============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 2 1.000 36.995 13.273 13.458 -99.200 -91.000 TYR 36 0.840 10.750 10.723 -18.443 -99.200 -91.000 TYR 55 0.840 2.271 -9.541 -5.374 -99.200 -91.000 TYR 65 0.840 19.917 -9.092 8.686 -99.200 -91.000 PHE 74 1.000 17.638 -7.230 -8.965 -99.200 -91.000 PHE 83 1.000 24.721 -12.216 -19.787 -99.200 -91.000 PHE 113 1.000 35.899 -10.736 -8.355 -99.200 -91.000 TRP 124 1.040 43.494 0.543 -20.623 -99.200 -91.000 TRP6 124 1.020 44.839 2.163 -21.705 -99.200 -91.000 TRP 130 1.040 28.555 8.764 -14.731 -99.200 -91.000 TRP6 130 1.020 28.561 7.159 -12.996 -99.200 -91.000 HIS 133 0.900 32.324 4.756 -15.814 -99.200 -91.000 PHE 137 1.000 36.308 0.936 -12.233 -99.200 -91.000 TYR 147 0.840 38.097 3.424 -24.237 -99.200 -91.000 TYR 149 0.840 33.130 6.333 -27.345 -99.200 -91.000 TYR 150 0.840 31.766 13.772 -29.147 -99.200 -91.000 HIS 155 0.900 29.767 18.364 -33.074 -99.200 -91.000 PHE 159 1.000 35.828 0.815 -34.530 -99.200 -91.000 PHE 177 1.000 34.673 -1.829 -24.597 -99.200 -91.000 HIS 178 0.900 29.845 4.816 -20.659 -99.200 -91.000 HIS 182 0.900 30.389 7.498 -23.993 -99.200 -91.000 TRP 194 1.040 28.313 -2.238 -29.548 -99.200 -91.000 TRP6 194 1.020 29.561 -1.737 -27.598 -99.200 -91.000 TRP 206 1.040 42.529 -5.284 -24.290 -99.200 -91.000 TRP6 206 1.020 41.558 -4.294 -26.205 -99.200 -91.000 PHE 210 1.000 30.068 -4.571 -22.646 -99.200 -91.000 PHE 212 1.000 22.891 -2.749 -21.164 -99.200 -91.000 TYR 214 0.840 21.380 6.326 -18.938 -99.200 -91.000 PHE 217 1.000 15.695 5.494 -20.398 -99.200 -91.000 PHE 231 1.000 33.001 -6.591 -26.246 -99.200 -91.000 HIS 235 0.900 35.510 -10.946 -24.752 -99.200 -91.000 TYR 244 0.840 17.211 -3.821 -13.165 -99.200 -91.000 PHE 248 1.000 12.081 -1.998 -13.968 -99.200 -91.000 TYR 251 0.840 15.618 8.261 -11.493 -99.200 -91.000 PHE 272 1.000 27.942 -14.426 -6.950 -99.200 -91.000 TYR 283 0.840 26.142 -3.890 -0.244 -99.200 -91.000 HIS 289 0.900 9.673 -0.899 -1.541 -99.200 -91.000 TRP 307 1.040 9.504 -1.306 -16.843 -99.200 -91.000 TRP6 307 1.020 10.833 -2.889 -17.996 -99.200 -91.000 PHE 325 1.000 18.693 21.887 -26.986 -99.200 -91.000 PHE 338 1.000 23.898 24.352 -31.084 -99.200 -91.000 PHE 340 1.000 26.384 18.781 -32.374 -99.200 -91.000 PHE 348 1.000 22.777 12.463 -19.403 -99.200 -91.000 PHE 350 1.000 30.303 15.919 -24.502 -99.200 -91.000 PHE 365 1.000 20.999 34.219 -19.926 -99.200 -91.000 TYR 368 0.840 21.782 25.994 -11.405 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d63A1 MET 5 HA -0.09 -0.01 0.19 -0.75 4.52 3.86 2d63A1 MET 5 HB2 -0.23 0.01 0.06 -0.04 2.15 1.95 2d63A1 MET 5 HB3 -0.65 -0.00 -0.03 -0.04 2.03 1.31 2d63A1 MET 5 HG2 -0.00 0.02 -0.06 -0.04 2.63 2.54 2d63A1 MET 5 HG3 -0.02 -0.02 0.10 -0.04 2.56 2.58 2d63A1 MET 5 HE3 -0.06 -0.00 0.03 -0.04 2.10 2.02 2d63A1 PHE 6 H -0.23 0.23 0.10 -0.55 8.34 7.89 2d63A1 PHE 6 HA -0.00 0.20 0.85 -0.75 4.62 4.91 2d63A1 PHE 6 HB2 -0.00 0.02 0.04 -0.04 3.15 3.16 2d63A1 PHE 6 HB3 -0.00 0.01 0.14 -0.04 3.06 3.16 2d63A1 PHE 6 HD2 -0.00 0.05 -0.14 -0.04 7.28 7.15 2d63A1 PHE 6 HE2 -0.00 0.01 -0.04 -0.04 7.38 7.30 2d63A1 PHE 6 HZ -0.00 0.00 -0.03 -0.04 7.32 7.26 2d63A1 GLU 7 H 0.04 0.15 -0.14 -0.55 8.60 8.09 2d63A1 GLU 7 HA 0.05 0.07 0.33 -0.75 4.29 3.99 2d63A1 GLU 7 HB2 0.01 -0.03 0.03 -0.04 2.09 2.07 2d63A1 GLU 7 HB3 0.02 0.03 -0.02 -0.04 1.99 1.97 2d63A1 GLU 7 HG2 -0.00 0.01 0.02 -0.04 2.34 2.33 2d63A1 GLU 7 HG3 0.01 -0.02 0.05 -0.04 2.34 2.34 2d63A1 ASN 8 H 0.04 0.08 -0.24 -0.55 8.53 7.87 2d63A1 ASN 8 HA 0.02 0.25 0.81 -0.75 4.76 5.10 2d63A1 ASN 8 HB2 0.02 -0.00 0.00 -0.04 2.88 2.86 2d63A1 ASN 8 HB3 0.02 -0.00 0.11 -0.04 2.79 2.88 2d63A1 ASN 8 HD21 0.01 -0.02 -0.03 -0.04 7.03 6.94 2d63A1 ASN 8 HD22 0.01 0.01 0.00 -0.04 7.74 7.72 2d63A1 ILE 9 H 0.07 0.31 -0.40 -0.55 8.25 7.68 2d63A1 ILE 9 HA 0.03 -0.02 0.40 -0.75 4.18 3.84 2d63A1 ILE 9 HB 0.03 0.08 0.07 -0.04 1.89 2.03 2d63A1 ILE 9 HG12 0.05 -0.01 0.03 -0.04 1.49 1.53 2d63A1 ILE 9 HG13 0.13 -0.06 0.06 -0.04 1.21 1.30 2d63A1 ILE 9 HG23 -0.03 0.00 -0.12 -0.04 0.93 0.75 2d63A1 ILE 9 HD13 -0.02 -0.00 0.03 -0.04 0.88 0.85 2d63A1 THR 10 H 0.00 0.06 0.17 -0.55 8.28 7.97 2d63A1 THR 10 HA 0.00 0.14 0.68 -0.75 4.39 4.46 2d63A1 THR 10 HB -0.00 0.03 0.07 -0.04 4.32 4.38 2d63A1 THR 10 HG23 -0.01 -0.02 -0.02 -0.04 1.22 1.13 2d63A1 THR 11 H -0.01 0.11 0.12 -0.55 8.28 7.95 2d63A1 THR 11 HA -0.02 0.03 0.44 -0.75 4.39 4.09 2d63A1 THR 11 HB -0.01 -0.04 0.09 -0.04 4.32 4.32 2d63A1 THR 11 HG23 -0.01 0.05 -0.08 -0.04 1.22 1.14 2d63A1 ALA 12 H -0.02 0.07 0.16 -0.55 8.40 8.06 2d63A1 ALA 12 HA -0.02 0.11 0.43 -0.75 4.34 4.10 2d63A1 ALA 12 HB3 -0.03 -0.00 0.07 -0.04 1.41 1.41 2d63A1 PRO 13 HA -0.02 0.04 0.46 -0.51 4.44 4.41 2d63A1 PRO 13 HB2 -0.03 0.00 -0.01 -0.04 2.28 2.20 2d63A1 PRO 13 HB3 -0.02 0.00 0.08 -0.04 2.02 2.04 2d63A1 PRO 13 HG2 -0.02 0.01 0.06 -0.04 2.03 2.04 2d63A1 PRO 13 HG3 -0.02 0.09 0.06 -0.04 2.03 2.12 2d63A1 PRO 13 HD2 -0.03 0.05 0.17 -0.04 3.68 3.84 2d63A1 PRO 13 HD3 -0.02 0.17 0.22 -0.04 3.65 3.98 2d63A1 ALA 14 H -0.02 0.09 0.12 -0.55 8.40 8.05 2d63A1 ALA 14 HA -0.03 0.07 0.42 -0.75 4.34 4.05 2d63A1 ALA 14 HB3 -0.01 0.01 0.04 -0.04 1.41 1.40 2d63A1 ASP 15 H -0.04 0.10 0.13 -0.55 8.40 8.05 2d63A1 ASP 15 HA -0.07 0.24 0.57 -0.75 4.63 4.62 2d63A1 ASP 15 HB2 -0.07 0.20 0.10 -0.04 2.71 2.90 2d63A1 ASP 15 HB3 -0.05 -0.17 0.15 -0.04 2.70 2.59 2d63A1 PRO 16 HA -0.02 0.15 0.36 -0.51 4.44 4.42 2d63A1 PRO 16 HB2 -0.04 -0.03 0.04 -0.04 2.28 2.20 2d63A1 PRO 16 HB3 -0.04 0.12 0.12 -0.04 2.02 2.18 2d63A1 PRO 16 HG2 -0.12 -0.10 0.07 -0.04 2.03 1.84 2d63A1 PRO 16 HG3 -0.09 0.10 0.09 -0.04 2.03 2.09 2d63A1 PRO 16 HD2 -0.11 0.03 0.23 -0.04 3.68 3.79 2d63A1 PRO 16 HD3 -0.07 0.33 0.22 -0.04 3.65 4.08 2d63A1 ILE 17 H -0.07 -0.02 -0.32 -0.55 8.25 7.28 2d63A1 ILE 17 HA 0.00 0.29 0.95 -0.75 4.18 4.67 2d63A1 ILE 17 HB -0.07 -0.07 0.09 -0.04 1.89 1.79 2d63A1 ILE 17 HG12 -0.01 0.09 -0.10 -0.04 1.49 1.43 2d63A1 ILE 17 HG13 -0.08 -0.06 -0.21 -0.04 1.21 0.82 2d63A1 ILE 17 HG23 0.07 0.02 -0.18 -0.04 0.93 0.80 2d63A1 ILE 17 HD13 -0.05 0.00 -0.02 -0.04 0.88 0.77 2d63A1 LEU 18 H -0.05 0.07 0.05 -0.55 8.37 7.89 2d63A1 LEU 18 HA 0.00 0.10 0.41 -0.75 4.35 4.12 2d63A1 LEU 18 HB2 -0.04 0.00 0.08 -0.04 1.64 1.64 2d63A1 LEU 18 HB3 -0.02 0.10 0.07 -0.04 1.64 1.75 2d63A1 LEU 18 HG -0.05 -0.10 0.07 -0.04 1.64 1.51 2d63A1 LEU 18 HD13 -0.03 0.03 0.01 -0.04 0.93 0.90 2d63A1 LEU 18 HD23 0.04 0.01 -0.03 -0.04 0.89 0.87 2d63A1 GLY 19 H -0.02 0.29 -0.32 -0.55 8.43 7.83 2d63A1 GLY 19 HA2 -0.01 0.05 0.43 -0.51 4.01 3.97 2d63A1 GLY 19 HA3 -0.01 0.18 0.26 -0.51 4.01 3.94 2d63A1 LEU 20 H 0.02 0.36 -0.53 -0.55 8.37 7.67 2d63A1 LEU 20 HA 0.08 0.08 0.37 -0.75 4.35 4.13 2d63A1 LEU 20 HB2 0.04 0.12 0.07 -0.04 1.64 1.83 2d63A1 LEU 20 HB3 0.08 -0.02 -0.04 -0.04 1.64 1.62 2d63A1 LEU 20 HG 0.05 0.08 -0.00 -0.04 1.64 1.72 2d63A1 LEU 20 HD13 0.08 -0.03 -0.15 -0.04 0.93 0.79 2d63A1 LEU 20 HD23 0.16 0.01 -0.03 -0.04 0.89 0.99 2d63A1 ALA 21 H -0.01 0.30 -0.37 -0.55 8.40 7.78 2d63A1 ALA 21 HA -0.06 0.07 0.38 -0.75 4.34 3.98 2d63A1 ALA 21 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 2d63A1 ASP 22 H -0.01 0.17 -0.19 -0.55 8.40 7.82 2d63A1 ASP 22 HA -0.02 0.08 0.40 -0.75 4.63 4.33 2d63A1 ASP 22 HB2 -0.00 0.12 0.13 -0.04 2.71 2.92 2d63A1 ASP 22 HB3 -0.01 0.02 0.02 -0.04 2.70 2.69 2d63A1 LEU 23 H 0.02 0.32 -0.17 -0.55 8.37 8.00 2d63A1 LEU 23 HA 0.04 0.03 0.40 -0.75 4.35 4.07 2d63A1 LEU 23 HB2 0.16 0.07 0.10 -0.04 1.64 1.93 2d63A1 LEU 23 HB3 0.25 0.02 -0.02 -0.04 1.64 1.85 2d63A1 LEU 23 HG 0.06 0.10 0.03 -0.04 1.64 1.78 2d63A1 LEU 23 HD13 0.10 -0.02 -0.05 -0.04 0.93 0.92 2d63A1 LEU 23 HD23 0.05 -0.01 -0.03 -0.04 0.89 0.87 2d63A1 LEU 24 H -0.13 0.50 -0.19 -0.55 8.37 8.01 2d63A1 LEU 24 HA -0.48 0.03 0.38 -0.75 4.35 3.52 2d63A1 LEU 24 HB2 -0.19 0.07 0.16 -0.04 1.64 1.65 2d63A1 LEU 24 HB3 -0.23 0.02 -0.03 -0.04 1.64 1.36 2d63A1 LEU 24 HG -0.67 -0.01 0.02 -0.04 1.64 0.93 2d63A1 LEU 24 HD13 -0.16 -0.05 -0.06 -0.04 0.93 0.61 2d63A1 LEU 24 HD23 -0.77 0.01 -0.06 -0.04 0.89 0.04 2d63A1 ARG 25 H -0.07 0.25 -0.44 -0.55 8.46 7.64 2d63A1 ARG 25 HA -0.05 0.02 0.39 -0.75 4.34 3.94 2d63A1 ARG 25 HB2 -0.04 0.01 0.15 -0.04 1.90 1.99 2d63A1 ARG 25 HB3 -0.02 0.12 0.18 -0.04 1.80 2.03 2d63A1 ARG 25 HG2 -0.02 -0.08 -0.02 -0.04 1.67 1.51 2d63A1 ARG 25 HG3 -0.02 0.03 -0.09 -0.04 1.67 1.55 2d63A1 ARG 25 HD2 -0.02 -0.05 -0.01 -0.04 3.22 3.10 2d63A1 ARG 25 HD3 -0.03 0.05 0.02 -0.04 3.22 3.21 2d63A1 ALA 26 H -0.02 0.37 -0.04 -0.55 8.40 8.17 2d63A1 ALA 26 HA -0.00 0.00 0.39 -0.75 4.34 3.98 2d63A1 ALA 26 HB3 0.01 -0.03 0.08 -0.04 1.41 1.43 2d63A1 ASP 27 H -0.00 0.46 -0.25 -0.55 8.40 8.06 2d63A1 ASP 27 HA 0.04 -0.12 0.42 -0.75 4.63 4.22 2d63A1 ASP 27 HB2 0.12 0.02 0.09 -0.04 2.71 2.90 2d63A1 ASP 27 HB3 -0.02 0.15 0.15 -0.04 2.70 2.94 2d63A1 GLU 28 H 0.02 0.04 0.28 -0.55 8.60 8.39 2d63A1 GLU 28 HA -0.00 0.20 0.57 -0.75 4.29 4.30 2d63A1 GLU 28 HB2 0.00 -0.06 0.11 -0.04 2.09 2.10 2d63A1 GLU 28 HB3 0.00 0.05 0.12 -0.04 1.99 2.13 2d63A1 GLU 28 HG2 0.01 -0.01 0.18 -0.04 2.34 2.48 2d63A1 GLU 28 HG3 0.01 -0.03 -0.06 -0.04 2.34 2.22 2d63A1 ARG 29 H 0.03 -0.05 -0.19 -0.55 8.46 7.70 2d63A1 ARG 29 HA 0.02 0.03 0.34 -0.75 4.34 3.97 2d63A1 ARG 29 HB2 0.05 0.01 -0.05 -0.04 1.90 1.87 2d63A1 ARG 29 HB3 0.04 0.01 -0.10 -0.04 1.80 1.70 2d63A1 ARG 29 HG2 0.01 -0.00 0.01 -0.04 1.67 1.65 2d63A1 ARG 29 HG3 0.02 -0.10 0.03 -0.04 1.67 1.59 2d63A1 ARG 29 HD2 0.02 0.03 -0.11 -0.04 3.22 3.13 2d63A1 ARG 29 HD3 0.01 0.01 -0.03 -0.04 3.22 3.17 2d63A1 PRO 30 HA 0.01 0.13 0.50 -0.51 4.44 4.57 2d63A1 PRO 30 HB2 0.02 -0.17 0.22 -0.04 2.28 2.31 2d63A1 PRO 30 HB3 0.01 0.02 0.11 -0.04 2.02 2.12 2d63A1 PRO 30 HG2 0.01 0.00 0.10 -0.04 2.03 2.10 2d63A1 PRO 30 HG3 0.01 0.08 0.10 -0.04 2.03 2.18 2d63A1 PRO 30 HD2 0.02 0.08 0.16 -0.04 3.68 3.90 2d63A1 PRO 30 HD3 0.01 0.12 0.21 -0.04 3.65 3.95 2d63A1 GLY 31 H 0.02 0.08 0.03 -0.55 8.43 8.02 2d63A1 GLY 31 HA2 0.02 0.12 0.44 -0.51 4.01 4.07 2d63A1 GLY 31 HA3 0.03 -0.04 0.37 -0.51 4.01 3.85 2d63A1 LYS 32 H 0.02 0.45 -0.22 -0.55 8.42 8.11 2d63A1 LYS 32 HA 0.11 0.16 0.46 -0.75 4.32 4.29 2d63A1 LYS 32 HB2 -0.02 -0.04 0.03 -0.04 1.87 1.80 2d63A1 LYS 32 HB3 0.04 -0.04 0.03 -0.04 1.79 1.77 2d63A1 LYS 32 HG2 0.11 -0.11 -0.07 -0.04 1.46 1.36 2d63A1 LYS 32 HG3 0.03 0.14 -0.21 -0.04 1.46 1.38 2d63A1 LYS 32 HD2 -0.11 -0.14 0.02 -0.04 1.69 1.42 2d63A1 LYS 32 HD3 0.00 0.04 -0.07 -0.04 1.68 1.61 2d63A1 LYS 32 HE2 -0.03 0.16 0.07 -0.04 2.99 3.15 2d63A1 LYS 32 HE3 -0.07 -0.19 0.02 -0.04 2.99 2.71 2d63A1 ILE 33 H 0.14 0.71 0.35 -0.55 8.25 8.90 2d63A1 ILE 33 HA 0.02 0.17 0.96 -0.75 4.18 4.57 2d63A1 ILE 33 HB 0.06 -0.10 0.17 -0.04 1.89 1.99 2d63A1 ILE 33 HG12 0.02 0.02 -0.13 -0.04 1.49 1.36 2d63A1 ILE 33 HG13 0.05 0.19 -0.20 -0.04 1.21 1.21 2d63A1 ILE 33 HG23 -0.00 -0.02 -0.15 -0.04 0.93 0.72 2d63A1 ILE 33 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 2d63A1 ASP 34 H -0.01 0.26 0.08 -0.55 8.40 8.18 2d63A1 ASP 34 HA 0.04 0.04 0.80 -0.75 4.63 4.76 2d63A1 ASP 34 HB2 -0.09 0.07 0.05 -0.04 2.71 2.70 2d63A1 ASP 34 HB3 -0.04 0.08 0.20 -0.04 2.70 2.89 2d63A1 LEU 35 H 0.09 0.58 0.32 -0.55 8.37 8.81 2d63A1 LEU 35 HA 0.00 0.23 0.87 -0.75 4.35 4.70 2d63A1 LEU 35 HB2 0.03 0.16 0.09 -0.04 1.64 1.88 2d63A1 LEU 35 HB3 -0.01 -0.26 0.21 -0.04 1.64 1.54 2d63A1 LEU 35 HG 0.00 0.01 -0.39 -0.04 1.64 1.22 2d63A1 LEU 35 HD13 -0.07 -0.02 -0.15 -0.04 0.93 0.65 2d63A1 LEU 35 HD23 -0.08 0.07 -0.24 -0.04 0.89 0.60 2d63A1 GLY 36 H 0.05 0.04 -0.20 -0.55 8.43 7.78 2d63A1 GLY 36 HA2 0.09 0.06 0.49 -0.51 4.01 4.15 2d63A1 GLY 36 HA3 0.08 -0.05 0.26 -0.51 4.01 3.78 2d63A1 MET 37 H 0.05 0.09 0.02 -0.55 8.47 8.09 2d63A1 MET 37 HA 0.14 -0.06 0.29 -0.75 4.52 4.14 2d63A1 MET 37 HB2 0.01 0.06 -0.02 -0.04 2.15 2.17 2d63A1 MET 37 HB3 0.05 -0.02 -0.11 -0.04 2.03 1.92 2d63A1 MET 37 HG2 0.06 -0.10 -0.14 -0.04 2.63 2.40 2d63A1 MET 37 HG3 0.03 0.03 0.02 -0.04 2.56 2.60 2d63A1 MET 37 HE3 0.03 -0.01 -0.07 -0.04 2.10 2.01 2d63A1 GLY 38 H 0.29 0.01 0.05 -0.55 8.43 8.24 2d63A1 GLY 38 HA2 0.13 0.21 0.37 -0.51 4.01 4.21 2d63A1 GLY 38 HA3 0.39 -0.08 0.32 -0.51 4.01 4.14 2d63A1 VAL 39 H -0.02 0.56 0.06 -0.55 8.24 8.29 2d63A1 VAL 39 HA -0.08 0.06 0.86 -0.75 4.13 4.21 2d63A1 VAL 39 HB -0.50 0.05 -0.01 -0.04 2.12 1.61 2d63A1 VAL 39 HG13 -0.37 -0.04 -0.26 -0.04 0.97 0.25 2d63A1 VAL 39 HG23 -0.12 0.06 -0.18 -0.04 0.95 0.67 2d63A1 TYR 40 H 0.37 0.04 0.10 -0.55 8.29 8.25 2d63A1 TYR 40 HA 0.02 0.09 0.49 -0.75 4.56 4.40 2d63A1 TYR 40 HB2 0.18 -0.06 0.08 -0.04 3.06 3.21 2d63A1 TYR 40 HB3 0.22 -0.04 0.10 -0.04 2.98 3.22 2d63A1 TYR 40 HD2 0.11 -0.07 -0.12 -0.04 7.15 7.03 2d63A1 TYR 40 HE2 0.05 -0.02 -0.03 -0.04 6.85 6.81 2d63A1 ASN 41 H -0.74 0.41 0.27 -0.55 8.53 7.93 2d63A1 ASN 41 HA -0.17 0.22 0.71 -0.75 4.76 4.77 2d63A1 ASN 41 HB2 -0.25 0.34 0.20 -0.04 2.88 3.13 2d63A1 ASN 41 HB3 -0.16 -0.12 -0.03 -0.04 2.79 2.44 2d63A1 ASN 41 HD21 -0.07 -0.04 -0.12 -0.04 7.03 6.76 2d63A1 ASN 41 HD22 -0.08 -0.04 -0.26 -0.04 7.74 7.32 2d63A1 ASP 42 H -0.09 0.44 0.31 -0.55 8.40 8.50 2d63A1 ASP 42 HA -0.08 0.21 0.77 -0.75 4.63 4.79 2d63A1 ASP 42 HB2 0.07 -0.09 0.23 -0.04 2.71 2.88 2d63A1 ASP 42 HB3 0.16 0.08 0.11 -0.04 2.70 3.00 2d63A1 GLU 43 H 0.01 0.15 0.19 -0.55 8.60 8.41 2d63A1 GLU 43 HA -0.03 0.16 0.43 -0.75 4.29 4.09 2d63A1 GLU 43 HB2 0.01 -0.04 0.13 -0.04 2.09 2.14 2d63A1 GLU 43 HB3 -0.00 0.03 0.11 -0.04 1.99 2.09 2d63A1 GLU 43 HG2 0.02 -0.01 0.15 -0.04 2.34 2.46 2d63A1 GLU 43 HG3 0.02 0.00 0.10 -0.04 2.34 2.42 2d63A1 THR 44 H -0.01 -0.05 -0.45 -0.55 8.28 7.22 2d63A1 THR 44 HA -0.01 0.18 0.61 -0.75 4.39 4.41 2d63A1 THR 44 HB 0.00 -0.08 -0.04 -0.04 4.32 4.16 2d63A1 THR 44 HG23 -0.00 0.03 0.04 -0.04 1.22 1.25 2d63A1 GLY 45 H -0.05 0.65 -0.25 -0.55 8.43 8.23 2d63A1 GLY 45 HA2 -0.07 0.13 0.24 -0.51 4.01 3.79 2d63A1 GLY 45 HA3 -0.04 0.12 0.52 -0.51 4.01 4.10 2d63A1 LYS 46 H -0.03 -0.11 -0.05 -0.55 8.42 7.68 2d63A1 LYS 46 HA -0.01 0.27 0.86 -0.75 4.32 4.68 2d63A1 LYS 46 HB2 0.02 -0.12 -0.05 -0.04 1.87 1.67 2d63A1 LYS 46 HB3 0.02 -0.00 -0.05 -0.04 1.79 1.72 2d63A1 LYS 46 HG2 -0.00 0.10 -0.12 -0.04 1.46 1.40 2d63A1 LYS 46 HG3 -0.00 0.08 -0.41 -0.04 1.46 1.08 2d63A1 LYS 46 HD2 0.01 -0.01 -0.06 -0.04 1.69 1.59 2d63A1 LYS 46 HD3 0.01 0.06 -0.06 -0.04 1.68 1.64 2d63A1 LYS 46 HE2 0.01 -0.01 -0.07 -0.04 2.99 2.88 2d63A1 LYS 46 HE3 0.02 -0.08 -0.07 -0.04 2.99 2.82 2d63A1 THR 47 H 0.02 0.19 0.05 -0.55 8.28 7.99 2d63A1 THR 47 HA 0.11 0.26 0.90 -0.75 4.39 4.91 2d63A1 THR 47 HB 0.03 -0.08 0.22 -0.04 4.32 4.45 2d63A1 THR 47 HG23 0.14 0.02 0.03 -0.04 1.22 1.37 2d63A1 PRO 48 HA 0.08 0.08 0.50 -0.51 4.44 4.59 2d63A1 PRO 48 HB2 0.08 0.10 -0.05 -0.04 2.28 2.37 2d63A1 PRO 48 HB3 0.07 -0.00 -0.00 -0.04 2.02 2.04 2d63A1 PRO 48 HG2 0.15 0.00 -0.14 -0.04 2.03 2.01 2d63A1 PRO 48 HG3 0.13 -0.02 -0.04 -0.04 2.03 2.06 2d63A1 PRO 48 HD2 0.23 0.15 0.11 -0.04 3.68 4.13 2d63A1 PRO 48 HD3 0.10 0.15 -0.27 -0.04 3.65 3.59 2d63A1 VAL 49 H 0.08 0.12 0.14 -0.55 8.24 8.03 2d63A1 VAL 49 HA 0.11 0.16 0.67 -0.75 4.13 4.31 2d63A1 VAL 49 HB 0.06 -0.03 0.12 -0.04 2.12 2.23 2d63A1 VAL 49 HG13 0.07 0.04 -0.05 -0.04 0.97 0.99 2d63A1 VAL 49 HG23 0.07 0.01 0.04 -0.04 0.95 1.04 2d63A1 LEU 50 H 0.10 0.22 0.14 -0.55 8.37 8.28 2d63A1 LEU 50 HA 0.06 0.11 0.36 -0.75 4.35 4.12 2d63A1 LEU 50 HB2 0.11 -0.10 0.08 -0.04 1.64 1.69 2d63A1 LEU 50 HB3 0.09 -0.12 0.10 -0.04 1.64 1.67 2d63A1 LEU 50 HG 0.10 0.18 -0.04 -0.04 1.64 1.84 2d63A1 LEU 50 HD13 0.15 -0.00 -0.06 -0.04 0.93 0.98 2d63A1 LEU 50 HD23 0.02 0.01 -0.09 -0.04 0.89 0.78 2d63A1 THR 51 H 0.04 0.18 0.18 -0.55 8.28 8.14 2d63A1 THR 51 HA 0.04 0.17 0.49 -0.75 4.39 4.34 2d63A1 THR 51 HB 0.03 -0.03 0.12 -0.04 4.32 4.39 2d63A1 THR 51 HG23 0.03 0.02 -0.06 -0.04 1.22 1.16 2d63A1 SER 52 H 0.07 0.11 -0.06 -0.55 8.46 8.03 2d63A1 SER 52 HA 0.05 0.09 0.40 -0.75 4.49 4.28 2d63A1 SER 52 HB2 0.13 0.09 0.04 -0.04 3.95 4.16 2d63A1 SER 52 HB3 0.13 0.00 0.04 -0.04 3.93 4.06 2d63A1 VAL 53 H 0.09 0.06 -0.50 -0.55 8.24 7.34 2d63A1 VAL 53 HA 0.03 0.06 0.41 -0.75 4.13 3.88 2d63A1 VAL 53 HB 0.08 0.14 0.05 -0.04 2.12 2.34 2d63A1 VAL 53 HG13 0.04 0.01 -0.16 -0.04 0.97 0.82 2d63A1 VAL 53 HG23 0.12 0.02 0.00 -0.04 0.95 1.06 2d63A1 LYS 54 H 0.05 0.46 -0.14 -0.55 8.42 8.24 2d63A1 LYS 54 HA 0.05 0.03 0.40 -0.75 4.32 4.05 2d63A1 LYS 54 HB2 0.04 0.08 0.17 -0.04 1.87 2.12 2d63A1 LYS 54 HB3 0.04 -0.01 -0.02 -0.04 1.79 1.77 2d63A1 LYS 54 HG2 0.05 0.05 -0.02 -0.04 1.46 1.50 2d63A1 LYS 54 HG3 0.04 0.01 -0.00 -0.04 1.46 1.47 2d63A1 LYS 54 HD2 0.04 0.01 0.01 -0.04 1.69 1.71 2d63A1 LYS 54 HD3 0.05 -0.04 0.00 -0.04 1.68 1.65 2d63A1 LYS 54 HE2 0.05 -0.03 0.00 -0.04 2.99 2.97 2d63A1 LYS 54 HE3 0.04 0.02 0.00 -0.04 2.99 3.01 2d63A1 LYS 55 H 0.04 0.52 -0.22 -0.55 8.42 8.21 2d63A1 LYS 55 HA 0.04 0.05 0.42 -0.75 4.32 4.09 2d63A1 LYS 55 HB2 0.03 0.08 0.13 -0.04 1.87 2.07 2d63A1 LYS 55 HB3 0.03 -0.04 0.01 -0.04 1.79 1.75 2d63A1 LYS 55 HG2 0.03 -0.00 0.01 -0.04 1.46 1.46 2d63A1 LYS 55 HG3 0.03 0.10 0.03 -0.04 1.46 1.58 2d63A1 LYS 55 HD2 0.02 -0.01 -0.06 -0.04 1.69 1.60 2d63A1 LYS 55 HD3 0.03 -0.06 -0.07 -0.04 1.68 1.54 2d63A1 LYS 55 HE2 0.01 -0.03 -0.05 -0.04 2.99 2.89 2d63A1 LYS 55 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.93 2d63A1 ALA 56 H 0.02 0.44 -0.19 -0.55 8.40 8.13 2d63A1 ALA 56 HA 0.03 0.02 0.46 -0.75 4.34 4.09 2d63A1 ALA 56 HB3 -0.04 0.02 0.14 -0.04 1.41 1.50 2d63A1 GLU 57 H 0.03 0.65 -0.10 -0.55 8.60 8.64 2d63A1 GLU 57 HA 0.05 -0.02 0.36 -0.75 4.29 3.92 2d63A1 GLU 57 HB2 0.07 0.12 0.13 -0.04 2.09 2.37 2d63A1 GLU 57 HB3 0.13 -0.02 0.02 -0.04 1.99 2.07 2d63A1 GLU 57 HG2 0.03 -0.07 0.00 -0.04 2.34 2.27 2d63A1 GLU 57 HG3 0.03 0.21 0.04 -0.04 2.34 2.58 2d63A1 GLN 58 H 0.06 0.40 -0.41 -0.55 8.47 7.97 2d63A1 GLN 58 HA 0.04 0.03 0.46 -0.75 4.36 4.13 2d63A1 GLN 58 HB2 0.04 -0.00 0.11 -0.04 2.15 2.26 2d63A1 GLN 58 HB3 0.07 0.21 0.24 -0.04 2.02 2.50 2d63A1 GLN 58 HG2 0.05 -0.04 -0.02 -0.04 2.40 2.36 2d63A1 GLN 58 HG3 0.05 -0.00 -0.33 -0.04 2.39 2.07 2d63A1 GLN 58 HE21 0.02 -0.00 -0.01 -0.04 6.97 6.93 2d63A1 GLN 58 HE22 0.03 -0.02 -0.02 -0.04 7.69 7.64 2d63A1 TYR 59 H 0.16 0.51 -0.06 -0.55 8.29 8.36 2d63A1 TYR 59 HA -0.00 0.01 0.39 -0.75 4.56 4.19 2d63A1 TYR 59 HB2 -0.01 0.00 0.15 -0.04 3.06 3.17 2d63A1 TYR 59 HB3 -0.02 0.16 0.23 -0.04 2.98 3.31 2d63A1 TYR 59 HD2 -0.02 0.01 -0.06 -0.04 7.15 7.04 2d63A1 TYR 59 HE2 -0.02 -0.01 -0.04 -0.04 6.85 6.74 2d63A1 LEU 60 H 0.11 0.56 -0.13 -0.55 8.37 8.36 2d63A1 LEU 60 HA -0.10 -0.02 0.40 -0.75 4.35 3.88 2d63A1 LEU 60 HB2 0.05 0.10 0.09 -0.04 1.64 1.84 2d63A1 LEU 60 HB3 0.02 -0.04 -0.01 -0.04 1.64 1.58 2d63A1 LEU 60 HG 0.08 0.16 -0.03 -0.04 1.64 1.81 2d63A1 LEU 60 HD13 -0.13 -0.04 -0.15 -0.04 0.93 0.57 2d63A1 LEU 60 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.82 2d63A1 LEU 61 H 0.01 0.48 -0.24 -0.55 8.37 8.07 2d63A1 LEU 61 HA -0.01 -0.01 0.40 -0.75 4.35 3.97 2d63A1 LEU 61 HB2 0.02 0.04 0.17 -0.04 1.64 1.83 2d63A1 LEU 61 HB3 -0.00 0.14 0.19 -0.04 1.64 1.92 2d63A1 LEU 61 HG -0.02 0.02 -0.11 -0.04 1.64 1.49 2d63A1 LEU 61 HD13 -0.01 -0.01 0.05 -0.04 0.93 0.91 2d63A1 LEU 61 HD23 0.00 -0.02 -0.00 -0.04 0.89 0.83 2d63A1 GLU 62 H -0.08 0.37 -0.22 -0.55 8.60 8.12 2d63A1 GLU 62 HA -0.06 0.09 0.57 -0.75 4.29 4.13 2d63A1 GLU 62 HB2 -0.13 0.04 0.08 -0.04 2.09 2.03 2d63A1 GLU 62 HB3 -0.06 -0.06 0.07 -0.04 1.99 1.89 2d63A1 GLU 62 HG2 -0.02 -0.05 -0.02 -0.04 2.34 2.20 2d63A1 GLU 62 HG3 -0.03 0.41 0.10 -0.04 2.34 2.78 2d63A1 ASN 63 H -0.25 0.35 -0.05 -0.55 8.53 8.03 2d63A1 ASN 63 HA -0.15 0.24 1.01 -0.75 4.76 5.10 2d63A1 ASN 63 HB2 -0.54 -0.00 0.03 -0.04 2.88 2.32 2d63A1 ASN 63 HB3 -0.24 -0.08 0.04 -0.04 2.79 2.47 2d63A1 ASN 63 HD21 -0.41 -0.09 -0.02 -0.04 7.03 6.47 2d63A1 ASN 63 HD22 -0.80 0.59 0.16 -0.04 7.74 7.64 2d63A1 GLU 64 H -0.11 0.64 0.10 -0.55 8.60 8.69 2d63A1 GLU 64 HA -0.05 -0.09 0.49 -0.75 4.29 3.89 2d63A1 GLU 64 HB2 -0.04 0.23 0.16 -0.04 2.09 2.40 2d63A1 GLU 64 HB3 -0.03 -0.05 -0.05 -0.04 1.99 1.82 2d63A1 GLU 64 HG2 -0.02 -0.05 0.08 -0.04 2.34 2.30 2d63A1 GLU 64 HG3 -0.03 -0.04 0.10 -0.04 2.34 2.33 2d63A1 THR 66 H -0.03 0.02 0.26 -0.55 8.28 7.98 2d63A1 THR 66 HA -0.03 0.28 0.94 -0.75 4.39 4.82 2d63A1 THR 66 HB -0.02 -0.04 0.15 -0.04 4.32 4.36 2d63A1 THR 66 HG23 -0.04 0.08 -0.07 -0.04 1.22 1.16 2d63A1 THR 67 H -0.03 0.17 0.15 -0.55 8.28 8.02 2d63A1 THR 67 HA -0.03 0.16 0.55 -0.75 4.39 4.32 2d63A1 THR 67 HB -0.02 0.17 -0.14 -0.04 4.32 4.29 2d63A1 THR 67 HG23 -0.02 0.00 -0.09 -0.04 1.22 1.08 2d63A1 LYS 68 H -0.05 0.18 0.10 -0.55 8.42 8.09 2d63A1 LYS 68 HA -0.05 0.18 0.78 -0.75 4.32 4.48 2d63A1 LYS 68 HB2 -0.08 0.01 0.03 -0.04 1.87 1.79 2d63A1 LYS 68 HB3 -0.08 -0.00 0.15 -0.04 1.79 1.82 2d63A1 LYS 68 HG2 -0.04 -0.03 -0.26 -0.04 1.46 1.09 2d63A1 LYS 68 HG3 -0.05 0.02 -0.04 -0.04 1.46 1.34 2d63A1 LYS 68 HD2 -0.04 -0.06 0.03 -0.04 1.69 1.59 2d63A1 LYS 68 HD3 -0.03 0.11 -0.07 -0.04 1.68 1.65 2d63A1 LYS 68 HE2 -0.03 0.06 -0.09 -0.04 2.99 2.88 2d63A1 LYS 68 HE3 -0.04 -0.01 -0.03 -0.04 2.99 2.87 2d63A1 ASN 69 H -0.05 -0.03 -0.07 -0.55 8.53 7.84 2d63A1 ASN 69 HA -0.13 0.01 0.39 -0.75 4.76 4.27 2d63A1 ASN 69 HB2 -0.02 -0.07 0.11 -0.04 2.88 2.86 2d63A1 ASN 69 HB3 0.00 0.05 -0.03 -0.04 2.79 2.77 2d63A1 ASN 69 HD21 0.04 0.01 0.00 -0.04 7.03 7.04 2d63A1 ASN 69 HD22 0.01 -0.02 0.00 -0.04 7.74 7.69 2d63A1 TYR 70 H -0.14 0.03 0.16 -0.55 8.29 7.78 2d63A1 TYR 70 HA 0.00 0.02 0.36 -0.75 4.56 4.19 2d63A1 TYR 70 HB2 0.00 -0.08 0.07 -0.04 3.06 3.01 2d63A1 TYR 70 HB3 0.01 0.21 -0.00 -0.04 2.98 3.15 2d63A1 TYR 70 HD2 0.01 -0.00 0.06 -0.04 7.15 7.17 2d63A1 TYR 70 HE2 0.01 0.01 0.02 -0.04 6.85 6.84 2d63A1 LEU 71 H 0.14 0.10 0.15 -0.55 8.37 8.20 2d63A1 LEU 71 HA 0.05 0.08 0.59 -0.75 4.35 4.32 2d63A1 LEU 71 HB2 0.06 0.13 0.03 -0.04 1.64 1.81 2d63A1 LEU 71 HB3 0.04 -0.12 0.03 -0.04 1.64 1.55 2d63A1 LEU 71 HG 0.02 0.04 0.01 -0.04 1.64 1.67 2d63A1 LEU 71 HD13 -0.03 -0.02 -0.09 -0.04 0.93 0.75 2d63A1 LEU 71 HD23 0.00 -0.00 -0.07 -0.04 0.89 0.78 2d63A1 GLY 72 H 0.05 0.09 0.12 -0.55 8.43 8.14 2d63A1 GLY 72 HA2 0.03 0.14 0.48 -0.51 4.01 4.15 2d63A1 GLY 72 HA3 0.04 0.01 0.36 -0.51 4.01 3.91 2d63A1 ILE 73 H -0.00 0.13 0.18 -0.55 8.25 8.01 2d63A1 ILE 73 HA -0.01 0.25 0.50 -0.75 4.18 4.17 2d63A1 ILE 73 HB -0.06 -0.11 0.15 -0.04 1.89 1.83 2d63A1 ILE 73 HG12 -0.08 0.24 0.13 -0.04 1.49 1.74 2d63A1 ILE 73 HG13 -0.05 -0.11 0.15 -0.04 1.21 1.16 2d63A1 ILE 73 HG23 -0.12 0.07 -0.01 -0.04 0.93 0.84 2d63A1 ILE 73 HD13 -0.08 0.01 0.05 -0.04 0.88 0.81 2d63A1 ASP 74 H 0.05 0.02 -0.22 -0.55 8.40 7.70 2d63A1 ASP 74 HA 0.09 0.20 0.71 -0.75 4.63 4.88 2d63A1 ASP 74 HB2 0.31 0.10 0.21 -0.04 2.71 3.29 2d63A1 ASP 74 HB3 0.17 0.01 0.03 -0.04 2.70 2.88 2d63A1 GLY 75 H 0.07 0.51 -0.48 -0.55 8.43 7.97 2d63A1 GLY 75 HA2 0.03 0.11 0.25 -0.51 4.01 3.89 2d63A1 GLY 75 HA3 0.05 0.03 0.58 -0.51 4.01 4.16 2d63A1 ILE 76 H -0.02 0.11 0.12 -0.55 8.25 7.91 2d63A1 ILE 76 HA 0.03 0.18 0.54 -0.75 4.18 4.18 2d63A1 ILE 76 HB 0.03 -0.09 0.13 -0.04 1.89 1.93 2d63A1 ILE 76 HG12 -0.03 0.09 0.00 -0.04 1.49 1.52 2d63A1 ILE 76 HG13 -0.08 -0.01 0.05 -0.04 1.21 1.14 2d63A1 ILE 76 HG23 0.02 -0.04 -0.04 -0.04 0.93 0.83 2d63A1 ILE 76 HD13 -0.11 0.00 -0.08 -0.04 0.88 0.65 2d63A1 PRO 77 HA 0.07 0.12 0.38 -0.51 4.44 4.49 2d63A1 PRO 77 HB2 0.03 0.05 0.00 -0.04 2.28 2.32 2d63A1 PRO 77 HB3 0.04 0.10 0.12 -0.04 2.02 2.23 2d63A1 PRO 77 HG2 0.03 -0.08 0.12 -0.04 2.03 2.06 2d63A1 PRO 77 HG3 0.03 0.11 0.10 -0.04 2.03 2.23 2d63A1 PRO 77 HD2 0.03 0.05 0.28 -0.04 3.68 4.00 2d63A1 PRO 77 HD3 0.05 0.28 0.27 -0.04 3.65 4.21 2d63A1 GLU 78 H 0.04 0.15 -0.16 -0.55 8.60 8.08 2d63A1 GLU 78 HA 0.00 0.10 0.36 -0.75 4.29 4.00 2d63A1 GLU 78 HB2 0.01 -0.01 -0.07 -0.04 2.09 1.99 2d63A1 GLU 78 HB3 -0.01 0.08 0.02 -0.04 1.99 2.04 2d63A1 GLU 78 HG2 0.02 -0.07 0.04 -0.04 2.34 2.29 2d63A1 GLU 78 HG3 0.01 0.08 -0.01 -0.04 2.34 2.38 2d63A1 PHE 79 H 0.15 0.11 -0.29 -0.55 8.34 7.76 2d63A1 PHE 79 HA -0.13 0.00 0.32 -0.75 4.62 4.06 2d63A1 PHE 79 HB2 -0.11 -0.03 0.06 -0.04 3.15 3.03 2d63A1 PHE 79 HB3 -0.05 0.28 0.12 -0.04 3.06 3.37 2d63A1 PHE 79 HD2 -0.15 0.06 -0.08 -0.04 7.28 7.07 2d63A1 PHE 79 HE2 -0.27 0.03 -0.06 -0.04 7.38 7.04 2d63A1 PHE 79 HZ 0.20 -0.08 -0.23 -0.04 7.32 7.17 2d63A1 GLY 80 H 0.13 0.43 -0.28 -0.55 8.43 8.16 2d63A1 GLY 80 HA2 -0.07 -0.02 0.26 -0.51 4.01 3.67 2d63A1 GLY 80 HA3 0.03 0.15 0.23 -0.51 4.01 3.91 2d63A1 ARG 81 H -0.02 0.50 -0.11 -0.55 8.46 8.27 2d63A1 ARG 81 HA -0.03 0.04 0.41 -0.75 4.34 4.01 2d63A1 ARG 81 HB2 -0.02 0.06 0.15 -0.04 1.90 2.05 2d63A1 ARG 81 HB3 -0.02 -0.02 -0.03 -0.04 1.80 1.69 2d63A1 ARG 81 HG2 -0.01 -0.00 0.01 -0.04 1.67 1.62 2d63A1 ARG 81 HG3 -0.00 0.11 0.03 -0.04 1.67 1.76 2d63A1 ARG 81 HD2 -0.01 -0.00 -0.02 -0.04 3.22 3.15 2d63A1 ARG 81 HD3 -0.00 0.02 -0.03 -0.04 3.22 3.17 2d63A1 CYS 82 H -0.10 0.68 -0.08 -0.55 8.50 8.45 2d63A1 CYS 82 HA -0.07 0.02 0.36 -0.75 4.58 4.14 2d63A1 CYS 82 HB2 -0.21 0.08 0.04 -0.04 2.97 2.83 2d63A1 CYS 82 HB3 -0.16 -0.06 -0.07 -0.04 2.97 2.64 2d63A1 THR 83 H -0.25 0.52 -0.41 -0.55 8.28 7.59 2d63A1 THR 83 HA -0.10 -0.02 0.32 -0.75 4.39 3.83 2d63A1 THR 83 HB -0.22 0.19 0.04 -0.04 4.32 4.28 2d63A1 THR 83 HG23 -0.13 -0.04 -0.24 -0.04 1.22 0.77 2d63A1 GLN 84 H -0.08 0.54 -0.19 -0.55 8.47 8.20 2d63A1 GLN 84 HA -0.15 -0.01 0.35 -0.75 4.36 3.80 2d63A1 GLN 84 HB2 0.02 0.15 0.09 -0.04 2.15 2.37 2d63A1 GLN 84 HB3 0.16 -0.05 -0.10 -0.04 2.02 1.99 2d63A1 GLN 84 HG2 0.18 -0.06 -0.15 -0.04 2.40 2.32 2d63A1 GLN 84 HG3 0.00 0.07 -0.09 -0.04 2.39 2.33 2d63A1 GLN 84 HE21 -0.06 0.17 -0.27 -0.04 6.97 6.78 2d63A1 GLN 84 HE22 -0.03 -0.08 -0.31 -0.04 7.69 7.23 2d63A1 GLU 85 H -0.03 0.53 -0.27 -0.55 8.60 8.28 2d63A1 GLU 85 HA 0.04 0.06 0.17 -0.75 4.29 3.80 2d63A1 GLU 85 HB2 -0.02 0.13 0.08 -0.04 2.09 2.24 2d63A1 GLU 85 HB3 0.01 -0.09 -0.10 -0.04 1.99 1.76 2d63A1 GLU 85 HG2 0.02 -0.01 -0.03 -0.04 2.34 2.28 2d63A1 GLU 85 HG3 0.01 0.08 -0.03 -0.04 2.34 2.35 2d63A1 LEU 86 H -0.04 0.48 -0.29 -0.55 8.37 7.98 2d63A1 LEU 86 HA 0.03 -0.03 0.31 -0.75 4.35 3.90 2d63A1 LEU 86 HB2 0.01 0.23 0.12 -0.04 1.64 1.96 2d63A1 LEU 86 HB3 -0.01 0.06 -0.01 -0.04 1.64 1.64 2d63A1 LEU 86 HG 0.09 -0.06 -0.08 -0.04 1.64 1.55 2d63A1 LEU 86 HD13 0.16 -0.01 -0.03 -0.04 0.93 1.01 2d63A1 LEU 86 HD23 0.22 -0.01 -0.09 -0.04 0.89 0.97 2d63A1 LEU 87 H -0.18 0.40 -0.34 -0.55 8.37 7.70 2d63A1 LEU 87 HA -0.09 0.02 0.45 -0.75 4.35 3.98 2d63A1 LEU 87 HB2 -0.89 0.06 0.08 -0.04 1.64 0.85 2d63A1 LEU 87 HB3 -0.92 -0.04 -0.11 -0.04 1.64 0.53 2d63A1 LEU 87 HG -0.19 0.16 -0.03 -0.04 1.64 1.54 2d63A1 LEU 87 HD13 -0.29 -0.02 -0.16 -0.04 0.93 0.42 2d63A1 LEU 87 HD23 0.08 -0.03 -0.09 -0.04 0.89 0.81 2d63A1 PHE 88 H -0.24 0.63 -0.01 -0.55 8.34 8.17 2d63A1 PHE 88 HA -0.05 0.17 0.80 -0.75 4.62 4.78 2d63A1 PHE 88 HB2 -0.03 0.08 -0.02 -0.04 3.15 3.14 2d63A1 PHE 88 HB3 -0.04 -0.09 0.04 -0.04 3.06 2.93 2d63A1 PHE 88 HD2 -0.06 0.04 -0.14 -0.04 7.28 7.07 2d63A1 PHE 88 HE2 -0.08 -0.00 -0.19 -0.04 7.38 7.07 2d63A1 PHE 88 HZ -0.04 0.01 -0.22 -0.04 7.32 7.02 2d63A1 GLY 89 H 0.05 0.43 -0.16 -0.55 8.43 8.20 2d63A1 GLY 89 HA2 0.04 0.00 0.34 -0.51 4.01 3.88 2d63A1 GLY 89 HA3 0.05 0.15 0.80 -0.51 4.01 4.51 2d63A1 LYS 90 H 0.03 0.00 0.10 -0.55 8.42 8.00 2d63A1 LYS 90 HA 0.02 0.05 0.34 -0.75 4.32 3.98 2d63A1 LYS 90 HB2 0.02 -0.03 0.08 -0.04 1.87 1.89 2d63A1 LYS 90 HB3 0.01 0.05 0.00 -0.04 1.79 1.82 2d63A1 LYS 90 HG2 0.01 0.04 0.01 -0.04 1.46 1.48 2d63A1 LYS 90 HG3 0.02 -0.00 0.03 -0.04 1.46 1.47 2d63A1 LYS 90 HD2 0.02 0.01 0.03 -0.04 1.69 1.70 2d63A1 LYS 90 HD3 0.02 0.02 -0.00 -0.04 1.68 1.67 2d63A1 LYS 90 HE2 0.03 0.00 0.21 -0.04 2.99 3.19 2d63A1 LYS 90 HE3 0.02 0.00 0.03 -0.04 2.99 3.00 2d63A1 GLY 91 H 0.02 0.05 -0.31 -0.55 8.43 7.64 2d63A1 GLY 91 HA2 0.01 0.24 0.81 -0.51 4.01 4.56 2d63A1 GLY 91 HA3 0.01 -0.02 0.28 -0.51 4.01 3.77 2d63A1 SER 92 H 0.04 0.58 -0.35 -0.55 8.46 8.18 2d63A1 SER 92 HA 0.01 0.06 0.35 -0.75 4.49 4.15 2d63A1 SER 92 HB2 0.09 0.29 -0.17 -0.04 3.95 4.12 2d63A1 SER 92 HB3 0.07 -0.05 -0.05 -0.04 3.93 3.85 2d63A1 ALA 93 H -0.03 0.21 0.17 -0.55 8.40 8.21 2d63A1 ALA 93 HA -0.03 0.11 0.47 -0.75 4.34 4.14 2d63A1 ALA 93 HB3 -0.04 0.05 0.09 -0.04 1.41 1.47 2d63A1 LEU 94 H -0.12 0.11 -0.17 -0.55 8.37 7.64 2d63A1 LEU 94 HA -0.13 0.15 0.29 -0.75 4.35 3.90 2d63A1 LEU 94 HB2 -0.40 -0.06 -0.05 -0.04 1.64 1.10 2d63A1 LEU 94 HB3 -0.41 -0.01 -0.16 -0.04 1.64 1.03 2d63A1 LEU 94 HG -0.28 0.01 -0.02 -0.04 1.64 1.31 2d63A1 LEU 94 HD13 -1.00 0.01 -0.10 -0.04 0.93 -0.21 2d63A1 LEU 94 HD23 -0.19 0.05 -0.06 -0.04 0.89 0.64 2d63A1 ILE 95 H -0.04 0.15 -0.50 -0.55 8.25 7.31 2d63A1 ILE 95 HA -0.02 0.06 0.45 -0.75 4.18 3.92 2d63A1 ILE 95 HB 0.01 0.17 -0.01 -0.04 1.89 2.02 2d63A1 ILE 95 HG12 0.10 -0.03 -0.15 -0.04 1.49 1.37 2d63A1 ILE 95 HG13 0.08 -0.11 -0.14 -0.04 1.21 1.01 2d63A1 ILE 95 HG23 0.01 0.00 -0.12 -0.04 0.93 0.79 2d63A1 ILE 95 HD13 0.08 0.04 -0.25 -0.04 0.88 0.71 2d63A1 ASN 96 H -0.02 0.39 -0.11 -0.55 8.53 8.25 2d63A1 ASN 96 HA -0.01 0.04 0.38 -0.75 4.76 4.42 2d63A1 ASN 96 HB2 -0.02 0.03 0.14 -0.04 2.88 2.98 2d63A1 ASN 96 HB3 -0.01 -0.03 0.01 -0.04 2.79 2.72 2d63A1 ASN 96 HD21 -0.00 -0.03 -0.09 -0.04 7.03 6.86 2d63A1 ASN 96 HD22 -0.01 -0.04 -0.12 -0.04 7.74 7.53 2d63A1 ASP 97 H -0.04 0.67 -0.18 -0.55 8.40 8.31 2d63A1 ASP 97 HA -0.02 0.10 0.60 -0.75 4.63 4.55 2d63A1 ASP 97 HB2 -0.04 0.06 0.02 -0.04 2.71 2.70 2d63A1 ASP 97 HB3 -0.03 -0.06 0.13 -0.04 2.70 2.71 2d63A1 LYS 98 H -0.03 0.35 -0.78 -0.55 8.42 7.41 2d63A1 LYS 98 HA -0.04 0.06 0.35 -0.75 4.32 3.94 2d63A1 LYS 98 HB2 -0.02 0.04 -0.08 -0.04 1.87 1.78 2d63A1 LYS 98 HB3 -0.03 -0.07 0.19 -0.04 1.79 1.85 2d63A1 LYS 98 HG2 -0.02 0.00 0.05 -0.04 1.46 1.45 2d63A1 LYS 98 HG3 -0.02 0.16 -0.15 -0.04 1.46 1.41 2d63A1 LYS 98 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 2d63A1 LYS 98 HD3 -0.01 -0.06 0.01 -0.04 1.68 1.58 2d63A1 LYS 98 HE2 -0.00 -0.06 0.00 -0.04 2.99 2.89 2d63A1 LYS 98 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 2d63A1 ARG 99 H -0.06 0.56 -0.06 -0.55 8.46 8.34 2d63A1 ARG 99 HA -0.04 0.06 0.48 -0.75 4.34 4.10 2d63A1 ARG 99 HB2 -0.09 -0.06 0.03 -0.04 1.90 1.74 2d63A1 ARG 99 HB3 -0.06 0.17 0.11 -0.04 1.80 1.99 2d63A1 ARG 99 HG2 -0.03 -0.11 -0.28 -0.04 1.67 1.21 2d63A1 ARG 99 HG3 -0.04 -0.02 -0.26 -0.04 1.67 1.31 2d63A1 ARG 99 HD2 -0.03 0.04 0.05 -0.04 3.22 3.23 2d63A1 ARG 99 HD3 -0.06 -0.13 -0.06 -0.04 3.22 2.92 2d63A1 ALA 100 H -0.07 0.13 -0.18 -0.55 8.40 7.74 2d63A1 ALA 100 HA -0.06 0.45 1.18 -0.75 4.34 5.15 2d63A1 ALA 100 HB3 -0.01 -0.03 -0.15 -0.04 1.41 1.18 2d63A1 ARG 101 H -0.14 0.68 0.34 -0.55 8.46 8.78 2d63A1 ARG 101 HA -0.34 0.13 0.82 -0.75 4.34 4.20 2d63A1 ARG 101 HB2 -0.68 0.00 0.05 -0.04 1.90 1.23 2d63A1 ARG 101 HB3 -2.13 0.00 -0.05 -0.04 1.80 -0.42 2d63A1 ARG 101 HG2 -0.24 -0.01 -0.44 -0.04 1.67 0.93 2d63A1 ARG 101 HG3 -0.40 0.01 -0.19 -0.04 1.67 1.05 2d63A1 ARG 101 HD2 -0.42 -0.05 0.06 -0.04 3.22 2.76 2d63A1 ARG 101 HD3 -0.19 0.16 -0.07 -0.04 3.22 3.07 2d63A1 THR 102 H -0.24 0.21 0.12 -0.55 8.28 7.82 2d63A1 THR 102 HA 0.02 0.32 1.19 -0.75 4.39 5.17 2d63A1 THR 102 HB 0.00 -0.05 0.03 -0.04 4.32 4.25 2d63A1 THR 102 HG23 0.06 -0.02 -0.35 -0.04 1.22 0.88 2d63A1 ALA 103 H 0.22 0.63 0.30 -0.55 8.40 9.00 2d63A1 ALA 103 HA 0.29 0.25 0.99 -0.75 4.34 5.12 2d63A1 ALA 103 HB3 0.21 0.02 0.02 -0.04 1.41 1.61 2d63A1 GLN 104 H 0.19 0.70 0.14 -0.55 8.47 8.96 2d63A1 GLN 104 HA 0.34 0.06 0.66 -0.75 4.36 4.66 2d63A1 GLN 104 HB2 0.13 -0.06 0.12 -0.04 2.15 2.31 2d63A1 GLN 104 HB3 0.03 0.03 0.04 -0.04 2.02 2.07 2d63A1 GLN 104 HG2 -0.19 0.11 -0.18 -0.04 2.40 2.10 2d63A1 GLN 104 HG3 -0.85 -0.06 0.08 -0.04 2.39 1.52 2d63A1 GLN 104 HE21 -0.19 0.01 -0.29 -0.04 6.97 6.46 2d63A1 GLN 104 HE22 -0.23 0.10 -0.12 -0.04 7.69 7.39 2d63A1 THR 105 H 0.12 0.48 0.10 -0.55 8.28 8.43 2d63A1 THR 105 HA 0.06 0.32 0.85 -0.75 4.39 4.86 2d63A1 THR 105 HB 0.07 0.03 -0.29 -0.04 4.32 4.09 2d63A1 THR 105 HG23 0.16 0.06 -0.40 -0.04 1.22 1.00 2d63A1 PRO 106 HA -0.13 0.41 0.65 -0.51 4.44 4.86 2d63A1 PRO 106 HB2 -0.17 -0.02 0.16 -0.04 2.28 2.20 2d63A1 PRO 106 HB3 -0.34 0.11 0.14 -0.04 2.02 1.89 2d63A1 PRO 106 HG2 -0.19 -0.11 0.13 -0.04 2.03 1.82 2d63A1 PRO 106 HG3 -0.73 0.12 0.06 -0.04 2.03 1.44 2d63A1 PRO 106 HD2 -0.15 0.10 0.05 -0.04 3.68 3.63 2d63A1 PRO 106 HD3 -0.83 0.21 0.07 -0.04 3.65 3.07 2d63A1 GLY 107 H -0.03 0.37 -0.39 -0.55 8.43 7.84 2d63A1 GLY 107 HA2 0.01 -0.03 -0.05 -0.51 4.01 3.43 2d63A1 GLY 107 HA3 0.01 0.11 0.36 -0.51 4.01 3.98 2d63A1 GLY 108 H -0.02 0.09 0.10 -0.55 8.43 8.06 2d63A1 GLY 108 HA2 0.00 0.27 0.40 -0.51 4.01 4.17 2d63A1 GLY 108 HA3 -0.05 0.02 0.14 -0.51 4.01 3.61 2d63A1 THR 109 H 0.06 0.06 -0.15 -0.55 8.28 7.69 2d63A1 THR 109 HA 0.16 0.07 0.33 -0.75 4.39 4.20 2d63A1 THR 109 HB 0.08 0.09 0.01 -0.04 4.32 4.46 2d63A1 THR 109 HG23 0.09 0.03 -0.08 -0.04 1.22 1.21 2d63A1 GLY 110 H 0.03 0.18 -0.44 -0.55 8.43 7.66 2d63A1 GLY 110 HA2 0.05 0.07 0.32 -0.51 4.01 3.94 2d63A1 GLY 110 HA3 0.01 0.20 0.12 -0.51 4.01 3.83 2d63A1 ALA 111 H 0.05 0.27 -0.50 -0.55 8.40 7.68 2d63A1 ALA 111 HA 0.10 0.07 0.28 -0.75 4.34 4.03 2d63A1 ALA 111 HB3 0.07 0.01 -0.05 -0.04 1.41 1.40 2d63A1 LEU 112 H 0.07 0.43 -0.27 -0.55 8.37 8.05 2d63A1 LEU 112 HA 0.10 0.03 0.38 -0.75 4.35 4.11 2d63A1 LEU 112 HB2 0.05 0.14 0.12 -0.04 1.64 1.90 2d63A1 LEU 112 HB3 -0.12 -0.00 -0.07 -0.04 1.64 1.41 2d63A1 LEU 112 HG 0.10 0.06 -0.02 -0.04 1.64 1.75 2d63A1 LEU 112 HD13 0.29 -0.05 -0.10 -0.04 0.93 1.03 2d63A1 LEU 112 HD23 0.20 -0.00 -0.06 -0.04 0.89 0.98 2d63A1 ARG 113 H 0.03 0.44 -0.21 -0.55 8.46 8.16 2d63A1 ARG 113 HA -0.04 0.07 0.39 -0.75 4.34 4.00 2d63A1 ARG 113 HB2 -0.00 -0.04 0.04 -0.04 1.90 1.86 2d63A1 ARG 113 HB3 0.05 0.08 0.11 -0.04 1.80 2.00 2d63A1 ARG 113 HG2 0.05 -0.01 -0.07 -0.04 1.67 1.60 2d63A1 ARG 113 HG3 0.07 0.04 -0.36 -0.04 1.67 1.37 2d63A1 ARG 113 HD2 0.03 0.04 -0.07 -0.04 3.22 3.19 2d63A1 ARG 113 HD3 0.01 -0.06 0.08 -0.04 3.22 3.21 2d63A1 VAL 114 H 0.09 0.50 -0.20 -0.55 8.24 8.09 2d63A1 VAL 114 HA 0.09 0.08 0.34 -0.75 4.13 3.88 2d63A1 VAL 114 HB 0.11 0.03 0.09 -0.04 2.12 2.30 2d63A1 VAL 114 HG13 0.05 -0.00 -0.18 -0.04 0.97 0.79 2d63A1 VAL 114 HG23 0.15 0.05 -0.05 -0.04 0.95 1.06 2d63A1 ALA 115 H 0.13 0.52 -0.25 -0.55 8.40 8.25 2d63A1 ALA 115 HA 0.23 0.01 0.33 -0.75 4.34 4.15 2d63A1 ALA 115 HB3 0.21 0.01 0.02 -0.04 1.41 1.61 2d63A1 ALA 116 H 0.16 0.50 -0.27 -0.55 8.40 8.24 2d63A1 ALA 116 HA 0.30 -0.01 0.36 -0.75 4.34 4.23 2d63A1 ALA 116 HB3 0.12 0.02 0.03 -0.04 1.41 1.54 2d63A1 ASP 117 H 0.11 0.64 -0.09 -0.55 8.40 8.52 2d63A1 ASP 117 HA 0.07 0.08 0.42 -0.75 4.63 4.44 2d63A1 ASP 117 HB2 0.09 0.03 0.12 -0.04 2.71 2.91 2d63A1 ASP 117 HB3 0.06 -0.02 -0.01 -0.04 2.70 2.69 2d63A1 PHE 118 H 0.26 0.54 -0.25 -0.55 8.34 8.34 2d63A1 PHE 118 HA 0.03 0.02 0.34 -0.75 4.62 4.25 2d63A1 PHE 118 HB2 0.04 -0.04 0.06 -0.04 3.15 3.18 2d63A1 PHE 118 HB3 0.08 0.12 0.17 -0.04 3.06 3.38 2d63A1 PHE 118 HD2 0.06 0.04 -0.18 -0.04 7.28 7.16 2d63A1 PHE 118 HE2 0.07 0.02 -0.07 -0.04 7.38 7.36 2d63A1 PHE 118 HZ 0.08 -0.05 -0.09 -0.04 7.32 7.22 2d63A1 LEU 119 H 0.17 0.63 -0.10 -0.55 8.37 8.53 2d63A1 LEU 119 HA -0.31 -0.05 0.37 -0.75 4.35 3.60 2d63A1 LEU 119 HB2 0.10 0.10 0.11 -0.04 1.64 1.90 2d63A1 LEU 119 HB3 0.01 -0.04 -0.08 -0.04 1.64 1.49 2d63A1 LEU 119 HG 0.28 0.11 0.02 -0.04 1.64 2.01 2d63A1 LEU 119 HD13 0.12 -0.03 -0.13 -0.04 0.93 0.85 2d63A1 LEU 119 HD23 0.07 -0.02 -0.06 -0.04 0.89 0.83 2d63A1 ALA 120 H 0.03 0.60 -0.11 -0.55 8.40 8.37 2d63A1 ALA 120 HA -0.01 0.08 0.33 -0.75 4.34 3.99 2d63A1 ALA 120 HB3 0.03 -0.01 0.09 -0.04 1.41 1.48 2d63A1 LYS 121 H -0.05 0.37 -0.26 -0.55 8.42 7.92 2d63A1 LYS 121 HA -0.03 0.17 0.84 -0.75 4.32 4.55 2d63A1 LYS 121 HB2 -0.02 0.03 0.06 -0.04 1.87 1.89 2d63A1 LYS 121 HB3 -0.01 -0.10 0.08 -0.04 1.79 1.71 2d63A1 LYS 121 HG2 0.01 0.19 0.07 -0.04 1.46 1.68 2d63A1 LYS 121 HG3 0.01 -0.10 0.01 -0.04 1.46 1.34 2d63A1 LYS 121 HD2 -0.00 0.10 -0.19 -0.04 1.69 1.56 2d63A1 LYS 121 HD3 0.00 -0.03 -0.03 -0.04 1.68 1.58 2d63A1 LYS 121 HE2 -0.01 0.01 0.06 -0.04 2.99 3.01 2d63A1 LYS 121 HE3 -0.00 -0.03 0.01 -0.04 2.99 2.92 2d63A1 ASN 122 H -0.22 0.41 -0.02 -0.55 8.53 8.16 2d63A1 ASN 122 HA -0.09 0.19 1.06 -0.75 4.76 5.17 2d63A1 ASN 122 HB2 -0.64 0.13 0.07 -0.04 2.88 2.39 2d63A1 ASN 122 HB3 -0.17 -0.12 0.13 -0.04 2.79 2.59 2d63A1 ASN 122 HD21 0.06 -0.04 -0.05 -0.04 7.03 6.96 2d63A1 ASN 122 HD22 -0.18 0.30 0.11 -0.04 7.74 7.93 2d63A1 THR 123 H -0.14 0.55 0.06 -0.55 8.28 8.20 2d63A1 THR 123 HA -0.06 0.16 0.96 -0.75 4.39 4.70 2d63A1 THR 123 HB -0.03 -0.14 0.20 -0.04 4.32 4.30 2d63A1 THR 123 HG23 -0.21 0.01 -0.16 -0.04 1.22 0.82 2d63A1 SER 124 H -0.01 0.08 0.16 -0.55 8.46 8.15 2d63A1 SER 124 HA -0.00 0.21 0.62 -0.75 4.49 4.57 2d63A1 SER 124 HB2 0.02 -0.00 0.12 -0.04 3.95 4.04 2d63A1 SER 124 HB3 0.01 -0.02 0.06 -0.04 3.93 3.94 2d63A1 VAL 125 H -0.01 -0.06 -0.23 -0.55 8.24 7.40 2d63A1 VAL 125 HA 0.03 0.08 0.40 -0.75 4.13 3.89 2d63A1 VAL 125 HB -0.01 0.06 -0.08 -0.04 2.12 2.05 2d63A1 VAL 125 HG13 -0.01 -0.01 -0.23 -0.04 0.97 0.68 2d63A1 VAL 125 HG23 0.03 0.02 0.04 -0.04 0.95 1.00 2d63A1 LYS 126 H 0.02 -0.08 0.28 -0.55 8.42 8.09 2d63A1 LYS 126 HA -0.01 0.28 0.92 -0.75 4.32 4.76 2d63A1 LYS 126 HB2 0.01 -0.07 0.08 -0.04 1.87 1.84 2d63A1 LYS 126 HB3 -0.01 -0.05 0.12 -0.04 1.79 1.81 2d63A1 LYS 126 HG2 0.01 0.39 -0.18 -0.04 1.46 1.65 2d63A1 LYS 126 HG3 0.01 -0.11 0.00 -0.04 1.46 1.32 2d63A1 LYS 126 HD2 -0.00 -0.12 0.03 -0.04 1.69 1.57 2d63A1 LYS 126 HD3 -0.00 0.16 0.05 -0.04 1.68 1.85 2d63A1 LYS 126 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 2d63A1 LYS 126 HE3 -0.00 0.13 -0.17 -0.04 2.99 2.91 2d63A1 ARG 129 H -0.00 0.00 0.26 -0.55 8.46 8.16 2d63A1 ARG 129 HA -0.14 0.40 1.10 -0.75 4.34 4.95 2d63A1 ARG 129 HB2 0.01 -0.06 0.05 -0.04 1.90 1.86 2d63A1 ARG 129 HB3 -0.34 0.01 -0.05 -0.04 1.80 1.38 2d63A1 ARG 129 HG2 -0.11 0.09 -0.16 -0.04 1.67 1.45 2d63A1 ARG 129 HG3 -0.02 -0.06 -0.23 -0.04 1.67 1.32 2d63A1 ARG 129 HD2 -0.21 -0.01 -0.09 -0.04 3.22 2.86 2d63A1 ARG 129 HD3 -0.03 0.01 -0.06 -0.04 3.22 3.09 2d63A1 VAL 133 H -0.28 0.68 0.35 -0.55 8.24 8.43 2d63A1 VAL 133 HA -0.17 0.22 0.99 -0.75 4.13 4.41 2d63A1 VAL 133 HB -0.40 -0.03 0.01 -0.04 2.12 1.65 2d63A1 VAL 133 HG13 -0.76 -0.02 -0.22 -0.04 0.97 -0.07 2d63A1 VAL 133 HG23 -0.46 0.01 -0.26 -0.04 0.95 0.21 2d63A1 TRP 134 H 0.08 0.78 0.37 -0.55 7.97 8.66 2d63A1 TRP 134 HA -0.09 0.32 1.04 -0.75 4.62 5.13 2d63A1 TRP 134 HB2 -0.26 -0.06 0.21 -0.04 3.23 3.07 2d63A1 TRP 134 HB3 0.08 -0.01 -0.08 -0.04 3.23 3.19 2d63A1 TRP 134 HD1 -0.22 0.18 -0.15 -0.04 7.22 6.98 2d63A1 TRP 134 HE1 -0.09 -0.01 -0.09 -0.04 10.20 9.96 2d63A1 TRP 134 HE3 0.05 -0.04 -0.52 -0.04 7.59 7.05 2d63A1 TRP 134 HZ2 -0.02 0.11 -0.15 -0.04 7.44 7.33 2d63A1 TRP 134 HZ3 0.01 0.12 -0.13 -0.04 7.13 7.09 2d63A1 TRP 134 HH2 -0.01 0.01 -0.12 -0.04 7.19 7.04 2d63A1 VAL 135 H -0.04 0.72 0.41 -0.55 8.24 8.77 2d63A1 VAL 135 HA -0.08 0.17 0.97 -0.75 4.13 4.43 2d63A1 VAL 135 HB -0.00 -0.09 0.07 -0.04 2.12 2.05 2d63A1 VAL 135 HG13 -0.07 -0.01 -0.25 -0.04 0.97 0.61 2d63A1 VAL 135 HG23 -0.06 0.04 -0.16 -0.04 0.95 0.74 2d63A1 SER 136 H -0.28 0.06 0.14 -0.55 8.46 7.83 2d63A1 SER 136 HA -1.30 0.22 0.53 -0.75 4.49 3.19 2d63A1 SER 136 HB2 -0.47 -0.01 -0.00 -0.04 3.95 3.43 2d63A1 SER 136 HB3 -0.50 0.01 0.09 -0.04 3.93 3.49 2d63A1 ASN 137 H -0.12 0.36 0.13 -0.55 8.53 8.35 2d63A1 ASN 137 HA -0.01 0.05 0.80 -0.75 4.76 4.84 2d63A1 ASN 137 HB2 -0.00 0.03 -0.11 -0.04 2.88 2.76 2d63A1 ASN 137 HB3 0.04 -0.02 0.05 -0.04 2.79 2.83 2d63A1 ASN 137 HD21 0.08 0.02 -0.05 -0.04 7.03 7.03 2d63A1 ASN 137 HD22 0.08 -0.08 -0.02 -0.04 7.74 7.69 2d63A1 PRO 138 HA 0.03 0.10 0.36 -0.51 4.44 4.43 2d63A1 PRO 138 HB2 0.01 0.07 0.06 -0.04 2.28 2.38 2d63A1 PRO 138 HB3 0.11 0.05 0.09 -0.04 2.02 2.22 2d63A1 PRO 138 HG2 -0.24 -0.04 -0.10 -0.04 2.03 1.61 2d63A1 PRO 138 HG3 -0.28 0.07 0.00 -0.04 2.03 1.79 2d63A1 PRO 138 HD2 0.05 0.01 0.36 -0.04 3.68 4.06 2d63A1 PRO 138 HD3 0.17 0.11 0.15 -0.04 3.65 4.03 2d63A1 SER 139 H 0.03 0.17 0.13 -0.55 8.46 8.25 2d63A1 SER 139 HA 0.03 0.20 0.73 -0.75 4.49 4.70 2d63A1 SER 139 HB2 0.04 0.46 -0.13 -0.04 3.95 4.28 2d63A1 SER 139 HB3 0.13 -0.02 -0.07 -0.04 3.93 3.93 2d63A1 TRP 140 H 0.38 0.14 0.17 -0.55 7.97 8.12 2d63A1 TRP 140 HA -0.11 0.11 0.48 -0.75 4.62 4.34 2d63A1 TRP 140 HB2 -0.12 0.13 0.15 -0.04 3.23 3.34 2d63A1 TRP 140 HB3 -0.67 -0.05 0.18 -0.04 3.23 2.64 2d63A1 TRP 140 HD1 -0.12 0.07 -0.02 -0.04 7.22 7.10 2d63A1 TRP 140 HE1 -0.04 0.01 -0.02 -0.04 10.20 10.12 2d63A1 TRP 140 HE3 -1.08 0.02 -0.07 -0.04 7.59 6.42 2d63A1 TRP 140 HZ2 -0.04 0.02 -0.03 -0.04 7.44 7.34 2d63A1 TRP 140 HZ3 -0.13 0.09 -0.14 -0.04 7.13 6.91 2d63A1 TRP 140 HH2 -0.07 -0.00 -0.06 -0.04 7.19 7.02 2d63A1 PRO 141 HA -0.12 0.12 0.39 -0.51 4.44 4.32 2d63A1 PRO 141 HB2 -0.23 0.04 0.02 -0.04 2.28 2.06 2d63A1 PRO 141 HB3 -0.13 0.10 0.14 -0.04 2.02 2.09 2d63A1 PRO 141 HG2 -0.48 -0.08 0.09 -0.04 2.03 1.52 2d63A1 PRO 141 HG3 -0.17 0.04 0.07 -0.04 2.03 1.93 2d63A1 PRO 141 HD2 -0.18 0.03 0.25 -0.04 3.68 3.74 2d63A1 PRO 141 HD3 -0.07 0.30 0.27 -0.04 3.65 4.10 2d63A1 ASN 142 H -1.21 0.08 -0.24 -0.55 8.53 6.61 2d63A1 ASN 142 HA -0.38 0.12 0.41 -0.75 4.76 4.15 2d63A1 ASN 142 HB2 -1.22 -0.06 0.06 -0.04 2.88 1.62 2d63A1 ASN 142 HB3 -1.61 0.02 -0.06 -0.04 2.79 1.10 2d63A1 ASN 142 HD21 -0.13 0.09 -0.03 -0.04 7.03 6.92 2d63A1 ASN 142 HD22 -0.22 -0.05 -0.05 -0.04 7.74 7.38 2d63A1 HIS 143 H -0.13 0.43 -0.38 -0.55 8.41 7.79 2d63A1 HIS 143 HA 0.09 0.04 0.37 -0.75 4.63 4.37 2d63A1 HIS 143 HB2 0.16 0.23 0.13 -0.04 3.26 3.73 2d63A1 HIS 143 HB3 0.24 0.06 -0.08 -0.04 3.20 3.38 2d63A1 HIS 143 HD2 0.31 0.02 -0.05 -0.04 6.97 7.20 2d63A1 HIS 143 HE1 -0.49 -0.03 0.03 -0.04 7.75 7.22 2d63A1 LYS 144 H 0.09 0.21 -0.13 -0.55 8.42 8.03 2d63A1 LYS 144 HA 0.13 0.09 0.34 -0.75 4.32 4.13 2d63A1 LYS 144 HB2 0.02 -0.01 0.05 -0.04 1.87 1.89 2d63A1 LYS 144 HB3 -0.01 0.05 0.09 -0.04 1.79 1.87 2d63A1 LYS 144 HG2 -0.01 0.02 -0.20 -0.04 1.46 1.23 2d63A1 LYS 144 HG3 -0.01 0.02 0.02 -0.04 1.46 1.45 2d63A1 LYS 144 HD2 -0.03 0.05 -0.02 -0.04 1.69 1.64 2d63A1 LYS 144 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.57 2d63A1 LYS 144 HE2 -0.04 -0.02 -0.00 -0.04 2.99 2.89 2d63A1 LYS 144 HE3 -0.03 0.02 -0.07 -0.04 2.99 2.86 2d63A1 SER 145 H -0.07 0.18 -0.22 -0.55 8.46 7.80 2d63A1 SER 145 HA -0.04 0.08 0.35 -0.75 4.49 4.12 2d63A1 SER 145 HB2 -0.15 -0.01 0.10 -0.04 3.95 3.85 2d63A1 SER 145 HB3 -0.10 0.03 -0.00 -0.04 3.93 3.82 2d63A1 VAL 146 H -0.12 0.57 -0.16 -0.55 8.24 7.98 2d63A1 VAL 146 HA -0.11 0.05 0.41 -0.75 4.13 3.72 2d63A1 VAL 146 HB -0.37 0.06 0.10 -0.04 2.12 1.86 2d63A1 VAL 146 HG13 -0.32 -0.01 -0.32 -0.04 0.97 0.28 2d63A1 VAL 146 HG23 -0.10 -0.01 -0.00 -0.04 0.95 0.80 2d63A1 PHE 147 H -0.14 0.43 -0.09 -0.55 8.34 7.99 2d63A1 PHE 147 HA 0.02 0.05 0.41 -0.75 4.62 4.34 2d63A1 PHE 147 HB2 -0.01 0.06 0.03 -0.04 3.15 3.18 2d63A1 PHE 147 HB3 -0.02 0.04 -0.12 -0.04 3.06 2.93 2d63A1 PHE 147 HD2 0.02 0.08 -0.08 -0.04 7.28 7.25 2d63A1 PHE 147 HE2 -0.02 -0.05 -0.09 -0.04 7.38 7.16 2d63A1 PHE 147 HZ 0.01 -0.06 -0.09 -0.04 7.32 7.13 2d63A1 ASN 148 H 0.07 0.51 -0.18 -0.55 8.53 8.38 2d63A1 ASN 148 HA 0.04 0.27 0.45 -0.75 4.76 4.76 2d63A1 ASN 148 HB2 0.00 0.07 0.15 -0.04 2.88 3.06 2d63A1 ASN 148 HB3 -0.00 -0.05 -0.04 -0.04 2.79 2.66 2d63A1 ASN 148 HD21 -0.02 -0.07 0.00 -0.04 7.03 6.90 2d63A1 ASN 148 HD22 -0.02 -0.05 -0.05 -0.04 7.74 7.58 2d63A1 SER 149 H -0.01 0.37 -0.30 -0.55 8.46 7.98 2d63A1 SER 149 HA -0.00 0.02 0.41 -0.75 4.49 4.17 2d63A1 SER 149 HB2 -0.01 -0.06 0.09 -0.04 3.95 3.92 2d63A1 SER 149 HB3 -0.03 0.01 0.14 -0.04 3.93 4.01 2d63A1 ALA 150 H 0.04 0.29 -0.46 -0.55 8.40 7.72 2d63A1 ALA 150 HA 0.03 0.10 0.58 -0.75 4.34 4.29 2d63A1 ALA 150 HB3 0.08 0.01 -0.03 -0.04 1.41 1.43 2d63A1 GLY 151 H 0.03 0.40 -0.50 -0.55 8.43 7.81 2d63A1 GLY 151 HA2 0.01 -0.01 0.27 -0.51 4.01 3.77 2d63A1 GLY 151 HA3 0.01 0.09 0.55 -0.51 4.01 4.15 2d63A1 LEU 152 H 0.06 0.36 -0.08 -0.55 8.37 8.16 2d63A1 LEU 152 HA -0.00 0.24 0.79 -0.75 4.35 4.63 2d63A1 LEU 152 HB2 0.11 -0.07 -0.10 -0.04 1.64 1.53 2d63A1 LEU 152 HB3 -0.02 -0.03 -0.23 -0.04 1.64 1.32 2d63A1 LEU 152 HG 0.07 0.07 -0.28 -0.04 1.64 1.45 2d63A1 LEU 152 HD13 0.11 -0.05 -0.13 -0.04 0.93 0.82 2d63A1 LEU 152 HD23 0.00 0.00 -0.28 -0.04 0.89 0.58 2d63A1 GLU 154 H -0.06 0.54 0.29 -0.55 8.60 8.83 2d63A1 GLU 154 HA -0.06 0.10 0.74 -0.75 4.29 4.31 2d63A1 GLU 154 HB2 -0.11 -0.04 0.06 -0.04 2.09 1.97 2d63A1 GLU 154 HB3 -0.06 0.03 0.08 -0.04 1.99 2.00 2d63A1 GLU 154 HG2 -0.08 0.32 0.17 -0.04 2.34 2.71 2d63A1 GLU 154 HG3 -0.17 -0.15 -0.04 -0.04 2.34 1.94 2d63A1 VAL 155 H -0.11 0.16 0.19 -0.55 8.24 7.93 2d63A1 VAL 155 HA -0.26 0.32 1.09 -0.75 4.13 4.54 2d63A1 VAL 155 HB -0.07 -0.05 