 HB2 -0.09 -0.04 0.06 -0.04 2.88 2.77 1g7pA1 ASN 176 HB3 -0.12 0.23 0.20 -0.04 2.79 3.06 1g7pA1 ASN 176 HD21 -0.03 -0.04 -0.03 -0.04 7.03 6.89 1g7pA1 ASN 176 HD22 -0.04 0.01 -0.08 -0.04 7.74 7.59 1g7pA1 ALA 177 H -0.08 0.14 -0.23 -0.55 8.40 7.69 1g7pA1 ALA 177 HA -0.02 0.10 0.34 -0.75 4.34 4.00 1g7pA1 ALA 177 HB3 0.01 -0.00 0.05 -0.04 1.41 1.42 1g7pA1 THR 178 H -0.13 0.27 -0.31 -0.55 8.28 7.56 1g7pA1 THR 178 HA -0.04 0.17 0.79 -0.75 4.39 4.57 1g7pA1 THR 178 HB -0.08 0.04 0.17 -0.04 4.32 4.41 1g7pA1 THR 178 HG23 0.11 -0.00 -0.08 -0.04 1.22 1.21 1g7pA1 LEU 179 H -0.25 0.65 0.17 -0.55 8.37 8.39 1g7pA1 LEU 179 HA 0.04 0.07 0.48 -0.75 4.35 4.18 1g7pA1 LEU 179 HB2 -0.28 0.07 -0.03 -0.04 1.64 1.36 1g7pA1 LEU 179 HB3 -0.10 -0.03 0.00 -0.04 1.64 1.47 1g7pA1 LEU 179 HG -0.50 -0.03 0.07 -0.04 1.64 1.13 1g7pA1 LEU 179 HD13 -0.78 -0.02 -0.12 -0.04 0.93 -0.03 1g7pA1 LEU 179 HD23 0.15 -0.01 -0.03 -0.04 0.89 0.96 1g7pA1 LEU 180 H -0.06 0.46 -0.07 -0.55 8.37 8.15 1g7pA1 LEU 180 HA 0.11 0.18 0.81 -0.75 4.35 4.70 1g7pA1 LEU 180 HB2 -0.02 0.11 0.08 -0.04 1.64 1.77 1g7pA1 LEU 180 HB3 0.02 -0.03 0.16 -0.04 1.64 1.75 1g7pA1 LEU 180 HG -0.13 -0.06 0.00 -0.04 1.64 1.41 1g7pA1 LEU 180 HD13 -0.06 -0.02 0.00 -0.04 0.93 0.81 1g7pA1 LEU 180 HD23 -0.09 0.02 -0.12 -0.04 0.89 0.66 1g7pA1 ARG 181 H 0.06 0.15 -0.55 -0.55 8.46 7.56 1g7pA1 ARG 181 HA 0.07 0.06 0.53 -0.75 4.34 4.24 1g7pA1 ARG 181 HB2 0.05 -0.09 0.06 -0.04 1.90 1.89 1g7pA1 ARG 181 HB3 0.01 0.21 0.03 -0.04 1.80 2.01 1g7pA1 ARG 181 HG2 -0.05 0.24 -0.04 -0.04 1.67 1.77 1g7pA1 ARG 181 HG3 0.12 -0.09 -0.48 -0.04 1.67 1.18 1g7pA1 ARG 181 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.12 1g7pA1 ARG 181 HD3 -0.07 0.01 0.13 -0.04 3.22 3.24 1g7pA1 THR 182 H 0.11 0.18 0.10 -0.55 8.28 8.12 1g7pA1 THR 182 HA 0.27 0.32 0.83 -0.75 4.39 5.06 1g7pA1 THR 182 HB 0.11 -0.06 0.10 -0.04 4.32 4.43 1g7pA1 THR 182 HG23 0.18 0.01 -0.26 -0.04 1.22 1.11 1g7pA1 ASP 183 H 0.33 0.51 0.22 -0.55 8.40 8.92 1g7pA1 ASP 183 HA 0.14 0.10 0.92 -0.75 4.63 5.03 1g7pA1 ASP 183 HB2 0.26 -0.15 0.12 -0.04 2.71 2.90 1g7pA1 ASP 183 HB3 0.14 0.27 0.11 -0.04 2.70 3.18 1g7pA1 SER 184 H 0.11 0.12 0.14 -0.55 8.46 8.28 1g7pA1 SER 184 HA 0.09 -0.00 0.48 -0.75 4.49 4.31 1g7pA1 SER 184 HB2 0.07 -0.08 0.09 -0.04 3.95 3.99 1g7pA1 SER 184 HB3 0.06 0.08 0.01 -0.04 3.93 4.04 1g7pA1 PRO 185 HA 0.18 0.38 0.46 -0.51 4.44 4.95 1g7pA1 PRO 185 HB2 -0.02 -0.06 -0.14 -0.04 2.28 2.03 1g7pA1 PRO 185 HB3 -0.15 0.01 -0.08 -0.04 2.02 1.76 1g7pA1 PRO 185 HG2 -0.09 0.01 -0.05 -0.04 2.03 1.86 1g7pA1 PRO 185 HG3 -0.34 -0.00 -0.12 -0.04 2.03 1.53 1g7pA1 PRO 185 HD2 -0.05 0.04 0.04 -0.04 3.68 3.67 1g7pA1 PRO 185 HD3 -0.65 0.16 0.09 -0.04 3.65 3.20 1g7pA1 LYS 186 H 0.16 0.49 0.32 -0.55 8.42 8.83 1g7pA1 LYS 186 HA 0.07 0.13 0.81 -0.75 4.32 4.57 1g7pA1 LYS 186 HB2 0.10 -0.07 0.11 -0.04 1.87 1.98 1g7pA1 LYS 186 HB3 0.07 -0.01 0.03 -0.04 1.79 1.85 1g7pA1 LYS 186 HG2 0.05 0.03 -0.06 -0.04 1.46 1.44 1g7pA1 LYS 186 HG3 0.07 0.17 -0.15 -0.04 1.46 1.51 1g7pA1 LYS 186 HD2 0.05 -0.04 -0.03 -0.04 1.69 1.62 1g7pA1 LYS 186 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.62 1g7pA1 LYS 186 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.96 1g7pA1 LYS 186 HE3 0.05 0.09 -0.01 -0.04 2.99 3.07 1g7pA1 ALA 187 H 0.08 0.18 0.14 -0.55 8.40 8.26 1g7pA1 ALA 187 HA 0.21 0.32 1.19 -0.75 4.34 5.31 1g7pA1 ALA 187 HB3 0.04 -0.04 -0.01 -0.04 1.41 1.37 1g7pA1 HIS 188 H 0.11 0.49 0.37 -0.55 8.41 8.83 1g7pA1 HIS 188 HA 0.10 0.07 0.48 -0.75 4.63 4.52 1g7pA1 HIS 188 HB2 0.09 -0.01 0.13 -0.04 3.26 3.43 1g7pA1 HIS 188 HB3 0.06 0.15 -0.13 -0.04 3.20 3.24 1g7pA1 HIS 188 HD2 0.07 0.05 -0.28 -0.04 6.97 6.77 1g7pA1 HIS 188 HE1 -0.30 -0.00 -0.11 -0.04 7.75 7.29 1g7pA1 VAL 189 H 0.26 0.21 0.17 -0.55 8.24 8.34 1g7pA1 VAL 189 HA 0.25 0.38 