============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 10 1.040 18.140 8.879 -8.949 -99.200 -91.000 TRP6 10 1.020 17.635 8.109 -11.155 -99.200 -91.000 TYR 17 0.840 14.756 16.794 -0.595 -99.200 -91.000 PHE 27 1.000 29.096 4.249 3.267 -99.200 -91.000 HIS 39 0.900 15.247 17.445 -5.069 -99.200 -91.000 PHE 47 1.000 15.778 0.799 -10.839 -99.200 -91.000 PHE 61 1.000 16.032 3.470 0.355 -99.200 -91.000 TRP 62 1.040 7.299 3.245 -5.550 -99.200 -91.000 TRP6 62 1.020 7.917 5.428 -6.327 -99.200 -91.000 HIS 64 0.900 3.516 -3.608 -0.599 -99.200 -91.000 PHE 67 1.000 11.272 -2.092 -4.212 -99.200 -91.000 TYR 70 0.840 11.058 -1.081 -10.767 -99.200 -91.000 PHE 85 1.000 19.512 -6.282 7.150 -99.200 -91.000 TYR 90 0.840 8.277 -5.622 14.746 -99.200 -91.000 PHE 92 1.000 4.197 -6.812 11.769 -99.200 -91.000 TRP 94 1.040 11.896 -10.701 7.277 -99.200 -91.000 TRP6 94 1.020 13.068 -10.654 5.190 -99.200 -91.000 TYR 99 0.840 8.788 -11.476 -7.018 -99.200 -91.000 TYR 106 0.840 16.918 -7.783 3.779 -99.200 -91.000 TYR 117 0.840 -4.050 16.341 0.360 -99.200 -91.000 TRP 129 1.040 -14.698 8.769 3.818 -99.200 -91.000 TRP6 129 1.020 -14.802 8.992 1.431 -99.200 -91.000 PHE 149 1.000 -14.764 7.666 -4.333 -99.200 -91.000 TYR 155 0.840 -8.461 -2.427 -3.893 -99.200 -91.000 PHE 156 1.000 -9.895 3.431 -6.115 -99.200 -91.000 TRP 158 1.040 -12.151 -2.928 2.654 -99.200 -91.000 TRP6 158 1.020 -13.921 -3.955 3.906 -99.200 -91.000 TYR 167 0.840 -13.636 -8.796 10.885 -99.200 -91.000 PHE 169 1.000 -11.565 -12.895 3.369 -99.200 -91.000 TYR 171 0.840 -2.613 -14.544 8.298 -99.200 -91.000 TYR 176 0.840 -5.966 -15.077 6.012 -99.200 -91.000 PHE 194 1.000 -22.059 9.865 4.826 -99.200 -91.000 HIS 203 0.900 -25.248 14.828 -1.695 -99.200 -91.000 TYR 210 0.840 -8.900 3.761 -12.602 -99.200 -91.000 PHE 217 1.000 -4.892 12.742 -9.527 -99.200 -91.000 TRP 230 1.040 0.151 -3.705 -8.078 -99.200 -91.000 TRP6 230 1.020 0.458 -5.393 -6.402 -99.200 -91.000 TRP 232 1.040 -10.236 -3.582 -10.729 -99.200 -91.000 TRP6 232 1.020 -11.947 -3.222 -12.373 -99.200 -91.000 TYR 242 0.840 1.575 6.115 -2.180 -99.200 -91.000 PHE 250 1.000 -19.990 6.396 9.381 -99.200 -91.000 PHE 258 1.000 -6.789 -4.451 1.318 -99.200 -91.000 PHE 279 1.000 24.186 5.081 2.511 -99.200 -91.000 TYR 283 0.840 27.685 5.410 8.765 -99.200 -91.000 TYR 307 0.840 14.971 4.836 15.469 -99.200 -91.000 PHE 339 1.000 -14.132 -8.369 1.005 -99.200 -91.000 TRP 340 1.040 -11.307 -7.271 -3.869 -99.200 -91.000 TRP6 340 1.020 -11.560 -5.593 -2.174 -99.200 -91.000 TYR 341 0.840 -18.544 -11.214 -10.034 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d21A6 LYS 1 HA -0.01 -0.09 0.20 -0.75 4.32 3.66 2d21A6 LYS 1 HB2 -0.01 -0.03 0.04 -0.04 1.87 1.82 2d21A6 LYS 1 HB3 -0.01 -0.03 0.02 -0.04 1.79 1.73 2d21A6 LYS 1 HG2 -0.01 -0.06 -0.06 -0.04 1.46 1.30 2d21A6 LYS 1 HG3 -0.01 -0.00 -0.42 -0.04 1.46 0.99 2d21A6 LYS 1 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.66 2d21A6 LYS 1 HD3 -0.01 -0.04 0.07 -0.04 1.68 1.66 2d21A6 LYS 1 HE2 -0.01 -0.01 0.04 -0.04 2.99 2.97 2d21A6 LYS 1 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.93 2d21A6 ILE 2 H -0.02 0.07 0.08 -0.55 8.25 7.83 2d21A6 ILE 2 HA -0.02 0.20 0.78 -0.75 4.18 4.38 2d21A6 ILE 2 HB -0.02 -0.12 0.07 -0.04 1.89 1.78 2d21A6 ILE 2 HG12 -0.03 0.24 0.07 -0.04 1.49 1.74 2d21A6 ILE 2 HG13 -0.03 0.06 -0.03 -0.04 1.21 1.17 2d21A6 ILE 2 HG23 -0.03 0.05 0.02 -0.04 0.93 0.93 2d21A6 ILE 2 HD13 -0.02 -0.04 0.03 -0.04 0.88 0.81 2d21A6 GLU 3 H -0.02 0.21 0.08 -0.55 8.60 8.33 2d21A6 GLU 3 HA -0.01 0.04 0.50 -0.75 4.29 4.07 2d21A6 GLU 3 HB2 -0.02 -0.02 0.10 -0.04 2.09 2.11 2d21A6 GLU 3 HB3 -0.01 0.01 -0.05 -0.04 1.99 1.90 2d21A6 GLU 3 HG2 -0.02 0.11 0.02 -0.04 2.34 2.42 2d21A6 GLU 3 HG3 -0.01 -0.03 -0.00 -0.04 2.34 2.25 2d21A6 GLU 4 H -0.01 0.22 0.22 -0.55 8.60 8.48 2d21A6 GLU 4 HA -0.01 -0.02 0.60 -0.75 4.29 4.10 2d21A6 GLU 4 HB2 -0.00 0.02 0.22 -0.04 2.09 2.28 2d21A6 GLU 4 HB3 -0.00 -0.03 0.08 -0.04 1.99 1.99 2d21A6 GLU 4 HG2 -0.00 -0.09 0.06 -0.04 2.34 2.26 2d21A6 GLU 4 HG3 -0.01 0.11 -0.03 -0.04 2.34 2.37 2d21A6 GLY 5 H -0.00 0.08 0.26 -0.55 8.43 8.22 2d21A6 GLY 5 HA2 0.01 -0.02 0.30 -0.51 4.01 3.78 2d21A6 GLY 5 HA3 0.00 0.20 0.83 -0.51 4.01 4.54 2d21A6 LYS 6 H -0.00 0.16 0.26 -0.55 8.42 8.28 2d21A6 LYS 6 HA -0.01 0.10 0.73 -0.75 4.32 4.39 2d21A6 LYS 6 HB2 -0.03 -0.04 0.04 -0.04 1.87 1.81 2d21A6 LYS 6 HB3 -0.02 0.06 -0.21 -0.04 1.79 1.58 2d21A6 LYS 6 HG2 -0.02 0.06 -0.11 -0.04 1.46 1.34 2d21A6 LYS 6 HG3 -0.02 -0.04 -0.01 -0.04 1.46 1.35 2d21A6 LYS 6 HD2 -0.05 0.04 -0.16 -0.04 1.69 1.49 2d21A6 LYS 6 HD3 -0.05 -0.09 -0.36 -0.04 1.68 1.14 2d21A6 LYS 6 HE2 -0.03 -0.04 -0.10 -0.04 2.99 2.77 2d21A6 LYS 6 HE3 -0.03 0.02 -0.06 -0.04 2.99 2.87 2d21A6 LEU 7 H -0.04 0.45 0.18 -0.55 8.37 8.42 2d21A6 LEU 7 HA -0.04 0.04 0.62 -0.75 4.35 4.21 2d21A6 LEU 7 HB2 -0.13 0.16 0.04 -0.04 1.64 1.66 2d21A6 LEU 7 HB3 -0.04 -0.07 -0.06 -0.04 1.64 1.43 2d21A6 LEU 7 HG -0.03 0.01 -0.40 -0.04 1.64 1.18 2d21A6 LEU 7 HD13 -0.14 0.04 -0.20 -0.04 0.93 0.59 2d21A6 LEU 7 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2d21A6 VAL 8 H -0.06 0.13 0.21 -0.55 8.24 7.97 2d21A6 VAL 8 HA -0.02 0.21 0.93 -0.75 4.13 4.50 2d21A6 VAL 8 HB -0.22 -0.12 0.11 -0.04 2.12 1.85 2d21A6 VAL 8 HG13 -0.29 0.01 -0.16 -0.04 0.97 0.49 2d21A6 VAL 8 HG23 -0.08 0.02 -0.24 -0.04 0.95 0.60 2d21A6 ILE 9 H 0.09 0.79 0.32 -0.55 8.25 8.90 2d21A6 ILE 9 HA 0.18 0.13 0.89 -0.75 4.18 4.63 2d21A6 ILE 9 HB 0.20 -0.02 0.13 -0.04 1.89 2.16 2d21A6 ILE 9 HG12 0.32 -0.02 -0.14 -0.04 1.49 1.60 2d21A6 ILE 9 HG13 0.15 0.07 -0.10 -0.04 1.21 1.29 2d21A6 ILE 9 HG23 0.30 0.00 -0.12 -0.04 0.93 1.06 2d21A6 ILE 9 HD13 0.31 -0.01 -0.11 -0.04 0.88 1.04 2d21A6 TRP 10 H 0.34 0.35 0.23 -0.55 7.97 8.35 2d21A6 TRP 10 HA 0.07 0.18 0.83 -0.75 4.62 4.95 2d21A6 TRP 10 