0.11 -0.04 2.12 2.07 2d63A1 VAL 155 HG13 -0.09 -0.02 -0.18 -0.04 0.97 0.63 2d63A1 VAL 155 HG23 0.02 0.01 -0.14 -0.04 0.95 0.80 2d63A1 ARG 156 H -0.55 0.68 0.39 -0.55 8.46 8.43 2d63A1 ARG 156 HA -0.38 0.13 0.87 -0.75 4.34 4.20 2d63A1 ARG 156 HB2 -2.41 -0.01 -0.04 -0.04 1.90 -0.61 2d63A1 ARG 156 HB3 -1.28 0.04 0.02 -0.04 1.80 0.54 2d63A1 ARG 156 HG2 -0.64 -0.07 -0.41 -0.04 1.67 0.51 2d63A1 ARG 156 HG3 -0.96 0.03 -0.12 -0.04 1.67 0.58 2d63A1 ARG 156 HD2 -0.32 0.04 0.02 -0.04 3.22 2.91 2d63A1 ARG 156 HD3 -0.27 -0.00 -0.11 -0.04 3.22 2.80 2d63A1 GLU 157 H -0.13 0.15 0.15 -0.55 8.60 8.22 2d63A1 GLU 157 HA -0.04 0.42 1.02 -0.75 4.29 4.93 2d63A1 GLU 157 HB2 0.01 -0.04 0.02 -0.04 2.09 2.04 2d63A1 GLU 157 HB3 -0.02 -0.01 -0.14 -0.04 1.99 1.78 2d63A1 GLU 157 HG2 -0.06 0.07 -0.21 -0.04 2.34 2.09 2d63A1 GLU 157 HG3 -0.07 -0.03 -0.20 -0.04 2.34 1.99 2d63A1 TYR 158 H -0.20 0.51 0.24 -0.55 8.29 8.28 2d63A1 TYR 158 HA 0.17 0.16 0.86 -0.75 4.56 5.00 2d63A1 TYR 158 HB2 -0.01 0.04 0.01 -0.04 3.06 3.06 2d63A1 TYR 158 HB3 0.14 0.05 -0.20 -0.04 2.98 2.92 2d63A1 TYR 158 HD2 0.13 0.18 -0.29 -0.04 7.15 7.13 2d63A1 TYR 158 HE2 -0.03 0.05 -0.17 -0.04 6.85 6.66 2d63A1 ALA 159 H 0.19 0.15 0.10 -0.55 8.40 8.30 2d63A1 ALA 159 HA 0.13 0.03 0.41 -0.75 4.34 4.16 2d63A1 ALA 159 HB3 0.09 0.02 -0.10 -0.04 1.41 1.38 2d63A1 TYR 160 H 0.17 0.15 0.20 -0.55 8.29 8.27 2d63A1 TYR 160 HA 0.10 0.08 0.64 -0.75 4.56 4.62 2d63A1 TYR 160 HB2 0.05 0.10 -0.23 -0.04 3.06 2.95 2d63A1 TYR 160 HB3 -0.02 0.16 0.07 -0.04 2.98 3.15 2d63A1 TYR 160 HD2 -0.00 0.06 -0.08 -0.04 7.15 7.08 2d63A1 TYR 160 HE2 -0.33 -0.01 -0.04 -0.04 6.85 6.42 2d63A1 TYR 161 H 0.29 0.46 0.34 -0.55 8.29 8.83 2d63A1 TYR 161 HA -0.10 0.19 0.82 -0.75 4.56 4.72 2d63A1 TYR 161 HB2 0.09 -0.01 0.07 -0.04 3.06 3.17 2d63A1 TYR 161 HB3 0.09 0.03 0.18 -0.04 2.98 3.23 2d63A1 TYR 161 HD2 0.12 -0.04 -0.17 -0.04 7.15 7.02 2d63A1 TYR 161 HE2 0.23 0.08 -0.19 -0.04 6.85 6.94 2d63A1 ASP 162 H -0.50 0.77 0.29 -0.55 8.40 8.41 2d63A1 ASP 162 HA -0.18 0.15 0.83 -0.75 4.63 4.68 2d63A1 ASP 162 HB2 -0.17 0.02 -0.01 -0.04 2.71 2.51 2d63A1 ASP 162 HB3 -0.30 -0.08 0.17 -0.04 2.70 2.44 2d63A1 ALA 163 H -0.13 0.28 0.06 -0.55 8.40 8.06 2d63A1 ALA 163 HA -0.20 0.11 0.33 -0.75 4.34 3.83 2d63A1 ALA 163 HB3 0.04 0.03 0.07 -0.04 1.41 1.51 2d63A1 GLU 164 H -0.24 -0.03 -0.30 -0.55 8.60 7.49 2d63A1 GLU 164 HA -0.30 0.22 0.61 -0.75 4.29 4.07 2d63A1 GLU 164 HB2 -0.16 -0.10 0.07 -0.04 2.09 1.86 2d63A1 GLU 164 HB3 -0.15 0.06 -0.03 -0.04 1.99 1.83 2d63A1 GLU 164 HG2 -0.11 0.08 0.01 -0.04 2.34 2.28 2d63A1 GLU 164 HG3 -0.10 -0.07 -0.02 -0.04 2.34 2.11 2d63A1 ASN 165 H -0.32 -0.01 -0.10 -0.55 8.53 7.55 2d63A1 ASN 165 HA -0.21 0.26 0.80 -0.75 4.76 4.85 2d63A1 ASN 165 HB2 -0.17 -0.09 0.01 -0.04 2.88 2.59 2d63A1 ASN 165 HB3 -0.10 0.04 0.07 -0.04 2.79 2.76 2d63A1 ASN 165 HD21 -0.06 0.01 -0.04 -0.04 7.03 6.89 2d63A1 ASN 165 HD22 -0.06 0.03 -0.00 -0.04 7.74 7.67 2d63A1 HIS 166 H -0.68 0.25 -0.26 -0.55 8.41 7.18 2d63A1 HIS 166 HA -0.41 0.01 0.25 -0.75 4.63 3.72 2d63A1 HIS 166 HB2 -0.18 0.12 0.01 -0.04 3.26 3.18 2d63A1 HIS 166 HB3 -0.16 -0.00 0.11 -0.04 3.20 3.11 2d63A1 HIS 166 HD2 -0.34 -0.03 -0.19 -0.04 6.97 6.36 2d63A1 HIS 166 HE1 -0.36 0.00 0.02 -0.04 7.75 7.37 2d63A1 THR 167 H -0.38 0.11 -0.04 -0.55 8.28 7.42 2d63A1 THR 167 HA 0.04 0.23 0.69 -0.75 4.39 4.60 2d63A1 THR 167 HB -0.02 0.23 -0.25 -0.04 4.32 4.24 2d63A1 THR 167 HG23 -0.10 -0.04 -0.28 -0.04 1.22 0.76 2d63A1 LEU 168 H -0.07 0.19 0.12 -0.55 8.37 8.06 2d63A1 LEU 168 HA -0.25 0.26 0.70 -0.75 4.35 4.30 2d63A1 LEU 168 HB2 -0.18 0.04 -0.01 -0.04 1.64 1.44 2d63A1 LEU 168 HB3 -0.14 -0.07 0.11 -0.04 1.64 1.50 2d63A1 LEU 168 HG -0.97 0.08 -0.10 -0.04 1.64 0.61 2d63A1 LEU 168 HD13 -0.20 -0.01 -0.22 -0.04 0.93 0.46 2d63A1 LEU 168 HD23 -0.10 -0.00 -0.30 -0.04 0.89 0.45 2d63A1 ASP 169 H -0.14 0.66 0.16 -0.55 8.40 8.53 2d63A1 ASP 169 HA -0.04 0.12 0.65 -0.75 4.63 4.61 2d63A1 ASP 169 HB2 -0.08 0.04 -0.04 -0.04 2.71 2.58 2d63A1 ASP 169 HB3 -0.03 0.02 0.05 -0.04 2.70 2.69 2d63A1 PHE 170 H 0.11 0.40 -0.04 -0.55 8.34 8.27 2d63A1 PHE 170 HA -0.07 0.09 0.30 -0.75 4.62 4.19 2d63A1 PHE 170 HB2 -0.08 0.05 0.08 -0.04 3.15 3.16 2d63A1 PHE 170 HB3 -0.05 0.02 0.04 -0.04 3.06 3.03 2d63A1 PHE 170 HD2 -0.06 0.01 -0.05 -0.04 7.28 7.14 2d63A1 PHE 170 HE2 -0.03 0.05 -0.03 -0.04 7.38 7.33 2d63A1 PHE 170 HZ 0.01 0.07 0.01 -0.04 7.32 7.36 2d63A1 ASP 171 H 0.05 0.09 -0.20 -0.55 8.40 7.79 2d63A1 ASP 171 HA -0.10 0.12 0.42 -0.75 4.63 4.32 2d63A1 ASP 171 HB2 -0.00 -0.04 0.03 -0.04 2.71 2.65 2d63A1 ASP 171 HB3 -0.02 0.08 -0.04 -0.04 2.70 2.68 2d63A1 ALA 172 H -0.02 0.08 -0.26 -0.55 8.40 7.66 2d63A1 ALA 172 HA -0.01 0.09 0.41 -0.75 4.34 4.07 2d63A1 ALA 172 HB3 0.01 0.03 0.02 -0.04 1.41 1.42 2d63A1 LEU 173 H -0.05 0.40 -0.28 -0.55 8.37 7.89 2d63A1 LEU 173 HA 0.09 0.18 0.32 -0.75 4.35 4.18 2d63A1 LEU 173 HB2 0.02 0.01 0.01 -0.04 1.64 1.64 2d63A1 LEU 173 HB3 -0.23 0.06 0.13 -0.04 1.64 1.55 2d63A1 LEU 173 HG 0.25 0.16 0.02 -0.04 1.64 2.03 2d63A1 LEU 173 HD13 0.22 -0.03 -0.04 -0.04 0.93 1.04 2d63A1 LEU 173 HD23 -0.14 -0.02 -0.25 -0.04 0.89 0.44 2d63A1 ILE 174 H -0.31 0.49 -0.07 -0.55 8.25 7.81 2d63A1 ILE 174 HA -0.13 0.04 0.32 -0.75 4.18 3.65 2d63A1 ILE 174 HB -0.19 0.05 0.12 -0.04 1.89 1.83 2d63A1 ILE 174 HG12 -0.84 0.25 0.13 -0.04 1.49 0.99 2d63A1 ILE 174 HG13 -0.46 -0.05 -0.01 -0.04 1.21 0.65 2d63A1 ILE 174 HG23 -0.07 0.00 -0.13 -0.04 0.93 0.69 2d63A1 ILE 174 HD13 -0.36 -0.01 -0.04 -0.04 0.88 0.42 2d63A1 ASN 175 H -0.08 0.45 -0.18 -0.55 8.53 8.17 2d63A1 ASN 175 HA -0.03 0.04 0.38 -0.75 4.76 4.40 2d63A1 ASN 175 HB2 -0.02 0.03 0.13 -0.04 2.88 2.98 2d63A1 ASN 175 HB3 -0.01 -0.02 0.02 -0.04 2.79 2.74 2d63A1 ASN 175 HD21 -0.02 -0.10 -0.03 -0.04 7.03 6.83 2d63A1 ASN 175 HD22 -0.02 -0.06 -0.12 -0.04 7.74 7.49 2d63A1 SER 176 H -0.03 0.54 -0.24 -0.55 8.46 8.19 2d63A1 SER 176 HA 0.03 0.02 0.50 -0.75 4.49 4.28 2d63A1 SER 176 HB2 0.06 0.19 0.24 -0.04 3.95 4.40 2d63A1 SER 176 HB3 0.15 -0.03 0.20 -0.04 3.93 4.20 2d63A1 LEU 177 H -0.16 0.54 -0.06 -0.55 8.37 8.15 2d63A1 LEU 177 HA -0.76 0.04 0.42 -0.75 4.35 3.30 2d63A1 LEU 177 HB2 -0.14 0.10 0.08 -0.04 1.64 1.63 2d63A1 LEU 177 HB3 -0.58 -0.01 0.03 -0.04 1.64 1.04 2d63A1 LEU 177 HG -0.50 0.04 -0.01 -0.04 1.64 1.13 2d63A1 LEU 177 HD13 -0.54 -0.03 -0.11 -0.04 0.93 0.21 2d63A1 LEU 177 HD23 -1.15 -0.00 -0.10 -0.04 0.89 -0.40 2d63A1 ASN 178 H -0.07 0.31 -0.48 -0.55 8.53 7.74 2d63A1 ASN 178 HA 0.08 0.08 0.44 -0.75 4.76 4.61 2d63A1 ASN 178 HB2 -0.01 0.15 0.08 -0.04 2.88 3.05 2d63A1 ASN 178 HB3 0.01 -0.05 0.06 -0.04 2.79 2.77 2d63A1 ASN 178 HD21 -0.00 -0.09 -0.06 -0.04 7.03 6.83 2d63A1 ASN 178 HD22 0.03 0.05 0.01 -0.04 7.74 7.79 2d63A1 GLU 179 H -0.17 0.31 -0.47 -0.55 8.60 7.73 2d63A1 GLU 179 HA 0.03 0.08 0.53 -0.75 4.29 4.18 2d63A1 GLU 179 HB2 0.05 -0.02 0.08 -0.04 2.09 2.15 2d63A1 GLU 179 HB3 0.05 0.08 0.03 -0.04 1.99 2.10 2d63A1 GLU 179 HG2 0.25 -0.02 0.11 -0.04 2.34 2.63 2d63A1 GLU 179 HG3 0.11 -0.02 0.07 -0.04 2.34 2.46 2d63A1 ALA 180 H -0.31 0.46 -0.54 -0.55 8.40 7.47 2d63A1 ALA 180 HA -0.14 -0.02 0.57 -0.75 4.34 4.00 2d63A1 ALA 180 HB3 -1.15 0.01 0.01 -0.04 1.41 0.24 2d63A1 GLN 181 H 0.22 0.05 0.11 -0.55 8.47 8.31 2d63A1 GLN 181 HA 0.16 0.17 0.65 -0.75 4.36 4.59 2d63A1 GLN 181 HB2 0.16 -0.03 0.03 -0.04 2.15 2.26 2d63A1 GLN 181 HB3 0.11 0.00 0.10 -0.04 2.02 2.19 2d63A1 GLN 181 HG2 0.10 0.01 -0.05 -0.04 2.40 2.42 2d63A1 GLN 181 HG3 0.16 0.08 -0.06 -0.04 2.39 2.53 2d63A1 GLN 181 HE21 0.07 -0.04 0.00 -0.04 6.97 6.96 2d63A1 GLN 181 HE22 0.07 -0.00 -0.01 -0.04 7.69 7.72 2d63A1 ALA 182 H 0.11 0.06 0.18 -0.55 8.40 8.19 2d63A1 ALA 182 HA 0.17 0.22 0.42 -0.75 4.34 4.40 2d63A1 ALA 182 HB3 0.04 -0.00 0.17 -0.04 1.41 1.58 2d63A1 GLY 183 H 0.18 0.76 0.37 -0.55 8.43 9.20 2d63A1 GLY 183 HA2 0.11 -0.05 0.37 -0.51 4.01 3.94 2d63A1 GLY 183 HA3 0.10 0.10 0.69 -0.51 4.01 4.39 2d63A1 ASP 184 H 0.25 0.45 -0.18 -0.55 8.40 8.37 2d63A1 ASP 184 HA 0.14 0.02 0.69 -0.75 4.63 4.73 2d63A1 ASP 184 HB2 0.21 0.33 0.05 -0.04 2.71 3.25 2d63A1 ASP 184 HB3 0.27 -0.04 -0.11 -0.04 2.70 2.78 2d63A1 VAL 185 H 0.08 0.56 0.37 -0.55 8.24 8.69 2d63A1 VAL 185 HA 0.06 0.23 0.95 -0.75 4.13 4.62 2d63A1 VAL 185 HB -0.10 0.01 0.22 -0.04 2.12 2.21 2d63A1 VAL 185 HG13 -0.11 0.00 -0.20 -0.04 0.97 0.63 2d63A1 VAL 185 HG23 0.02 0.02 -0.04 -0.04 0.95 0.90 2d63A1 VAL 186 H -0.05 0.47 0.14 -0.55 8.24 8.25 2d63A1 VAL 186 HA -0.17 0.12 1.01 -0.75 4.13 4.34 2d63A1 VAL 186 HB -0.26 -0.04 0.00 -0.04 2.12 1.78 2d63A1 VAL 186 HG13 -1.04 -0.01 -0.20 -0.04 0.97 -0.32 2d63A1 VAL 186 HG23 -1.04 0.02 -0.24 -0.04 0.95 -0.35 2d63A1 LEU 187 H -0.19 0.83 0.32 -0.55 8.37 8.79 2d63A1 LEU 187 HA -0.27 0.29 1.04 -0.75 4.35 4.65 2d63A1 LEU 187 HB2 -0.24 0.00 0.01 -0.04 1.64 1.36 2d63A1 LEU 187 HB3 -0.18 -0.04 0.19 -0.04 1.64 1.56 2d63A1 LEU 187 HG -0.13 0.17 0.02 -0.04 1.64 1.66 2d63A1 LEU 187 HD13 -0.22 -0.02 -0.08 -0.04 0.93 0.56 2d63A1 LEU 187 HD23 -0.22 -0.05 -0.30 -0.04 0.89 0.28 2d63A1 PHE 188 H -0.26 0.63 0.40 -0.55 8.34 8.56 2d63A1 PHE 188 HA 0.12 0.15 0.95 -0.75 4.62 5.08 2d63A1 PHE 188 HB2 -1.32 -0.03 -0.03 -0.04 3.15 1.72 2d63A1 PHE 188 HB3 0.03 0.03 -0.09 -0.04 3.06 2.99 2d63A1 PHE 188 HD2 -0.33 -0.04 -0.07 -0.04 7.28 6.80 2d63A1 PHE 188 HE2 0.07 0.01 -0.12 -0.04 7.38 7.31 2d63A1 PHE 188 HZ 0.13 0.04 -0.13 -0.04 7.32 7.32 2d63A1 HIS 189 H 0.58 0.18 0.15 -0.55 8.41 8.77 2d63A1 HIS 189 HA 0.20 0.19 0.87 -0.75 4.63 5.14 2d63A1 HIS 189 HB2 0.31 -0.01 0.09 -0.04 3.26 3.61 2d63A1 HIS 189 HB3 0.21 0.05 -0.01 -0.04 3.20 3.41 2d63A1 HIS 189 HD2 0.10 0.01 -0.04 -0.04 6.97 6.99 2d63A1 HIS 189 HE1 -0.17 0.14 0.20 -0.04 7.75 7.88 2d63A1 GLY 190 H 0.36 0.50 0.22 -0.55 8.43 8.97 2d63A1 GLY 190 HA2 0.09 0.04 0.29 -0.51 4.01 3.93 2d63A1 GLY 190 HA3 -0.08 -0.05 0.31 -0.51 4.01 3.69 2d63A1 CYS 191 H 0.50 0.23 -0.10 -0.55 8.50 8.59 2d63A1 CYS 191 HA 0.44 0.14 0.38 -0.75 4.58 4.79 2d63A1 CYS 191 HB2 0.31 -0.08 0.13 -0.04 2.97 3.30 2d63A1 CYS 191 HB3 0.40 0.37 -0.05 -0.04 2.97 3.64 2d63A1 CYS 192 H 0.26 0.18 -0.00 -0.55 8.50 8.40 2d63A1 CYS 192 HA 0.14 0.18 0.13 -0.75 4.58 4.27 2d63A1 CYS 192 HB2 0.15 0.04 -0.13 -0.04 2.97 2.98 2d63A1 CYS 192 HB3 -0.21 0.03 0.04 -0.04 2.97 2.78 2d63A1 HIS 193 H 0.29 0.09 -0.34 -0.55 8.41 7.91 2d63A1 HIS 193 HA 0.06 0.01 0.25 -0.75 4.63 4.20 2d63A1 HIS 193 HB2 0.09 0.14 -0.04 -0.04 3.26 3.41 2d63A1 HIS 193 HB3 0.05 -0.21 -0.05 -0.04 3.20 2.96 2d63A1 HIS 193 HD2 -0.63 -0.04 0.03 -0.04 6.97 6.29 2d63A1 HIS 193 HE1 -0.31 0.20 -0.24 -0.04 7.75 7.36 2d63A1 ASN 194 H -0.24 0.15 0.18 -0.55 8.53 8.07 2d63A1 ASN 194 HA -0.06 0.17 0.68 -0.75 4.76 4.80 2d63A1 ASN 194 HB2 0.13 0.10 0.05 -0.04 2.88 3.12 2d63A1 ASN 194 HB3 0.00 -0.08 0.16 -0.04 2.79 2.83 2d63A1 ASN 194 HD21 0.09 -0.01 -0.03 -0.04 7.03 7.03 2d63A1 ASN 194 HD22 -0.07 -0.03 -0.01 -0.04 7.74 7.59 2d63A1 PRO 195 HA -0.20 0.06 0.28 -0.51 4.44 4.06 2d63A1 PRO 195 HB2 -0.10 0.06 -0.06 -0.04 2.28 2.13 2d63A1 PRO 195 HB3 -0.19 -0.02 -0.04 -0.04 2.02 1.73 2d63A1 PRO 195 HG2 -0.81 0.08 -0.17 -0.04 2.03 1.09 2d63A1 PRO 195 HG3 -0.12 0.04 -0.07 -0.04 2.03 1.84 2d63A1 PRO 195 HD2 -0.16 0.14 -0.13 -0.04 3.68 3.48 2d63A1 PRO 195 HD3 -0.07 0.13 -0.10 -0.04 3.65 3.56 2d63A1 THR 196 H -0.01 0.09 -0.27 -0.55 8.28 7.55 2d63A1 THR 196 HA -0.48 0.14 0.33 -0.75 4.39 3.63 2d63A1 THR 196 HB -0.40 0.07 -0.04 -0.04 4.32 3.91 2d63A1 THR 196 HG23 -0.63 0.01 -0.08 -0.04 1.22 0.49 2d63A1 GLY 197 H 0.15 0.43 -0.14 -0.55 8.43 8.32 2d63A1 GLY 197 HA2 0.13 0.05 0.23 -0.51 4.01 3.92 2d63A1 GLY 197 HA3 0.14 0.24 0.53 -0.51 4.01 4.41 2d63A1 ILE 198 H 0.14 -0.01 -0.40 -0.55 8.25 7.43 2d63A1 ILE 198 HA 0.14 0.25 0.84 -0.75 4.18 4.65 2d63A1 ILE 198 HB 0.12 -0.10 -0.06 -0.04 1.89 1.82 2d63A1 ILE 198 HG12 0.21 0.07 -0.32 -0.04 1.49 1.42 2d63A1 ILE 198 HG13 0.37 -0.04 -0.24 -0.04 1.21 1.26 2d63A1 ILE 198 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.70 2d63A1 ILE 198 HD13 0.20 0.06 -0.15 -0.04 0.88 0.94 2d63A1 ASP 199 H 0.12 0.27 0.17 -0.55 8.40 8.41 2d63A1 ASP 199 HA 0.20 0.19 0.92 -0.75 4.63 5.19 2d63A1 ASP 199 HB2 0.20 0.04 0.05 -0.04 2.71 2.96 2d63A1 ASP 199 HB3 0.34 0.16 0.09 -0.04 2.70 3.25 2d63A1 PRO 200 HA -0.28 0.03 0.52 -0.51 4.44 4.20 2d63A1 PRO 200 HB2 -1.64 0.05 -0.04 -0.04 2.28 0.60 2d63A1 PRO 200 HB3 -0.59 -0.02 0.02 -0.04 2.02 1.39 2d63A1 PRO 200 HG2 -1.52 0.08 0.01 -0.04 2.03 0.56 2d63A1 PRO 200 HG3 -0.31 0.05 -0.00 -0.04 2.03 1.73 2d63A1 PRO 200 HD2 -0.46 0.13 0.17 -0.04 3.68 3.48 2d63A1 PRO 200 HD3 -0.02 0.12 0.21 -0.04 3.65 3.92 2d63A1 THR 201 H -0.23 0.05 0.20 -0.55 8.28 7.75 2d63A1 THR 201 HA 0.04 0.21 0.55 -0.75 4.39 4.44 2d63A1 THR 201 HB -0.01 -0.01 0.20 -0.04 4.32 4.45 2d63A1 THR 201 HG23 -0.06 0.06 0.10 -0.04 1.22 1.28 2d63A1 LEU 202 H 0.11 0.22 0.16 -0.55 8.37 8.32 2d63A1 LEU 202 HA 0.39 0.12 0.37 -0.75 4.35 4.48 2d63A1 LEU 202 HB2 0.14 0.05 0.13 -0.04 1.64 1.92 2d63A1 LEU 202 HB3 0.09 -0.01 0.12 -0.04 1.64 1.80 2d63A1 LEU 202 HG 0.10 0.00 -0.18 -0.04 1.64 1.52 2d63A1 LEU 202 HD13 0.13 -0.00 -0.01 -0.04 0.93 1.01 2d63A1 LEU 202 HD23 0.06 0.02 -0.01 -0.04 0.89 0.92 2d63A1 GLU 203 H 0.02 0.09 -0.14 -0.55 8.60 8.02 2d63A1 GLU 203 HA 0.03 0.14 0.38 -0.75 4.29 4.09 2d63A1 GLU 203 HB2 -0.09 -0.00 -0.02 -0.04 2.09 1.94 2d63A1 GLU 203 HB3 -0.03 0.09 0.05 -0.04 1.99 2.06 2d63A1 GLU 203 HG2 -0.01 -0.12 0.09 -0.04 2.34 2.25 2d63A1 GLU 203 HG3 -0.02 0.09 0.03 -0.04 2.34 2.40 2d63A1 GLN 204 H -0.14 0.05 -0.32 -0.55 8.47 7.52 2d63A1 GLN 204 HA -0.31 0.10 0.47 -0.75 4.36 3.87 2d63A1 GLN 204 HB2 -0.42 0.04 0.11 -0.04 2.15 1.84 2d63A1 GLN 204 HB3 -0.75 0.06 0.05 -0.04 2.02 1.33 2d63A1 GLN 204 HG2 -0.99 0.08 0.01 -0.04 2.40 1.45 2d63A1 GLN 204 HG3 -0.38 -0.10 0.06 -0.04 2.39 1.93 2d63A1 GLN 204 HE21 -0.28 0.05 0.05 -0.04 6.97 6.75 2d63A1 GLN 204 HE22 -0.74 0.02 0.03 -0.04 7.69 6.96 2d63A1 TRP 205 H 0.13 0.45 -0.21 -0.55 7.97 7.79 2d63A1 TRP 205 HA 0.18 0.04 0.38 -0.75 4.62 4.46 2d63A1 TRP 205 HB2 0.08 0.08 0.16 -0.04 3.23 3.51 2d63A1 TRP 205 HB3 0.18 0.06 0.00 -0.04 3.23 3.44 2d63A1 TRP 205 HD1 0.07 -0.08 -0.29 -0.04 7.22 6.88 2d63A1 TRP 205 HE1 0.11 0.03 0.02 -0.04 10.20 10.32 2d63A1 TRP 205 HE3 0.20 0.00 -0.01 -0.04 7.59 7.74 2d63A1 TRP 205 HZ2 0.18 0.09 0.00 -0.04 7.44 7.67 2d63A1 TRP 205 HZ3 -0.85 0.01 -0.10 -0.04 7.13 6.14 2d63A1 TRP 205 HH2 0.08 0.03 -0.10 -0.04 7.19 7.16 2d63A1 GLN 206 H 0.24 0.57 -0.13 -0.55 8.47 8.60 2d63A1 GLN 206 HA 0.10 0.05 0.35 -0.75 4.36 4.12 2d63A1 GLN 206 HB2 0.08 0.08 0.17 -0.04 2.15 2.44 2d63A1 GLN 206 HB3 0.05 -0.00 -0.00 -0.04 2.02 2.02 2d63A1 GLN 206 HG2 0.07 0.01 0.04 -0.04 2.40 2.48 2d63A1 GLN 206 HG3 0.13 0.09 0.08 -0.04 2.39 2.66 2d63A1 GLN 206 HE21 0.04 -0.03 -0.05 -0.04 6.97 6.89 2d63A1 GLN 206 HE22 0.05 0.02 -0.03 -0.04 7.69 7.69 2d63A1 THR 207 H 0.11 0.47 -0.18 -0.55 8.28 8.12 2d63A1 THR 207 HA 0.07 0.03 0.43 -0.75 4.39 4.16 2d63A1 THR 207 HB 