1.20 -0.75 4.13 5.20 1g7pA1 VAL 189 HB 0.35 -0.01 -0.04 -0.04 2.12 2.38 1g7pA1 VAL 189 HG13 0.46 -0.00 -0.24 -0.04 0.97 1.15 1g7pA1 VAL 189 HG23 0.19 -0.02 -0.29 -0.04 0.95 0.79 1g7pA1 THR 190 H 0.27 0.63 0.38 -0.55 8.28 9.01 1g7pA1 THR 190 HA 0.22 0.17 0.96 -0.75 4.39 4.98 1g7pA1 THR 190 HB -0.00 0.02 0.06 -0.04 4.32 4.36 1g7pA1 THR 190 HG23 0.26 0.01 -0.11 -0.04 1.22 1.34 1g7pA1 HIS 191 H -0.06 0.22 0.21 -0.55 8.41 8.24 1g7pA1 HIS 191 HA -0.39 0.33 1.04 -0.75 4.63 4.86 1g7pA1 HIS 191 HB2 -1.00 -0.01 -0.09 -0.04 3.26 2.12 1g7pA1 HIS 191 HB3 -0.10 -0.01 0.10 -0.04 3.20 3.15 1g7pA1 HIS 191 HD2 -2.17 -0.03 -0.06 -0.04 6.97 4.66 1g7pA1 HIS 191 HE1 -0.21 -0.02 -0.16 -0.04 7.75 7.32 1g7pA1 HIS 192 H -0.60 0.51 0.32 -0.55 8.41 8.10 1g7pA1 HIS 192 HA -0.01 0.11 0.90 -0.75 4.63 4.87 1g7pA1 HIS 192 HB2 -0.18 -0.04 0.08 -0.04 3.26 3.09 1g7pA1 HIS 192 HB3 -0.10 0.09 0.04 -0.04 3.20 3.19 1g7pA1 HIS 192 HD2 -0.11 -0.01 -0.24 -0.04 6.97 6.57 1g7pA1 HIS 192 HE1 0.03 -0.01 -0.02 -0.04 7.75 7.70 1g7pA1 SER 193 H 0.06 0.11 0.17 -0.55 8.46 8.26 1g7pA1 SER 193 HA -0.08 0.09 0.62 -0.75 4.49 4.36 1g7pA1 SER 193 HB2 0.00 0.10 0.12 -0.04 3.95 4.13 1g7pA1 SER 193 HB3 0.06 -0.04 0.12 -0.04 3.93 4.03 1g7pA1 ARG 194 H -0.06 0.35 0.33 -0.55 8.46 8.53 1g7pA1 ARG 194 HA -0.05 0.15 0.82 -0.75 4.34 4.51 1g7pA1 ARG 194 HB2 -0.08 0.21 -0.00 -0.04 1.90 1.99 1g7pA1 ARG 194 HB3 -0.07 -0.08 0.05 -0.04 1.80 1.66 1g7pA1 ARG 194 HG2 -0.09 0.04 -0.14 -0.04 1.67 1.44 1g7pA1 ARG 194 HG3 -0.13 -0.03 -0.42 -0.04 1.67 1.05 1g7pA1 ARG 194 HD2 -0.15 -0.02 -0.35 -0.04 3.22 2.66 1g7pA1 ARG 194 HD3 -0.14 -0.06 -0.45 -0.04 3.22 2.53 1g7pA1 PRO 195 HA -0.02 0.06 0.43 -0.51 4.44 4.40 1g7pA1 PRO 195 HB2 -0.02 0.02 0.01 -0.04 2.28 2.25 1g7pA1 PRO 195 HB3 -0.02 0.03 0.11 -0.04 2.02 2.10 1g7pA1 PRO 195 HG2 -0.03 -0.08 0.11 -0.04 2.03 1.99 1g7pA1 PRO 195 HG3 -0.03 0.06 0.08 -0.04 2.03 2.10 1g7pA1 PRO 195 HD2 -0.05 0.10 0.21 -0.04 3.68 3.91 1g7pA1 PRO 195 HD3 -0.03 0.14 0.17 -0.04 3.65 3.89 1g7pA1 GLU 196 H -0.04 0.07 -0.10 -0.55 8.60 7.99 1g7pA1 GLU 196 HA -0.02 0.16 0.77 -0.75 4.29 4.45 1g7pA1 GLU 196 HB2 -0.03 -0.02 0.02 -0.04 2.09 2.02 1g7pA1 GLU 196 HB3 -0.04 0.02 -0.11 -0.04 1.99 1.82 1g7pA1 GLU 196 HG2 -0.02 0.02 -0.02 -0.04 2.34 2.27 1g7pA1 GLU 196 HG3 -0.02 -0.08 0.06 -0.04 2.34 2.26 1g7pA1 ASP 197 H -0.02 0.12 0.12 -0.55 8.40 8.07 1g7pA1 ASP 197 HA -0.03 0.08 0.36 -0.75 4.63 4.29 1g7pA1 ASP 197 HB2 -0.02 -0.01 0.22 -0.04 2.71 2.86 1g7pA1 ASP 197 HB3 -0.02 -0.01 0.22 -0.04 2.70 2.84 1g7pA1 LYS 198 H -0.06 0.70 0.67 -0.55 8.42 9.17 1g7pA1 LYS 198 HA -0.10 -0.02 0.76 -0.75 4.32 4.21 1g7pA1 LYS 198 HB2 -0.09 -0.02 -0.16 -0.04 1.87 1.57 1g7pA1 LYS 198 HB3 -0.13 0.02 -0.04 -0.04 1.79 1.61 1g7pA1 LYS 198 HG2 -0.07 0.00 -0.09 -0.04 1.46 1.26 1g7pA1 LYS 198 HG3 -0.06 -0.09 -0.75 -0.04 1.46 0.52 1g7pA1 LYS 198 HD2 -0.08 0.03 -0.21 -0.04 1.69 1.38 1g7pA1 LYS 198 HD3 -0.05 -0.01 -0.15 -0.04 1.68 1.42 1g7pA1 LYS 198 HE2 -0.07 0.01 -0.16 -0.04 2.99 2.72 1g7pA1 LYS 198 HE3 -0.05 0.01 -0.11 -0.04 2.99 2.79 1g7pA1 VAL 199 H -0.22 0.75 0.36 -0.55 8.24 8.58 1g7pA1 VAL 199 HA -0.26 0.22 0.97 -0.75 4.13 4.30 1g7pA1 VAL 199 HB -0.90 0.04 0.02 -0.04 2.12 1.24 1g7pA1 VAL 199 HG13 -0.11 -0.04 -0.25 -0.04 0.97 0.53 1g7pA1 VAL 199 HG23 -0.40 0.00 -0.20 -0.04 0.95 0.31 1g7pA1 THR 200 H -0.36 0.75 0.35 -0.55 8.28 8.47 1g7pA1 THR 200 HA -0.30 0.24 1.02 -0.75 4.39 4.59 1g7pA1 THR 200 HB -0.12 -0.04 0.13 -0.04 4.32 4.26 1g7pA1 THR 200 HG23 -0.14 -0.01 -0.23 -0.04 1.22 0.80 1g7pA1 LEU 201 H -0.44 0.70 0.38 -0.55 8.37 8.48 1g7pA1 LEU 201 HA -0.26 0.26 1.02 -0.75 4.35 4.62 1g7pA1 LEU 201 HB2 -0.94 -0.01 0.18 -0.04 1.64 0.83 1g7pA1 LEU 201 HB3 -0.30 0.01 -0.00 -0.04 1.64 1.30 1g7pA1 LEU 201 HG -0.53 -0.02 -0.16 -0.04 1.64 0.89 1g7pA1 LEU 201 