HB2 0.03 0.04 0.12 -0.04 3.23 3.39 2d21A6 TRP 10 HB3 0.06 -0.06 0.01 -0.04 3.23 3.20 2d21A6 TRP 10 HD1 0.03 0.26 -0.01 -0.04 7.22 7.45 2d21A6 TRP 10 HE1 0.01 0.02 -0.09 -0.04 10.20 10.10 2d21A6 TRP 10 HE3 0.06 -0.02 0.00 -0.04 7.59 7.60 2d21A6 TRP 10 HZ2 0.01 0.06 -0.08 -0.04 7.44 7.39 2d21A6 TRP 10 HZ3 0.10 -0.06 -0.23 -0.04 7.13 6.91 2d21A6 TRP 10 HH2 0.03 0.07 -0.14 -0.04 7.19 7.11 2d21A6 ILE 11 H 0.16 0.43 0.31 -0.55 8.25 8.60 2d21A6 ILE 11 HA 0.28 0.09 0.63 -0.75 4.18 4.43 2d21A6 ILE 11 HB 0.06 0.04 0.09 -0.04 1.89 2.04 2d21A6 ILE 11 HG12 0.03 -0.01 -0.14 -0.04 1.49 1.32 2d21A6 ILE 11 HG13 0.15 -0.07 -0.28 -0.04 1.21 0.96 2d21A6 ILE 11 HG23 0.10 0.04 0.05 -0.04 0.93 1.08 2d21A6 ILE 11 HD13 0.15 0.03 -0.01 -0.04 0.88 1.00 2d21A6 ASN 12 H 0.08 0.11 0.18 -0.55 8.53 8.35 2d21A6 ASN 12 HA 0.06 0.38 0.71 -0.75 4.76 5.16 2d21A6 ASN 12 HB2 -0.04 -0.04 0.18 -0.04 2.88 2.93 2d21A6 ASN 12 HB3 0.09 -0.03 0.14 -0.04 2.79 2.95 2d21A6 ASN 12 HD21 -0.18 -0.12 -0.06 -0.04 7.03 6.63 2d21A6 ASN 12 HD22 -0.34 0.16 0.01 -0.04 7.74 7.53 2d21A6 GLY 13 H -0.01 0.14 0.14 -0.55 8.43 8.15 2d21A6 GLY 13 HA2 -0.04 0.10 0.31 -0.51 4.01 3.87 2d21A6 GLY 13 HA3 -0.01 0.06 0.31 -0.51 4.01 3.86 2d21A6 ASP 14 H -0.04 0.03 -0.15 -0.55 8.40 7.69 2d21A6 ASP 14 HA 0.01 0.13 0.41 -0.75 4.63 4.43 2d21A6 ASP 14 HB2 -0.04 -0.01 0.03 -0.04 2.71 2.65 2d21A6 ASP 14 HB3 -0.11 0.01 0.01 -0.04 2.70 2.57 2d21A6 LYS 15 H 0.00 0.21 -0.55 -0.55 8.42 7.53 2d21A6 LYS 15 HA -0.04 0.11 0.45 -0.75 4.32 4.08 2d21A6 LYS 15 HB2 0.03 0.25 0.02 -0.04 1.87 2.12 2d21A6 LYS 15 HB3 0.00 -0.04 -0.18 -0.04 1.79 1.53 2d21A6 LYS 15 HG2 -0.07 -0.05 0.01 -0.04 1.46 1.32 2d21A6 LYS 15 HG3 -0.11 0.03 -0.02 -0.04 1.46 1.33 2d21A6 LYS 15 HD2 -0.13 0.08 -0.20 -0.04 1.69 1.41 2d21A6 LYS 15 HD3 -0.13 -0.08 -0.05 -0.04 1.68 1.37 2d21A6 LYS 15 HE2 -0.36 0.01 -0.02 -0.04 2.99 2.58 2d21A6 LYS 15 HE3 -0.17 -0.01 0.02 -0.04 2.99 2.79 2d21A6 GLY 16 H -0.04 0.17 0.01 -0.55 8.43 8.02 2d21A6 GLY 16 HA2 -0.08 0.17 0.48 -0.51 4.01 4.06 2d21A6 GLY 16 HA3 -0.06 0.15 0.41 -0.51 4.01 4.00 2d21A6 TYR 17 H 0.15 0.73 -0.30 -0.55 8.29 8.32 2d21A6 TYR 17 HA 0.01 0.05 0.35 -0.75 4.56 4.21 2d21A6 TYR 17 HB2 0.09 -0.00 -0.15 -0.04 3.06 2.96 2d21A6 TYR 17 HB3 0.05 0.10 -0.07 -0.04 2.98 3.02 2d21A6 TYR 17 HD2 0.04 0.18 -0.08 -0.04 7.15 7.24 2d21A6 TYR 17 HE2 -0.13 0.06 0.01 -0.04 6.85 6.75 2d21A6 ASN 18 H -1.02 0.20 -0.08 -0.55 8.53 7.09 2d21A6 ASN 18 HA -0.20 0.08 0.32 -0.75 4.76 4.21 2d21A6 ASN 18 HB2 -0.42 0.00 0.10 -0.04 2.88 2.53 2d21A6 ASN 18 HB3 -0.23 0.05 -0.02 -0.04 2.79 2.56 2d21A6 ASN 18 HD21 -0.53 0.06 0.05 -0.04 7.03 6.57 2d21A6 ASN 18 HD22 -0.41 0.03 0.02 -0.04 7.74 7.34 2d21A6 GLY 19 H -0.18 0.07 -0.22 -0.55 8.43 7.55 2d21A6 GLY 19 HA2 -0.06 0.05 0.35 -0.51 4.01 3.84 2d21A6 GLY 19 HA3 -0.07 0.21 0.34 -0.51 4.01 3.98 2d21A6 LEU 20 H -0.05 0.49 -0.34 -0.55 8.37 7.92 2d21A6 LEU 20 HA 0.00 0.02 0.41 -0.75 4.35 4.03 2d21A6 LEU 20 HB2 -0.05 0.05 0.08 -0.04 1.64 1.67 2d21A6 LEU 20 HB3 0.03 0.10 0.12 -0.04 1.64 1.85 2d21A6 LEU 20 HG 0.10 -0.03 -0.17 -0.04 1.64 1.50 2d21A6 LEU 20 HD13 0.00 -0.02 0.01 -0.04 0.93 0.88 2d21A6 LEU 20 HD23 -0.12 -0.01 -0.09 -0.04 0.89 0.63 2d21A6 ALA 21 H 0.02 0.55 -0.19 -0.55 8.40 8.23 2d21A6 ALA 21 HA 0.07 -0.02 0.37 -0.75 4.34 4.00 2d21A6 ALA 21 HB3 0.05 0.05 0.11 -0.04 1.41 1.57 2d21A6 GLU 22 H 0.00 0.42 -0.29 -0.55 8.60 8.19 2d21A6 GLU 22 HA 0.00 0.01 0.28 -0.75 4.29 3.83 2d21A6 GLU 22 HB2 0.00 0.18 0.06 -0.04 2.09 2.29 2d21A6 GLU 22 HB3 0.01 -0.05 0.04 -0.04 1.99 1.94 2d21A6 GLU 22 HG2 -0.02 0.19 0.09 -0.04 2.34 2.55 2d21A6 GLU 22 HG3 -0.02 -0.01 0.03 -0.04 2.34 2.30 2d21A6 VAL 23 H 0.05 0.35 -0.37 -0.55 8.24 7.72 2d21A6 VAL 23 HA 0.08 0.03 0.48 -0.75 4.13 3.97 2d21A6 VAL 23 HB 0.15 0.13 0.10 -0.04 2.12 2.46 2d21A6 VAL 23 HG13 0.18 -0.02 -0.18 -0.04 0.97 0.90 2d21A6 VAL 23 HG23 0.03 0.07 0.06 -0.04 0.95 1.06 2d21A6 GLY 24 H 0.13 0.60 -0.01 -0.55 8.43 8.60 2d21A6 GLY 24 HA2 -0.19 -0.02 0.34 -0.51 4.01 3.63 2d21A6 GLY 24 HA3 -0.00 0.09 0.27 -0.51 4.01 3.86 2d21A6 LYS 25 H -0.00 0.72 -0.04 -0.55 8.42 8.54 2d21A6 LYS 25 HA -0.05 0.04 0.42 -0.75 4.32 3.98 2d21A6 LYS 25 HB2 -0.02 -0.03 0.01 -0.04 1.87 1.78 2d21A6 LYS 25 HB3 -0.01 0.01 0.07 -0.04 1.79 1.81 2d21A6 LYS 25 HG2 -0.00 -0.06 -0.12 -0.04 1.46 1.24 2d21A6 LYS 25 HG3 -0.01 0.06 0.08 -0.04 1.46 1.55 2d21A6 LYS 25 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.66 2d21A6 LYS 25 HD3 -0.02 0.01 -0.19 -0.04 1.68 1.43 2d21A6 LYS 25 HE2 -0.02 -0.01 -0.09 -0.04 2.99 2.83 2d21A6 LYS 25 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 2d21A6 LYS 26 H -0.05 0.31 -0.44 -0.55 8.42 7.69 2d21A6 LYS 26 HA -0.09 0.03 0.46 -0.75 4.32 3.96 2d21A6 LYS 26 HB2 -0.03 0.01 0.12 -0.04 1.87 1.93 2d21A6 LYS 26 HB3 -0.10 0.13 0.23 -0.04 1.79 2.02 2d21A6 LYS 26 HG2 0.07 -0.05 -0.01 -0.04 1.46 1.43 2d21A6 LYS 26 HG3 -0.73 0.02 -0.20 -0.04 1.46 0.51 2d21A6 LYS 26 HD2 0.03 -0.01 -0.16 -0.04 1.69 1.51 2d21A6 LYS 26 HD3 -0.08 -0.03 -0.00 -0.04 1.68 1.52 2d21A6 LYS 26 HE2 0.04 0.01 -0.01 -0.04 2.99 2.98 2d21A6 LYS 26 HE3 0.16 -0.02 -0.03 -0.04 2.99 3.06 2d21A6 PHE 27 H -0.21 0.61 -0.08 -0.55 8.34 8.10 2d21A6 PHE 27 HA -0.66 0.00 0.30 -0.75 4.62 3.50 2d21A6 PHE 27 HB2 -0.35 -0.02 0.07 -0.04 3.15 2.80 2d21A6 PHE 27 HB3 -0.43 0.14 0.15 -0.04 3.06 2.88 2d21A6 PHE 27 HD2 0.07 0.08 -0.17 -0.04 7.28 7.21 2d21A6 PHE 27 HE2 0.04 0.01 -0.18 -0.04 7.38 7.21 2d21A6 PHE 27 HZ 0.05 -0.01 -0.06 -0.04 7.32 7.25 2d21A6 GLU 28 H -0.08 0.59 -0.21 -0.55 8.60 8.36 2d21A6 GLU 28 HA -0.18 -0.00 0.38 -0.75 4.29 3.73 2d21A6 GLU 28 HB2 -0.04 0.04 0.05 -0.04 2.09 2.10 2d21A6 GLU 28 HB3 -0.07 0.05 0.09 -0.04 1.99 2.02 2d21A6 GLU 28 HG2 -0.06 -0.01 -0.24 -0.04 2.34 1.99 2d21A6 GLU 28 HG3 -0.06 -0.00 -0.31 -0.04 2.34 1.93 2d21A6 LYS 29 H -0.14 0.52 -0.29 -0.55 8.42 7.96 2d21A6 LYS 29 HA -0.08 0.01 0.48 -0.75 4.32 3.97 2d21A6 LYS 29 HB2 -0.07 0.13 0.15 -0.04 1.87 2.04 2d21A6 LYS 29 HB3 -0.09 0.10 0.17 -0.04 1.79 1.93 2d21A6 LYS 29 HG2 -0.04 -0.06 -0.01 -0.04 1.46 1.32 2d21A6 LYS 29 HG3 -0.04 -0.02 0.01 -0.04 1.46 1.36 2d21A6 LYS 29 HD2 -0.03 -0.05 0.01 -0.04 1.69 1.58 2d21A6 LYS 29 HD3 -0.04 0.01 0.05 -0.04 1.68 1.66 2d21A6 LYS 29 HE2 -0.04 0.08 -0.02 -0.04 2.99 2.98 2d21A6 LYS 29 HE3 -0.03 -0.03 -0.04 -0.04 2.99 2.85 2d21A6 ASP 30 H -0.22 0.44 -0.20 -0.55 8.40 7.87 2d21A6 ASP 30 HA -0.08 0.08 0.58 -0.75 4.63 4.46 2d21A6 ASP 30 HB2 -0.15 0.08 0.08 -0.04 2.71 2.67 2d21A6 ASP 30 HB3 -0.01 -0.06 0.05 -0.04 2.70 2.64 2d21A6 THR 31 H -0.34 0.25 -0.10 -0.55 8.28 7.55 2d21A6 THR 31 HA -0.17 0.16 0.88 -0.75 4.39 4.50 2d21A6 THR 31 HB -0.26 -0.08 0.03 -0.04 4.32 3.97 2d21A6 THR 31 HG23 -0.51 -0.00 -0.15 -0.04 1.22 0.52 2d21A6 GLY 32 H -0.19 0.44 0.14 -0.55 8.43 8.28 2d21A6 GLY 32 HA2 -0.07 0.10 0.35 -0.51 4.01 3.88 2d21A6 GLY 32 HA3 -0.06 0.07 0.57 -0.51 4.01 4.07 2d21A6 ILE 33 H -0.08 0.02 -0.42 -0.55 8.25 7.22 2d21A6 ILE 33 HA 0.01 0.18 0.45 -0.75 4.18 4.06 2d21A6 ILE 33 HB 0.28 -0.04 -0.07 -0.04 1.89 2.03 2d21A6 ILE 33 HG12 0.01 0.05 -0.12 -0.04 1.49 1.38 2d21A6 ILE 33 HG13 0.16 -0.05 -0.06 -0.04 1.21 1.21 2d21A6 ILE 33 HG23 0.07 -0.03 -0.32 -0.04 0.93 0.60 2d21A6 ILE 33 HD13 0.03 0.00 -0.05 -0.04 0.88 0.82 2d21A6 LYS 34 H -0.00 0.45 0.32 -0.55 8.42 8.64 2d21A6 LYS 34 HA -0.02 0.05 0.39 -0.75 4.32 3.99 2d21A6 LYS 34 HB2 -0.01 0.05 0.28 -0.04 1.87 2.15 2d21A6 LYS 34 HB3 -0.02 -0.05 -0.01 -0.04 1.79 1.67 2d21A6 LYS 34 HG2 -0.01 -0.04 0.02 -0.04 1.46 1.40 2d21A6 LYS 34 HG3 -0.02 0.00 0.06 -0.04 1.46 1.46 2d21A6 LYS 34 HD2 -0.01 0.00 0.05 -0.04 1.69 1.69 2d21A6 LYS 34 HD3 -0.01 -0.04 0.03 -0.04 1.68 1.62 2d21A6 LYS 34 HE2 -0.01 -0.01 0.28 -0.04 2.99 3.21 2d21A6 LYS 34 HE3 -0.01 -0.02 0.11 -0.04 2.99 3.03 2d21A6 VAL 35 H -0.04 0.16 0.04 -0.55 8.24 7.85 2d21A6 VAL 35 HA -0.10 0.20 0.74 -0.75 4.13 4.21 2d21A6 VAL 35 HB -0.13 -0.01 0.01 -0.04 2.12 1.95 2d21A6 VAL 35 HG13 -0.30 -0.04 -0.15 -0.04 0.97 0.45 2d21A6 VAL 35 HG23 -0.31 0.05 -0.22 -0.04 0.95 0.43 2d21A6 THR 36 H -0.02 0.58 0.27 -0.55 8.28 8.56 2d21A6 THR 36 HA 0.03 0.11 0.71 -0.75 4.39 4.49 2d21A6 THR 36 HB 0.03 -0.09 0.15 -0.04 4.32 4.37 2d21A6 THR 36 HG23 0.08 0.01 -0.05 -0.04 1.22 1.22 2d21A6 VAL 37 H 0.09 0.27 0.17 -0.55 8.24 8.22 2d21A6 VAL 37 HA 0.17 0.16 0.86 -0.75 4.13 4.56 2d21A6 VAL 37 HB 0.12 -0.01 0.11 -0.04 2.12 2.30 2d21A6 VAL 37 HG13 0.17 -0.00 -0.09 -0.04 0.97 1.01 2d21A6 VAL 37 HG23 0.08 0.05 -0.24 -0.04 0.95 0.80 2d21A6 GLU 38 H 0.22 0.46 0.25 -0.55 8.60 8.99 2d21A6 GLU 38 HA 0.01 0.13 0.68 -0.75 4.29 4.36 2d21A6 GLU 38 HB2 0.23 0.05 0.04 -0.04 2.09 2.37 2d21A6 GLU 38 HB3 -0.16 -0.06 0.03 -0.04 1.99 1.76 2d21A6 GLU 38 HG2 0.10 0.10 -0.33 -0.04 2.34 2.16 2d21A6 GLU 38 HG3 0.18 0.00 -0.10 -0.04 2.34 2.38 2d21A6 HIS 39 H -0.74 0.15 0.03 -0.55 8.41 7.30 2d21A6 HIS 39 HA -0.14 0.27 0.79 -0.75 4.63 4.80 2d21A6 HIS 39 HB2 -0.54 0.04 0.07 -0.04 3.26 2.79 2d21A6 HIS 39 HB3 -0.84 -0.02 -0.10 -0.04 3.20 2.20 2d21A6 HIS 39 HD2 -0.21 -0.00 -0.06 -0.04 6.97 6.65 2d21A6 HIS 39 HE1 -0.12 0.01 0.02 -0.04 7.75 7.62 2d21A6 PRO 40 HA -0.30 0.09 0.49 -0.51 4.44 4.21 2d21A6 PRO 40 HB2 -0.48 -0.27 -0.04 -0.04 2.28 1.45 2d21A6 PRO 40 HB3 -0.74 0.11 0.07 -0.04 2.02 1.41 2d21A6 PRO 40 HG2 -0.27 0.03 0.05 -0.04 2.03 1.79 2d21A6 PRO 40 HG3 -1.26 0.06 0.05 -0.04 2.03 0.84 2d21A6 PRO 40 HD2 -0.11 0.24 0.16 -0.04 3.68 3.92 2d21A6 PRO 40 HD3 -0.38 0.05 -0.19 -0.04 3.65 3.10 2d21A6 ASP 41 H -0.14 0.23 0.16 -0.55 8.40 8.11 2d21A6 ASP 41 HA 0.01 0.10 0.81 -0.75 4.63 4.80 2d21A6 ASP 41 HB2 -0.03 0.04 0.10 -0.04 2.71 2.78 2d21A6 ASP 41 HB3 0.01 0.04 0.22 -0.04 2.70 2.93 2d21A6 LYS 42 H -0.11 0.00 -0.10 -0.55 8.42 7.65 2d21A6 LYS 42 HA 0.02 0.16 0.45 -0.75 4.32 4.20 2d21A6 LYS 42 HB2 -0.02 0.01 0.16 -0.04 1.87 1.98 2d21A6 LYS 42 HB3 -0.02 0.21 0.07 -0.04 1.79 2.01 2d21A6 LYS 42 HG2 -0.06 0.11 -0.05 -0.04 1.46 1.42 2d21A6 LYS 42 HG3 -0.11 -0.13 -0.13 -0.04 1.46 1.06 2d21A6 LYS 42 HD2 -0.12 -0.07 -0.17 -0.04 1.69 1.30 2d21A6 LYS 42 HD3 -0.10 0.10 -0.07 -0.04 1.68 1.56 2d21A6 LYS 42 HE2 -0.32 -0.19 -0.08 -0.04 2.99 2.36 2d21A6 LYS 42 HE3 -0.50 -0.01 -0.21 -0.04 2.99 2.23 2d21A6 LEU 43 H -0.09 0.12 -0.05 -0.55 8.37 7.81 2d21A6 LEU 43 HA -0.24 0.08 0.48 -0.75 4.35 3.92 2d21A6 LEU 43 HB2 0.16 0.05 0.01 -0.04 1.64 1.83 2d21A6 LEU 43 HB3 -0.35 0.05 0.02 -0.04 1.64 1.32 2d21A6 LEU 43 HG 0.05 0.03 -0.24 -0.04 1.64 1.44 2d21A6 LEU 43 HD13 0.32 0.01 -0.27 -0.04 0.93 0.95 2d21A6 LEU 43 HD23 0.19 0.00 -0.19 -0.04 0.89 0.86 2d21A6 GLU 44 H -0.03 0.06 -0.40 -0.55 8.60 7.69 2d21A6 GLU 44 HA -0.18 0.09 0.26 -0.75 4.29 3.70 2d21A6 GLU 44 HB2 -0.17 0.09 -0.01 -0.04 2.09 1.96 2d21A6 GLU 44 HB3 -0.57 -0.02 -0.00 -0.04 1.99 1.36 2d21A6 GLU 44 HG2 0.03 0.01 -0.14 -0.04 2.34 2.20 2d21A6 GLU 44 HG3 0.07 0.11 -0.10 -0.04 2.34 2.37 2d21A6 GLU 45 H 0.03 0.20 -0.46 -0.55 8.60 7.83 2d21A6 GLU 45 HA 0.09 0.22 0.80 -0.75 4.29 4.64 2d21A6 GLU 45 HB2 0.05 0.03 0.05 -0.04 2.09 2.18 2d21A6 GLU 45 HB3 0.05 0.01 -0.10 -0.04 1.99 1.90 2d21A6 GLU 45 HG2 0.03 -0.07 0.03 -0.04 2.34 2.29 2d21A6 GLU 45 HG3 0.03 0.05 -0.10 -0.04 2.34 2.28 2d21A6 LYS 46 H 0.07 0.08 -0.01 -0.55 8.42 8.01 2d21A6 LYS 46 HA 0.11 0.14 0.51 -0.75 4.32 4.32 2d21A6 LYS 46 HB2 -0.07 0.03 0.09 -0.04 1.87 1.88 2d21A6 LYS 46 HB3 0.20 0.00 -0.08 -0.04 1.79 1.87 2d21A6 LYS 46 HG2 0.02 0.03 -0.05 -0.04 1.46 1.41 2d21A6 LYS 46 HG3 -0.10 -0.05 -0.08 -0.04 1.46 1.19 2d21A6 LYS 46 HD2 0.09 0.01 -0.06 -0.04 1.69 1.69 2d21A6 LYS 46 HD3 0.32 -0.01 -0.10 -0.04 1.68 1.86 2d21A6 LYS 46 HE2 0.12 -0.05 -0.04 -0.04 2.99 2.99 2d21A6 LYS 46 HE3 0.07 0.01 -0.04 -0.04 2.99 2.99 2d21A6 PHE 47 H 0.41 0.51 0.08 -0.55 8.34 8.79 2d21A6 PHE 47 HA 0.22 -0.01 0.40 -0.75 4.62 4.47 2d21A6 PHE 47 HB2 0.25 -0.04 0.08 -0.04 3.15 3.40 2d21A6 PHE 47 HB3 -0.01 0.14 0.08 -0.04 3.06 3.23 2d21A6 PHE 47 HD2 -0.51 0.01 -0.06 -0.04 7.28 6.67 2d21A6 PHE 47 HE2 -0.72 0.03 -0.14 -0.04 7.38 6.50 2d21A6 PHE 47 HZ -0.31 0.13 -0.19 -0.04 7.32 6.91 2d21A6 PRO 48 HA -0.51 0.03 0.25 -0.51 4.44 3.69 2d21A6 PRO 48 HB2 -0.02 0.07 -0.05 -0.04 2.28 2.24 2d21A6 PRO 48 HB3 -0.03 0.00 0.03 -0.04 2.02 1.97 2d21A6 PRO 48 HG2 0.07 0.24 -0.15 -0.04 2.03 2.14 2d21A6 PRO 48 HG3 0.22 0.09 -0.03 -0.04 2.03 2.26 2d21A6 PRO 48 HD2 0.18 -0.04 -0.52 -0.04 3.68 3.27 2d21A6 PRO 48 HD3 0.15 0.10 -0.06 -0.04 3.65 3.80 2d21A6 GLN 49 H 0.01 0.36 -0.61 -0.55 8.47 7.68 2d21A6 GLN 49 HA -0.02 0.11 0.60 -0.75 4.36 4.30 2d21A6 GLN 49 HB2 0.06 0.09 0.15 -0.04 2.15 2.41 2d21A6 GLN 49 HB3 0.03 -0.05 0.08 -0.04 2.02 2.04 2d21A6 GLN 49 HG2 0.02 0.00 -0.05 -0.04 2.40 2.33 2d21A6 GLN 49 HG3 0.03 -0.03 0.02 -0.04 2.39 2.38 2d21A6 GLN 49 HE21 0.02 -0.02 0.00 -0.04 6.97 6.93 2d21A6 GLN 49 HE22 0.01 -0.02 0.01 -0.04 7.69 7.65 2d21A6 VAL 50 H -0.06 0.34 -0.08 -0.55 8.24 7.89 2d21A6 VAL 50 HA -0.03 0.22 0.80 -0.75 4.13 4.37 2d21A6 VAL 50 HB -0.01 -0.05 -0.09 -0.04 2.12 1.93 2d21A6 VAL 50 HG13 -0.00 -0.03 -0.25 -0.04 0.97 0.65 2d21A6 VAL 50 HG23 0.15 0.08 -0.23 -0.04 0.95 0.92 2d21A6 ALA 51 H -0.22 0.70 0.26 -0.55 8.40 8.60 2d21A6 ALA 51 HA -0.15 -0.06 0.47 -0.75 4.34 3.86 2d21A6 ALA 51 HB3 -0.43 0.02 0.06 -0.04 1.41 1.02 2d21A6 ALA 52 H -0.20 0.17 -0.35 -0.55 8.40 7.47 2d21A6 ALA 52 HA -0.12 0.10 0.24 -0.75 4.34 3.80 2d21A6 ALA 52 HB3 -0.10 0.04 0.01 -0.04 1.41 1.33 2d21A6 THR 53 H -0.09 0.12 -0.91 -0.55 8.28 6.85 2d21A6 THR 53 HA -0.04 0.17 0.61 -0.75 4.39 4.37 2d21A6 THR 53 HB -0.03 0.04 -0.13 -0.04 4.32 4.15 2d21A6 THR 53 HG23 -0.04 -0.04 -0.08 -0.04 1.22 1.02 2d21A6 GLY 54 H -0.08 0.43 -0.03 -0.55 8.43 8.21 2d21A6 GLY 54 HA2 -0.07 -0.01 0.31 -0.51 4.01 3.74 2d21A6 GLY 54 HA3 -0.05 0.13 0.40 -0.51 4.01 3.99 2d21A6 ASP 55 H -0.06 0.22 -0.39 -0.55 8.40 7.62 2d21A6 ASP 55 HA -0.05 0.14 0.58 -0.75 4.63 4.54 2d21A6 ASP 55 HB2 -0.03 0.03 0.00 -0.04 2.71 2.67 2d21A6 ASP 55 HB3 -0.03 -0.07 0.05 -0.04 2.70 2.61 2d21A6 GLY 56 H -0.11 0.02 -0.51 -0.55 8.43 7.29 2d21A6 GLY 56 HA2 -0.28 0.07 0.37 -0.51 4.01 3.66 2d21A6 GLY 56 HA3 -0.18 -0.08 0.08 -0.51 4.01 3.32 2d21A6 PRO 57 HA -0.40 0.09 0.44 -0.51 4.44 4.06 2d21A6 PRO 57 HB2 -0.32 0.12 0.09 -0.04 2.28 2.13 2d21A6 PRO 57 HB3 -1.14 -0.01 -0.04 -0.04 2.02 0.78 2d21A6 PRO 57 HG2 -0.11 0.02 -0.11 -0.04 2.03 1.79 2d21A6 PRO 57 HG3 -0.38 -0.02 0.00 -0.04 2.03 1.59 2d21A6 PRO 57 HD2 -0.14 0.04 0.16 -0.04 3.68 3.70 2d21A6 PRO 57 HD3 -1.37 0.12 0.09 -0.04 3.65 2.45 2d21A6 ASP 58 H -0.14 0.36 0.36 -0.55 8.40 8.43 2d21A6 ASP 58 HA -0.06 0.18 0.72 -0.75 4.63 4.71 2d21A6 ASP 58 HB2 -0.04 -0.10 0.22 -0.04 2.71 2.74 2d21A6 ASP 58 HB3 -0.04 -0.01 0.14 -0.04 2.70 2.75 2d21A6 ILE 59 H -0.09 0.30 0.29 -0.55 8.25 8.20 2d21A6 ILE 59 HA -0.15 0.21 0.89 -0.75 4.18 4.38 2d21A6 ILE 59 HB 0.09 -0.04 0.07 -0.04 1.89 1.97 2d21A6 ILE 59 HG12 -0.05 0.12 -0.05 -0.04 1.49 1.47 2d21A6 ILE 59 HG13 0.02 -0.16 -0.37 -0.04 1.21 0.65 2d21A6 ILE 59 HG23 -0.37 0.04 0.01 -0.04 0.93 0.57 2d21A6 ILE 59 HD13 0.13 -0.00 -0.05 -0.04 0.88 0.92 2d21A6 ILE 60 H -0.27 0.51 0.25 -0.55 8.25 8.20 2d21A6 ILE 60 HA 0.05 0.19 0.84 -0.75 4.18 4.50 2d21A6 ILE 60 HB -0.68 0.05 -0.20 -0.04 1.89 1.02 2d21A6 ILE 60 HG12 0.16 -0.03 -0.31 -0.04 1.49 1.27 2d21A6 ILE 60 HG13 0.02 0.01 -0.05 -0.04 1.21 1.14 2d21A6 ILE 60 HG23 -0.55 0.00 -0.21 -0.04 0.93 0.13 2d21A6 ILE 60 HD13 -0.86 -0.00 -0.16 -0.04 0.88 -0.18 2d21A6 PHE 61 H 0.42 0.28 0.18 -0.55 8.34 8.67 2d21A6 PHE 61 HA 0.22 0.32 1.08 -0.75 4.62 5.48 2d21A6 PHE 61 HB2 0.12 -0.05 0.20 -0.04 3.15 3.38 2d21A6 PHE 61 HB3 0.05 0.03 0.04 -0.04 3.06 3.14 2d21A6 PHE 61 HD2 0.06 0.04 -0.13 -0.04 7.28 7.21 2d21A6 PHE 61 HE2 0.01 -0.00 -0.10 -0.04 7.38 7.25 2d21A6 PHE 61 HZ -0.08 -0.00 -0.07 -0.04 7.32 7.12 2d21A6 TRP 62 H -0.03 0.58 0.24 -0.55 7.97 8.21 2d21A6 TRP 62 HA -0.10 0.08 0.51 -0.75 4.62 4.35 2d21A6 TRP 62 HB2 0.20 0.00 -0.31 -0.04 3.23 3.09 2d21A6 TRP 62 HB3 -0.01 0.08 -0.09 -0.04 3.23 3.17 2d21A6 TRP 62 HD1 -0.05 -0.00 0.08 -0.04 7.22 7.21 2d21A6 TRP 62 HE1 0.01 0.06 0.01 -0.04 10.20 10.24 2d21A6 TRP 62 HE3 0.08 0.20 0.09 -0.04 7.59 7.91 2d21A6 TRP 62 HZ2 0.02 0.05 -0.06 -0.04 7.44 7.41 2d21A6 TRP 62 HZ3 0.03 -0.06 -0.03 -0.04 7.13 7.02 2d21A6 TRP 62 HH2 0.01 -0.06 -0.01 -0.04 7.19 7.09 2d21A6 ALA 63 H -0.24 0.12 0.15 -0.55 8.40 7.88 2d21A6 ALA 63 HA -0.37 0.25 0.67 -0.75 4.34 4.13 2d21A6 ALA 63 HB3 -0.33 0.01 0.09 -0.04 1.41 1.14 2d21A6 HIS 64 H -0.81 0.32 0.21 -0.55 8.41 7.58 2d21A6 HIS 64 HA 0.03 0.08 0.25 -0.75 4.63 4.24 2d21A6 HIS 64 HB2 0.16 0.14 0.05 -0.04 3.26 3.57 2d21A6 HIS 64 HB3 0.06 0.10 0.05 -0.04 3.20 3.37 2d21A6 HIS 64 HD2 0.01 0.12 0.09 -0.04 6.97 7.14 2d21A6 HIS 64 HE1 -0.08 0.06 0.10 -0.04 7.75 7.79 2d21A6 ASP 65 H -0.16 0.02 -0.48 -0.55 8.40 7.23 2d21A6 ASP 65 HA 0.08 0.12 0.25 -0.75 4.63 4.32 2d21A6 ASP 65 HB2 0.03 -0.06 0.06 -0.04 2.71 2.70 2d21A6 ASP 65 HB3 -0.59 0.14 -0.04 -0.04 2.70 2.17 2d21A6 ARG 66 H 0.26 0.18 -0.06 -0.55 8.46 8.28 2d21A6 ARG 66 HA 0.06 0.12 0.43 -0.75 4.34 4.20 2d21A6 ARG 66 HB2 0.05 0.02 -0.06 -0.04 1.90 1.88 2d21A6 ARG 66 HB3 -0.30 0.02 -0.00 -0.04 1.80 1.47 2d21A6 ARG 66 HG2 0.14 -0.04 0.01 -0.04 1.67 1.74 2d21A6 ARG 66 HG3 -0.88 -0.03 -0.02 -0.04 1.67 0.70 2d21A6 ARG 66 HD2 -0.19 0.04 -0.01 -0.04 3.22 3.01 2d21A6 ARG 66 HD3 0.06 0.03 -0.08 -0.04 3.22 3.19 2d21A6 PHE 67 H 0.43 0.22 -0.71 -0.55 8.34 7.73 2d21A6 PHE 67 HA 0.19 -0.01 0.52 -0.75 4.62 4.56 2d21A6 PHE 67 HB2 0.18 0.10 -0.00 -0.04 3.15 3.39 2d21A6 PHE 67 HB3 0.10 0.01 -0.04 -0.04 3.06 3.08 2d21A6 PHE 67 HD2 0.16 -0.05 -0.32 -0.04 