0.27 0.04 0.16 -0.04 4.32 4.74 2d63A1 THR 207 HG23 0.21 -0.01 -0.09 -0.04 1.22 1.29 2d63A1 LEU 208 H 0.25 0.62 -0.16 -0.55 8.37 8.53 2d63A1 LEU 208 HA 0.23 -0.01 0.40 -0.75 4.35 4.22 2d63A1 LEU 208 HB2 0.42 0.11 0.17 -0.04 1.64 2.30 2d63A1 LEU 208 HB3 0.40 -0.04 -0.03 -0.04 1.64 1.93 2d63A1 LEU 208 HG 0.40 0.07 0.05 -0.04 1.64 2.12 2d63A1 LEU 208 HD13 -0.03 -0.04 -0.09 -0.04 0.93 0.74 2d63A1 LEU 208 HD23 0.21 -0.01 -0.04 -0.04 0.89 1.00 2d63A1 ALA 209 H -0.00 0.58 -0.22 -0.55 8.40 8.22 2d63A1 ALA 209 HA -1.17 -0.01 0.39 -0.75 4.34 2.80 2d63A1 ALA 209 HB3 -0.33 0.03 0.01 -0.04 1.41 1.08 2d63A1 GLN 210 H -0.07 0.49 -0.10 -0.55 8.47 8.24 2d63A1 GLN 210 HA -0.14 0.04 0.41 -0.75 4.36 3.92 2d63A1 GLN 210 HB2 -0.03 0.08 0.18 -0.04 2.15 2.33 2d63A1 GLN 210 HB3 -0.07 -0.04 0.01 -0.04 2.02 1.88 2d63A1 GLN 210 HG2 -0.07 -0.01 0.04 -0.04 2.40 2.32 2d63A1 GLN 210 HG3 -0.04 0.15 0.08 -0.04 2.39 2.54 2d63A1 GLN 210 HE21 -0.03 -0.04 -0.01 -0.04 6.97 6.86 2d63A1 GLN 210 HE22 -0.04 0.02 0.00 -0.04 7.69 7.63 2d63A1 LEU 211 H -0.04 0.56 -0.09 -0.55 8.37 8.26 2d63A1 LEU 211 HA -0.18 -0.00 0.38 -0.75 4.35 3.79 2d63A1 LEU 211 HB2 -0.02 -0.01 0.09 -0.04 1.64 1.66 2d63A1 LEU 211 HB3 0.06 0.07 0.13 -0.04 1.64 1.86 2d63A1 LEU 211 HG -0.53 0.04 -0.25 -0.04 1.64 0.85 2d63A1 LEU 211 HD13 -0.15 -0.01 -0.01 -0.04 0.93 0.72 2d63A1 LEU 211 HD23 0.20 -0.01 -0.06 -0.04 0.89 0.97 2d63A1 SER 212 H -0.00 0.64 -0.18 -0.55 8.46 8.37 2d63A1 SER 212 HA -0.49 -0.04 0.32 -0.75 4.49 3.53 2d63A1 SER 212 HB2 0.62 0.01 0.09 -0.04 3.95 4.63 2d63A1 SER 212 HB3 0.32 0.17 0.17 -0.04 3.93 4.55 2d63A1 VAL 213 H -0.17 0.49 -0.15 -0.55 8.24 7.86 2d63A1 VAL 213 HA -0.18 0.02 0.46 -0.75 4.13 3.67 2d63A1 VAL 213 HB -0.23 0.09 0.19 -0.04 2.12 2.13 2d63A1 VAL 213 HG13 -0.18 -0.02 -0.05 -0.04 0.97 0.67 2d63A1 VAL 213 HG23 -0.63 0.05 0.01 -0.04 0.95 0.34 2d63A1 GLU 214 H -0.23 0.50 -0.05 -0.55 8.60 8.28 2d63A1 GLU 214 HA -0.15 0.00 0.45 -0.75 4.29 3.84 2d63A1 GLU 214 HB2 -0.22 0.10 0.18 -0.04 2.09 2.10 2d63A1 GLU 214 HB3 -0.16 -0.06 0.02 -0.04 1.99 1.75 2d63A1 GLU 214 HG2 -0.11 -0.05 0.05 -0.04 2.34 2.19 2d63A1 GLU 214 HG3 -0.14 0.04 0.08 -0.04 2.34 2.28 2d63A1 LYS 215 H -0.56 0.58 -0.12 -0.55 8.42 7.76 2d63A1 LYS 215 HA -0.32 0.06 0.59 -0.75 4.32 3.90 2d63A1 LYS 215 HB2 -2.09 -0.00 -0.01 -0.04 1.87 -0.27 2d63A1 LYS 215 HB3 -0.90 0.03 -0.01 -0.04 1.79 0.87 2d63A1 LYS 215 HG2 -0.61 0.04 -0.00 -0.04 1.46 0.85 2d63A1 LYS 215 HG3 -0.81 -0.05 -0.08 -0.04 1.46 0.47 2d63A1 LYS 215 HD2 -0.14 0.10 0.03 -0.04 1.69 1.64 2d63A1 LYS 215 HD3 -0.23 0.00 -0.06 -0.04 1.68 1.36 2d63A1 LYS 215 HE2 -0.15 -0.07 -0.04 -0.04 2.99 2.69 2d63A1 LYS 215 HE3 -0.07 -0.01 -0.03 -0.04 2.99 2.84 2d63A1 GLY 216 H -0.27 0.35 -0.33 -0.55 8.43 7.64 2d63A1 GLY 216 HA2 -0.02 0.07 0.36 -0.51 4.01 3.91 2d63A1 GLY 216 HA3 -0.03 -0.03 0.53 -0.51 4.01 3.96 2d63A1 TRP 217 H -0.02 0.39 0.06 -0.55 7.97 7.85 2d63A1 TRP 217 HA 0.07 0.18 0.69 -0.75 4.62 4.80 2d63A1 TRP 217 HB2 0.15 -0.08 -0.05 -0.04 3.23 3.22 2d63A1 TRP 217 HB3 0.06 -0.05 -0.07 -0.04 3.23 3.13 2d63A1 TRP 217 HD1 -0.01 0.11 -0.43 -0.04 7.22 6.85 2d63A1 TRP 217 HE1 -0.14 0.34 -0.30 -0.04 10.20 10.06 2d63A1 TRP 217 HE3 0.20 -0.05 -0.07 -0.04 7.59 7.63 2d63A1 TRP 217 HZ2 -0.19 0.25 -0.10 -0.04 7.44 7.35 2d63A1 TRP 217 HZ3 0.10 -0.06 -0.10 -0.04 7.13 7.03 2d63A1 TRP 217 HH2 -0.11 -0.07 -0.14 -0.04 7.19 6.83 2d63A1 LEU 218 H 0.26 0.62 0.24 -0.55 8.37 8.95 2d63A1 LEU 218 HA 0.21 0.22 0.82 -0.75 4.35 4.84 2d63A1 LEU 218 HB2 0.15 0.02 -0.06 -0.04 1.64 1.71 2d63A1 LEU 218 HB3 0.13 -0.03 0.06 -0.04 1.64 1.76 2d63A1 LEU 218 HG 0.14 -0.01 -0.30 -0.04 1.64 1.43 2d63A1 LEU 218 HD13 0.16 0.02 -0.13 -0.04 0.93 0.94 2d63A1 LEU 218 HD23 0.13 -0.02 -0.10 -0.04 0.89 0.87 2d63A1 PRO 219 HA 0.14 0.18 0.60 -0.51 4.44 4.85 2d63A1 PRO 219 HB2 0.29 -0.07 0.02 -0.04 2.28 2.49 2d63A1 PRO 219 HB3 0.34 -0.02 0.03 -0.04 2.02 2.33 2d63A1 PRO 219 HG2 -0.41 0.04 0.05 -0.04 2.03 1.66 2d63A1 PRO 219 HG3 0.28 0.03 -0.04 -0.04 2.03 2.26 2d63A1 PRO 219 HD2 0.09 0.19 0.29 -0.04 3.68 4.21 2d63A1 PRO 219 HD3 0.17 0.41 0.20 -0.04 3.65 4.39 2d63A1 LEU 220 H -0.06 0.55 0.34 -0.55 8.37 8.66 2d63A1 LEU 220 HA 0.15 0.26 0.94 -0.75 4.35 4.95 2d63A1 LEU 220 HB2 0.05 0.10 -0.12 -0.04 1.64 1.63 2d63A1 LEU 220 HB3 -0.05 -0.04 0.04 -0.04 1.64 1.55 2d63A1 LEU 220 HG 0.09 -0.12 -0.18 -0.04 1.64 1.39 2d63A1 LEU 220 HD13 0.16 0.01 -0.15 -0.04 0.93 0.90 2d63A1 LEU 220 HD23 0.15 0.01 -0.13 -0.04 0.89 0.88 2d63A1 PHE 221 H 0.31 0.64 0.35 -0.55 8.34 9.09 2d63A1 PHE 221 HA 0.06 0.33 1.09 -0.75 4.62 5.34 2d63A1 PHE 221 HB2 -0.07 0.04 0.17 -0.04 3.15 3.25 2d63A1 PHE 221 HB3 -0.13 -0.11 -0.08 -0.04 3.06 2.69 2d63A1 PHE 221 HD2 -0.19 -0.02 -0.19 -0.04 7.28 6.84 2d63A1 PHE 221 HE2 -0.88 0.04 -0.16 -0.04 7.38 6.34 2d63A1 PHE 221 HZ -1.65 0.05 -0.15 -0.04 7.32 5.52 2d63A1 ASP 222 H 0.07 0.67 0.39 -0.55 8.40 8.98 2d63A1 ASP 222 HA 0.09 0.24 0.88 -0.75 4.63 5.09 2d63A1 ASP 222 HB2 0.04 0.08 0.05 -0.04 2.71 2.84 2d63A1 ASP 222 HB3 -0.15 -0.06 0.23 -0.04 2.70 2.68 2d63A1 PHE 223 H 0.16 0.87 0.22 -0.55 8.34 9.05 2d63A1 PHE 223 HA 0.05 -0.00 0.97 -0.75 4.62 4.88 2d63A1 PHE 223 HB2 0.02 0.07 -0.10 -0.04 3.15 3.09 2d63A1 PHE 223 HB3 -0.08 0.00 0.19 -0.04 3.06 3.13 2d63A1 PHE 223 HD2 -0.02 -0.02 0.05 -0.04 7.28 7.24 2d63A1 PHE 223 HE2 -0.01 0.10 -0.16 -0.04 7.38 7.26 2d63A1 PHE 223 HZ -0.02 0.03 -0.41 -0.04 7.32 6.88 2d63A1 ALA 224 H 0.02 0.24 0.07 -0.55 8.40 8.18 2d63A1 ALA 224 HA -0.28 0.16 1.06 -0.75 4.34 4.52 2d63A1 ALA 224 HB3 -0.43 0.02 0.04 -0.04 1.41 0.99 2d63A1 TYR 225 H -0.01 0.07 -0.03 -0.55 8.29 7.78 2d63A1 TYR 225 HA 0.07 0.25 0.89 -0.75 4.56 5.02 2d63A1 TYR 225 HB2 0.09 0.12 -0.05 -0.04 3.06 3.17 2d63A1 TYR 225 HB3 0.11 -0.06 0.09 -0.04 2.98 3.08 2d63A1 TYR 225 HD2 -0.34 0.04 -0.03 -0.04 7.15 6.78 2d63A1 TYR 225 HE2 -0.20 0.02 -0.03 -0.04 6.85 6.59 2d63A1 GLN 226 H -0.42 0.15 -0.18 -0.55 8.47 7.47 2d63A1 GLN 226 HA -0.18 -0.00 0.35 -0.75 4.36 3.77 2d63A1 GLN 226 HB2 -1.48 0.01 0.01 -0.04 2.15 0.65 2d63A1 GLN 226 HB3 -0.35 0.02 0.04 -0.04 2.02 1.69 2d63A1 GLN 226 HG2 -0.06 -0.06 -0.23 -0.04 2.40 2.01 2d63A1 GLN 226 HG3 -0.02 -0.00 -0.01 -0.04 2.39 2.31 2d63A1 GLN 226 HE21 0.09 0.45 -0.09 -0.04 6.97 7.37 2d63A1 GLN 226 HE22 0.09 0.31 0.02 -0.04 7.69 8.07 2d63A1 GLY 227 H 0.03 0.07 0.12 -0.55 8.43 8.10 2d63A1 GLY 227 HA2 -0.10 -0.16 -0.05 -0.51 4.01 3.19 2d63A1 GLY 227 HA3 -0.20 0.26 0.67 -0.51 4.01 4.23 2d63A1 PHE 228 H 0.24 0.53 -0.14 -0.55 8.34 8.41 2d63A1 PHE 228 HA -0.02 0.27 0.66 -0.75 4.62 4.78 2d63A1 PHE 228 HB2 0.10 0.06 0.03 -0.04 3.15 3.30 2d63A1 PHE 228 HB3 -0.00 -0.03 0.05 -0.04 3.06 3.04 2d63A1 PHE 228 HD2 0.06 0.02 -0.17 -0.04 7.28 7.15 2d63A1 PHE 228 HE2 0.00 -0.06 -0.28 -0.04 7.38 7.01 2d63A1 PHE 228 HZ -0.02 0.16 -0.18 -0.04 7.32 7.24 2d63A1 ALA 229 H 0.13 -0.12 -0.14 -0.55 8.40 7.73 2d63A1 ALA 229 HA 0.12 0.19 0.81 -0.75 4.34 4.71 2d63A1 ALA 229 HB3 0.16 -0.05 0.11 -0.04 1.41 1.58 2d63A1 ARG 230 H 0.07 -0.16 0.09 -0.55 8.46 7.91 2d63A1 ARG 230 HA 0.02 0.35 0.92 -0.75 4.34 4.87 2d63A1 ARG 230 HB2 0.06 -0.15 0.05 -0.04 1.90 1.82 2d63A1 ARG 230 HB3 0.03 0.04 -0.01 -0.04 1.80 1.81 2d63A1 ARG 230 HG2 0.05 0.09 -0.03 -0.04 1.67 1.74 2d63A1 ARG 230 HG3 0.07 0.02 -0.39 -0.04 1.67 1.32 2d63A1 ARG 230 HD2 0.08 0.06 -0.05 -0.04 3.22 3.28 2d63A1 ARG 230 HD3 0.10 -0.07 -0.08 -0.04 3.22 3.14 2d63A1 GLY 231 H 0.02 0.04 0.21 -0.55 8.43 8.15 2d63A1 GLY 231 HA2 -0.09 0.28 0.40 -0.51 4.01 4.08 2d63A1 GLY 231 HA3 -0.04 0.10 0.39 -0.51 4.01 3.95 2d63A1 LEU 233 H -0.09 0.27 0.15 -0.55 8.37 8.16 2d63A1 LEU 233 HA -0.01 0.02 0.33 -0.75 4.35 3.93 2d63A1 LEU 233 HB2 -0.02 -0.04 0.17 -0.04 1.64 1.70 2d63A1 LEU 233 HB3 0.04 0.13 -0.03 -0.04 1.64 1.74 2d63A1 LEU 233 HG -0.19 -0.01 0.08 -0.04 1.64 1.48 2d63A1 LEU 233 HD13 -0.01 0.03 0.01 -0.04 0.93 0.91 2d63A1 LEU 233 HD23 0.07 -0.00 -0.12 -0.04 0.89 0.79 2d63A1 GLU 234 H 0.00 0.10 -0.02 -0.55 8.60 8.14 2d63A1 GLU 234 HA 0.04 0.24 0.44 -0.75 4.29 4.25 2d63A1 GLU 234 HB2 0.01 -0.06 0.06 -0.04 2.09 2.06 2d63A1 GLU 234 HB3 0.02 0.08 -0.03 -0.04 1.99 2.01 2d63A1 GLU 234 HG2 0.01 -0.08 0.05 -0.04 2.34 2.28 2d63A1 GLU 234 HG3 0.01 0.05 0.01 -0.04 2.34 2.37 2d63A1 GLU 235 H 0.02 0.04 -0.22 -0.55 8.60 7.90 2d63A1 GLU 235 HA 0.04 0.12 0.38 -0.75 4.29 4.07 2d63A1 GLU 235 HB2 0.04 -0.12 0.02 -0.04 2.09 1.99 2d63A1 GLU 235 HB3 0.06 0.06 -0.00 -0.04 1.99 2.06 2d63A1 GLU 235 HG2 0.03 0.09 -0.03 -0.04 2.34 2.39 2d63A1 GLU 235 HG3 0.02 0.03 -0.01 -0.04 2.34 2.34 2d63A1 ASP 236 H 0.08 0.51 -0.17 -0.55 8.40 8.27 2d63A1 ASP 236 HA 0.17 0.05 0.43 -0.75 4.63 4.53 2d63A1 ASP 236 HB2 0.15 0.19 0.15 -0.04 2.71 3.17 2d63A1 ASP 236 HB3 0.29 -0.02 0.08 -0.04 2.70 3.01 2d63A1 ALA 237 H 0.09 0.37 -0.59 -0.55 8.40 7.72 2d63A1 ALA 237 HA -0.13 0.07 0.87 -0.75 4.34 4.40 2d63A1 ALA 237 HB3 0.08 0.07 0.14 -0.04 1.41 1.65 2d63A1 GLU 238 H -0.02 0.44 -0.11 -0.55 8.60 8.37 2d63A1 GLU 238 HA -0.06 0.10 0.39 -0.75 4.29 3.96 2d63A1 GLU 238 HB2 0.01 -0.02 0.07 -0.04 2.09 2.10 2d63A1 GLU 238 HB3 0.01 0.03 0.12 -0.04 1.99 2.11 2d63A1 GLU 238 HG2 0.04 0.51 0.23 -0.04 2.34 3.09 2d63A1 GLU 238 HG3 0.04 -0.06 -0.06 -0.04 2.34 2.22 2d63A1 GLY 239 H -0.36 0.19 -0.28 -0.55 8.43 7.44 2d63A1 GLY 239 HA2 -0.61 0.05 0.42 -0.51 4.01 3.36 2d63A1 GLY 239 HA3 -1.86 0.12 0.27 -0.51 4.01 2.03 2d63A1 LEU 240 H -0.71 0.15 -0.13 -0.55 8.37 7.13 2d63A1 LEU 240 HA -1.22 0.04 0.36 -0.75 4.35 2.77 2d63A1 LEU 240 HB2 -1.20 -0.07 0.08 -0.04 1.64 0.40 2d63A1 LEU 240 HB3 -0.64 0.16 0.15 -0.04 1.64 1.27 2d63A1 LEU 240 HG -0.26 0.06 -0.39 -0.04 1.64 1.01 2d63A1 LEU 240 HD13 -0.80 -0.02 -0.06 -0.04 0.93 0.01 2d63A1 LEU 240 HD23 -0.50 0.01 -0.08 -0.04 0.89 0.28 2d63A1 ARG 241 H -0.23 0.55 -0.17 -0.55 8.46 8.05 2d63A1 ARG 241 HA 0.01 0.02 0.41 -0.75 4.34 4.02 2d63A1 ARG 241 HB2 -0.05 -0.00 0.08 -0.04 1.90 1.89 2d63A1 ARG 241 HB3 0.00 -0.03 0.02 -0.04 1.80 1.76 2d63A1 ARG 241 HG2 0.07 -0.03 0.08 -0.04 1.67 1.75 2d63A1 ARG 241 HG3 -0.08 0.18 0.09 -0.04 1.67 1.83 2d63A1 ARG 241 HD2 -0.01 -0.11 -0.17 -0.04 3.22 2.89 2d63A1 ARG 241 HD3 0.02 -0.00 -0.08 -0.04 3.22 3.12 2d63A1 ALA 242 H -0.07 0.42 -0.36 -0.55 8.40 7.84 2d63A1 ALA 242 HA 0.02 0.02 0.41 -0.75 4.34 4.04 2d63A1 ALA 242 HB3 0.09 0.03 0.07 -0.04 1.41 1.56 2d63A1 PHE 243 H 0.21 0.35 -0.25 -0.55 8.34 8.09 2d63A1 PHE 243 HA 0.20 0.04 0.45 -0.75 4.62 4.57 2d63A1 PHE 243 HB2 -0.17 0.09 0.18 -0.04 3.15 3.21 2d63A1 PHE 243 HB3 0.05 0.00 -0.08 -0.04 3.06 3.00 2d63A1 PHE 243 HD2 0.03 0.08 -0.03 -0.04 7.28 7.32 2d63A1 PHE 243 HE2 0.40 0.00 -0.07 -0.04 7.38 7.67 2d63A1 PHE 243 HZ -0.03 -0.01 -0.24 -0.04 7.32 6.99 2d63A1 ALA 244 H 0.07 0.56 -0.04 -0.55 8.40 8.45 2d63A1 ALA 244 HA 0.07 0.06 0.31 -0.75 4.34 4.03 2d63A1 ALA 244 HB3 -0.04 -0.01 0.01 -0.04 1.41 1.32 2d63A1 ALA 245 H 0.04 0.26 -0.71 -0.55 8.40 7.44 2d63A1 ALA 245 HA -0.02 0.04 0.57 -0.75 4.34 4.18 2d63A1 ALA 245 HB3 -0.01 0.02 0.08 -0.04 1.41 1.46 2d63A1 MET 246 H 0.04 0.33 -0.21 -0.55 8.47 8.08 2d63A1 MET 246 HA -0.07 0.18 0.96 -0.75 4.52 4.84 2d63A1 MET 246 HB2 -0.13 0.06 0.05 -0.04 2.15 2.08 2d63A1 MET 246 HB3 -0.21 -0.04 0.04 -0.04 2.03 1.78 2d63A1 MET 246 HG2 -0.08 0.00 -0.07 -0.04 2.63 2.45 2d63A1 MET 246 HG3 -0.05 -0.00 -0.20 -0.04 2.56 2.26 2d63A1 MET 246 HE3 -0.06 0.04 -0.01 -0.04 2.10 2.04 2d63A1 HIS 247 H 0.15 0.31 0.04 -0.55 8.41 8.35 2d63A1 HIS 247 HA 0.02 0.14 0.91 -0.75 4.63 4.94 2d63A1 HIS 247 HB2 0.12 0.00 -0.05 -0.04 3.26 3.29 2d63A1 HIS 247 HB3 0.12 0.06 -0.04 -0.04 3.20 3.29 2d63A1 HIS 247 HD2 0.13 0.04 0.09 -0.04 6.97 7.18 2d63A1 HIS 247 HE1 -0.23 0.01 0.08 -0.04 7.75 7.56 2d63A1 LYS 248 H 0.10 0.13 0.17 -0.55 8.42 8.26 2d63A1 LYS 248 HA 0.03 0.17 0.50 -0.75 4.32 4.26 2d63A1 LYS 248 HB2 0.06 0.01 0.15 -0.04 1.87 2.05 2d63A1 LYS 248 HB3 0.05 -0.11 -0.04 -0.04 1.79 1.65 2d63A1 LYS 248 HG2 0.01 -0.04 0.04 -0.04 1.46 1.44 2d63A1 LYS 248 HG3 0.01 0.02 0.05 -0.04 1.46 1.49 2d63A1 LYS 248 HD2 -0.01 0.05 -0.21 -0.04 1.69 1.48 2d63A1 LYS 248 HD3 -0.01 0.03 0.04 -0.04 1.68 1.69 2d63A1 LYS 248 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.90 2d63A1 LYS 248 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.90 2d63A1 GLU 249 H 0.17 0.10 0.03 -0.55 8.60 8.36 2d63A1 GLU 249 HA 0.09 0.33 0.75 -0.75 4.29 4.71 2d63A1 GLU 249 HB2 0.14 -0.01 0.06 -0.04 2.09 2.24 2d63A1 GLU 249 HB3 0.13 0.08 0.09 -0.04 1.99 2.25 2d63A1 GLU 249 HG2 0.09 -0.02 -0.02 -0.04 2.34 2.34 2d63A1 GLU 249 HG3 0.09 -0.17 -0.37 -0.04 2.34 1.85 2d63A1 LEU 250 H 0.11 0.45 0.29 -0.55 8.37 8.67 2d63A1 LEU 250 HA 0.15 0.24 0.65 -0.75 4.35 4.64 2d63A1 LEU 250 HB2 0.12 -0.08 -0.19 -0.04 1.64 1.45 2d63A1 LEU 250 HB3 0.16 -0.04 0.00 -0.04 1.64 1.72 2d63A1 LEU 250 HG 0.13 0.14 -0.24 -0.04 1.64 1.62 2d63A1 LEU 250 HD13 0.09 -0.06 -0.59 -0.04 0.93 0.32 2d63A1 LEU 250 HD23 0.10 -0.03 -0.23 -0.04 0.89 0.68 2d63A1 ILE 251 H 0.18 0.47 0.27 -0.55 8.25 8.62 2d63A1 ILE 251 HA 0.13 0.33 1.02 -0.75 4.18 4.91 2d63A1 ILE 251 HB 0.16 -0.02 0.13 -0.04 1.89 2.12 2d63A1 ILE 251 HG12 0.16 0.03 0.01 -0.04 1.49 1.65 2d63A1 ILE 251 HG13 0.17 -0.04 -0.44 -0.04 1.21 0.86 2d63A1 ILE 251 HG23 0.15 -0.02 -0.13 -0.04 0.93 0.89 2d63A1 ILE 251 HD13 0.26 0.00 -0.09 -0.04 0.88 1.01 2d63A1 VAL 252 H 0.12 0.66 0.31 -0.55 8.24 8.77 2d63A1 VAL 252 HA 0.16 0.19 1.16 -0.75 4.13 4.89 2d63A1 VAL 252 HB 0.03 -0.06 0.08 -0.04 2.12 2.14 2d63A1 VAL 252 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 2d63A1 VAL 252 HG23 0.04 0.01 -0.23 -0.04 0.95 0.73 2d63A1 ALA 253 H 0.13 0.81 0.33 -0.55 8.40 9.12 2d63A1 ALA 253 HA 0.07 0.27 1.03 -0.75 4.34 4.97 2d63A1 ALA 253 HB3 0.10 -0.00 0.05 -0.04 1.41 1.52 2d63A1 SER 254 H 0.01 0.67 0.32 -0.55 8.46 8.91 2d63A1 SER 254 HA -0.04 0.21 1.06 -0.75 4.49 4.98 2d63A1 SER 254 HB2 -0.29 0.01 0.11 -0.04 3.95 3.74 2d63A1 SER 254 HB3 -0.01 -0.00 -0.03 -0.04 3.93 3.85 2d63A1 SER 255 H -0.29 0.52 0.38 -0.55 8.46 8.52 2d63A1 SER 255 HA -0.14 0.18 1.01 -0.75 4.49 4.78 2d63A1 SER 255 HB2 -0.13 -0.04 -0.01 -0.04 3.95 3.73 2d63A1 SER 255 HB3 -0.23 0.05 0.17 -0.04 3.93 3.88 2d63A1 TYR 256 H 0.03 0.71 0.34 -0.55 8.29 8.82 2d63A1 TYR 256 HA 0.07 0.19 0.85 -0.75 4.56 4.92 2d63A1 TYR 256 HB2 -0.08 0.08 -0.02 -0.04 3.06 3.00 2d63A1 TYR 256 HB3 -0.14 -0.02 0.07 -0.04 2.98 2.85 2d63A1 TYR 256 HD2 0.18 -0.01 -0.22 -0.04 7.15 7.06 2d63A1 TYR 256 HE2 -0.18 0.05 -0.20 -0.04 6.85 6.49 2d63A1 SER 257 H -0.04 0.08 0.02 -0.55 8.46 7.97 2d63A1 SER 257 HA -0.11 0.03 0.17 -0.75 4.49 3.82 2d63A1 SER 257 HB2 -0.05 0.00 0.12 -0.04 3.95 3.98 2d63A1 SER 257 HB3 0.04 0.07 0.03 -0.04 3.93 4.03 2d63A1 LYS 258 H -0.10 0.13 -0.14 -0.55 8.42 7.75 2d63A1 LYS 258 HA -0.19 0.21 0.91 -0.75 4.32 4.50 2d63A1 LYS 258 HB2 -0.21 0.13 0.15 -0.04 1.87 1.90 2d63A1 LYS 258 HB3 -0.11 0.07 -0.00 -0.04 1.79 1.70 2d63A1 LYS 258 HG2 0.09 0.12 0.02 -0.04 1.46 1.65 2d63A1 LYS 258 HG3 0.26 -0.02 -0.08 -0.04 