HD13 -0.33 -0.01 -0.02 -0.04 0.93 0.53 1g7pA1 LEU 201 HD23 -0.40 0.00 -0.06 -0.04 0.89 0.40 1g7pA1 ARG 202 H 0.05 0.61 0.27 -0.55 8.46 8.84 1g7pA1 ARG 202 HA 0.17 0.26 1.10 -0.75 4.34 5.11 1g7pA1 ARG 202 HB2 -0.18 -0.01 -0.17 -0.04 1.90 1.50 1g7pA1 ARG 202 HB3 0.03 -0.06 0.05 -0.04 1.80 1.78 1g7pA1 ARG 202 HG2 -0.76 -0.01 -0.38 -0.04 1.67 0.48 1g7pA1 ARG 202 HG3 -0.40 0.03 -0.20 -0.04 1.67 1.07 1g7pA1 ARG 202 HD2 -0.34 -0.02 -0.14 -0.04 3.22 2.68 1g7pA1 ARG 202 HD3 -2.13 0.00 -0.16 -0.04 3.22 0.89 1g7pA1 CYS 203 H 0.41 0.81 0.36 -0.55 8.50 9.54 1g7pA1 CYS 203 HA 0.16 0.18 0.94 -0.75 4.58 5.11 1g7pA1 CYS 203 HB2 -0.17 -0.03 -0.01 -0.04 2.97 2.72 1g7pA1 CYS 203 HB3 -0.04 -0.02 0.13 -0.04 2.97 3.00 1g7pA1 TRP 204 H 0.15 0.72 0.43 -0.55 7.97 8.71 1g7pA1 TRP 204 HA 0.16 0.24 1.10 -0.75 4.62 5.36 1g7pA1 TRP 204 HB2 -0.65 -0.00 0.14 -0.04 3.23 2.67 1g7pA1 TRP 204 HB3 0.04 0.02 -0.06 -0.04 3.23 3.19 1g7pA1 TRP 204 HD1 -0.28 0.08 -0.11 -0.04 7.22 6.87 1g7pA1 TRP 204 HE1 -0.10 -0.04 -0.12 -0.04 10.20 9.90 1g7pA1 TRP 204 HE3 0.22 0.06 -0.08 -0.04 7.59 7.75 1g7pA1 TRP 204 HZ2 -0.25 -0.02 -0.10 -0.04 7.44 7.03 1g7pA1 TRP 204 HZ3 0.28 0.01 -0.12 -0.04 7.13 7.26 1g7pA1 TRP 204 HH2 0.08 -0.00 -0.09 -0.04 7.19 7.13 1g7pA1 ALA 205 H 0.38 0.67 0.36 -0.55 8.40 9.27 1g7pA1 ALA 205 HA 0.21 0.16 0.76 -0.75 4.34 4.71 1g7pA1 ALA 205 HB3 0.11 -0.01 -0.05 -0.04 1.41 1.42 1g7pA1 LEU 206 H 0.28 0.62 0.29 -0.55 8.37 9.02 1g7pA1 LEU 206 HA 0.25 0.19 1.18 -0.75 4.35 5.22 1g7pA1 LEU 206 HB2 0.16 0.04 0.04 -0.04 1.64 1.84 1g7pA1 LEU 206 HB3 0.13 -0.05 0.10 -0.04 1.64 1.78 1g7pA1 LEU 206 HG 0.33 0.03 -0.23 -0.04 1.64 1.74 1g7pA1 LEU 206 HD13 0.10 -0.00 -0.08 -0.04 0.93 0.90 1g7pA1 LEU 206 HD23 0.34 0.03 -0.16 -0.04 0.89 1.05 1g7pA1 GLY 207 H 0.03 0.13 0.17 -0.55 8.43 8.22 1g7pA1 GLY 207 HA2 -0.00 -0.05 0.30 -0.51 4.01 3.74 1g7pA1 GLY 207 HA3 0.07 0.03 0.35 -0.51 4.01 3.95 1g7pA1 PHE 208 H -0.37 0.30 -0.08 -0.55 8.34 7.64 1g7pA1 PHE 208 HA 0.07 0.37 0.80 -0.75 4.62 5.11 1g7pA1 PHE 208 HB2 -0.51 0.08 -0.00 -0.04 3.15 2.68 1g7pA1 PHE 208 HB3 -0.19 -0.05 -0.27 -0.04 3.06 2.51 1g7pA1 PHE 208 HD2 0.07 0.14 -0.39 -0.04 7.28 7.05 1g7pA1 PHE 208 HE2 0.08 0.13 -0.19 -0.04 7.38 7.36 1g7pA1 PHE 208 HZ 0.10 -0.03 -0.33 -0.04 7.32 7.01 1g7pA1 TYR 209 H 0.44 0.60 0.28 -0.55 8.29 9.06 1g7pA1 TYR 209 HA 0.40 -0.06 0.33 -0.75 4.56 4.48 1g7pA1 TYR 209 HB2 0.23 0.07 -0.09 -0.04 3.06 3.23 1g7pA1 TYR 209 HB3 0.20 -0.08 -0.01 -0.04 2.98 3.05 1g7pA1 TYR 209 HD2 0.31 0.14 -0.11 -0.04 7.15 7.45 1g7pA1 TYR 209 HE2 0.26 0.09 -0.03 -0.04 6.85 7.13 1g7pA1 PRO 210 HA -1.39 0.09 0.35 -0.51 4.44 2.98 1g7pA1 PRO 210 HB2 -0.29 -0.16 0.13 -0.04 2.28 1.92 1g7pA1 PRO 210 HB3 -0.42 0.12 0.17 -0.04 2.02 1.86 1g7pA1 PRO 210 HG2 -0.17 -0.01 0.03 -0.04 2.03 1.83 1g7pA1 PRO 210 HG3 -0.12 0.09 0.11 -0.04 2.03 2.07 1g7pA1 PRO 210 HD2 0.03 0.06 0.48 -0.04 3.68 4.21 1g7pA1 PRO 210 HD3 0.08 0.29 0.22 -0.04 3.65 4.21 1g7pA1 ALA 211 H -0.50 0.09 0.10 -0.55 8.40 7.54 1g7pA1 ALA 211 HA -0.18 0.14 0.30 -0.75 4.34 3.84 1g7pA1 ALA 211 HB3 -1.01 0.00 0.01 -0.04 1.41 0.37 1g7pA1 ASP 212 H -0.14 -0.00 -0.16 -0.55 8.40 7.55 1g7pA1 ASP 212 HA -0.06 0.01 0.39 -0.75 4.63 4.22 1g7pA1 ASP 212 HB2 -0.10 -0.04 0.06 -0.04 2.71 2.59 1g7pA1 ASP 212 HB3 -0.12 0.00 0.03 -0.04 2.70 2.57 1g7pA1 ILE 213 H -0.03 0.24 0.28 -0.55 8.25 8.19 1g7pA1 ILE 213 HA -0.01 0.18 0.65 -0.75 4.18 4.24 1g7pA1 ILE 213 HB -0.33 0.14 -0.36 -0.04 1.89 1.31 1g7pA1 ILE 213 HG12 -0.15 -0.07 -0.08 -0.04 1.49 1.14 1g7pA1 ILE 213 HG13 -0.13 0.16 0.09 -0.04 1.21 1.29 1g7pA1 ILE 213 HG23 -0.08 -0.03 -0.22 -0.04 0.93 0.56 1g7pA1 ILE 213 HD13 -0.94 -0.02 -0.17 -0.04 0.88 -0.30 1g7pA1 THR 214 H 0.03 0.56 0.27 -0.55 8.28 8.59 1g7pA1 THR 214 HA -0.00 0.16 0.93 -0.75 4.39 4.72 1g7pA1 THR 214 HB 0.10 -0.05 0.10 -0.04 4.32 4.43 1g7pA1 THR 214 HG23 -0.05 -0.00 -0.16 -0.04 1.22 0.97 1g7pA1 LEU 215 H 0.01 0.24 0.12 -0.55 8.37 8.20 1g7pA1 LEU 215 HA 0.00 0.36 1.02 -0.75 4.35 4.98 1g7pA1 LEU 215 HB2 -0.01 -0.02 0.03 -0.04 1.64 1.60 1g7pA1 LEU 215 HB3 -0.04 0.01 -0.11 -0.04 1.64 1.45 1g7pA1 LEU 215 HG -0.04 -0.04 -0.28 -0.04 1.64 1.24 1g7pA1 LEU 215 HD13 0.02 0.02 -0.29 -0.04 0.93 0.64 1g7pA1 LEU 215 HD23 -0.07 0.02 -0.13 -0.04 0.89 0.67 1g7pA1 THR 216 H 0.00 0.60 0.32 -0.55 8.28 8.65 1g7pA1 THR 216 HA 0.10 0.18 0.87 -0.75 4.39 4.78 1g7pA1 THR 216 HB 0.12 -0.06 0.04 -0.04 4.32 4.37 1g7pA1 THR 216 HG23 0.07 0.01 -0.30 -0.04 1.22 0.96 1g7pA1 TRP 217 H 0.31 0.13 0.14 -0.55 7.97 8.00 1g7pA1 TRP 217 HA 0.17 0.33 1.00 -0.75 4.62 5.37 1g7pA1 TRP 217 HB2 0.10 -0.04 0.02 -0.04 3.23 3.27 1g7pA1 TRP 217 HB3 0.17 0.04 -0.09 -0.04 3.23 3.32 1g7pA1 TRP 217 HD1 0.07 -0.01 -0.32 -0.04 7.22 6.91 1g7pA1 TRP 217 HE1 0.05 0.34 -0.13 -0.04 10.20 10.42 1g7pA1 TRP 217 HE3 0.21 0.04 -0.20 -0.04 7.59 7.60 1g7pA1 TRP 217 HZ2 0.04 -0.07 -0.40 -0.04 7.44 6.97 1g7pA1 TRP 217 HZ3 0.17 0.13 -0.44 -0.04 7.13 6.95 1g7pA1 TRP 217 HH2 0.10 -0.04 -0.22 -0.04 7.19 6.99 1g7pA1 GLN 218 H 0.48 0.66 0.35 -0.55 8.47 9.41 1g7pA1 GLN 218 HA 0.20 0.34 1.02 -0.75 4.36 5.17 1g7pA1 GLN 218 HB2 0.36 0.06 -0.04 -0.04 2.15 2.50 1g7pA1 GLN 218 HB3 0.14 -0.15 -0.19 -0.04 2.02 1.78 1g7pA1 GLN 218 HG2 0.04 0.00 -0.52 -0.04 2.40 1.88 1g7pA1 GLN 218 HG3 0.08 -0.05 -0.47 -0.04 2.39 1.91 1g7pA1 GLN 218 HE21 -0.60 0.03 -0.14 -0.04 6.97 6.22 1g7pA1 GLN 218 HE22 -0.47 -0.04 -0.20 -0.04 7.69 6.94 1g7pA1 LEU 219 H 0.07 0.62 0.21 -0.55 8.37 8.73 1g7pA1 LEU 219 HA -0.13 0.33 0.86 -0.75 4.35 4.66 1g7pA1 LEU 219 HB2 -0.31 0.03 -0.11 -0.04 1.64 1.22 1g7pA1 LEU 219 HB3 -0.03 0.01 0.09 -0.04 1.64 1.68 1g7pA1 LEU 219 HG -0.11 -0.02 -0.21 -0.04 1.64 1.27 1g7pA1 LEU 219 HD13 -0.61 0.01 0.00 -0.04 0.93 0.29 1g7pA1 LEU 219 HD23 -0.07 -0.00 -0.04 -0.04 0.89 0.74 1g7pA1 ASN 220 H 0.00 0.35 0.17 -0.55 8.53 8.50 1g7pA1 ASN 220 HA 0.03 0.06 0.34 -0.75 4.76 4.44 1g7pA1 ASN 220 HB2 0.02 -0.01 -0.04 -0.04 2.88 2.81 1g7pA1 ASN 220 HB3 0.01 0.18 -0.00 -0.04 2.79 2.93 1g7pA1 ASN 220 HD21 0.01 -0.01 0.06 -0.04 7.03 7.05 1g7pA1 ASN 220 HD22 0.01 0.02 0.05 -0.04 7.74 7.78 1g7pA1 GLY 221 H 0.05 0.02 -0.51 -0.55 8.43 7.44 1g7pA1 GLY 221 HA2 0.03 0.00 0.18 -0.51 4.01 3.70 1g7pA1 GLY 221 HA3 0.02 0.17 0.58 -0.51 4.01 4.27 1g7pA1 GLU 222 H 0.03 0.57 -0.31 -0.55 8.60 8.34 1g7pA1 GLU 222 HA 0.02 0.12 0.83 -0.75 4.29 4.51 1g7pA1 GLU 222 HB2 0.02 0.01 0.01 -0.04 2.09 2.09 1g7pA1 GLU 222 HB3 0.03 0.11 0.16 -0.04 1.99 2.24 1g7pA1 GLU 222 HG2 0.04 0.19 -0.18 -0.04 2.34 2.35 1g7pA1 GLU 222 HG3 0.02 -0.05 0.07 -0.04 2.34 2.34 1g7pA1 GLU 223 H 0.02 0.14 0.18 -0.55 8.60 8.40 1g7pA1 GLU 223 HA 0.10 0.23 0.62 -0.75 4.29 4.48 1g7pA1 GLU 223 HB2 0.03 -0.02 0.14 -0.04 2.09 2.19 1g7pA1 GLU 223 HB3 0.05 -0.05 0.08 -0.04 1.99 2.03 1g7pA1 GLU 223 HG2 0.01 0.04 -0.07 -0.04 2.34 2.27 1g7pA1 GLU 223 HG3 -0.01 0.04 0.05 -0.04 2.34 2.38 1g7pA1 LEU 224 H 0.17 0.56 0.28 -0.55 8.37 8.83 1g7pA1 LEU 224 HA 0.08 0.17 0.89 -0.75 4.35 4.75 1g7pA1 LEU 224 HB2 0.22 0.02 0.09 -0.04 1.64 1.92 1g7pA1 LEU 224 HB3 0.11 -0.06 0.13 -0.04 1.64 1.78 1g7pA1 LEU 224 HG 0.19 0.12 -0.19 -0.04 1.64 1.72 1g7pA1 LEU 224 HD13 0.31 -0.01 -0.20 -0.04 0.93 0.99 1g7pA1 LEU 224 HD23 0.10 0.02 -0.12 -0.04 0.89 0.84 1g7pA1 ILE 225 H 0.07 0.19 -0.22 -0.55 8.25 7.74 1g7pA1 ILE 225 HA 0.08 0.10 0.42 -0.75 4.18 4.01 1g7pA1 ILE 225 HB 0.03 -0.01 0.06 -0.04 1.89 1.93 1g7pA1 ILE 225 HG12 0.01 0.04 0.03 -0.04 1.49 1.53 1g7pA1 ILE 225 HG13 0.04 0.07 0.07 -0.04 1.21 1.35 1g7pA1 ILE 225 HG23 0.01 0.02 -0.08 -0.04 0.93 0.84 1g7pA1 ILE 225 HD13 0.05 -0.03 0.01 -0.04 0.88 0.87 1g7pA1 GLN 226 H 0.04 0.04 -0.31 -0.55 8.47 7.69 1g7pA1 