7.28 7.04 2d21A6 PHE 67 HE2 0.10 -0.05 -0.47 -0.04 7.38 6.92 2d21A6 PHE 67 HZ 0.01 0.11 -0.32 -0.04 7.32 7.07 2d21A6 GLY 68 H 0.43 0.46 -0.21 -0.55 8.43 8.56 2d21A6 GLY 68 HA2 0.46 0.06 0.23 -0.51 4.01 4.25 2d21A6 GLY 68 HA3 0.48 0.08 0.30 -0.51 4.01 4.36 2d21A6 GLY 69 H 0.10 0.06 -0.90 -0.55 8.43 7.15 2d21A6 GLY 69 HA2 0.14 0.13 0.74 -0.51 4.01 4.52 2d21A6 GLY 69 HA3 0.03 0.06 0.21 -0.51 4.01 3.81 2d21A6 TYR 70 H 0.04 0.25 0.05 -0.55 8.29 8.07 2d21A6 TYR 70 HA 0.03 0.09 0.43 -0.75 4.56 4.36 2d21A6 TYR 70 HB2 -0.10 0.04 0.06 -0.04 3.06 3.01 2d21A6 TYR 70 HB3 0.05 -0.04 -0.10 -0.04 2.98 2.84 2d21A6 TYR 70 HD2 -0.01 -0.03 -0.11 -0.04 7.15 6.96 2d21A6 TYR 70 HE2 0.01 -0.03 -0.10 -0.04 6.85 6.70 2d21A6 ALA 71 H -0.01 0.27 -0.17 -0.55 8.40 7.94 2d21A6 ALA 71 HA -0.01 -0.05 0.56 -0.75 4.34 4.09 2d21A6 ALA 71 HB3 -0.16 0.05 0.01 -0.04 1.41 1.27 2d21A6 GLN 72 H 0.09 0.07 -0.37 -0.55 8.47 7.71 2d21A6 GLN 72 HA 0.11 0.07 0.35 -0.75 4.36 4.13 2d21A6 GLN 72 HB2 0.16 -0.02 0.13 -0.04 2.15 2.38 2d21A6 GLN 72 HB3 0.08 0.07 0.08 -0.04 2.02 2.21 2d21A6 GLN 72 HG2 0.13 -0.01 0.05 -0.04 2.40 2.53 2d21A6 GLN 72 HG3 0.07 -0.01 0.04 -0.04 2.39 2.45 2d21A6 GLN 72 HE21 0.04 0.00 -0.06 -0.04 6.97 6.91 2d21A6 GLN 72 HE22 0.03 -0.01 -0.00 -0.04 7.69 7.67 2d21A6 SER 73 H 0.08 0.36 -0.19 -0.55 8.46 8.16 2d21A6 SER 73 HA 0.03 0.04 0.29 -0.75 4.49 4.10 2d21A6 SER 73 HB2 0.11 0.03 0.09 -0.04 3.95 4.14 2d21A6 SER 73 HB3 0.04 -0.01 0.10 -0.04 3.93 4.02 2d21A6 GLY 74 H 0.03 0.36 -0.93 -0.55 8.43 7.35 2d21A6 GLY 74 HA2 0.01 0.11 0.31 -0.51 4.01 3.92 2d21A6 GLY 74 HA3 -0.00 0.05 0.42 -0.51 4.01 3.96 2d21A6 LEU 75 H 0.01 0.42 -0.14 -0.55 8.37 8.12 2d21A6 LEU 75 HA -0.08 0.14 0.56 -0.75 4.35 4.22 2d21A6 LEU 75 HB2 -0.01 0.05 -0.04 -0.04 1.64 1.60 2d21A6 LEU 75 HB3 -0.18 -0.12 -0.05 -0.04 1.64 1.25 2d21A6 LEU 75 HG -0.12 0.15 -0.20 -0.04 1.64 1.43 2d21A6 LEU 75 HD13 -0.54 -0.02 -0.08 -0.04 0.93 0.25 2d21A6 LEU 75 HD23 -0.33 0.00 -0.19 -0.04 0.89 0.34 2d21A6 LEU 76 H -0.01 0.14 -0.14 -0.55 8.37 7.82 2d21A6 LEU 76 HA -0.05 0.23 0.89 -0.75 4.35 4.67 2d21A6 LEU 76 HB2 -0.07 -0.10 0.05 -0.04 1.64 1.49 2d21A6 LEU 76 HB3 -0.09 0.23 0.08 -0.04 1.64 1.81 2d21A6 LEU 76 HG -0.10 -0.11 -0.30 -0.04 1.64 1.08 2d21A6 LEU 76 HD13 -0.33 0.01 -0.07 -0.04 0.93 0.50 2d21A6 LEU 76 HD23 -0.36 0.00 -0.08 -0.04 0.89 0.41 2d21A6 ALA 77 H -0.03 0.55 0.24 -0.55 8.40 8.61 2d21A6 ALA 77 HA -0.00 0.12 0.54 -0.75 4.34 4.24 2d21A6 ALA 77 HB3 -0.00 -0.01 -0.23 -0.04 1.41 1.13 2d21A6 GLU 78 H 0.01 0.13 0.09 -0.55 8.60 8.29 2d21A6 GLU 78 HA 0.03 0.09 0.36 -0.75 4.29 4.02 2d21A6 GLU 78 HB2 0.02 0.01 0.14 -0.04 2.09 2.22 2d21A6 GLU 78 HB3 0.03 -0.03 0.14 -0.04 1.99 2.09 2d21A6 GLU 78 HG2 0.03 -0.04 0.00 -0.04 2.34 2.30 2d21A6 GLU 78 HG3 0.04 0.11 -0.06 -0.04 2.34 2.39 2d21A6 ILE 79 H 0.06 0.18 0.12 -0.55 8.25 8.06 2d21A6 ILE 79 HA 0.15 0.09 0.59 -0.75 4.18 4.25 2d21A6 ILE 79 HB 0.39 -0.10 -0.08 -0.04 1.89 2.06 2d21A6 ILE 79 HG12 0.05 0.07 -0.56 -0.04 1.49 1.01 2d21A6 ILE 79 HG13 0.06 -0.02 -0.25 -0.04 1.21 0.97 2d21A6 ILE 79 HG23 0.13 0.07 -0.12 -0.04 0.93 0.97 2d21A6 ILE 79 HD13 -0.18 -0.03 -0.31 -0.04 0.88 0.32 2d21A6 THR 80 H 0.35 0.07 -0.06 -0.55 8.28 8.09 2d21A6 THR 80 HA 0.50 0.00 0.26 -0.75 4.39 4.40 2d21A6 THR 80 HB 0.13 0.09 0.22 -0.04 4.32 4.72 2d21A6 THR 80 HG23 0.18 -0.02 -0.20 -0.04 1.22 1.13 2d21A6 PRO 81 HA 0.04 0.15 0.54 -0.51 4.44 4.66 2d21A6 PRO 81 HB2 -0.09 0.04 0.01 -0.04 2.28 2.20 2d21A6 PRO 81 HB3 -0.09 0.03 0.07 -0.04 2.02 1.99 2d21A6 PRO 81 HG2 -0.13 -0.05 0.15 -0.04 2.03 1.97 2d21A6 PRO 81 HG3 -0.49 0.10 0.07 -0.04 2.03 1.67 2d21A6 PRO 81 HD2 0.40 0.15 0.17 -0.04 3.68 4.36 2d21A6 PRO 81 HD3 0.22 0.06 0.15 -0.04 3.65 4.04 2d21A6 ASP 82 H 0.13 0.25 0.10 -0.55 8.40 8.33 2d21A6 ASP 82 HA 0.07 0.20 0.62 -0.75 4.63 4.77 2d21A6 ASP 82 HB2 0.05 -0.02 -0.03 -0.04 2.71 2.67 2d21A6 ASP 82 HB3 0.06 -0.14 0.01 -0.04 2.70 2.59 2d21A6 LYS 83 H 0.08 0.25 0.12 -0.55 8.42 8.31 2d21A6 LYS 83 HA 0.13 0.12 0.38 -0.75 4.32 4.20 2d21A6 LYS 83 HB2 0.05 0.09 0.11 -0.04 1.87 2.07 2d21A6 LYS 83 HB3 0.05 -0.00 0.14 -0.04 1.79 1.94 2d21A6 LYS 83 HG2 0.02 0.06 -0.00 -0.04 1.46 1.49 2d21A6 LYS 83 HG3 0.04 -0.01 -0.19 -0.04 1.46 1.26 2d21A6 LYS 83 HD2 0.04 -0.12 0.07 -0.04 1.69 1.64 2d21A6 LYS 83 HD3 0.01 0.04 0.05 -0.04 1.68 1.74 2d21A6 LYS 83 HE2 -0.05 0.04 -0.02 -0.04 2.99 2.92 2d21A6 LYS 83 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.95 2d21A6 ALA 84 H 0.09 0.10 -0.17 -0.55 8.40 7.87 2d21A6 ALA 84 HA 0.08 0.08 0.33 -0.75 4.34 4.07 2d21A6 ALA 84 HB3 0.07 0.03 0.03 -0.04 1.41 1.50 2d21A6 PHE 85 H 0.27 0.25 -0.49 -0.55 8.34 7.81 2d21A6 PHE 85 HA 0.02 0.08 0.45 -0.75 4.62 4.41 2d21A6 PHE 85 HB2 -0.01 -0.06 0.09 -0.04 3.15 3.13 2d21A6 PHE 85 HB3 0.10 0.10 0.10 -0.04 3.06 3.32 2d21A6 PHE 85 HD2 -0.26 -0.02 0.02 -0.04 7.28 6.98 2d21A6 PHE 85 HE2 -0.94 0.01 -0.02 -0.04 7.38 6.38 2d21A6 PHE 85 HZ -0.38 0.03 -0.06 -0.04 7.32 6.87 2d21A6 GLN 86 H 0.28 0.38 -0.12 -0.55 8.47 8.47 2d21A6 GLN 86 HA 0.69 0.07 0.44 -0.75 4.36 4.82 2d21A6 GLN 86 HB2 0.10 0.06 0.13 -0.04 2.15 2.40 2d21A6 GLN 86 HB3 0.05 0.01 0.04 -0.04 2.02 2.08 2d21A6 GLN 86 HG2 0.52 -0.01 0.00 -0.04 2.40 2.87 2d21A6 GLN 86 HG3 0.26 -0.02 0.11 -0.04 2.39 2.69 2d21A6 GLN 86 HE21 -0.84 0.02 -0.01 -0.04 6.97 6.09 2d21A6 GLN 86 HE22 -0.42 0.01 -0.02 -0.04 7.69 7.22 2d21A6 ASP 87 H 0.13 0.25 -0.13 -0.55 8.40 8.10 2d21A6 ASP 87 HA 0.07 0.08 0.37 -0.75 4.63 4.40 2d21A6 ASP 87 HB2 0.06 0.07 0.11 -0.04 2.71 2.90 2d21A6 ASP 87 HB3 0.03 -0.00 -0.01 -0.04 2.70 2.67 2d21A6 LYS 88 H 0.04 0.23 -0.50 -0.55 8.42 7.64 2d21A6 LYS 88 HA -0.05 -0.02 0.37 -0.75 4.32 3.87 2d21A6 LYS 88 HB2 -0.13 0.21 0.05 -0.04 1.87 1.96 2d21A6 LYS 88 HB3 -0.06 -0.18 0.16 -0.04 1.79 1.66 2d21A6 LYS 88 HG2 0.03 -0.03 0.03 -0.04 1.46 1.45 2d21A6 LYS 