1.46 1.58 2d63A1 LYS 258 HD2 -0.19 -0.21 0.03 -0.04 1.69 1.27 2d63A1 LYS 258 HD3 -0.81 0.14 0.04 -0.04 1.68 1.01 2d63A1 LYS 258 HE2 0.12 0.16 0.03 -0.04 2.99 3.26 2d63A1 LYS 258 HE3 0.08 -0.03 -0.00 -0.04 2.99 2.99 2d63A1 ASN 259 H 0.20 0.12 -0.03 -0.55 8.53 8.27 2d63A1 ASN 259 HA 0.27 0.18 0.45 -0.75 4.76 4.91 2d63A1 ASN 259 HB2 0.23 0.02 0.08 -0.04 2.88 3.17 2d63A1 ASN 259 HB3 0.19 0.10 0.02 -0.04 2.79 3.06 2d63A1 ASN 259 HD21 0.01 -0.01 0.01 -0.04 7.03 7.01 2d63A1 ASN 259 HD22 0.08 0.39 0.04 -0.04 7.74 8.20 2d63A1 PHE 260 H 0.26 0.10 -0.51 -0.55 8.34 7.64 2d63A1 PHE 260 HA 0.26 0.22 0.89 -0.75 4.62 5.23 2d63A1 PHE 260 HB2 -0.01 0.20 0.05 -0.04 3.15 3.35 2d63A1 PHE 260 HB3 -0.09 -0.04 0.02 -0.04 3.06 2.91 2d63A1 PHE 260 HD2 -0.08 -0.07 -0.10 -0.04 7.28 6.98 2d63A1 PHE 260 HE2 -0.67 -0.00 -0.08 -0.04 7.38 6.58 2d63A1 PHE 260 HZ -1.59 0.03 -0.07 -0.04 7.32 5.65 2d63A1 GLY 261 H -0.03 0.12 -0.31 -0.55 8.43 7.67 2d63A1 GLY 261 HA2 -0.43 0.08 0.44 -0.51 4.01 3.59 2d63A1 GLY 261 HA3 0.04 0.09 0.47 -0.51 4.01 4.09 2d63A1 LEU 262 H -0.16 0.17 -0.14 -0.55 8.37 7.69 2d63A1 LEU 262 HA 0.01 0.26 0.78 -0.75 4.35 4.64 2d63A1 LEU 262 HB2 -0.02 0.01 -0.08 -0.04 1.64 1.51 2d63A1 LEU 262 HB3 -0.03 -0.11 0.09 -0.04 1.64 1.56 2d63A1 LEU 262 HG 0.08 0.15 -0.30 -0.04 1.64 1.53 2d63A1 LEU 262 HD13 -0.20 -0.01 -0.05 -0.04 0.93 0.63 2d63A1 LEU 262 HD23 0.01 0.02 -0.06 -0.04 0.89 0.82 2d63A1 TYR 263 H -0.52 0.30 -0.27 -0.55 8.29 7.26 2d63A1 TYR 263 HA 0.04 -0.12 0.39 -0.75 4.56 4.12 2d63A1 TYR 263 HB2 0.05 0.00 0.09 -0.04 3.06 3.16 2d63A1 TYR 263 HB3 0.05 0.01 0.01 -0.04 2.98 3.00 2d63A1 TYR 263 HD2 0.06 -0.01 -0.04 -0.04 7.15 7.12 2d63A1 TYR 263 HE2 0.09 0.09 0.05 -0.04 6.85 7.03 2d63A1 ASN 264 H 0.19 0.18 -0.12 -0.55 8.53 8.24 2d63A1 ASN 264 HA 0.08 0.13 0.52 -0.75 4.76 4.74 2d63A1 ASN 264 HB2 0.05 0.06 0.14 -0.04 2.88 3.08 2d63A1 ASN 264 HB3 0.08 -0.00 0.06 -0.04 2.79 2.89 2d63A1 ASN 264 HD21 0.05 0.03 -0.03 -0.04 7.03 7.04 2d63A1 ASN 264 HD22 0.05 0.02 -0.01 -0.04 7.74 7.77 2d63A1 GLU 265 H 0.05 0.47 -0.34 -0.55 8.60 8.23 2d63A1 GLU 265 HA 0.02 0.19 0.72 -0.75 4.29 4.47 2d63A1 GLU 265 HB2 -0.00 0.05 0.02 -0.04 2.09 2.12 2d63A1 GLU 265 HB3 0.02 -0.16 0.09 -0.04 1.99 1.90 2d63A1 GLU 265 HG2 0.07 -0.04 -0.11 -0.04 2.34 2.22 2d63A1 GLU 265 HG3 0.09 -0.00 -0.04 -0.04 2.34 2.34 2d63A1 ARG 266 H 0.02 0.32 -0.16 -0.55 8.46 8.09 2d63A1 ARG 266 HA 0.00 -0.06 0.30 -0.75 4.34 3.83 2d63A1 ARG 266 HB2 -0.06 0.16 0.10 -0.04 1.90 2.06 2d63A1 ARG 266 HB3 -0.05 -0.09 -0.14 -0.04 1.80 1.48 2d63A1 ARG 266 HG2 -0.01 0.11 -0.46 -0.04 1.67 1.26 2d63A1 ARG 266 HG3 -0.03 0.05 -0.10 -0.04 1.67 1.54 2d63A1 ARG 266 HD2 0.03 0.15 0.07 -0.04 3.22 3.43 2d63A1 ARG 266 HD3 0.02 0.04 -0.04 -0.04 3.22 3.20 2d63A1 VAL 267 H 0.00 0.10 0.03 -0.55 8.24 7.82 2d63A1 VAL 267 HA -0.06 0.40 1.07 -0.75 4.13 4.78 2d63A1 VAL 267 HB 0.05 -0.15 -0.01 -0.04 2.12 1.97 2d63A1 VAL 267 HG13 -0.08 0.04 -0.20 -0.04 0.97 0.69 2d63A1 VAL 267 HG23 -0.10 0.05 -0.34 -0.04 0.95 0.51 2d63A1 GLY 268 H 0.07 0.69 0.33 -0.55 8.43 8.97 2d63A1 GLY 268 HA2 0.11 -0.00 0.59 -0.51 4.01 4.20 2d63A1 GLY 268 HA3 0.06 0.01 -0.00 -0.51 4.01 3.56 2d63A1 ALA 269 H 0.06 0.53 0.25 -0.55 8.40 8.70 2d63A1 ALA 269 HA 0.20 0.27 0.76 -0.75 4.34 4.82 2d63A1 ALA 269 HB3 0.16 0.00 -0.18 -0.04 1.41 1.35 2d63A1 CYS 270 H 0.14 0.69 0.27 -0.55 8.50 9.05 2d63A1 CYS 270 HA 0.09 0.24 1.06 -0.75 4.58 5.21 2d63A1 CYS 270 HB2 0.11 -0.07 0.03 -0.04 2.97 3.00 2d63A1 CYS 270 HB3 0.12 -0.01 0.15 -0.04 2.97 3.19 2d63A1 THR 271 H 0.08 0.72 0.33 -0.55 8.28 8.86 2d63A1 THR 271 HA 0.06 0.29 1.16 -0.75 4.39 5.14 2d63A1 THR 271 HB 0.07 -0.07 0.09 -0.04 4.32 4.36 2d63A1 THR 271 HG23 0.18 0.01 -0.28 -0.04 1.22 1.09 2d63A1 LEU 272 H 0.00 0.78 0.41 -0.55 8.37 9.01 2d63A1 LEU 272 HA 0.07 0.22 1.04 -0.75 4.35 4.93 2d63A1 LEU 272 HB2 0.03 -0.03 -0.03 -0.04 1.64 1.57 2d63A1 LEU 272 HB3 0.00 -0.06 0.13 -0.04 1.64 1.68 2d63A1 LEU 272 HG 0.06 0.04 -0.14 -0.04 1.64 1.56 2d63A1 LEU 272 HD13 0.06 0.03 0.02 -0.04 0.93 0.99 2d63A1 LEU 272 HD23 -0.07 -0.01 -0.15 -0.04 0.89 0.63 2d63A1 VAL 273 H 0.08 0.63 0.38 -0.55 8.24 8.77 2d63A1 VAL 273 HA -0.01 0.36 1.11 -0.75 4.13 4.84 2d63A1 VAL 273 HB 0.04 -0.16 0.05 -0.04 2.12 2.01 2d63A1 VAL 273 HG13 -0.09 0.07 -0.15 -0.04 0.97 0.76 2d63A1 VAL 273 HG23 -0.01 -0.04 -0.31 -0.04 0.95 0.55 2d63A1 ALA 274 H -0.00 0.56 0.32 -0.55 8.40 8.73 2d63A1 ALA 274 HA 0.06 0.15 0.86 -0.75 4.34 4.65 2d63A1 ALA 274 HB3 0.05 -0.04 0.00 -0.04 1.41 1.39 2d63A1 ALA 275 H 0.04 0.04 0.15 -0.55 8.40 8.07 2d63A1 ALA 275 HA 0.01 0.17 0.48 -0.75 4.34 4.25 2d63A1 ALA 275 HB3 0.02 -0.02 0.12 -0.04 1.41 1.49 2d63A1 ASP 276 H 0.01 0.01 -0.00 -0.55 8.40 7.88 2d63A1 ASP 276 HA -0.01 0.33 0.73 -0.75 4.63 4.93 2d63A1 ASP 276 HB2 0.00 -0.08 0.17 -0.04 2.71 2.76 2d63A1 ASP 276 HB3 0.00 0.18 -0.04 -0.04 2.70 2.80 2d63A1 SER 277 H -0.01 0.26 0.16 -0.55 8.46 8.33 2d63A1 SER 277 HA -0.01 0.22 0.51 -0.75 4.49 4.45 2d63A1 SER 277 HB2 -0.01 -0.05 0.11 -0.04 3.95 3.96 2d63A1 SER 277 HB3 -0.01 0.32 0.22 -0.04 3.93 4.42 2d63A1 GLU 278 H 0.01 0.08 -0.13 -0.55 8.60 8.02 2d63A1 GLU 278 HA 0.02 0.12 0.42 -0.75 4.29 4.10 2d63A1 GLU 278 HB2 0.01 0.02 0.10 -0.04 2.09 2.19 2d63A1 GLU 278 HB3 0.02 -0.04 0.05 -0.04 1.99 1.98 2d63A1 GLU 278 HG2 0.02 0.02 0.04 -0.04 2.34 2.38 2d63A1 GLU 278 HG3 0.02 0.03 -0.00 -0.04 2.34 2.34 2d63A1 THR 279 H 0.03 0.06 -0.20 -0.55 8.28 7.62 2d63A1 THR 279 HA 0.05 0.11 0.44 -0.75 4.39 4.24 2d63A1 THR 279 HB 0.04 -0.03 0.13 -0.04 4.32 4.41 2d63A1 THR 279 HG23 0.06 0.02 -0.03 -0.04 1.22 1.24 2d63A1 VAL 280 H 0.03 0.52 -0.08 -0.55 8.24 8.16 2d63A1 VAL 280 HA 0.07 0.03 0.33 -0.75 4.13 3.80 2d63A1 VAL 280 HB 0.01 0.04 0.02 -0.04 2.12 2.15 2d63A1 VAL 280 HG13 -0.02 0.00 -0.13 -0.04 0.97 0.77 2d63A1 VAL 280 HG23 -0.03 -0.01 -0.22 -0.04 0.95 0.64 2d63A1 ASP 281 H 0.04 0.55 -0.25 -0.55 8.40 8.19 2d63A1 ASP 281 HA 0.11 -0.00 0.37 -0.75 4.63 4.36 2d63A1 ASP 281 HB2 0.04 0.13 0.17 -0.04 2.71 3.02 2d63A1 ASP 281 HB3 0.07 -0.06 -0.01 -0.04 2.70 2.66 2d63A1 ARG 282 H 0.07 0.39 -0.26 -0.55 8.46 8.11 2d63A1 ARG 282 HA 0.07 0.02 0.43 -0.75 4.34 4.12 2d63A1 ARG 282 HB2 0.06 0.06 0.15 -0.04 1.90 2.13 2d63A1 ARG 282 HB3 0.07 0.09 0.19 -0.04 1.80 2.12 2d63A1 ARG 282 HG2 0.07 0.02 -0.12 -0.04 1.67 1.60 2d63A1 ARG 282 HG3 0.06 -0.03 0.05 -0.04 1.67 1.70 2d63A1 ARG 282 HD2 0.04 -0.00 -0.00 -0.04 3.22 3.21 2d63A1 ARG 282 HD3 0.04 -0.02 0.01 -0.04 3.22 3.21 2d63A1 ALA 283 H 0.12 0.61 -0.04 -0.55 8.40 8.55 2d63A1 ALA 283 HA 0.23 0.07 0.41 -0.75 4.34 4.29 2d63A1 ALA 283 HB3 0.24 0.01 0.06 -0.04 1.41 1.68 2d63A1 PHE 284 H 0.22 0.75 -0.18 -0.55 8.34 8.58 2d63A1 PHE 284 HA -0.12 -0.03 0.35 -0.75 4.62 4.05 2d63A1 PHE 284 HB2 -0.02 0.16 0.08 -0.04 3.15 3.34 2d63A1 PHE 284 HB3 -0.00 0.10 0.05 -0.04 3.06 3.17 2d63A1 PHE 284 HD2 -0.05 0.04 -0.07 -0.04 7.28 7.15 2d63A1 PHE 284 HE2 -0.01 0.00 -0.15 -0.04 7.38 7.19 2d63A1 PHE 284 HZ 0.02 0.08 -0.34 -0.04 7.32 7.04 2d63A1 SER 285 H 0.11 0.47 -0.45 -0.55 8.46 8.04 2d63A1 SER 285 HA -0.07 -0.03 0.43 -0.75 4.49 4.06 2d63A1 SER 285 HB2 0.01 -0.09 0.10 -0.04 3.95 3.93 2d63A1 SER 285 HB3 0.05 0.09 0.16 -0.04 3.93 4.20 2d63A1 GLN 286 H 0.09 0.47 -0.24 -0.55 8.47 8.24 2d63A1 GLN 286 HA 0.05 0.05 0.56 -0.75 4.36 4.26 2d63A1 GLN 286 HB2 0.37 0.19 0.15 -0.04 2.15 2.82 2d63A1 GLN 286 HB3 0.21 0.00 0.05 -0.04 2.02 2.24 2d63A1 GLN 286 HG2 0.10 0.02 0.04 -0.04 2.40 2.51 2d63A1 GLN 286 HG3 0.10 0.04 0.04 -0.04 2.39 2.53 2d63A1 GLN 286 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.93 2d63A1 GLN 286 HE22 0.04 -0.00 -0.01 -0.04 7.69 7.68 2d63A1 MET 287 H -0.11 0.30 -0.22 -0.55 8.47 7.90 2d63A1 MET 287 HA -0.01 0.09 0.49 -0.75 4.52 4.33 2d63A1 MET 287 HB2 -0.61 0.02 0.02 -0.04 2.15 1.55 2d63A1 MET 287 HB3 -0.48 0.11 0.10 -0.04 2.03 1.72 2d63A1 MET 287 HG2 -0.20 -0.03 -0.23 -0.04 2.63 2.13 2d63A1 MET 287 HG3 -0.14 0.01 -0.04 -0.04 2.56 2.34 2d63A1 MET 287 HE3 -0.41 0.01 -0.15 -0.04 2.10 1.51 2d63A1 LYS 288 H -0.35 0.56 -0.15 -0.55 8.42 7.92 2d63A1 LYS 288 HA -0.25 0.02 0.41 -0.75 4.32 3.74 2d63A1 LYS 288 HB2 -0.22 0.19 0.15 -0.04 1.87 1.95 2d63A1 LYS 288 HB3 -0.17 -0.06 0.03 -0.04 1.79 1.54 2d63A1 LYS 288 HG2 -0.33 -0.10 -0.04 -0.04 1.46 0.94 2d63A1 LYS 288 HG3 -0.96 0.06 -0.00 -0.04 1.46 0.52 2d63A1 LYS 288 HD2 -0.26 -0.05 -0.06 -0.04 1.69 1.27 2d63A1 LYS 288 HD3 -0.25 0.07 -0.08 -0.04 1.68 1.38 2d63A1 LYS 288 HE2 -0.09 0.06 0.02 -0.04 2.99 2.94 2d63A1 LYS 288 HE3 -0.06 -0.15 0.02 -0.04 2.99 2.76 2d63A1 ALA 289 H -0.08 0.33 -0.35 -0.55 8.40 7.76 2d63A1 ALA 289 HA -0.06 0.00 0.43 -0.75 4.34 3.96 2d63A1 ALA 289 HB3 -0.01 0.06 0.11 -0.04 1.41 1.52 2d63A1 ALA 290 H -0.02 0.39 -0.36 -0.55 8.40 7.87 2d63A1 ALA 290 HA -0.01 0.06 0.35 -0.75 4.34 3.98 2d63A1 ALA 290 HB3 0.06 0.04 0.05 -0.04 1.41 1.52 2d63A1 ILE 291 H -0.12 0.35 -0.33 -0.55 8.25 7.59 2d63A1 ILE 291 HA -0.31 -0.00 0.47 -0.75 4.18 3.59 2d63A1 ILE 291 HB -0.19 0.09 0.14 -0.04 1.89 1.89 2d63A1 ILE 291 HG12 -0.07 -0.09 -0.05 -0.04 1.49 1.24 2d63A1 ILE 291 HG13 -0.09 0.12 -0.02 -0.04 1.21 1.18 2d63A1 ILE 291 HG23 -0.51 0.03 -0.21 -0.04 0.93 0.20 2d63A1 ILE 291 HD13 -0.04 -0.01 -0.13 -0.04 0.88 0.66 2d63A1 ARG 292 H -0.15 0.61 -0.06 -0.55 8.46 8.32 2d63A1 ARG 292 HA -0.15 0.02 0.47 -0.75 4.34 3.92 2d63A1 ARG 292 HB2 -0.10 0.04 0.18 -0.04 1.90 1.97 2d63A1 ARG 292 HB3 -0.08 0.18 0.18 -0.04 1.80 2.04 2d63A1 ARG 292 HG2 -0.08 -0.00 -0.13 -0.04 1.67 1.42 2d63A1 ARG 292 HG3 -0.08 -0.06 0.06 -0.04 1.67 1.55 2d63A1 ARG 292 HD2 -0.05 0.04 -0.03 -0.04 3.22 3.14 2d63A1 ARG 292 HD3 -0.05 -0.05 -0.01 -0.04 3.22 3.06 2d63A1 VAL 293 H -0.09 0.38 -0.38 -0.55 8.24 7.59 2d63A1 VAL 293 HA -0.06 0.09 0.57 -0.75 4.13 3.98 2d63A1 VAL 293 HB -0.04 0.10 0.04 -0.04 2.12 2.18 2d63A1 VAL 293 HG13 -0.02 -0.02 0.12 -0.04 0.97 1.01 2d63A1 VAL 293 HG23 -0.04 0.00 -0.01 -0.04 0.95 0.86 2d63A1 ASN 294 H -0.18 0.38 -0.59 -0.55 8.53 7.59 2d63A1 ASN 294 HA -0.02 0.18 0.94 -0.75 4.76 5.11 2d63A1 ASN 294 HB2 -0.07 0.16 0.04 -0.04 2.88 2.97 2d63A1 ASN 294 HB3 -0.32 -0.11 0.25 -0.04 2.79 2.57 2d63A1 ASN 294 HD21 0.16 -0.09 -0.05 -0.04 7.03 7.01 2d63A1 ASN 294 HD22 0.10 0.03 -0.06 -0.04 7.74 7.76 2d63A1 TYR 295 H -0.66 0.24 0.16 -0.55 8.29 7.47 2d63A1 TYR 295 HA 0.00 0.23 0.91 -0.75 4.56 4.95 2d63A1 TYR 295 HB2 0.01 0.00 0.16 -0.04 3.06 3.19 2d63A1 TYR 295 HB3 0.00 -0.02 -0.05 -0.04 2.98 2.88 2d63A1 TYR 295 HD2 0.01 0.09 -0.27 -0.04 7.15 6.94 2d63A1 TYR 295 HE2 0.01 0.00 -0.21 -0.04 6.85 6.61 2d63A1 SER 296 H -0.28 0.30 0.01 -0.55 8.46 7.95 2d63A1 SER 296 HA -0.15 0.03 0.44 -0.75 4.49 4.06 2d63A1 SER 296 HB2 -0.05 0.02 -0.18 -0.04 3.95 3.70 2d63A1 SER 296 HB3 0.01 0.10 0.29 -0.04 3.93 4.29 2d63A1 SER 297 H 0.16 0.61 0.23 -0.55 8.46 8.91 2d63A1 SER 297 HA 0.10 0.21 0.63 -0.75 4.49 4.68 2d63A1 SER 297 HB2 0.10 0.03 -0.04 -0.04 3.95 4.00 2d63A1 SER 297 HB3 0.03 0.01 -0.20 -0.04 3.93 3.73 2d63A1 PRO 298 HA -0.04 0.15 0.54 -0.51 4.44 4.58 2d63A1 PRO 298 HB2 -0.08 -0.01 -0.18 -0.04 2.28 1.98 2d63A1 PRO 298 HB3 0.05 0.12 -0.11 -0.04 2.02 2.04 2d63A1 PRO 298 HG2 0.00 -0.14 -0.08 -0.04 2.03 1.77 2d63A1 PRO 298 HG3 0.05 0.05 -0.12 -0.04 2.03 1.97 2d63A1 PRO 298 HD2 0.09 0.12 0.12 -0.04 3.68 3.97 2d63A1 PRO 298 HD3 0.17 0.41 0.14 -0.04 3.65 4.34 2d63A1 PRO 299 HA -0.02 0.05 0.55 -0.51 4.44 4.51 2d63A1 PRO 299 HB2 -0.05 -0.09 0.06 -0.04 2.28 2.17 2d63A1 PRO 299 HB3 -0.05 0.08 0.14 -0.04 2.02 2.15 2d63A1 PRO 299 HG2 -0.11 0.01 0.20 -0.04 2.03 2.09 2d63A1 PRO 299 HG3 -0.10 0.07 0.15 -0.04 2.03 2.11 2d63A1 PRO 299 HD2 -0.17 0.06 0.13 -0.04 3.68 3.65 2d63A1 PRO 299 HD3 -0.16 0.20 0.19 -0.04 3.65 3.83 2d63A1 ALA 300 H -0.03 0.20 0.20 -0.55 8.40 8.22 2d63A1 ALA 300 HA -0.10 0.09 0.45 -0.75 4.34 4.02 2d63A1 ALA 300 HB3 -0.03 0.04 0.08 -0.04 1.41 1.45 2d63A1 HIS 301 H 0.06 0.16 0.01 -0.55 8.41 8.09 2d63A1 HIS 301 HA -0.07 0.08 0.29 -0.75 4.63 4.17 2d63A1 HIS 301 HB2 -0.05 0.06 0.12 -0.04 3.26 3.35 2d63A1 HIS 301 HB3 -0.06 -0.01 0.10 -0.04 3.20 3.18 2d63A1 HIS 301 HD2 -0.03 -0.02 -0.12 -0.04 6.97 6.75 2d63A1 HIS 301 HE1 -0.02 0.06 -0.01 -0.04 7.75 7.74 2d63A1 GLY 302 H -0.02 0.23 -0.13 -0.55 8.43 7.96 2d63A1 GLY 302 HA2 -0.17 0.03 0.35 -0.51 4.01 3.71 2d63A1 GLY 302 HA3 -0.12 0.13 0.19 -0.51 4.01 3.70 2d63A1 ALA 303 H -0.28 0.33 -0.16 -0.55 8.40 7.74 2d63A1 ALA 303 HA -0.51 -0.02 0.43 -0.75 4.34 3.49 2d63A1 ALA 303 HB3 -0.87 0.04 0.08 -0.04 1.41 0.62 2d63A1 SER 304 H -0.22 0.68 -0.18 -0.55 8.46 8.19 2d63A1 SER 304 HA -0.12 -0.04 0.43 -0.75 4.49 4.01 2d63A1 SER 304 HB2 -0.17 0.14 0.08 -0.04 3.95 3.96 2d63A1 SER 304 HB3 -0.08 -0.04 -0.03 -0.04 3.93 3.74 2d63A1 VAL 305 H -0.29 0.54 -0.17 -0.55 8.24 7.76 2d63A1 VAL 305 HA -0.17 0.02 0.38 -0.75 4.13 3.61 2d63A1 VAL 305 HB -0.28 0.19 0.18 -0.04 2.12 2.17 2d63A1 VAL 305 HG13 -0.13 -0.03 -0.11 -0.04 0.97 0.66 2d63A1 VAL 305 HG23 -0.38 0.04 -0.02 -0.04 0.95 0.56 2d63A1 VAL 306 H -0.37 0.44 -0.15 -0.55 8.24 7.61 2d63A1 VAL 306 HA -0.82 0.00 0.35 -0.75 4.13 2.91 2d63A1 VAL 306 HB -0.35 0.10 0.13 -0.04 2.12 1.95 2d63A1 VAL 306 HG13 -1.21 -0.01 -0.20 -0.04 0.97 -0.49 2d63A1 VAL 306 HG23 -1.16 0.02 -0.02 -0.04 0.95 -0.25 2d63A1 ALA 307 H -0.15 0.64 -0.11 -0.55 8.40 8.23 2d63A1 ALA 307 HA -0.14 0.01 0.31 -0.75 4.34 3.76 2d63A1 ALA 307 HB3 -0.01 -0.00 -0.00 -0.04 1.41 1.36 2d63A1 THR 308 H -0.13 0.58 -0.25 -0.55 8.28 7.93 2d63A1 THR 308 HA -0.11 0.02 0.36 -0.75 4.39 3.90 2d63A1 THR 308 HB -0.10 0.09 0.16 -0.04 4.32 4.42 2d63A1 THR 308 HG23 -0.23 -0.02 -0.09 -0.04 1.22 0.84 2d63A1 ILE 309 H -0.16 0.53 -0.16 -0.55 8.25 7.92 2d63A1 ILE 309 HA -0.07 -0.04 0.38 -0.75 4.18 3.70 2d63A1 ILE 309 HB -0.15 0.11 0.11 -0.04 1.89 1.92 2d63A1 ILE 309 HG12 -0.01 -0.06 -0.05 -0.04 1.49 1.33 2d63A1 ILE 309 HG13 -0.08 0.15 0.05 -0.04 1.21 1.29 2d63A1 ILE 309 HG23 -0.05 -0.02 -0.31 -0.04 0.93 0.52 2d63A1 ILE 309 HD13 0.05 -0.04 -0.23 -0.04 0.88 0.62 2d63A1 LEU 310 H -0.19 0.61 -0.07 -0.55 8.37 8.17 2d63A1 LEU 310 HA -0.05 0.01 0.38 -0.75 4.35 3.94 2d63A1 LEU 310 HB2 -0.18 0.07 0.04 -0.04 1.64 1.53 2d63A1 LEU 310 HB3 -0.10 -0.04 0.00 -0.04 1.64 1.47 2d63A1 LEU 310 HG -0.34 0.08 0.02 -0.04 1.64 1.36 2d63A1 LEU 310 HD13 -0.29 -0.02 -0.15 -0.04 0.93 0.44 2d63A1 LEU 310 HD23 -0.21 -0.02 -0.05 -0.04 0.89 0.58 2d63A1 SER 311 H -0.09 0.42 -0.44 -0.55 8.46 7.80 2d63A1 SER 311 HA -0.04 0.14 0.75 -0.75 4.49 4.58 2d63A1 SER 311 HB2 -0.04 -0.07 0.14 -0.04 3.95 3.93 2d63A1 SER 311 HB3 -0.06 -0.06 0.01 -0.04 3.93 3.79 2d63A1 ASN 312 H -0.05 0.41 -0.42 -0.55 8.53 7.92 2d63A1 ASN 312 HA -0.05 0.13 0.93 -0.75 4.76 5.01 2d63A1 ASN 312 HB2 -0.14 0.14 0.01 -0.04 2.88 2.85 2d63A1 ASN 312 HB3 -0.09 0.03 0.21 -0.04 2.79 2.91 2d63A1 ASN 312 HD21 -0.10 -0.01 0.03 -0.04 7.03 6.91 2d63A1 ASN 312 HD22 -0.17 0.11 0.03 -0.04 7.74 7.66 2d63A1 ASP 313 H -0.02 0.23 0.09 -0.55 8.40 8.16 2d63A1 ASP 313 HA 0.01 0.11 0.33 -0.75 4.63 4.33 