GLN 226 HA 0.02 0.14 0.50 -0.75 4.36 4.26 1g7pA1 GLN 226 HB2 0.02 -0.02 0.07 -0.04 2.15 2.17 1g7pA1 GLN 226 HB3 0.02 -0.02 0.05 -0.04 2.02 2.03 1g7pA1 GLN 226 HG2 0.01 0.04 -0.19 -0.04 2.40 2.22 1g7pA1 GLN 226 HG3 0.01 0.01 0.06 -0.04 2.39 2.42 1g7pA1 GLN 226 HE21 0.01 -0.01 -0.00 -0.04 6.97 6.92 1g7pA1 GLN 226 HE22 0.00 0.01 0.01 -0.04 7.69 7.67 1g7pA1 ASP 227 H 0.04 0.12 -0.17 -0.55 8.40 7.85 1g7pA1 ASP 227 HA 0.01 0.19 0.79 -0.75 4.63 4.86 1g7pA1 ASP 227 HB2 0.02 0.01 0.09 -0.04 2.71 2.80 1g7pA1 ASP 227 HB3 -0.01 -0.02 0.20 -0.04 2.70 2.84 1g7pA1 MET 228 H 0.04 0.16 -0.43 -0.55 8.47 7.70 1g7pA1 MET 228 HA 0.04 0.22 0.87 -0.75 4.52 4.90 1g7pA1 MET 228 HB2 0.11 0.14 0.12 -0.04 2.15 2.48 1g7pA1 MET 228 HB3 0.08 -0.00 0.01 -0.04 2.03 2.08 1g7pA1 MET 228 HG2 0.22 0.04 0.01 -0.04 2.63 2.86 1g7pA1 MET 228 HG3 0.27 0.01 -0.05 -0.04 2.56 2.75 1g7pA1 MET 228 HE3 0.09 0.02 -0.03 -0.04 2.10 2.14 1g7pA1 GLU 229 H 0.08 0.62 0.42 -0.55 8.60 9.17 1g7pA1 GLU 229 HA 0.00 0.17 0.90 -0.75 4.29 4.61 1g7pA1 GLU 229 HB2 0.05 0.04 -0.03 -0.04 2.09 2.10 1g7pA1 GLU 229 HB3 0.16 -0.08 0.07 -0.04 1.99 2.10 1g7pA1 GLU 229 HG2 0.10 0.02 -0.12 -0.04 2.34 2.29 1g7pA1 GLU 229 HG3 0.03 0.03 0.08 -0.04 2.34 2.43 1g7pA1 LEU 230 H -0.16 0.28 0.22 -0.55 8.37 8.16 1g7pA1 LEU 230 HA -0.82 0.09 0.63 -0.75 4.35 3.49 1g7pA1 LEU 230 HB2 -0.31 0.13 0.27 -0.04 1.64 1.69 1g7pA1 LEU 230 HB3 -0.12 -0.00 0.08 -0.04 1.64 1.56 1g7pA1 LEU 230 HG -0.08 -0.05 -0.22 -0.04 1.64 1.24 1g7pA1 LEU 230 HD13 -0.16 0.01 -0.28 -0.04 0.93 0.47 1g7pA1 LEU 230 HD23 -0.05 0.00 -0.05 -0.04 0.89 0.75 1g7pA1 VAL 231 H -0.87 0.40 0.32 -0.55 8.24 7.54 1g7pA1 VAL 231 HA -0.38 0.15 0.95 -0.75 4.13 4.10 1g7pA1 VAL 231 HB -0.30 0.08 0.09 -0.04 2.12 1.95 1g7pA1 VAL 231 HG13 -0.70 -0.01 -0.10 -0.04 0.97 0.11 1g7pA1 VAL 231 HG23 -0.88 0.03 0.02 -0.04 0.95 0.08 1g7pA1 GLU 232 H -0.15 0.09 0.14 -0.55 8.60 8.13 1g7pA1 GLU 232 HA -0.09 0.03 0.52 -0.75 4.29 4.00 1g7pA1 GLU 232 HB2 -0.05 0.00 0.08 -0.04 2.09 2.08 1g7pA1 GLU 232 HB3 -0.04 0.06 0.08 -0.04 1.99 2.05 1g7pA1 GLU 232 HG2 -0.06 0.01 0.04 -0.04 2.34 2.29 1g7pA1 GLU 232 HG3 -0.08 -0.04 0.09 -0.04 2.34 2.27 1g7pA1 THR 233 H -0.02 0.04 0.19 -0.55 8.28 7.95 1g7pA1 THR 233 HA 0.10 0.16 0.55 -0.75 4.39 4.45 1g7pA1 THR 233 HB 0.02 -0.09 0.11 -0.04 4.32 4.31 1g7pA1 THR 233 HG23 0.21 0.06 -0.08 -0.04 1.22 1.37 1g7pA1 ARG 234 H 0.17 0.56 0.42 -0.55 8.46 9.06 1g7pA1 ARG 234 HA 0.17 0.18 1.00 -0.75 4.34 4.94 1g7pA1 ARG 234 HB2 0.08 0.03 0.06 -0.04 1.90 2.03 1g7pA1 ARG 234 HB3 0.06 0.07 -0.13 -0.04 1.80 1.76 1g7pA1 ARG 234 HG2 0.12 0.13 0.12 -0.04 1.67 2.01 1g7pA1 ARG 234 HG3 0.12 -0.02 -0.12 -0.04 1.67 1.60 1g7pA1 ARG 234 HD2 0.10 -0.02 -0.04 -0.04 3.22 3.22 1g7pA1 ARG 234 HD3 0.05 0.06 -0.04 -0.04 3.22 3.25 1g7pA1 PRO 235 HA -0.60 0.21 0.65 -0.51 4.44 4.19 1g7pA1 PRO 235 HB2 -0.15 -0.11 0.08 -0.04 2.28 2.06 1g7pA1 PRO 235 HB3 -0.18 0.08 0.12 -0.04 2.02 2.00 1g7pA1 PRO 235 HG2 -0.00 0.02 0.12 -0.04 2.03 2.12 1g7pA1 PRO 235 HG3 0.04 0.04 0.09 -0.04 2.03 2.16 1g7pA1 PRO 235 HD2 0.07 0.11 0.26 -0.04 3.68 4.08 1g7pA1 PRO 235 HD3 0.18 0.16 0.20 -0.04 3.65 4.15 1g7pA1 ALA 236 H -0.29 0.53 0.32 -0.55 8.40 8.41 1g7pA1 ALA 236 HA -0.03 0.27 0.92 -0.75 4.34 4.74 1g7pA1 ALA 236 HB3 -0.06 0.00 -0.02 -0.04 1.41 1.29 1g7pA1 GLY 237 H -0.11 0.09 -0.07 -0.55 8.43 7.79 1g7pA1 GLY 237 HA2 -0.05 0.04 0.32 -0.51 4.01 3.81 1g7pA1 GLY 237 HA3 -0.04 0.20 0.51 -0.51 4.01 4.17 1g7pA1 ASP 238 H -0.09 -0.02 -0.19 -0.55 8.40 7.55 1g7pA1 ASP 238 HA -0.04 0.27 0.91 -0.75 4.63 5.01 1g7pA1 ASP 238 HB2 -0.03 0.03 0.15 -0.04 2.71 2.83 1g7pA1 ASP 238 HB3 -0.03 0.07 -0.12 -0.04 2.70 2.57 1g7pA1 GLY 239 H -0.12 0.00 0.05 -0.55 8.43 7.82 1g7pA1 GLY 239 HA2 -0.05 0.02 0.35 -0.51 4.01 3.81 1g7pA1 GLY 239 HA3 -0.04 0.21 0.70 -0.51 