88 HG3 0.10 0.11 0.13 -0.04 1.46 1.76 2d21A6 LYS 88 HD2 0.11 -0.01 -0.01 -0.04 1.69 1.75 2d21A6 LYS 88 HD3 0.08 -0.02 0.05 -0.04 1.68 1.75 2d21A6 LYS 88 HE2 0.00 -0.08 0.05 -0.04 2.99 2.92 2d21A6 LYS 88 HE3 0.03 0.02 0.00 -0.04 2.99 2.99 2d21A6 LEU 89 H 0.03 0.47 -0.49 -0.55 8.37 7.84 2d21A6 LEU 89 HA -0.25 0.15 0.99 -0.75 4.35 4.49 2d21A6 LEU 89 HB2 -0.20 0.12 0.06 -0.04 1.64 1.57 2d21A6 LEU 89 HB3 -0.44 -0.06 -0.01 -0.04 1.64 1.09 2d21A6 LEU 89 HG -0.36 -0.02 -0.24 -0.04 1.64 0.99 2d21A6 LEU 89 HD13 -0.69 -0.01 -0.01 -0.04 0.93 0.18 2d21A6 LEU 89 HD23 -0.34 -0.01 -0.26 -0.04 0.89 0.24 2d21A6 TYR 90 H -0.19 0.34 0.25 -0.55 8.29 8.14 2d21A6 TYR 90 HA -0.09 0.14 0.43 -0.75 4.56 4.29 2d21A6 TYR 90 HB2 -0.67 -0.07 0.12 -0.04 3.06 2.40 2d21A6 TYR 90 HB3 -1.02 -0.11 0.05 -0.04 2.98 1.85 2d21A6 TYR 90 HD2 -0.06 -0.00 0.08 -0.04 7.15 7.13 2d21A6 TYR 90 HE2 0.05 0.06 -0.05 -0.04 6.85 6.87 2d21A6 PRO 91 HA 0.18 0.17 0.41 -0.51 4.44 4.69 2d21A6 PRO 91 HB2 0.07 0.03 0.01 -0.04 2.28 2.35 2d21A6 PRO 91 HB3 0.07 0.09 0.11 -0.04 2.02 2.26 2d21A6 PRO 91 HG2 0.20 -0.05 0.14 -0.04 2.03 2.28 2d21A6 PRO 91 HG3 0.12 0.11 0.10 -0.04 2.03 2.32 2d21A6 PRO 91 HD2 0.22 0.06 0.25 -0.04 3.68 4.17 2d21A6 PRO 91 HD3 0.13 0.25 0.24 -0.04 3.65 4.24 2d21A6 PHE 92 H 0.03 0.18 -0.01 -0.55 8.34 7.99 2d21A6 PHE 92 HA -0.04 0.10 0.37 -0.75 4.62 4.29 2d21A6 PHE 92 HB2 -0.10 0.09 0.00 -0.04 3.15 3.10 2d21A6 PHE 92 HB3 -0.10 0.02 0.08 -0.04 3.06 3.02 2d21A6 PHE 92 HD2 -0.06 0.02 -0.12 -0.04 7.28 7.09 2d21A6 PHE 92 HE2 -0.29 0.02 -0.06 -0.04 7.38 7.00 2d21A6 PHE 92 HZ -0.69 0.03 -0.06 -0.04 7.32 6.56 2d21A6 THR 93 H -0.93 0.07 -0.34 -0.55 8.28 6.53 2d21A6 THR 93 HA -0.00 0.08 0.28 -0.75 4.39 3.99 2d21A6 THR 93 HB -0.26 0.12 -0.08 -0.04 4.32 4.06 2d21A6 THR 93 HG23 -0.06 -0.02 -0.09 -0.04 1.22 1.02 2d21A6 TRP 94 H 0.09 0.25 -0.50 -0.55 7.97 7.26 2d21A6 TRP 94 HA -0.05 0.02 0.47 -0.75 4.62 4.32 2d21A6 TRP 94 HB2 -0.08 0.11 0.23 -0.04 3.23 3.46 2d21A6 TRP 94 HB3 -0.04 -0.02 0.02 -0.04 3.23 3.15 2d21A6 TRP 94 HD1 -0.08 0.17 -0.23 -0.04 7.22 7.04 2d21A6 TRP 94 HE1 -0.05 0.33 0.15 -0.04 10.20 10.59 2d21A6 TRP 94 HE3 -0.07 -0.05 0.05 -0.04 7.59 7.48 2d21A6 TRP 94 HZ2 0.11 -0.07 -0.01 -0.04 7.44 7.42 2d21A6 TRP 94 HZ3 -0.28 0.04 0.03 -0.04 7.13 6.89 2d21A6 TRP 94 HH2 -0.75 -0.04 -0.05 -0.04 7.19 6.31 2d21A6 ASP 95 H 0.18 0.50 -0.04 -0.55 8.40 8.50 2d21A6 ASP 95 HA 0.14 0.02 0.32 -0.75 4.63 4.36 2d21A6 ASP 95 HB2 0.05 0.06 0.12 -0.04 2.71 2.89 2d21A6 ASP 95 HB3 0.04 0.03 0.06 -0.04 2.70 2.79 2d21A6 ALA 96 H 0.10 0.18 -0.82 -0.55 8.40 7.31 2d21A6 ALA 96 HA -0.00 0.06 0.35 -0.75 4.34 3.99 2d21A6 ALA 96 HB3 0.07 -0.01 0.02 -0.04 1.41 1.45 2d21A6 VAL 97 H 0.14 0.36 -0.11 -0.55 8.24 8.08 2d21A6 VAL 97 HA 0.21 0.04 0.56 -0.75 4.13 4.18 2d21A6 VAL 97 HB 0.14 -0.12 -0.10 -0.04 2.12 2.01 2d21A6 VAL 97 HG13 0.04 -0.02 -0.26 -0.04 0.97 0.69 2d21A6 VAL 97 HG23 0.09 0.04 0.01 -0.04 0.95 1.04 2d21A6 ARG 98 H 0.21 0.16 -0.34 -0.55 8.46 7.93 2d21A6 ARG 98 HA 0.20 -0.08 0.33 -0.75 4.34 4.04 2d21A6 ARG 98 HB2 0.13 0.14 0.06 -0.04 1.90 2.19 2d21A6 ARG 98 HB3 0.11 0.08 0.00 -0.04 1.80 1.95 2d21A6 ARG 98 HG2 0.07 -0.01 -0.02 -0.04 1.67 1.67 2d21A6 ARG 98 HG3 0.21 0.11 -0.12 -0.04 1.67 1.83 2d21A6 ARG 98 HD2 0.01 -0.08 -0.10 -0.04 3.22 3.01 2d21A6 ARG 98 HD3 0.06 0.01 0.01 -0.04 3.22 3.25 2d21A6 TYR 99 H 0.22 0.23 0.13 -0.55 8.29 8.32 2d21A6 TYR 99 HA 0.09 0.15 0.67 -0.75 4.56 4.72 2d21A6 TYR 99 HB2 0.10 -0.05 -0.14 -0.04 3.06 2.94 2d21A6 TYR 99 HB3 0.06 0.17 -0.17 -0.04 2.98 3.00 2d21A6 TYR 99 HD2 0.10 0.12 -0.07 -0.04 7.15 7.25 2d21A6 TYR 99 HE2 0.09 0.01 -0.02 -0.04 6.85 6.89 2d21A6 ASN 100 H -0.39 0.12 0.05 -0.55 8.53 7.77 2d21A6 ASN 100 HA -0.05 0.03 0.46 -0.75 4.76 4.44 2d21A6 ASN 100 HB2 -0.11 -0.00 0.19 -0.04 2.88 2.91 2d21A6 ASN 100 HB3 -0.07 -0.00 0.05 -0.04 2.79 2.73 2d21A6 ASN 100 HD21 -0.13 0.02 -0.05 -0.04 7.03 6.83 2d21A6 ASN 100 HD22 -0.17 0.02 -0.00 -0.04 7.74 7.54 2d21A6 GLY 101 H 0.01 0.20 0.26 -0.55 8.43 8.36 2d21A6 GLY 101 HA2 0.00 -0.02 0.40 -0.51 4.01 3.88 2d21A6 GLY 101 HA3 0.01 -0.01 0.45 -0.51 4.01 3.95 2d21A6 LYS 102 H 0.05 0.33 0.26 -0.55 8.42 8.50 2d21A6 LYS 102 HA 0.02 0.03 0.45 -0.75 4.32 4.07 2d21A6 LYS 102 HB2 0.05 -0.01 0.15 -0.04 1.87 2.02 2d21A6 LYS 102 HB3 0.04 -0.04 0.12 -0.04 1.79 1.87 2d21A6 LYS 102 HG2 0.07 -0.04 0.03 -0.04 1.46 1.49 2d21A6 LYS 102 HG3 0.09 0.15 0.09 -0.04 1.46 1.75 2d21A6 LYS 102 HD2 0.20 -0.07 -0.49 -0.04 1.69 1.29 2d21A6 LYS 102 HD3 0.10 0.13 -0.07 -0.04 1.68 1.79 2d21A6 LYS 102 HE2 0.21 -0.01 -0.05 -0.04 2.99 3.11 2d21A6 LYS 102 HE3 0.27 -0.04 -0.12 -0.04 2.99 3.05 2d21A6 LEU 103 H 0.05 0.11 0.13 -0.55 8.37 8.10 2d21A6 LEU 103 HA 0.12 0.16 0.76 -0.75 4.35 4.63 2d21A6 LEU 103 HB2 0.04 0.05 -0.01 -0.04 1.64 1.67 2d21A6 LEU 103 HB3 0.08 -0.04 0.06 -0.04 1.64 1.70 2d21A6 LEU 103 HG -0.03 -0.01 -0.16 -0.04 1.64 1.40 2d21A6 LEU 103 HD13 -0.16 0.00 -0.06 -0.04 0.93 0.68 2d21A6 LEU 103 HD23 0.08 0.03 -0.06 -0.04 0.89 0.90 2d21A6 ILE 104 H 0.07 0.10 0.15 -0.55 8.25 8.02 2d21A6 ILE 104 HA -0.02 0.15 0.65 -0.75 4.18 4.21 2d21A6 ILE 104 HB -0.17 -0.07 0.03 -0.04 1.89 1.63 2d21A6 ILE 104 HG12 -0.10 0.08 -0.10 -0.04 1.49 1.33 2d21A6 ILE 104 HG13 0.02 0.01 -0.12 -0.04 1.21 1.07 2d21A6 ILE 104 HG23 -0.29 0.01 -0.28 -0.04 0.93 0.32 2d21A6 ILE 104 HD13 -0.44 -0.03 -0.14 -0.04 0.88 0.22 2d21A6 ALA 105 H 0.07 0.20 0.21 -0.55 8.40 8.33 2d21A6 ALA 105 HA 0.10 0.12 0.73 -0.75 4.34 4.53 2d21A6 ALA 105 HB3 0.29 0.04 -0.11 -0.04 1.41 1.58 2d21A6 TYR 106 H 0.19 0.62 0.35 -0.55 8.29 8.90 2d21A6 TYR 106 HA -0.34 0.18 0.85 -0.75 4.56 4.50 2d21A6 TYR 106 HB2 -0.00 -0.01 0.09 -0.04 3.06 3.10 2d21A6 TYR 106 HB3 -0.20 0.14 -0.02 -0.04 2.98 2.85 2d21A6 TYR 106 HD2 -0.32 0.03 -0.06 -0.04 7.15 6.77 2d21A6 TYR 106 HE2 0.15 -0.09 -0.10 -0.04 6.85 6.77 2d21A6 PRO 107 HA -0.06 0.12 0.52 -0.51 4.44 4.51 2d21A6 PRO 107 HB2 -0.15 -0.07 -0.10 -0.04 2.28 1.92 2d21A6 PRO 107 HB3 -0.16 0.17 0.02 -0.04 2.02 2.00 2d21A6 PRO 107 HG2 -0.45 -0.03 -0.03 -0.04 2.03 1.48 2d21A6 PRO 107 HG3 -0.66 0.06 -0.16 -0.04 2.03 1.23 2d21A6 PRO 107 HD2 -0.62 0.08 0.21 -0.04 3.68 3.31 2d21A6 PRO 107 HD3 -0.73 0.19 0.17 -0.04 3.65 3.24 2d21A6 ILE 108 H -0.02 0.67 0.38 -0.55 8.25 8.73 2d21A6 ILE 108 HA -0.00 0.11 0.83 -0.75 4.18 4.36 2d21A6 ILE 108 HB 0.08 0.05 -0.16 -0.04 1.89 1.81 2d21A6 ILE 108 HG12 0.08 0.03 -0.44 -0.04 1.49 1.12 2d21A6 ILE 108 HG13 0.32 -0.01 -0.30 -0.04 1.21 1.18 2d21A6 ILE 108 HG23 0.08 -0.01 -0.17 -0.04 0.93 0.79 2d21A6 ILE 108 HD13 0.11 0.02 -0.11 -0.04 0.88 0.86 2d21A6 ALA 109 H -0.00 0.37 0.33 -0.55 8.40 8.54 2d21A6 ALA 109 HA 0.02 0.07 0.82 -0.75 4.34 4.50 2d21A6 ALA 109 HB3 -0.00 0.07 -0.03 -0.04 1.41 1.40 2d21A6 VAL 110 H 0.03 0.73 -0.01 -0.55 8.24 8.45 2d21A6 VAL 110 HA 0.04 0.20 0.97 -0.75 4.13 4.59 2d21A6 VAL 110 HB 0.07 -0.09 -0.11 -0.04 2.12 1.94 2d21A6 VAL 110 HG13 0.10 0.03 -0.11 -0.04 0.97 0.96 2d21A6 VAL 110 HG23 0.08 -0.02 -0.37 -0.04 0.95 0.60 2d21A6 GLU 111 H 0.03 0.49 0.25 -0.55 8.60 8.82 2d21A6 GLU 111 HA 0.01 0.04 0.64 -0.75 4.29 4.23 2d21A6 GLU 111 HB2 -0.00 -0.10 -0.08 -0.04 2.09 1.87 2d21A6 GLU 111 HB3 0.01 0.20 -0.04 -0.04 1.99 2.11 2d21A6 GLU 111 HG2 0.00 0.04 0.04 -0.04 2.34 2.39 2d21A6 GLU 111 HG3 -0.01 0.07 -0.12 -0.04 2.34 2.24 2d21A6 ALA 112 H 0.01 0.11 0.14 -0.55 8.40 8.10 2d21A6 ALA 112 HA 0.03 0.07 0.74 -0.75 4.34 4.42 2d21A6 ALA 112 HB3 0.01 0.03 0.10 -0.04 1.41 1.50 2d21A6 LEU 113 H 0.01 0.25 0.11 -0.55 8.37 8.19 2d21A6 LEU 113 HA -0.09 0.03 0.38 -0.75 4.35 3.92 2d21A6 LEU 113 HB2 -0.05 -0.03 0.09 -0.04 1.64 1.60 2d21A6 LEU 113 HB3 -0.15 0.06 0.09 -0.04 1.64 1.60 2d21A6 LEU 113 HG 0.03 0.08 -0.09 -0.04 1.64 1.62 2d21A6 LEU 113 HD13 -0.03 -0.04 0.06 -0.04 0.93 0.88 2d21A6 LEU 113 HD23 -0.15 0.01 -0.01 -0.04 0.89 0.70 2d21A6 SER 114 H -0.23 0.15 0.20 -0.55 8.46 8.03 2d21A6 SER 114 HA -0.10 0.21 0.78 -0.75 4.49 4.62 2d21A6 SER 114 HB2 -0.07 -0.04 0.29 -0.04 3.95 4.08 2d21A6 SER 114 HB3 -0.04 0.04 0.08 -0.04 3.93 3.97 2d21A6 LEU 115 H -0.18 0.31 0.07 -0.55 8.37 8.02 2d21A6 LEU 115 HA -0.24 0.01 0.61 -0.75 4.35 3.97 2d21A6 LEU 115 HB2 -0.25 -0.02 0.24 -0.04 1.64 1.57 2d21A6 LEU 115 HB3 -0.41 0.05 0.10 -0.04 1.64 1.34 2d21A6 LEU 115 HG -0.64 -0.02 -0.23 -0.04 1.64 0.71 2d21A6 LEU 115 HD13 -0.25 -0.02 0.04 -0.04 0.93 0.67 2d21A6 LEU 115 HD23 -0.25 -0.03 -0.07 -0.04 0.89 0.50 2d21A6 ILE 116 H -0.22 0.47 0.26 -0.55 8.25 8.21 2d21A6 ILE 116 HA -0.11 0.10 0.93 -0.75 4.18 4.34 2d21A6 ILE 116 HB -0.12 -0.07 -0.07 -0.04 1.89 1.59 2d21A6 ILE 116 HG12 -0.01 -0.02 -0.09 -0.04 1.49 1.33 2d21A6 ILE 116 HG13 -0.20 0.06 -0.52 -0.04 1.21 0.51 2d21A6 ILE 116 HG23 0.09 0.01 -0.11 -0.04 0.93 0.88 2d21A6 ILE 116 HD13 -0.22 -0.04 -0.13 -0.04 0.88 0.45 2d21A6 TYR 117 H -0.10 0.11 0.10 -0.55 8.29 7.84 2d21A6 TYR 117 HA 0.07 0.07 0.82 -0.75 4.56 4.77 2d21A6 TYR 117 HB2 0.03 0.07 0.06 -0.04 3.06 3.18 2d21A6 TYR 117 HB3 0.02 0.13 0.26 -0.04 2.98 3.34 2d21A6 TYR 117 HD2 0.00 0.03 0.01 -0.04 7.15 7.15 2d21A6 TYR 117 HE2 -0.03 -0.05 -0.02 -0.04 6.85 6.71 2d21A6 ASN 118 H 0.14 0.38 0.17 -0.55 8.53 8.68 2d21A6 ASN 118 HA -0.13 0.14 0.57 -0.75 4.76 4.60 2d21A6 ASN 118 HB2 -0.09 0.23 0.10 -0.04 2.88 3.09 2d21A6 ASN 118 HB3 -0.09 -0.12 0.17 -0.04 2.79 2.71 2d21A6 ASN 118 HD21 -1.28 -0.06 -0.05 -0.04 7.03 5.60 2d21A6 ASN 118 HD22 -1.42 0.33 0.12 -0.04 7.74 6.73 2d21A6 LYS 119 H -0.16 0.19 0.14 -0.55 8.42 8.04 2d21A6 LYS 119 HA 0.01 0.08 0.49 -0.75 4.32 4.15 2d21A6 LYS 119 HB2 -0.02 -0.03 0.15 -0.04 1.87 1.93 2d21A6 LYS 119 HB3 -0.06 0.01 0.13 -0.04 1.79 1.82 2d21A6 LYS 119 HG2 -0.09 -0.00 -0.04 -0.04 1.46 1.28 2d21A6 LYS 119 HG3 -0.04 -0.03 -0.18 -0.04 1.46 1.16 2d21A6 LYS 119 HD2 -0.05 0.01 -0.01 -0.04 1.69 1.60 2d21A6 LYS 119 HD3 -0.04 -0.05 0.03 -0.04 1.68 1.57 2d21A6 LYS 119 HE2 -0.13 -0.06 0.06 -0.04 2.99 2.82 2d21A6 LYS 119 HE3 -0.17 0.00 0.03 -0.04 2.99 2.82 2d21A6 ASP 120 H -0.04 0.06 -0.61 -0.55 8.40 7.26 2d21A6 ASP 120 HA -0.03 0.09 0.75 -0.75 4.63 4.69 2d21A6 ASP 120 HB2 -0.04 0.05 0.04 -0.04 2.71 2.72 2d21A6 ASP 120 HB3 -0.04 0.06 0.07 -0.04 2.70 2.75 2d21A6 LEU 121 H -0.03 0.14 0.10 -0.55 8.37 8.03 2d21A6 LEU 121 HA -0.06 0.17 0.35 -0.75 4.35 4.06 2d21A6 LEU 121 HB2 -0.05 0.00 0.11 -0.04 1.64 1.67 2d21A6 LEU 121 HB3 -0.03 0.01 0.04 -0.04 1.64 1.62 2d21A6 LEU 121 HG -0.03 -0.03 0.06 -0.04 1.64 1.61 2d21A6 LEU 121 HD13 -0.03 0.00 -0.20 -0.04 0.93 0.66 2d21A6 LEU 121 HD23 -0.02 -0.00 0.01 -0.04 0.89 0.83 2d21A6 LEU 122 H -0.05 -0.03 -0.54 -0.55 8.37 7.20 2d21A6 LEU 122 HA -0.05 -0.02 0.31 -0.75 4.35 3.84 2d21A6 LEU 122 HB2 -0.03 -0.06 0.06 -0.04 1.64 1.57 2d21A6 LEU 122 HB3 -0.05 0.01 0.07 -0.04 1.64 1.64 2d21A6 LEU 122 HG -0.05 0.24 -0.17 -0.04 1.64 1.62 2d21A6 LEU 122 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.83 2d21A6 LEU 122 HD23 -0.01 -0.02 -0.00 -0.04 0.89 0.81 2d21A6 PRO 123 HA -0.12 0.11 0.48 -0.51 4.44 4.40 2d21A6 PRO 123 HB2 -0.05 -0.10 0.15 -0.04 2.28 2.24 2d21A6 PRO 123 HB3 -0.06 0.05 0.16 -0.04 2.02 2.12 2d21A6 PRO 123 HG2 -0.04 0.02 -0.05 -0.04 2.03 1.92 2d21A6 PRO 123 HG3 -0.04 -0.00 0.05 -0.04 2.03 2.00 2d21A6 PRO 123 HD2 -0.04 0.03 0.15 -0.04 3.68 3.78 2d21A6 PRO 123 HD3 -0.05 0.16 0.13 -0.04 3.65 3.85 2d21A6 ASN 124 H -0.07 0.05 0.12 -0.55 8.53 8.09 2d21A6 ASN 124 HA -0.04 -0.01 0.36 -0.75 4.76 4.32 2d21A6 ASN 124 HB2 -0.03 -0.08 -0.06 -0.04 2.88 2.67 2d21A6 ASN 124 HB3 -0.03 0.19 0.12 -0.04 2.79 3.02 2d21A6 ASN 124 HD21 -0.01 0.04 0.05 -0.04 7.03 7.06 2d21A6 ASN 124 HD22 -0.01 -0.09 -0.02 -0.04 7.74 7.58 2d21A6 PRO 125 HA -0.01 0.15 0.35 -0.51 4.44 4.42 2d21A6 PRO 125 HB2 0.11 0.09 0.01 -0.04 2.28 