2d63A1 ASP 313 HB2 -0.01 -0.04 0.14 -0.04 2.71 2.76 2d63A1 ASP 313 HB3 -0.00 0.03 -0.01 -0.04 2.70 2.68 2d63A1 ALA 314 H -0.02 0.10 -0.13 -0.55 8.40 7.81 2d63A1 ALA 314 HA 0.00 0.09 0.43 -0.75 4.34 4.11 2d63A1 ALA 314 HB3 -0.01 0.02 0.07 -0.04 1.41 1.44 2d63A1 LEU 315 H -0.02 0.13 -0.07 -0.55 8.37 7.86 2d63A1 LEU 315 HA 0.03 -0.01 0.43 -0.75 4.35 4.04 2d63A1 LEU 315 HB2 -0.04 0.13 0.17 -0.04 1.64 1.86 2d63A1 LEU 315 HB3 0.01 -0.03 0.03 -0.04 1.64 1.60 2d63A1 LEU 315 HG -0.00 -0.02 0.05 -0.04 1.64 1.62 2d63A1 LEU 315 HD13 -0.04 -0.01 -0.02 -0.04 0.93 0.82 2d63A1 LEU 315 HD23 -0.10 0.03 -0.11 -0.04 0.89 0.66 2d63A1 ARG 316 H 0.04 0.70 -0.16 -0.55 8.46 8.48 2d63A1 ARG 316 HA 0.25 -0.05 0.38 -0.75 4.34 4.16 2d63A1 ARG 316 HB2 0.07 0.26 0.08 -0.04 1.90 2.27 2d63A1 ARG 316 HB3 0.07 0.04 0.07 -0.04 1.80 1.94 2d63A1 ARG 316 HG2 0.15 -0.05 -0.20 -0.04 1.67 1.53 2d63A1 ARG 316 HG3 0.37 -0.12 0.03 -0.04 1.67 1.91 2d63A1 ARG 316 HD2 0.08 0.18 0.04 -0.04 3.22 3.48 2d63A1 ARG 316 HD3 0.07 -0.01 -0.05 -0.04 3.22 3.19 2d63A1 ALA 317 H 0.05 0.53 -0.16 -0.55 8.40 8.27 2d63A1 ALA 317 HA 0.00 0.01 0.46 -0.75 4.34 4.05 2d63A1 ALA 317 HB3 0.00 0.04 0.14 -0.04 1.41 1.55 2d63A1 ILE 318 H 0.04 0.43 -0.10 -0.55 8.25 8.07 2d63A1 ILE 318 HA -0.02 0.06 0.48 -0.75 4.18 3.95 2d63A1 ILE 318 HB 0.05 0.10 0.19 -0.04 1.89 2.19 2d63A1 ILE 318 HG12 0.00 -0.01 0.03 -0.04 1.49 1.48 2d63A1 ILE 318 HG13 0.01 0.16 0.08 -0.04 1.21 1.43 2d63A1 ILE 318 HG23 0.02 -0.03 -0.08 -0.04 0.93 0.80 2d63A1 ILE 318 HD13 0.01 -0.02 -0.04 -0.04 0.88 0.80 2d63A1 TRP 319 H 0.20 0.67 -0.03 -0.55 7.97 8.26 2d63A1 TRP 319 HA -0.14 -0.09 0.43 -0.75 4.62 4.07 2d63A1 TRP 319 HB2 -0.09 -0.07 0.09 -0.04 3.23 3.12 2d63A1 TRP 319 HB3 -0.11 0.16 0.16 -0.04 3.23 3.41 2d63A1 TRP 319 HD1 -0.41 -0.10 0.06 -0.04 7.22 6.73 2d63A1 TRP 319 HE1 -1.05 0.54 0.11 -0.04 10.20 9.77 2d63A1 TRP 319 HE3 -0.10 0.12 0.00 -0.04 7.59 7.57 2d63A1 TRP 319 HZ2 -0.41 -0.02 -0.08 -0.04 7.44 6.89 2d63A1 TRP 319 HZ3 -0.05 0.01 -0.03 -0.04 7.13 7.02 2d63A1 TRP 319 HH2 -0.05 -0.03 -0.06 -0.04 7.19 7.02 2d63A1 GLU 320 H -0.10 0.67 -0.10 -0.55 8.60 8.53 2d63A1 GLU 320 HA -1.20 -0.01 0.45 -0.75 4.29 2.77 2d63A1 GLU 320 HB2 -0.18 0.15 0.17 -0.04 2.09 2.19 2d63A1 GLU 320 HB3 -0.31 -0.07 0.05 -0.04 1.99 1.62 2d63A1 GLU 320 HG2 -0.55 -0.10 0.07 -0.04 2.34 1.73 2d63A1 GLU 320 HG3 0.04 0.24 0.11 -0.04 2.34 2.69 2d63A1 GLN 321 H -0.20 0.43 -0.30 -0.55 8.47 7.85 2d63A1 GLN 321 HA -0.19 0.04 0.54 -0.75 4.36 3.99 2d63A1 GLN 321 HB2 -0.10 0.07 0.16 -0.04 2.15 2.24 2d63A1 GLN 321 HB3 -0.10 0.12 0.21 -0.04 2.02 2.20 2d63A1 GLN 321 HG2 -0.07 0.00 0.02 -0.04 2.40 2.32 2d63A1 GLN 321 HG3 -0.09 -0.04 -0.13 -0.04 2.39 2.09 2d63A1 GLN 321 HE21 -0.08 0.02 0.03 -0.04 6.97 6.90 2d63A1 GLN 321 HE22 -0.09 -0.04 0.03 -0.04 7.69 7.55 2d63A1 GLU 322 H -0.22 0.52 -0.00 -0.55 8.60 8.35 2d63A1 GLU 322 HA -0.15 0.02 0.48 -0.75 4.29 3.88 2d63A1 GLU 322 HB2 -0.18 0.15 0.20 -0.04 2.09 2.22 2d63A1 GLU 322 HB3 -0.11 -0.04 0.08 -0.04 1.99 1.87 2d63A1 GLU 322 HG2 -0.05 0.00 0.09 -0.04 2.34 2.34 2d63A1 GLU 322 HG3 -0.06 0.37 0.13 -0.04 2.34 2.73 2d63A1 LEU 323 H -0.62 0.55 -0.14 -0.55 8.37 7.61 2d63A1 LEU 323 HA -0.50 0.02 0.42 -0.75 4.35 3.54 2d63A1 LEU 323 HB2 -1.14 0.08 0.15 -0.04 1.64 0.68 2d63A1 LEU 323 HB3 -0.78 0.12 0.17 -0.04 1.64 1.11 2d63A1 LEU 323 HG -0.66 -0.01 0.03 -0.04 1.64 0.96 2d63A1 LEU 323 HD13 -0.64 -0.02 0.03 -0.04 0.93 0.26 2d63A1 LEU 323 HD23 -0.56 -0.03 -0.20 -0.04 0.89 0.06 2d63A1 THR 324 H -0.37 0.47 -0.17 -0.55 8.28 7.66 2d63A1 THR 324 HA -0.24 0.02 0.46 -0.75 4.39 3.88 2d63A1 THR 324 HB -0.18 0.15 0.24 -0.04 4.32 4.49 2d63A1 THR 324 HG23 -0.11 -0.02 -0.01 -0.04 1.22 1.04 2d63A1 ASP 325 H -0.19 0.56 -0.12 -0.55 8.40 8.10 2d63A1 ASP 325 HA -0.07 0.01 0.45 -0.75 4.63 4.26 2d63A1 ASP 325 HB2 -0.12 0.09 0.22 -0.04 2.71 2.87 2d63A1 ASP 325 HB3 -0.04 -0.06 0.05 -0.04 2.70 2.61 2d63A1 MET 326 H -0.25 0.54 -0.16 -0.55 8.47 8.06 2d63A1 MET 326 HA -0.15 0.02 0.47 -0.75 4.52 4.10 2d63A1 MET 326 HB2 -0.39 0.12 0.18 -0.04 2.15 2.02 2d63A1 MET 326 HB3 -0.44 -0.06 0.00 -0.04 2.03 1.49 2d63A1 MET 326 HG2 -1.00 -0.05 0.01 -0.04 2.63 1.55 2d63A1 MET 326 HG3 -0.38 0.23 0.05 -0.04 2.56 2.41 2d63A1 MET 326 HE3 -0.19 -0.02 -0.07 -0.04 2.10 1.77 2d63A1 ARG 327 H -0.22 0.59 -0.05 -0.55 8.46 8.23 2d63A1 ARG 327 HA 0.08 -0.00 0.42 -0.75 4.34 4.08 2d63A1 ARG 327 HB2 -0.26 0.03 0.13 -0.04 1.90 1.75 2d63A1 ARG 327 HB3 -0.14 0.08 0.17 -0.04 1.80 1.87 2d63A1 ARG 327 HG2 -0.01 -0.02 -0.14 -0.04 1.67 1.45 2d63A1 ARG 327 HG3 0.03 0.05 0.05 -0.04 1.67 1.76 2d63A1 ARG 327 HD2 -0.01 0.11 -0.51 -0.04 3.22 2.77 2d63A1 ARG 327 HD3 -0.12 0.15 -0.18 -0.04 3.22 3.03 2d63A1 GLN 328 H -0.05 0.58 -0.13 -0.55 8.47 8.32 2d63A1 GLN 328 HA 0.00 0.03 0.49 -0.75 4.36 4.13 2d63A1 GLN 328 HB2 -0.03 0.08 0.17 -0.04 2.15 2.34 2d63A1 GLN 328 HB3 -0.01 -0.06 0.05 -0.04 2.02 1.96 2d63A1 GLN 328 HG2 -0.02 -0.04 0.06 -0.04 2.40 2.35 2d63A1 GLN 328 HG3 -0.05 0.11 0.10 -0.04 2.39 2.50 2d63A1 GLN 328 HE21 -0.05 -0.04 -0.00 -0.04 6.97 6.84 2d63A1 GLN 328 HE22 -0.05 -0.00 0.02 -0.04 7.69 7.62 2d63A1 ARG 329 H 0.06 0.53 -0.13 -0.55 8.46 8.36 2d63A1 ARG 329 HA 0.04 -0.01 0.48 -0.75 4.34 4.10 2d63A1 ARG 329 HB2 0.12 0.06 0.20 -0.04 1.90 2.23 2d63A1 ARG 329 HB3 0.23 0.11 0.14 -0.04 1.80 2.24 2d63A1 ARG 329 HG2 0.04 0.02 0.05 -0.04 1.67 1.73 2d63A1 ARG 329 HG3 0.05 -0.07 0.11 -0.04 1.67 1.72 2d63A1 ARG 329 HD2 0.03 -0.15 0.05 -0.04 3.22 3.11 2d63A1 ARG 329 HD3 0.16 -0.05 0.09 -0.04 3.22 3.38 2d63A1 ILE 330 H 0.12 0.45 -0.18 -0.55 8.25 8.09 2d63A1 ILE 330 HA 0.04 0.07 0.43 -0.75 4.18 3.97 2d63A1 ILE 330 HB 0.11 0.16 0.18 -0.04 1.89 2.30 2d63A1 ILE 330 HG12 0.11 -0.07 0.05 -0.04 1.49 1.53 2d63A1 ILE 330 HG13 0.31 0.19 0.12 -0.04 1.21 1.79 2d63A1 ILE 330 HG23 0.01 -0.00 -0.10 -0.04 0.93 0.79 2d63A1 ILE 330 HD13 0.26 -0.05 -0.08 -0.04 0.88 0.97 2d63A1 GLN 331 H 0.05 0.48 -0.06 -0.55 8.47 8.39 2d63A1 GLN 331 HA 0.04 0.07 0.43 -0.75 4.36 4.14 2d63A1 GLN 331 HB2 0.02 0.07 0.18 -0.04 2.15 2.39 2d63A1 GLN 331 HB3 0.03 -0.05 0.10 -0.04 2.02 2.05 2d63A1 GLN 331 HG2 0.04 0.00 0.11 -0.04 2.40 2.51 2d63A1 GLN 331 HG3 0.04 0.41 0.21 -0.04 2.39 3.02 2d63A1 GLN 331 HE21 0.02 -0.05 0.05 -0.04 6.97 6.94 2d63A1 GLN 331 HE22 0.04 0.04 0.08 -0.04 7.69 7.80 2d63A1 ARG 332 H 0.03 0.46 -0.27 -0.55 8.46 8.13 2d63A1 ARG 332 HA 0.02 -0.00 0.46 -0.75 4.34 4.06 2d63A1 ARG 332 HB2 0.02 0.14 0.24 -0.04 1.90 2.27 2d63A1 ARG 332 HB3 0.02 -0.05 -0.01 -0.04 1.80 1.72 2d63A1 ARG 332 HG2 0.01 -0.05 0.04 -0.04 1.67 1.63 2d63A1 ARG 332 HG3 0.01 -0.06 0.06 -0.04 1.67 1.64 2d63A1 ARG 332 HD2 0.01 -0.08 0.00 -0.04 3.22 3.11 2d63A1 ARG 332 HD3 0.02 0.54 0.11 -0.04 3.22 3.84 2d63A1 MET 333 H 0.02 0.61 -0.06 -0.55 8.47 8.49 2d63A1 MET 333 HA 0.02 -0.07 0.35 -0.75 4.52 4.07 2d63A1 MET 333 HB2 -0.02 0.13 0.14 -0.04 2.15 2.37 2d63A1 MET 333 HB3 -0.04 -0.06 -0.01 -0.04 2.03 1.88 2d63A1 MET 333 HG2 -0.00 0.19 0.13 -0.04 2.63 2.91 2d63A1 MET 333 HG3 -0.05 0.21 0.02 -0.04 2.56 2.70 2d63A1 MET 333 HE3 0.00 -0.02 -0.09 -0.04 2.10 1.95 2d63A1 ARG 334 H 0.03 0.62 -0.27 -0.55 8.46 8.28 2d63A1 ARG 334 HA 0.09 -0.02 0.38 -0.75 4.34 4.03 2d63A1 ARG 334 HB2 0.03 0.11 0.08 -0.04 1.90 2.08 2d63A1 ARG 334 HB3 0.04 0.12 0.16 -0.04 1.80 2.08 2d63A1 ARG 334 HG2 0.06 -0.13 -0.16 -0.04 1.67 1.40 2d63A1 ARG 334 HG3 0.08 -0.07 -0.02 -0.04 1.67 1.62 2d63A1 ARG 334 HD2 0.05 -0.06 0.08 -0.04 3.22 3.25 2d63A1 ARG 334 HD3 0.07 0.22 0.14 -0.04 3.22 3.60 2d63A1 GLN 335 H 0.04 0.50 -0.14 -0.55 8.47 8.33 2d63A1 GLN 335 HA 0.03 0.01 0.51 -0.75 4.36 4.16 2d63A1 GLN 335 HB2 0.02 0.11 0.17 -0.04 2.15 2.41 2d63A1 GLN 335 HB3 0.02 -0.09 0.07 -0.04 2.02 1.98 2d63A1 GLN 335 HG2 0.02 -0.05 0.06 -0.04 2.40 2.39 2d63A1 GLN 335 HG3 0.03 0.36 0.18 -0.04 2.39 2.92 2d63A1 GLN 335 HE21 0.02 -0.06 0.01 -0.04 6.97 6.90 2d63A1 GLN 335 HE22 0.02 0.05 0.03 -0.04 7.69 7.75 2d63A1 LEU 336 H 0.04 0.60 -0.05 -0.55 8.37 8.41 2d63A1 LEU 336 HA 0.02 -0.02 0.43 -0.75 4.35 4.03 2d63A1 LEU 336 HB2 0.02 0.02 0.07 -0.04 1.64 1.71 2d63A1 LEU 336 HB3 0.04 0.11 0.09 -0.04 1.64 1.84 2d63A1 LEU 336 HG 0.04 -0.01 -0.17 -0.04 1.64 1.45 2d63A1 LEU 336 HD13 0.01 -0.02 0.04 -0.04 0.93 0.92 2d63A1 LEU 336 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.80 2d63A1 PHE 337 H 0.16 0.62 -0.31 -0.55 8.34 8.25 2d63A1 PHE 337 HA -0.07 -0.00 0.40 -0.75 4.62 4.19 2d63A1 PHE 337 HB2 -0.06 0.08 0.08 -0.04 3.15 3.21 2d63A1 PHE 337 HB3 -0.07 0.18 0.16 -0.04 3.06 3.29 2d63A1 PHE 337 HD2 -0.10 0.02 -0.02 -0.04 7.28 7.14 2d63A1 PHE 337 HE2 -0.17 -0.01 -0.08 -0.04 7.38 7.07 2d63A1 PHE 337 HZ -0.23 -0.02 -0.08 -0.04 7.32 6.95 2d63A1 VAL 338 H 0.00 0.47 -0.11 -0.55 8.24 8.05 2d63A1 VAL 338 HA -0.37 0.01 0.37 -0.75 4.13 3.39 2d63A1 VAL 338 HB -0.05 0.11 0.14 -0.04 2.12 2.28 2d63A1 VAL 338 HG13 -0.06 -0.05 -0.17 -0.04 0.97 0.65 2d63A1 VAL 338 HG23 -0.07 0.08 0.05 -0.04 0.95 0.98 2d63A1 ASN 339 H -0.04 0.58 -0.13 -0.55 8.53 8.40 2d63A1 ASN 339 HA -0.04 0.00 0.43 -0.75 4.76 4.40 2d63A1 ASN 339 HB2 -0.01 0.08 0.15 -0.04 2.88 3.06 2d63A1 ASN 339 HB3 -0.02 -0.04 -0.01 -0.04 2.79 2.69 2d63A1 ASN 339 HD21 -0.00 -0.05 -0.03 -0.04 7.03 6.91 2d63A1 ASN 339 HD22 0.00 -0.02 -0.07 -0.04 7.74 7.61 2d63A1 THR 340 H -0.05 0.66 -0.14 -0.55 8.28 8.20 2d63A1 THR 340 HA -0.03 0.01 0.43 -0.75 4.39 4.04 2d63A1 THR 340 HB -0.02 0.10 0.08 -0.04 4.32 4.44 2d63A1 THR 340 HG23 -0.02 -0.02 -0.09 -0.04 1.22 1.05 2d63A1 LEU 341 H -0.21 0.50 -0.23 -0.55 8.37 7.88 2d63A1 LEU 341 HA -0.16 0.04 0.40 -0.75 4.35 3.88 2d63A1 LEU 341 HB2 -0.31 0.13 0.18 -0.04 1.64 1.59 2d63A1 LEU 341 HB3 -0.22 -0.07 0.00 -0.04 1.64 1.32 2d63A1 LEU 341 HG -0.81 0.24 0.07 -0.04 1.64 1.10 2d63A1 LEU 341 HD13 -1.49 -0.03 -0.06 -0.04 0.93 -0.69 2d63A1 LEU 341 HD23 -0.35 -0.02 0.00 -0.04 0.89 0.48 2d63A1 GLN 342 H -0.08 0.47 -0.16 -0.55 8.47 8.15 2d63A1 GLN 342 HA -0.00 0.02 0.45 -0.75 4.36 4.07 2d63A1 GLN 342 HB2 -0.03 0.15 0.17 -0.04 2.15 2.40 2d63A1 GLN 342 HB3 -0.01 -0.04 0.04 -0.04 2.02 1.97 2d63A1 GLN 342 HG2 0.00 -0.05 0.04 -0.04 2.40 2.35 2d63A1 GLN 342 HG3 -0.03 0.21 0.12 -0.04 2.39 2.65 2d63A1 GLN 342 HE21 -0.01 -0.02 -0.03 -0.04 6.97 6.87 2d63A1 GLN 342 HE22 -0.01 -0.14 -0.01 -0.04 7.69 7.49 2d63A1 GLU 343 H -0.04 0.48 -0.18 -0.55 8.60 8.32 2d63A1 GLU 343 HA -0.01 0.01 0.44 -0.75 4.29 3.97 2d63A1 GLU 343 HB2 -0.02 0.04 0.12 -0.04 2.09 2.19 2d63A1 GLU 343 HB3 -0.03 0.09 0.18 -0.04 1.99 2.20 2d63A1 GLU 343 HG2 -0.01 0.02 -0.12 -0.04 2.34 2.19 2d63A1 GLU 343 HG3 -0.01 -0.05 0.04 -0.04 2.34 2.28 2d63A1 LYS 344 H -0.04 0.58 -0.19 -0.55 8.42 8.22 2d63A1 LYS 344 HA -0.02 0.04 0.51 -0.75 4.32 4.10 2d63A1 LYS 344 HB2 -0.05 0.05 0.01 -0.04 1.87 1.84 2d63A1 LYS 344 HB3 -0.04 -0.04 0.04 -0.04 1.79 1.71 2d63A1 LYS 344 HG2 -0.04 0.15 0.03 -0.04 1.46 1.56 2d63A1 LYS 344 HG3 -0.04 -0.11 -0.13 -0.04 1.46 1.14 2d63A1 LYS 344 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.60 2d63A1 LYS 344 HD3 -0.02 0.03 -0.07 -0.04 1.68 1.58 2d63A1 LYS 344 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2d63A1 LYS 344 HE3 -0.02 0.03 0.01 -0.04 2.99 2.97 2d63A1 GLY 345 H -0.01 0.24 -0.71 -0.55 8.43 7.39 2d63A1 GLY 345 HA2 -0.00 0.03 0.25 -0.51 4.01 3.78 2d63A1 GLY 345 HA3 -0.00 0.06 0.59 -0.51 4.01 4.15 2d63A1 ALA 346 H 0.00 0.33 0.14 -0.55 8.40 8.33 2d63A1 ALA 346 HA 0.05 -0.03 0.35 -0.75 4.34 3.96 2d63A1 ALA 346 HB3 0.14 -0.03 -0.09 -0.04 1.41 1.39 2d63A1 ASN 347 H 0.09 0.05 0.18 -0.55 8.53 8.31 2d63A1 ASN 347 HA 0.02 0.11 0.46 -0.75 4.76 4.59 2d63A1 ASN 347 HB2 0.04 0.04 0.18 -0.04 2.88 3.10 2d63A1 ASN 347 HB3 0.04 -0.11 0.18 -0.04 2.79 2.87 2d63A1 ASN 347 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.96 2d63A1 ASN 347 HD22 0.03 0.04 0.03 -0.04 7.74 7.79 2d63A1 ARG 348 H -0.05 0.05 -0.01 -0.55 8.46 7.89 2d63A1 ARG 348 HA -0.08 0.23 0.88 -0.75 4.34 4.62 2d63A1 ARG 348 HB2 -0.10 0.03 -0.03 -0.04 1.90 1.76 2d63A1 ARG 348 HB3 -0.28 -0.00 0.01 -0.04 1.80 1.49 2d63A1 ARG 348 HG2 -0.11 0.02 0.04 -0.04 1.67 1.58 2d63A1 ARG 348 HG3 -0.26 0.25 -0.01 -0.04 1.67 1.61 2d63A1 ARG 348 HD2 -0.04 0.06 0.13 -0.04 3.22 3.33 2d63A1 ARG 348 HD3 -0.08 -0.15 0.25 -0.04 3.22 3.20 2d63A1 ASP 349 H -0.12 0.13 0.13 -0.55 8.40 8.00 2d63A1 ASP 349 HA -0.07 0.09 0.57 -0.75 4.63 4.46 2d63A1 ASP 349 HB2 -0.03 0.08 0.11 -0.04 2.71 2.84 2d63A1 ASP 349 HB3 -0.02 0.04 0.18 -0.04 2.70 2.85 2d63A1 PHE 350 H 0.01 0.19 0.18 -0.55 8.34 8.17 2d63A1 PHE 350 HA -0.43 0.25 0.86 -0.75 4.62 4.55 2d63A1 PHE 350 HB2 -0.28 0.04 0.09 -0.04 3.15 2.96 2d63A1 PHE 350 HB3 -0.42 -0.03 0.17 -0.04 3.06 2.74 2d63A1 PHE 350 HD2 -0.22 0.02 -0.01 -0.04 7.28 7.02 2d63A1 PHE 350 HE2 0.00 0.03 -0.05 -0.04 7.38 7.33 2d63A1 PHE 350 HZ 0.00 -0.01 -0.09 -0.04 7.32 7.18 2d63A1 SER 351 H -0.04 0.12 -0.06 -0.55 8.46 7.94 2d63A1 SER 351 HA -0.06 0.11 0.43 -0.75 4.49 4.23 2d63A1 SER 351 HB2 0.01 0.04 0.08 -0.04 3.95 4.05 2d63A1 SER 351 HB3 -0.00 0.02 0.11 -0.04 3.93 4.02 2d63A1 PHE 352 H -0.03 0.13 -0.41 -0.55 8.34 7.47 2d63A1 PHE 352 HA 0.04 0.07 0.38 -0.75 4.62 4.35 2d63A1 PHE 352 HB2 0.05 0.11 0.09 -0.04 3.15 3.36 2d63A1 PHE 352 HB3 -0.03 -0.01 0.04 -0.04 3.06 3.01 2d63A1 PHE 352 HD2 -0.11 -0.02 -0.20 -0.04 7.28 6.90 2d63A1 PHE 352 HE2 -0.15 0.14 0.01 -0.04 7.38 7.33 2d63A1 PHE 352 HZ 0.02 0.29 0.05 -0.04 7.32 7.63 2d63A1 ILE 353 H -0.51 0.41 -0.41 -0.55 8.25 7.20 2d63A1 ILE 353 HA 0.11 0.10 0.47 -0.75 4.18 4.10 2d63A1 ILE 353 HB 0.05 -0.04 0.09 -0.04 1.89 1.96 2d63A1 ILE 353 HG12 -0.08 -0.02 0.03 -0.04 1.49 1.37 2d63A1 ILE 353 HG13 -0.10 -0.02 0.01 -0.04 1.21 1.06 2d63A1 ILE 353 HG23 -0.50 0.03 -0.00 -0.04 0.93 0.41 2d63A1 ILE 353 HD13 0.12 0.03 -0.23 -0.04 0.88 0.76 2d63A1 ILE 354 H -0.01 0.42 -0.25 -0.55 8.25 7.86 2d63A1 ILE 354 HA 0.04 0.09 0.44 -0.75 4.18 4.00 2d63A1 ILE 354 HB 0.03 0.10 0.10 -0.04 1.89 2.08 2d63A1 ILE 354 HG12 -0.01 -0.01 0.12 -0.04 1.49 1.54 2d63A1 ILE 354 HG13 0.01 -0.06 0.08 -0.04 1.21 1.19 2d63A1 ILE 354 HG23 0.03 -0.02 0.02 -0.04 0.93 0.93 2d63A1 ILE 354 HD13 0.02 0.00 -0.07 -0.04 0.88 0.79 2d63A1 LYS 355 H 0.11 0.26 -0.45 -0.55 8.42 7.79 2d63A1 LYS 355 HA 0.09 0.05 0.55 -0.75 4.32 4.26 2d63A1 LYS 355 HB2 0.17 0.30 0.14 -0.04 1.87 2.45 2d63A1 LYS 355 HB3 0.12 -0.10 0.13 -0.04 1.79 1.90 2d63A1 LYS 355 HG2 0.09 -0.03 -0.03 -0.04 1.46 1.44 2d63A1 LYS 355 HG3 0.11 -0.01 0.05 -0.04 1.46 1.56 2d63A1 LYS 355 HD2 0.07 -0.05 0.07 -0.04 1.69 1.74 2d63A1 LYS 355 HD3 0.07 0.03 0.03 -0.04 1.68 1.77 2d63A1 LYS 355 HE2 0.06 -0.01 0.01 -0.04 2.99 3.01 2d63A1 LYS 355 HE3 0.04 -0.05 0.02 -0.04 2.99 2.96 2d63A1 GLN 356 H 0.12 0.34 -0.43 -0.55 8.47 7.96 2d63A1 GLN 356 HA 0.14 0.10 0.76 -0.75 4.36 4.61 2d63A1 GLN 356 HB2 0.15 0.13 0.15 -0.04 2.15 2.54 2d63A1 GLN 356 HB3 0.16 -0.02 0.10 -0.04 2.02 2.22 2d63A1 GLN 356 HG2 0.25 -0.04 -0.08 -0.04 2.40 2.48 2d63A1 GLN 356 HG3 0.25 0.02 0.02 -0.04 2.39 2.64 2d63A1 GLN 356 