4.01 4.38 1g7pA1 THR 240 H -0.15 -0.15 -0.15 -0.55 8.28 7.28 1g7pA1 THR 240 HA 0.14 0.36 0.83 -0.75 4.39 4.96 1g7pA1 THR 240 HB -0.02 0.04 -0.14 -0.04 4.32 4.16 1g7pA1 THR 240 HG23 0.04 0.04 -0.27 -0.04 1.22 0.98 1g7pA1 PHE 241 H -0.17 0.65 0.25 -0.55 8.34 8.52 1g7pA1 PHE 241 HA -0.17 0.17 1.05 -0.75 4.62 4.92 1g7pA1 PHE 241 HB2 -0.69 0.08 -0.08 -0.04 3.15 2.42 1g7pA1 PHE 241 HB3 -0.24 0.01 0.03 -0.04 3.06 2.82 1g7pA1 PHE 241 HD2 0.02 0.10 -0.33 -0.04 7.28 7.03 1g7pA1 PHE 241 HE2 0.18 0.03 -0.08 -0.04 7.38 7.47 1g7pA1 PHE 241 HZ 0.15 0.28 0.06 -0.04 7.32 7.77 1g7pA1 GLN 242 H 0.04 0.58 0.39 -0.55 8.47 8.94 1g7pA1 GLN 242 HA 0.11 0.24 0.74 -0.75 4.36 4.69 1g7pA1 GLN 242 HB2 0.34 0.08 0.24 -0.04 2.15 2.77 1g7pA1 GLN 242 HB3 0.09 -0.10 -0.06 -0.04 2.02 1.91 1g7pA1 GLN 242 HG2 0.13 0.03 -0.11 -0.04 2.40 2.41 1g7pA1 GLN 242 HG3 0.25 -0.01 -0.23 -0.04 2.39 2.36 1g7pA1 GLN 242 HE21 0.17 -0.01 -0.05 -0.04 6.97 7.03 1g7pA1 GLN 242 HE22 0.15 -0.04 -0.04 -0.04 7.69 7.72 1g7pA1 LYS 243 H 0.42 0.57 0.40 -0.55 8.42 9.25 1g7pA1 LYS 243 HA 0.07 0.11 0.54 -0.75 4.32 4.28 1g7pA1 LYS 243 HB2 0.28 0.04 -0.23 -0.04 1.87 1.92 1g7pA1 LYS 243 HB3 0.19 -0.04 -0.08 -0.04 1.79 1.81 1g7pA1 LYS 243 HG2 -0.08 0.03 0.03 -0.04 1.46 1.39 1g7pA1 LYS 243 HG3 -0.06 0.16 0.01 -0.04 1.46 1.53 1g7pA1 LYS 243 HD2 0.05 -0.02 -0.05 -0.04 1.69 1.63 1g7pA1 LYS 243 HD3 -0.00 -0.07 -0.13 -0.04 1.68 1.43 1g7pA1 LYS 243 HE2 -0.04 -0.05 0.01 -0.04 2.99 2.87 1g7pA1 LYS 243 HE3 -0.09 0.04 0.02 -0.04 2.99 2.91 1g7pA1 TRP 244 H -0.35 0.26 0.25 -0.55 7.97 7.59 1g7pA1 TRP 244 HA -0.26 0.38 0.84 -0.75 4.62 4.82 1g7pA1 TRP 244 HB2 -0.98 0.03 -0.01 -0.04 3.23 2.23 1g7pA1 TRP 244 HB3 -1.49 -0.01 -0.06 -0.04 3.23 1.63 1g7pA1 TRP 244 HD1 -0.72 0.01 -0.15 -0.04 7.22 6.32 1g7pA1 TRP 244 HE1 -0.10 0.02 -0.09 -0.04 10.20 9.99 1g7pA1 TRP 244 HE3 -0.20 0.04 -0.54 -0.04 7.59 6.84 1g7pA1 TRP 244 HZ2 -0.06 0.01 -0.13 -0.04 7.44 7.22 1g7pA1 TRP 244 HZ3 -0.08 0.01 -0.25 -0.04 7.13 6.77 1g7pA1 TRP 244 HH2 -0.07 0.01 -0.18 -0.04 7.19 6.91 1g7pA1 ALA 245 H 0.24 0.53 0.35 -0.55 8.40 8.98 1g7pA1 ALA 245 HA 0.15 0.25 0.97 -0.75 4.34 4.95 1g7pA1 ALA 245 HB3 0.16 -0.01 -0.05 -0.04 1.41 1.48 1g7pA1 SER 246 H 0.33 0.86 0.45 -0.55 8.46 9.56 1g7pA1 SER 246 HA 0.20 0.30 1.23 -0.75 4.49 5.46 1g7pA1 SER 246 HB2 -0.06 0.03 0.01 -0.04 3.95 3.88 1g7pA1 SER 246 HB3 0.09 -0.09 -0.13 -0.04 3.93 3.76 1g7pA1 VAL 247 H -0.47 0.53 0.41 -0.55 8.24 8.17 1g7pA1 VAL 247 HA -0.21 0.24 0.81 -0.75 4.13 4.22 1g7pA1 VAL 247 HB -0.47 0.01 -0.15 -0.04 2.12 1.47 1g7pA1 VAL 247 HG13 -1.27 -0.01 -0.10 -0.04 0.97 -0.44 1g7pA1 VAL 247 HG23 -0.21 0.06 -0.06 -0.04 0.95 0.70 1g7pA1 VAL 248 H -0.20 0.26 0.20 -0.55 8.24 7.95 1g7pA1 VAL 248 HA -0.29 0.28 1.03 -0.75 4.13 4.40 1g7pA1 VAL 248 HB -0.13 -0.00 0.14 -0.04 2.12 2.09 1g7pA1 VAL 248 HG13 -0.14 -0.00 -0.17 -0.04 0.97 0.61 1g7pA1 VAL 248 HG23 -0.12 -0.01 -0.08 -0.04 0.95 0.71 1g7pA1 VAL 249 H -0.35 0.66 0.37 -0.55 8.24 8.37 1g7pA1 VAL 249 HA -0.27 0.24 0.95 -0.75 4.13 4.29 1g7pA1 VAL 249 HB -0.63 0.06 0.01 -0.04 2.12 1.53 1g7pA1 VAL 249 HG13 -1.28 0.01 -0.32 -0.04 0.97 -0.65 1g7pA1 VAL 249 HG23 -0.42 0.01 -0.19 -0.04 0.95 0.31 1g7pA1 PRO 250 HA -0.07 0.19 0.65 -0.51 4.44 4.70 1g7pA1 PRO 250 HB2 -0.02 -0.03 0.01 -0.04 2.28 2.20 1g7pA1 PRO 250 HB3 -0.03 0.09 0.11 -0.04 2.02 2.15 1g7pA1 PRO 250 HG2 0.00 0.04 0.07 -0.04 2.03 2.10 1g7pA1 PRO 250 HG3 -0.03 0.07 0.06 -0.04 2.03 2.08 1g7pA1 PRO 250 HD2 0.03 0.09 0.16 -0.04 3.68 3.93 1g7pA1 PRO 250 HD3 -0.05 0.18 0.22 -0.04 3.65 3.95 1g7pA1 LEU 251 H -0.05 0.35 -0.02 -0.55 8.37 8.11 1g7pA1 LEU 251 HA -0.03 -0.02 0.34 -0.75 4.35 3.88 1g7pA1 LEU 251 HB2 -0.03 0.03 -0.09 -0.04 1.64 1.50 1g7pA1 LEU 251 HB3 -0.01 0.03 0.03 -0.04 1.64 1.65 1g7pA1 LEU 251 HG 0.03 0.02 -0.20 -0.04 1.64 1.45 1g7pA1 LEU 251 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.88 1g7pA1 LEU 251 HD23 0.01 0.01 -0.03 -0.04 0.89 0.84 1g7pA1 GLY 252 H 0.07 0.08 0.16 -0.55 8.43 8.20 1g7pA1 GLY 252 HA2 0.13 0.00 0.36 -0.51 4.01 3.99 1g7pA1 GLY 252 HA3 0.07 0.21 0.62 -0.51 4.01 4.39 1g7pA1 LYS 253 H 0.07 0.46 -0.24 -0.55 8.42 8.15 1g7pA1 LYS 253 HA 0.18 0.20 0.89 -0.75 4.32 4.83 1g7pA1 LYS 253 HB2 0.05 0.14 -0.01 -0.04 1.87 2.01 1g7pA1 LYS 253 HB3 -0.04 -0.05 0.16 -0.04 1.79 1.83 1g7pA1 LYS 253 HG2 -0.03 0.04 -0.39 -0.04 1.46 1.04 1g7pA1 LYS 253 HG3 -0.10 -0.00 -0.07 -0.04 1.46 1.24 1g7pA1 LYS 253 HD2 -0.72 -0.04 0.02 -0.04 1.69 0.90 1g7pA1 LYS 253 HD3 -0.11 0.11 0.01 -0.04 1.68 1.66 1g7pA1 LYS 253 HE2 -0.05 0.02 -0.07 -0.04 2.99 2.85 1g7pA1 LYS 253 HE3 -0.15 -0.01 -0.03 -0.04 2.99 2.75 1g7pA1 GLU 254 H 0.23 0.07 -0.08 -0.55 8.60 8.27 1g7pA1 GLU 254 HA 0.17 0.15 0.43 -0.75 4.29 4.28 1g7pA1 GLU 254 HB2 0.55 0.02 0.01 -0.04 2.09 2.63 1g7pA1 GLU 254 HB3 0.22 0.03 0.05 -0.04 1.99 2.24 1g7pA1 GLU 254 HG2 -0.37 0.04 -0.05 -0.04 2.34 1.92 1g7pA1 GLU 254 HG3 -0.13 0.08 -0.07 -0.04 2.34 2.18 1g7pA1 GLN 255 H 0.39 0.08 -0.28 -0.55 8.47 8.11 1g7pA1 GLN 255 HA 0.27 0.15 0.42 -0.75 4.36 4.45 1g7pA1 GLN 255 HB2 0.16 0.01 -0.04 -0.04 2.15 2.24 1g7pA1 GLN 255 HB3 0.05 0.05 0.07 -0.04 2.02 2.15 1g7pA1 GLN 255 HG2 0.26 -0.11 -0.02 -0.04 2.40 2.50 1g7pA1 GLN 255 HG3 0.11 0.03 -0.01 -0.04 2.39 2.48 1g7pA1 GLN 255 HE21 -0.07 0.11 -0.05 -0.04 6.97 6.92 1g7pA1 GLN 255 HE22 0.00 -0.03 -0.02 -0.04 7.69 7.60 1g7pA1 TYR 256 H 0.61 0.26 -0.52 -0.55 8.29 8.08 1g7pA1 TYR 256 HA 0.06 0.13 0.64 -0.75 4.56 4.63 1g7pA1 TYR 256 HB2 -0.01 0.16 0.07 -0.04 3.06 3.24 1g7pA1 TYR 256 HB3 -0.13 -0.09 0.14 -0.04 2.98 2.86 1g7pA1 TYR 256 HD2 0.06 -0.09 -0.04 -0.04 7.15 7.04 1g7pA1 TYR 256 HE2 0.05 0.01 -0.00 -0.04 6.85 6.86 1g7pA1 TYR 257 H 0.51 0.32 -0.24 -0.55 8.29 8.33 1g7pA1 TYR 257 HA 0.28 0.37 1.10 -0.75 4.56 5.54 1g7pA1 TYR 257 HB2 0.18 0.02 0.11 -0.04 3.06 3.33 1g7pA1 TYR 257 HB3 0.32 -0.03 -0.01 -0.04 2.98 3.23 1g7pA1 TYR 257 HD2 0.10 0.00 -0.05 -0.04 7.15 7.17 1g7pA1 TYR 257 HE2 -0.01 0.03 -0.05 -0.04 6.85 6.78 1g7pA1 THR 258 H 0.44 0.40 0.33 -0.55 8.28 8.90 1g7pA1 THR 258 HA 0.18 0.36 1.11 -0.75 4.39 5.29 1g7pA1 THR 258 HB -0.20 0.05 -0.05 -0.04 4.32 4.08 1g7pA1 THR 258 HG23 0.09 0.00 -0.31 -0.04 1.22 0.96 1g7pA1 CYS 259 H -0.38 0.64 0.33 -0.55 8.50 8.54 1g7pA1 CYS 259 HA -0.89 0.26 0.99 -0.75 4.58 4.18 1g7pA1 CYS 259 HB2 -1.77 -0.03 -0.04 -0.04 2.97 1.09 1g7pA1 CYS 259 HB3 -0.55 -0.09 0.05 -0.04 2.97 2.34 1g7pA1 HIS 260 H -0.17 0.68 0.35 -0.55 8.41 8.73 1g7pA1 HIS 260 HA -0.24 0.50 1.06 -0.75 4.63 5.19 1g7pA1 HIS 260 HB2 0.02 -0.11 0.03 -0.04 3.26 3.16 1g7pA1 HIS 260 HB3 -0.34 0.03 -0.07 -0.04 3.20 2.78 1g7pA1 HIS 260 HD2 -0.01 0.05 -0.31 -0.04 6.97 6.66 1g7pA1 HIS 260 HE1 -0.01 0.00 -0.14 -0.04 7.75 7.56 1g7pA1 VAL 261 H -0.29 0.55 0.25 -0.55 8.24 8.20 1g7pA1 VAL 261 HA -0.09 0.34 1.14 -0.75 4.13 4.77 1g7pA1 VAL 261 HB -0.13 -0.08 0.11 -0.04 2.12 1.97 1g7pA1 VAL 261 HG13 -0.11 0.00 -0.18 -0.04 0.97 0.64 1g7pA1 VAL 261 HG23 -0.13 0.01 -0.28 -0.04 0.95 0.51 1g7pA1 TYR 262 H 0.16 0.67 0.33 -0.55 8.29 8.89 1g7pA1 TYR 262 HA -0.00 0.18 0.95 -0.75 4.56 4.93 1g7pA1 TYR 262 HB2 -0.04 -0.08 0.09 -0.04 3.06 3.00 1g7pA1 TYR 262 HB3 -0.03 0.05 -0.01 -0.04 2.98 2.95 1g7pA1 TYR 262 HD2 -0.02 0.11 -0.10 -0.04 7.15 7.11 1g7pA1 TYR 262 HE2 -0.01 -0.00 -0.15 -0.04 6.85 6.64 1g7pA1 HIS 263 H 0.10 0.39 0.16 -0.55 8.41 8.52 1g7pA1 HIS 263 HA -0.04 0.14 0.60 -0.75 4.63 4.57 1g7pA1 HIS 263 HB2 -0.17 0.08 -0.30 -0.04 3.26 2.84 1g7pA1 HIS 263 HB3 -0.06 -0.01 -0.14 -0.04 3.20 2.94 1g7pA1 HIS 263 HD2 -0.27 0.12 0.08 -0.04 6.97 6.84 1g7pA1 HIS 263 HE1 0.15 0.28 -0.23 -0.04 7.75 7.91 1g7pA1 GLN 264 H -0.83 0.26 0.10 -0.55 8.47 