HE21 0.53 0.04 0.02 -0.04 6.97 7.53 2d63A1 GLN 356 HE22 0.53 0.01 -0.04 -0.04 7.69 8.15 2d63A1 ASN 357 H 0.12 0.57 0.40 -0.55 8.53 9.08 2d63A1 ASN 357 HA 0.08 0.27 0.86 -0.75 4.76 5.21 2d63A1 ASN 357 HB2 0.13 -0.20 0.11 -0.04 2.88 2.87 2d63A1 ASN 357 HB3 0.11 -0.08 0.16 -0.04 2.79 2.93 2d63A1 ASN 357 HD21 0.12 0.03 0.06 -0.04 7.03 7.20 2d63A1 ASN 357 HD22 0.15 -0.21 0.09 -0.04 7.74 7.73 2d63A1 GLY 358 H 0.06 0.29 0.21 -0.55 8.43 8.44 2d63A1 GLY 358 HA2 -0.09 -0.02 0.29 -0.51 4.01 3.68 2d63A1 GLY 358 HA3 -0.18 0.06 0.77 -0.51 4.01 4.15 2d63A1 MET 359 H -0.62 0.05 0.13 -0.55 8.47 7.48 2d63A1 MET 359 HA -0.23 0.20 0.58 -0.75 4.52 4.32 2d63A1 MET 359 HB2 -1.23 -0.02 -0.01 -0.04 2.15 0.86 2d63A1 MET 359 HB3 -0.51 -0.06 0.02 -0.04 2.03 1.44 2d63A1 MET 359 HG2 -0.27 0.08 -0.07 -0.04 2.63 2.33 2d63A1 MET 359 HG3 -0.64 -0.07 -0.01 -0.04 2.56 1.80 2d63A1 MET 359 HE3 -0.15 -0.02 -0.09 -0.04 2.10 1.81 2d63A1 PHE 360 H -0.22 0.04 -0.16 -0.55 8.34 7.45 2d63A1 PHE 360 HA -0.02 0.22 1.08 -0.75 4.62 5.14 2d63A1 PHE 360 HB2 -0.01 0.07 -0.11 -0.04 3.15 3.06 2d63A1 PHE 360 HB3 0.05 0.00 0.00 -0.04 3.06 3.07 2d63A1 PHE 360 HD2 -0.06 0.12 -0.21 -0.04 7.28 7.09 2d63A1 PHE 360 HE2 0.00 0.09 -0.11 -0.04 7.38 7.31 2d63A1 PHE 360 HZ 0.11 -0.10 0.00 -0.04 7.32 7.30 2d63A1 SER 361 H 0.25 0.39 0.28 -0.55 8.46 8.84 2d63A1 SER 361 HA 0.20 0.21 0.71 -0.75 4.49 4.85 2d63A1 SER 361 HB2 0.07 0.10 -0.06 -0.04 3.95 4.02 2d63A1 SER 361 HB3 0.05 -0.04 0.15 -0.04 3.93 4.05 2d63A1 PHE 362 H 0.36 0.31 0.01 -0.55 8.34 8.47 2d63A1 PHE 362 HA 0.09 0.05 0.60 -0.75 4.62 4.60 2d63A1 PHE 362 HB2 0.01 0.15 0.07 -0.04 3.15 3.35 2d63A1 PHE 362 HB3 0.06 0.03 0.18 -0.04 3.06 3.29 2d63A1 PHE 362 HD2 -0.25 0.00 -0.13 -0.04 7.28 6.86 2d63A1 PHE 362 HE2 -0.02 -0.07 -0.11 -0.04 7.38 7.14 2d63A1 PHE 362 HZ 0.01 -0.03 -0.03 -0.04 7.32 7.23 2d63A1 SER 363 H 0.11 0.51 0.05 -0.55 8.46 8.59 2d63A1 SER 363 HA 0.34 0.07 0.31 -0.75 4.49 4.45 2d63A1 SER 363 HB2 0.17 -0.01 0.00 -0.04 3.95 4.08 2d63A1 SER 363 HB3 0.14 0.03 0.06 -0.04 3.93 4.13 2d63A1 GLY 364 H -0.15 0.14 -0.07 -0.55 8.43 7.80 2d63A1 GLY 364 HA2 -0.04 -0.01 0.26 -0.51 4.01 3.71 2d63A1 GLY 364 HA3 0.16 0.22 0.79 -0.51 4.01 4.67 2d63A1 LEU 365 H 0.04 -0.01 -0.13 -0.55 8.37 7.73 2d63A1 LEU 365 HA 0.07 0.07 0.42 -0.75 4.35 4.16 2d63A1 LEU 365 HB2 0.03 -0.05 0.06 -0.04 1.64 1.64 2d63A1 LEU 365 HB3 0.03 0.04 -0.13 -0.04 1.64 1.54 2d63A1 LEU 365 HG 0.06 0.02 -0.07 -0.04 1.64 1.61 2d63A1 LEU 365 HD13 0.14 0.01 -0.15 -0.04 0.93 0.89 2d63A1 LEU 365 HD23 0.03 0.01 -0.12 -0.04 0.89 0.77 2d63A1 THR 366 H 0.03 0.10 0.17 -0.55 8.28 8.03 2d63A1 THR 366 HA 0.00 0.21 0.49 -0.75 4.39 4.34 2d63A1 THR 366 HB 0.01 -0.06 0.19 -0.04 4.32 4.42 2d63A1 THR 366 HG23 0.02 0.06 0.09 -0.04 1.22 1.35 2d63A1 LYS 367 H 0.01 0.17 0.18 -0.55 8.42 8.22 2d63A1 LYS 367 HA 0.00 0.24 0.47 -0.75 4.32 4.29 2d63A1 LYS 367 HB2 0.01 0.06 0.16 -0.04 1.87 2.06 2d63A1 LYS 367 HB3 0.01 -0.04 0.14 -0.04 1.79 1.86 2d63A1 LYS 367 HG2 0.00 -0.01 -0.13 -0.04 1.46 1.28 2d63A1 LYS 367 HG3 0.00 -0.01 0.10 -0.04 1.46 1.51 2d63A1 LYS 367 HD2 0.00 0.00 0.00 -0.04 1.69 1.66 2d63A1 LYS 367 HD3 0.01 0.01 0.02 -0.04 1.68 1.67 2d63A1 LYS 367 HE2 0.00 -0.02 0.01 -0.04 2.99 2.95 2d63A1 LYS 367 HE3 0.00 0.00 -0.03 -0.04 2.99 2.92 2d63A1 GLU 368 H 0.01 0.09 -0.10 -0.55 8.60 8.06 2d63A1 GLU 368 HA 0.00 0.10 0.44 -0.75 4.29 4.08 2d63A1 GLU 368 HB2 0.01 -0.01 0.06 -0.04 2.09 2.12 2d63A1 GLU 368 HB3 0.01 0.09 -0.00 -0.04 1.99 2.04 2d63A1 GLU 368 HG2 0.01 0.08 0.03 -0.04 2.34 2.41 2d63A1 GLU 368 HG3 0.00 0.03 0.03 -0.04 2.34 2.36 2d63A1 GLN 369 H 0.02 0.04 -0.27 -0.55 8.47 7.71 2d63A1 GLN 369 HA 0.04 0.13 0.45 -0.75 4.36 4.23 2d63A1 GLN 369 HB2 0.03 -0.00 0.07 -0.04 2.15 2.21 2d63A1 GLN 369 HB3 0.04 0.07 -0.02 -0.04 2.02 2.06 2d63A1 GLN 369 HG2 0.04 0.26 0.08 -0.04 2.40 2.74 2d63A1 GLN 369 HG3 0.03 -0.16 0.07 -0.04 2.39 2.29 2d63A1 GLN 369 HE21 0.06 -0.04 0.03 -0.04 6.97 6.98 2d63A1 GLN 369 HE22 0.05 0.60 0.17 -0.04 7.69 8.47 2d63A1 VAL 370 H 0.01 0.45 -0.30 -0.55 8.24 7.85 2d63A1 VAL 370 HA 0.01 0.05 0.32 -0.75 4.13 3.76 2d63A1 VAL 370 HB -0.00 0.12 0.09 -0.04 2.12 2.28 2d63A1 VAL 370 HG13 -0.01 -0.05 -0.37 -0.04 0.97 0.50 2d63A1 VAL 370 HG23 0.01 0.05 -0.17 -0.04 0.95 0.79 2d63A1 LEU 371 H -0.00 0.47 -0.14 -0.55 8.37 8.15 2d63A1 LEU 371 HA -0.05 0.01 0.43 -0.75 4.35 3.99 2d63A1 LEU 371 HB2 -0.01 0.05 0.15 -0.04 1.64 1.79 2d63A1 LEU 371 HB3 -0.01 0.11 0.20 -0.04 1.64 1.90 2d63A1 LEU 371 HG -0.01 -0.03 0.01 -0.04 1.64 1.56 2d63A1 LEU 371 HD13 -0.02 -0.01 -0.17 -0.04 0.93 0.68 2d63A1 LEU 371 HD23 -0.03 -0.01 0.04 -0.04 0.89 0.85 2d63A1 ARG 372 H 0.01 0.64 -0.13 -0.55 8.46 8.42 2d63A1 ARG 372 HA -0.01 -0.02 0.42 -0.75 4.34 3.98 2d63A1 ARG 372 HB2 0.03 0.01 0.11 -0.04 1.90 2.00 2d63A1 ARG 372 HB3 0.07 0.11 0.13 -0.04 1.80 2.06 2d63A1 ARG 372 HG2 0.12 0.00 -0.18 -0.04 1.67 1.57 2d63A1 ARG 372 HG3 0.00 -0.06 0.05 -0.04 1.67 1.62 2d63A1 ARG 372 HD2 0.04 -0.04 -0.00 -0.04 3.22 3.17 2d63A1 ARG 372 HD3 0.10 0.04 -0.01 -0.04 3.22 3.31 2d63A1 LEU 373 H 0.05 0.54 -0.20 -0.55 8.37 8.22 2d63A1 LEU 373 HA 0.33 0.02 0.36 -0.75 4.35 4.31 2d63A1 LEU 373 HB2 0.01 0.11 0.14 -0.04 1.64 1.87 2d63A1 LEU 373 HB3 0.04 -0.03 -0.03 -0.04 1.64 1.58 2d63A1 LEU 373 HG 0.05 0.23 0.01 -0.04 1.64 1.89 2d63A1 LEU 373 HD13 0.01 -0.04 -0.14 -0.04 0.93 0.72 2d63A1 LEU 373 HD23 -0.01 -0.01 -0.19 -0.04 0.89 0.64 2d63A1 ARG 374 H -0.08 0.39 -0.26 -0.55 8.46 7.96 2d63A1 ARG 374 HA -0.35 0.03 0.38 -0.75 4.34 3.65 2d63A1 ARG 374 HB2 -0.42 -0.01 0.12 -0.04 1.90 1.55 2d63A1 ARG 374 HB3 -0.20 0.11 0.22 -0.04 1.80 1.88 2d63A1 ARG 374 HG2 -0.26 0.01 -0.22 -0.04 1.67 1.17 2d63A1 ARG 374 HG3 -0.96 -0.03 -0.13 -0.04 1.67 0.52 2d63A1 ARG 374 HD2 -0.17 -0.03 -0.07 -0.04 3.22 2.90 2d63A1 ARG 374 HD3 -0.56 -0.04 -0.02 -0.04 3.22 2.56 2d63A1 GLU 375 H -0.09 0.62 0.06 -0.55 8.60 8.65 2d63A1 GLU 375 HA -0.07 0.01 0.37 -0.75 4.29 3.85 2d63A1 GLU 375 HB2 -0.06 0.13 0.15 -0.04 2.09 2.27 2d63A1 GLU 375 HB3 -0.07 0.00 0.08 -0.04 1.99 1.97 2d63A1 GLU 375 HG2 -0.04 -0.05 -0.01 -0.04 2.34 2.20 2d63A1 GLU 375 HG3 -0.05 0.01 -0.02 -0.04 2.34 2.23 2d63A1 GLU 376 H -0.12 0.67 -0.01 -0.55 8.60 8.60 2d63A1 GLU 376 HA -0.24 0.15 0.78 -0.75 4.29 4.22 2d63A1 GLU 376 HB2 -0.25 -0.09 0.06 -0.04 2.09 1.77 2d63A1 GLU 376 HB3 -0.62 0.09 0.02 -0.04 1.99 1.44 2d63A1 GLU 376 HG2 -0.92 0.02 0.01 -0.04 2.34 1.40 2d63A1 GLU 376 HG3 -0.34 -0.04 0.06 -0.04 2.34 1.98 2d63A1 PHE 377 H -0.00 0.31 -0.11 -0.55 8.34 7.98 2d63A1 PHE 377 HA 0.00 0.21 1.01 -0.75 4.62 5.09 2d63A1 PHE 377 HB2 -0.01 0.10 0.14 -0.04 3.15 3.34 2d63A1 PHE 377 HB3 0.00 -0.03 0.11 -0.04 3.06 3.10 2d63A1 PHE 377 HD2 -0.01 -0.00 -0.03 -0.04 7.28 7.21 2d63A1 PHE 377 HE2 -0.00 -0.02 -0.10 -0.04 7.38 7.22 2d63A1 PHE 377 HZ 0.00 -0.00 -0.06 -0.04 7.32 7.22 2d63A1 GLY 378 H 0.02 0.33 -0.02 -0.55 8.43 8.22 2d63A1 GLY 378 HA2 0.13 0.08 0.31 -0.51 4.01 4.02 2d63A1 GLY 378 HA3 0.14 0.03 0.38 -0.51 4.01 4.05 2d63A1 VAL 379 H 0.07 0.46 -0.22 -0.55 8.24 8.01 2d63A1 VAL 379 HA 0.14 0.15 0.84 -0.75 4.13 4.51 2d63A1 VAL 379 HB 0.06 -0.05 -0.03 -0.04 2.12 2.06 2d63A1 VAL 379 HG13 0.03 -0.02 -0.21 -0.04 0.97 0.72 2d63A1 VAL 379 HG23 0.06 0.04 -0.12 -0.04 0.95 0.89 2d63A1 TYR 380 H 0.29 0.77 0.29 -0.55 8.29 9.09 2d63A1 TYR 380 HA 0.02 0.17 0.92 -0.75 4.56 4.92 2d63A1 TYR 380 HB2 0.01 -0.03 0.20 -0.04 3.06 3.19 2d63A1 TYR 380 HB3 0.01 -0.08 -0.04 -0.04 2.98 2.82 2d63A1 TYR 380 HD2 0.01 0.04 -0.20 -0.04 7.15 6.96 2d63A1 TYR 380 HE2 0.01 -0.01 -0.14 -0.04 6.85 6.67 2d63A1 ALA 381 H 0.02 0.29 0.14 -0.55 8.40 8.31 2d63A1 ALA 381 HA 0.07 0.20 0.63 -0.75 4.34 4.49 2d63A1 ALA 381 HB3 0.03 0.04 -0.12 -0.04 1.41 1.32 2d63A1 VAL 382 H 0.05 0.57 0.23 -0.55 8.24 8.54 2d63A1 VAL 382 HA 0.03 0.15 0.64 -0.75 4.13 4.20 2d63A1 VAL 382 HB 0.03 -0.05 0.17 -0.04 2.12 2.23 2d63A1 VAL 382 HG13 0.01 -0.05 -0.02 -0.04 0.97 0.86 2d63A1 VAL 382 HG23 0.02 0.04 0.00 -0.04 0.95 0.98 2d63A1 ALA 383 H 0.02 0.22 0.20 -0.55 8.40 8.28 2d63A1 ALA 383 HA 0.01 0.12 0.31 -0.75 4.34 4.03 2d63A1 ALA 383 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 2d63A1 SER 384 H 0.04 -0.02 -0.46 -0.55 8.46 7.48 2d63A1 SER 384 HA 0.04 0.13 0.45 -0.75 4.49 4.35 2d63A1 SER 384 HB2 0.27 0.04 0.08 -0.04 3.95 4.30 2d63A1 SER 384 HB3 0.10 -0.02 0.05 -0.04 3.93 4.02 2d63A1 GLY 385 H 0.01 0.68 -0.33 -0.55 8.43 8.24 2d63A1 GLY 385 HA2 -0.02 0.04 0.19 -0.51 4.01 3.72 2d63A1 GLY 385 HA3 -0.14 0.12 0.70 -0.51 4.01 4.18 2d63A1 ARG 386 H 0.08 -0.04 -0.14 -0.55 8.46 7.80 2d63A1 ARG 386 HA 0.21 0.23 0.69 -0.75 4.34 4.72 2d63A1 ARG 386 HB2 0.18 -0.04 -0.01 -0.04 1.90 1.98 2d63A1 ARG 386 HB3 0.01 -0.11 0.08 -0.04 1.80 1.75 2d63A1 ARG 386 HG2 -0.01 0.10 -0.19 -0.04 1.67 1.54 2d63A1 ARG 386 HG3 0.01 0.13 -0.06 -0.04 1.67 1.71 2d63A1 ARG 386 HD2 -1.40 -0.04 -0.06 -0.04 3.22 1.68 2d63A1 ARG 386 HD3 -0.33 -0.07 -0.06 -0.04 3.22 2.72 2d63A1 VAL 387 H 0.15 0.55 0.42 -0.55 8.24 8.81 2d63A1 VAL 387 HA 0.07 0.27 1.03 -0.75 4.13 4.75 2d63A1 VAL 387 HB -0.07 0.05 -0.01 -0.04 2.12 2.05 2d63A1 VAL 387 HG13 0.03 0.03 -0.20 -0.04 0.97 0.78 2d63A1 VAL 387 HG23 -0.06 0.04 0.03 -0.04 0.95 0.92 2d63A1 ASN 388 H 0.08 0.60 0.25 -0.55 8.53 8.91 2d63A1 ASN 388 HA 0.10 0.04 0.66 -0.75 4.76 4.81 2d63A1 ASN 388 HB2 0.21 0.18 -0.22 -0.04 2.88 3.00 2d63A1 ASN 388 HB3 0.03 -0.03 0.02 -0.04 2.79 2.77 2d63A1 ASN 388 HD21 -0.07 0.33 -0.08 -0.04 7.03 7.17 2d63A1 ASN 388 HD22 -0.02 0.08 -0.09 -0.04 7.74 7.67 2d63A1 VAL 389 H -0.09 0.51 0.37 -0.55 8.24 8.48 2d63A1 VAL 389 HA -0.22 0.03 0.34 -0.75 4.13 3.53 2d63A1 VAL 389 HB -0.10 0.14 0.04 -0.04 2.12 2.17 2d63A1 VAL 389 HG13 -0.08 -0.00 -0.15 -0.04 0.97 0.70 2d63A1 VAL 389 HG23 -0.10 0.01 -0.14 -0.04 0.95 0.67 2d63A1 ALA 390 H -0.16 0.22 -0.07 -0.55 8.40 7.84 2d63A1 ALA 390 HA -0.10 0.11 0.43 -0.75 4.34 4.03 2d63A1 ALA 390 HB3 -0.08 -0.04 0.06 -0.04 1.41 1.31 2d63A1 GLY 391 H -0.12 0.35 -0.79 -0.55 8.43 7.32 2d63A1 GLY 391 HA2 -0.13 0.08 0.65 -0.51 4.01 4.10 2d63A1 GLY 391 HA3 -0.09 0.07 0.30 -0.51 4.01 3.78 2d63A1 MET 392 H -0.13 0.55 -0.21 -0.55 8.47 8.14 2d63A1 MET 392 HA -0.09 0.05 0.67 -0.75 4.52 4.40 2d63A1 MET 392 HB2 -0.12 0.12 0.11 -0.04 2.15 2.22 2d63A1 MET 392 HB3 -0.09 -0.07 -0.02 -0.04 2.03 1.81 2d63A1 MET 392 HG2 -0.19 -0.02 -0.11 -0.04 2.63 2.27 2d63A1 MET 392 HG3 -0.20 0.04 0.00 -0.04 2.56 2.36 2d63A1 MET 392 HE3 -0.96 -0.01 -0.16 -0.04 2.10 0.93 2d63A1 THR 393 H -0.05 0.11 0.16 -0.55 8.28 7.96 2d63A1 THR 393 HA -0.04 0.27 0.82 -0.75 4.39 4.68 2d63A1 THR 393 HB -0.03 0.15 0.19 -0.04 4.32 4.60 2d63A1 THR 393 HG23 -0.06 0.06 -0.32 -0.04 1.22 0.85 2d63A1 PRO 394 HA -0.00 0.08 0.46 -0.51 4.44 4.47 2d63A1 PRO 394 HB2 -0.00 0.04 0.07 -0.04 2.28 2.34 2d63A1 PRO 394 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 2d63A1 PRO 394 HG2 -0.00 0.03 0.11 -0.04 2.03 2.13 2d63A1 PRO 394 HG3 -0.00 0.05 0.08 -0.04 2.03 2.12 2d63A1 PRO 394 HD2 -0.01 0.19 0.29 -0.04 3.68 4.10 2d63A1 PRO 394 HD3 -0.02 0.17 0.24 -0.04 3.65 4.01 2d63A1 ASP 395 H -0.01 0.12 -0.30 -0.55 8.40 7.66 2d63A1 ASP 395 HA -0.00 0.13 0.55 -0.75 4.63 4.55 2d63A1 ASP 395 HB2 -0.01 0.02 0.05 -0.04 2.71 2.73 2d63A1 ASP 395 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.70 2d63A1 ASN 396 H -0.02 0.09 -0.08 -0.55 8.53 7.98 2d63A1 ASN 396 HA -0.00 0.25 0.86 -0.75 4.76 5.12 2d63A1 ASN 396 HB2 -0.01 0.04 0.11 -0.04 2.88 2.98 2d63A1 ASN 396 HB3 -0.01 0.05 0.03 -0.04 2.79 2.82 2d63A1 ASN 396 HD21 -0.05 0.34 0.16 -0.04 7.03 7.44 2d63A1 ASN 396 HD22 -0.03 0.04 0.04 -0.04 7.74 7.75 2d63A1 MET 397 H -0.00 0.29 -0.31 -0.55 8.47 7.90 2d63A1 MET 397 HA 0.01 0.03 0.33 -0.75 4.52 4.14 2d63A1 MET 397 HB2 0.01 0.14 0.06 -0.04 2.15 2.31 2d63A1 MET 397 HB3 0.01 0.04 0.06 -0.04 2.03 2.10 2d63A1 MET 397 HG2 0.04 -0.00 -0.13 -0.04 2.63 2.50 2d63A1 MET 397 HG3 0.05 -0.02 -0.19 -0.04 2.56 2.36 2d63A1 MET 397 HE3 0.04 -0.01 -0.16 -0.04 2.10 1.93 2d63A1 ALA 398 H 0.00 0.21 -0.18 -0.55 8.40 7.88 2d63A1 ALA 398 HA -0.00 0.04 0.38 -0.75 4.34 4.01 2d63A1 ALA 398 HB3 -0.00 0.03 0.07 -0.04 1.41 1.46 2d63A1 PRO 399 HA -0.02 0.03 0.43 -0.51 4.44 4.38 2d63A1 PRO 399 HB2 0.02 0.10 -0.01 -0.04 2.28 2.36 2d63A1 PRO 399 HB3 0.02 0.00 0.10 -0.04 2.02 2.09 2d63A1 PRO 399 HG2 0.00 0.19 0.06 -0.04 2.03 2.25 2d63A1 PRO 399 HG3 0.01 0.07 0.09 -0.04 2.03 2.16 2d63A1 PRO 399 HD2 0.00 -0.07 -0.28 -0.04 3.68 3.29 2d63A1 PRO 399 HD3 0.00 0.12 0.10 -0.04 3.65 3.83 2d63A1 LEU 400 H -0.00 0.45 -0.45 -0.55 8.37 7.82 2d63A1 LEU 400 HA -0.02 0.02 0.37 -0.75 4.35 3.97 2d63A1 LEU 400 HB2 -0.01 0.28 0.11 -0.04 1.64 1.98 2d63A1 LEU 400 HB3 0.02 0.11 0.16 -0.04 1.64 1.89 2d63A1 LEU 400 HG -0.03 -0.03 -0.06 -0.04 1.64 1.48 2d63A1 LEU 400 HD13 -0.10 -0.02 -0.11 -0.04 0.93 0.66 2d63A1 LEU 400 HD23 0.06 -0.03 -0.23 -0.04 0.89 0.64 2d63A1 CYS 401 H 0.01 0.65 -0.01 -0.55 8.50 8.60 2d63A1 CYS 401 HA -0.02 -0.03 0.46 -0.75 4.58 4.23 2d63A1 CYS 401 HB2 -0.03 0.12 0.07 -0.04 2.97 3.09 2d63A1 CYS 401 HB3 -0.08 -0.04 -0.09 -0.04 2.97 2.72 2d63A1 GLU 402 H -0.06 0.54 -0.17 -0.55 8.60 8.36 2d63A1 GLU 402 HA -0.08 0.06 0.40 -0.75 4.29 3.91 2d63A1 GLU 402 HB2 -0.08 0.08 0.09 -0.04 2.09 2.14 2d63A1 GLU 402 HB3 -0.06 -0.03 0.02 -0.04 1.99 1.88 2d63A1 GLU 402 HG2 -0.03 -0.03 0.01 -0.04 2.34 2.25 2d63A1 GLU 402 HG3 -0.03 0.45 0.04 -0.04 2.34 2.75 2d63A1 ALA 403 H -0.22 0.49 -0.27 -0.55 8.40 7.85 2d63A1 ALA 403 HA -1.24 0.03 0.40 -0.75 4.34 2.78 2d63A1 ALA 403 HB3 -0.47 0.04 0.10 -0.04 1.41 1.05 2d63A1 ILE 404 H -0.16 0.45 -0.11 -0.55 8.25 7.89 2d63A1 ILE 404 HA -0.09 -0.01 0.35 -0.75 4.18 3.68 2d63A1 ILE 404 HB -0.09 0.09 0.14 -0.04 1.89 1.99 2d63A1 ILE 404 HG12 -0.02 -0.07 -0.04 -0.04 1.49 1.32 2d63A1 ILE 404 HG13 -0.03 0.19 0.03 -0.04 1.21 1.35 2d63A1 ILE 404 HG23 -0.12 -0.02 -0.20 -0.04 0.93 0.54 2d63A1 ILE 404 HD13 0.12 -0.02 -0.09 -0.04 0.88 0.84 2d63A1 VAL 405 H -0.11 0.76 -0.10 -0.55 8.24 8.25 2d63A1 VAL 405 HA -0.01 -0.11 0.36 -0.75 4.13 3.62 2d63A1 VAL 405 HB -0.07 0.12 0.07 -0.04 2.12 2.20 2d63A1 VAL 405 HG13 -0.01 0.03 -0.17 -0.04 0.97 0.78 2d63A1 VAL 405 HG23 -0.05 0.01 -0.08 -0.04 0.95 0.78 2d63A1 ALA 406 H -0.15 0.37 -0.57 -0.55 8.40 7.50 2d63A1 ALA 406 HA 0.00 0.02 0.42 -0.75 4.34 4.02 2d63A1 ALA 406 HB3 -0.09 0.04 0.11 -0.04 1.41 1.43 2d63A1 VAL 408 H -0.03 0.45 -0.30 -0.55 8.24 7.82 2d63A1 VAL 408 HA 0.07 0.18 0.91 -0.75 4.13 4.54 2d63A1 VAL 408 HB 0.07 -0.14 0.15 -0.04 2.12 2.15 2d63A1 VAL 408 HG13 0.15 0.05 -0.11 -0.04 0.97 1.02 2d63A1 VAL 408 HG23 0.02 0.03 -0.04 -0.04 0.95 0.92 2d63A1 LEU 409 H 0.03 0.38 -0.29 -0.55 8.37 7.94 2d63A1 LEU 409 HA 0.06 0.04 0.38 -0.75 4.35 4.08 2d63A1 LEU 409 HB2 0.05 0.19 0.14 -0.04 1.64 1.98 2d63A1 LEU 409 HB3 0.07 -0.09 0.10 -0.04 1.64 1.68 2d63A1 LEU 409 HG 0.06 0.36 -0.02 -0.04 1.64 2.00 2d63A1 LEU 409 HD13 0.21 -0.03 0.04 -0.04 0.93 1.10 2d63A1 LEU 409 HD23 0.18 -0.03 -0.09 -0.04 0.89 0.91