7.45 1g7pA1 GLN 264 HA -0.10 0.07 0.35 -0.75 4.36 3.93 1g7pA1 GLN 264 HB2 -0.27 -0.03 0.12 -0.04 2.15 1.94 1g7pA1 GLN 264 HB3 -0.36 0.06 0.09 -0.04 2.02 1.76 1g7pA1 GLN 264 HG2 -0.01 0.03 -0.12 -0.04 2.40 2.25 1g7pA1 GLN 264 HG3 -0.06 -0.03 0.06 -0.04 2.39 2.33 1g7pA1 GLN 264 HE21 0.06 0.08 -0.01 -0.04 6.97 7.05 1g7pA1 GLN 264 HE22 0.06 -0.01 -0.06 -0.04 7.69 7.64 1g7pA1 GLY 265 H 0.54 0.04 -0.44 -0.55 8.43 8.02 1g7pA1 GLY 265 HA2 0.12 0.17 0.55 -0.51 4.01 4.35 1g7pA1 GLY 265 HA3 0.25 -0.00 0.13 -0.51 4.01 3.88 1g7pA1 LEU 266 H 0.10 0.56 -0.48 -0.55 8.37 8.00 1g7pA1 LEU 266 HA 0.04 0.20 0.90 -0.75 4.35 4.74 1g7pA1 LEU 266 HB2 0.04 -0.10 0.11 -0.04 1.64 1.65 1g7pA1 LEU 266 HB3 0.00 0.17 -0.08 -0.04 1.64 1.68 1g7pA1 LEU 266 HG 0.08 -0.13 -0.30 -0.04 1.64 1.24 1g7pA1 LEU 266 HD13 -0.04 -0.05 -0.13 -0.04 0.93 0.67 1g7pA1 LEU 266 HD23 0.01 0.09 -0.02 -0.04 0.89 0.93 1g7pA1 PRO 267 HA 0.02 0.05 0.37 -0.51 4.44 4.37 1g7pA1 PRO 267 HB2 0.01 -0.02 0.04 -0.04 2.28 2.28 1g7pA1 PRO 267 HB3 0.02 -0.01 0.07 -0.04 2.02 2.05 1g7pA1 PRO 267 HG2 0.02 0.01 0.05 -0.04 2.03 2.07 1g7pA1 PRO 267 HG3 0.03 0.05 0.02 -0.04 2.03 2.09 1g7pA1 PRO 267 HD2 0.03 0.08 0.16 -0.04 3.68 3.91 1g7pA1 PRO 267 HD3 0.04 0.28 -0.20 -0.04 3.65 3.73 1g7pA1 GLU 268 H 0.01 0.17 -0.30 -0.55 8.60 7.94 1g7pA1 GLU 268 HA 0.01 0.17 0.79 -0.75 4.29 4.50 1g7pA1 GLU 268 HB2 -0.00 -0.05 0.04 -0.04 2.09 2.04 1g7pA1 GLU 268 HB3 -0.00 0.04 0.03 -0.04 1.99 2.01 1g7pA1 GLU 268 HG2 0.01 0.09 -0.06 -0.04 2.34 2.34 1g7pA1 GLU 268 HG3 0.01 -0.10 -0.36 -0.04 2.34 1.85 1g7pA1 PRO 269 HA -0.15 0.14 0.57 -0.51 4.44 4.49 1g7pA1 PRO 269 HB2 -0.24 -0.04 -0.05 -0.04 2.28 1.91 1g7pA1 PRO 269 HB3 -0.83 0.03 -0.04 -0.04 2.02 1.13 1g7pA1 PRO 269 HG2 0.12 -0.02 0.02 -0.04 2.03 2.11 1g7pA1 PRO 269 HG3 0.07 0.03 0.07 -0.04 2.03 2.16 1g7pA1 PRO 269 HD2 0.01 0.04 0.16 -0.04 3.68 3.85 1g7pA1 PRO 269 HD3 0.03 0.23 0.16 -0.04 3.65 4.03 1g7pA1 LEU 270 H -0.18 0.38 0.35 -0.55 8.37 8.37 1g7pA1 LEU 270 HA -0.09 0.14 0.68 -0.75 4.35 4.33 1g7pA1 LEU 270 HB2 -0.13 -0.11 0.11 -0.04 1.64 1.47 1g7pA1 LEU 270 HB3 -0.09 -0.01 0.00 -0.04 1.64 1.51 1g7pA1 LEU 270 HG -0.06 0.04 0.07 -0.04 1.64 1.65 1g7pA1 LEU 270 HD13 -0.03 0.02 -0.04 -0.04 0.93 0.84 1g7pA1 LEU 270 HD23 -0.03 0.03 0.02 -0.04 0.89 0.86 1g7pA1 THR 271 H -0.11 0.24 0.17 -0.55 8.28 8.03 1g7pA1 THR 271 HA -0.43 0.36 0.97 -0.75 4.39 4.54 1g7pA1 THR 271 HB -0.10 -0.03 0.11 -0.04 4.32 4.26 1g7pA1 THR 271 HG23 -0.21 -0.02 -0.18 -0.04 1.22 0.77 1g7pA1 LEU 272 H -0.30 0.60 0.30 -0.55 8.37 8.43 1g7pA1 LEU 272 HA -0.05 0.23 1.04 -0.75 4.35 4.81 1g7pA1 LEU 272 HB2 -0.14 -0.07 -0.04 -0.04 1.64 1.35 1g7pA1 LEU 272 HB3 0.01 0.02 0.00 -0.04 1.64 1.62 1g7pA1 LEU 272 HG -0.04 0.09 -0.20 -0.04 1.64 1.45 1g7pA1 LEU 272 HD13 -0.14 -0.03 -0.33 -0.04 0.93 0.38 1g7pA1 LEU 272 HD23 0.03 -0.01 -0.29 -0.04 0.89 0.58 1g7pA1 ARG 273 H 0.05 0.29 0.23 -0.55 8.46 8.48 1g7pA1 ARG 273 HA 0.25 0.21 0.84 -0.75 4.34 4.87 1g7pA1 ARG 273 HB2 0.07 -0.03 0.00 -0.04 1.90 1.90 1g7pA1 ARG 273 HB3 0.16 0.07 0.07 -0.04 1.80 2.07 1g7pA1 ARG 273 HG2 0.11 0.16 -0.10 -0.04 1.67 1.80 1g7pA1 ARG 273 HG3 0.02 -0.15 -0.57 -0.04 1.67 0.93 1g7pA1 ARG 273 HD2 0.02 -0.03 -0.12 -0.04 3.22 3.05 1g7pA1 ARG 273 HD3 0.02 -0.04 -0.08 -0.04 3.22 3.07 1g7pA1 TRP 274 H 0.47 0.22 0.02 -0.55 7.97 8.14 1g7pA1 TRP 274 HA 0.13 0.16 0.33 -0.75 4.62 4.49 1g7pA1 TRP 274 HB2 0.20 0.03 -0.03 -0.04 3.23 3.38 1g7pA1 TRP 274 HB3 0.16 -0.00 -0.00 -0.04 3.23 3.34 1g7pA1 TRP 274 HD1 0.12 0.09 -0.15 -0.04 7.22 7.25 1g7pA1 TRP 274 HE1 -0.01 0.01 -0.02 -0.04 10.20 10.14 1g7pA1 TRP 274 HE3 0.11 -0.05 -0.08 -0.04 7.59 7.53 1g7pA1 TRP 274 HZ2 -0.38 0.02 -0.02 -0.04 7.44 7.03 1g7pA1 TRP 274 HZ3 0.03 -0.06 -0.02 -0.04 7.13 7.03 1g7pA1 TRP 274 HH2 -0.18 0.00 -0.02 -0.04 7.19 6.95