2.44 2d21A6 PRO 125 HB3 -0.13 0.03 0.05 -0.04 2.02 1.93 2d21A6 PRO 125 HG2 -0.01 0.04 -0.02 -0.04 2.03 2.00 2d21A6 PRO 125 HG3 -0.04 0.01 0.04 -0.04 2.03 2.01 2d21A6 PRO 125 HD2 -0.05 0.03 0.19 -0.04 3.68 3.81 2d21A6 PRO 125 HD3 -0.10 0.07 0.12 -0.04 3.65 3.69 2d21A6 PRO 126 HA -0.03 0.09 0.38 -0.51 4.44 4.37 2d21A6 PRO 126 HB2 -0.16 -0.09 -0.11 -0.04 2.28 1.89 2d21A6 PRO 126 HB3 -0.08 0.04 -0.00 -0.04 2.02 1.94 2d21A6 PRO 126 HG2 -0.07 0.02 -0.19 -0.04 2.03 1.75 2d21A6 PRO 126 HG3 -0.09 0.04 -0.06 -0.04 2.03 1.87 2d21A6 PRO 126 HD2 0.23 0.11 0.10 -0.04 3.68 4.07 2d21A6 PRO 126 HD3 0.13 0.19 0.09 -0.04 3.65 4.02 2d21A6 LYS 127 H -0.05 -0.03 0.16 -0.55 8.42 7.95 2d21A6 LYS 127 HA -0.03 0.23 0.74 -0.75 4.32 4.50 2d21A6 LYS 127 HB2 -0.02 -0.08 0.03 -0.04 1.87 1.76 2d21A6 LYS 127 HB3 -0.02 0.00 0.00 -0.04 1.79 1.73 2d21A6 LYS 127 HG2 -0.02 0.08 -0.19 -0.04 1.46 1.29 2d21A6 LYS 127 HG3 -0.02 0.07 -0.44 -0.04 1.46 1.03 2d21A6 LYS 127 HD2 -0.01 0.06 -0.08 -0.04 1.69 1.62 2d21A6 LYS 127 HD3 -0.01 -0.05 -0.06 -0.04 1.68 1.52 2d21A6 LYS 127 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.85 2d21A6 LYS 127 HE3 -0.01 0.03 -0.04 -0.04 2.99 2.92 2d21A6 THR 128 H -0.05 0.12 0.26 -0.55 8.28 8.05 2d21A6 THR 128 HA -0.01 -0.06 0.76 -0.75 4.39 4.32 2d21A6 THR 128 HB -0.01 0.24 -0.24 -0.04 4.32 4.27 2d21A6 THR 128 HG23 0.00 -0.06 -0.07 -0.04 1.22 1.06 2d21A6 TRP 129 H 0.30 0.91 0.30 -0.55 7.97 8.93 2d21A6 TRP 129 HA 0.14 0.07 0.46 -0.75 4.62 4.54 2d21A6 TRP 129 HB2 0.19 0.08 0.05 -0.04 3.23 3.50 2d21A6 TRP 129 HB3 0.38 0.02 0.01 -0.04 3.23 3.60 2d21A6 TRP 129 HD1 0.06 -0.02 -0.48 -0.04 7.22 6.74 2d21A6 TRP 129 HE1 -0.04 0.15 -0.17 -0.04 10.20 10.10 2d21A6 TRP 129 HE3 0.21 -0.05 0.05 -0.04 7.59 7.75 2d21A6 TRP 129 HZ2 -0.18 0.07 -0.10 -0.04 7.44 7.19 2d21A6 TRP 129 HZ3 0.21 -0.02 -0.07 -0.04 7.13 7.21 2d21A6 TRP 129 HH2 -0.55 -0.01 -0.12 -0.04 7.19 6.47 2d21A6 GLU 130 H 0.17 0.11 -0.20 -0.55 8.60 8.13 2d21A6 GLU 130 HA 0.27 0.13 0.39 -0.75 4.29 4.32 2d21A6 GLU 130 HB2 0.01 0.04 -0.09 -0.04 2.09 2.01 2d21A6 GLU 130 HB3 -0.04 0.08 0.06 -0.04 1.99 2.05 2d21A6 GLU 130 HG2 -0.02 -0.08 0.08 -0.04 2.34 2.28 2d21A6 GLU 130 HG3 -0.14 0.06 0.03 -0.04 2.34 2.25 2d21A6 GLU 131 H 0.11 0.19 -0.38 -0.55 8.60 7.97 2d21A6 GLU 131 HA 0.07 0.13 0.63 -0.75 4.29 4.37 2d21A6 GLU 131 HB2 0.02 0.05 0.05 -0.04 2.09 2.17 2d21A6 GLU 131 HB3 0.02 0.01 0.17 -0.04 1.99 2.15 2d21A6 GLU 131 HG2 0.00 0.03 -0.17 -0.04 2.34 2.17 2d21A6 GLU 131 HG3 0.02 0.02 0.05 -0.04 2.34 2.38 2d21A6 ILE 132 H 0.15 0.18 -0.21 -0.55 8.25 7.82 2d21A6 ILE 132 HA 0.04 0.04 0.39 -0.75 4.18 3.90 2d21A6 ILE 132 HB 0.36 0.24 0.18 -0.04 1.89 2.63 2d21A6 ILE 132 HG12 -0.14 0.04 0.12 -0.04 1.49 1.47 2d21A6 ILE 132 HG13 -0.63 0.01 0.01 -0.04 1.21 0.56 2d21A6 ILE 132 HG23 0.22 -0.01 -0.10 -0.04 0.93 1.00 2d21A6 ILE 132 HD13 -0.27 -0.01 -0.06 -0.04 0.88 0.51 2d21A6 PRO 133 HA 0.18 0.06 0.39 -0.51 4.44 4.55 2d21A6 PRO 133 HB2 0.18 0.07 -0.04 -0.04 2.28 2.45 2d21A6 PRO 133 HB3 0.37 -0.01 0.05 -0.04 2.02 2.39 2d21A6 PRO 133 HG2 0.26 0.14 -0.03 -0.04 2.03 2.36 2d21A6 PRO 133 HG3 0.38 0.03 0.03 -0.04 2.03 2.43 2d21A6 PRO 133 HD2 0.32 0.01 -0.34 -0.04 3.68 3.64 2d21A6 PRO 133 HD3 0.40 0.14 0.12 -0.04 3.65 4.27 2d21A6 ALA 134 H 0.11 0.16 -0.59 -0.55 8.40 7.53 2d21A6 ALA 134 HA 0.01 0.09 0.51 -0.75 4.34 4.19 2d21A6 ALA 134 HB3 0.04 0.04 0.14 -0.04 1.41 1.59 2d21A6 LEU 135 H 0.04 0.72 0.11 -0.55 8.37 8.69 2d21A6 LEU 135 HA 0.02 0.04 0.41 -0.75 4.35 4.06 2d21A6 LEU 135 HB2 0.02 -0.00 0.10 -0.04 1.64 1.72 2d21A6 LEU 135 HB3 0.03 0.06 0.13 -0.04 1.64 1.81 2d21A6 LEU 135 HG 0.02 -0.06 -0.11 -0.04 1.64 1.46 2d21A6 LEU 135 HD13 0.01 -0.00 0.05 -0.04 0.93 0.94 2d21A6 LEU 135 HD23 0.01 0.02 -0.05 -0.04 0.89 0.83 2d21A6 ASP 136 H 0.06 0.36 -0.43 -0.55 8.40 7.84 2d21A6 ASP 136 HA 0.05 -0.08 0.50 -0.75 4.63 4.35 2d21A6 ASP 136 HB2 0.10 0.03 0.16 -0.04 2.71 2.96 2d21A6 ASP 136 HB3 0.09 0.18 0.16 -0.04 2.70 3.08 2d21A6 LYS 137 H 0.02 0.44 -0.17 -0.55 8.42 8.14 2d21A6 LYS 137 HA 0.01 0.06 0.50 -0.75 4.32 4.13 2d21A6 LYS 137 HB2 -0.02 -0.02 0.08 -0.04 1.87 1.87 2d21A6 LYS 137 HB3 -0.04 0.01 0.12 -0.04 1.79 1.83 2d21A6 LYS 137 HG2 -0.04 0.16 0.28 -0.04 1.46 1.82 2d21A6 LYS 137 HG3 -0.01 0.08 0.07 -0.04 1.46 1.56 2d21A6 LYS 137 HD2 -0.08 -0.02 0.03 -0.04 1.69 1.58 2d21A6 LYS 137 HD3 -0.04 -0.06 0.04 -0.04 1.68 1.58 2d21A6 LYS 137 HE2 -0.02 0.01 -0.06 -0.04 2.99 2.88 2d21A6 LYS 137 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2d21A6 GLU 138 H 0.01 0.28 -0.34 -0.55 8.60 8.01 2d21A6 GLU 138 HA 0.00 0.06 0.49 -0.75 4.29 4.09 2d21A6 GLU 138 HB2 0.01 0.08 0.17 -0.04 2.09 2.31 2d21A6 GLU 138 HB3 0.00 -0.01 0.02 -0.04 1.99 1.96 2d21A6 GLU 138 HG2 0.00 0.20 0.03 -0.04 2.34 2.54 2d21A6 GLU 138 HG3 0.00 -0.05 -0.03 -0.04 2.34 2.23 2d21A6 LEU 139 H 0.02 0.58 -0.03 -0.55 8.37 8.39 2d21A6 LEU 139 HA 0.01 0.02 0.39 -0.75 4.35 4.01 2d21A6 LEU 139 HB2 0.02 -0.03 0.08 -0.04 1.64 1.68 2d21A6 LEU 139 HB3 0.01 0.07 0.04 -0.04 1.64 1.72 2d21A6 LEU 139 HG 0.01 0.09 0.07 -0.04 1.64 1.78 2d21A6 LEU 139 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.86 2d21A6 LEU 139 HD23 0.00 -0.01 -0.06 -0.04 0.89 0.78 2d21A6 LYS 140 H 0.02 0.42 -0.33 -0.55 8.42 7.98 2d21A6 LYS 140 HA 0.02 0.01 -0.07 -0.75 4.32 3.51 2d21A6 LYS 140 HB2 0.03 -0.08 -0.10 -0.04 1.87 1.67 2d21A6 LYS 140 HB3 0.02 0.02 0.07 -0.04 1.79 1.85 2d21A6 LYS 140 HG2 0.02 -0.04 -0.05 -0.04 1.46 1.35 2d21A6 LYS 140 HG3 0.01 0.03 -0.25 -0.04 1.46 1.22 2d21A6 LYS 140 HD2 0.02 -0.01 0.01 -0.04 1.69 1.66 2d21A6 LYS 140 HD3 0.02 0.19 0.05 -0.04 1.68 1.89 2d21A6 LYS 140 HE2 0.02 -0.06 0.10 -0.04 2.99 3.01 2d21A6 LYS 140 HE3 0.03 -0.04 -0.01 -0.04 2.99 2.92 2d21A6 ALA 141 H 0.01 0.42 -0.39 -0.55 8.40 7.89 2d21A6 ALA 141 HA 0.01 0.00 0.32 -0.75 4.34 3.91 2d21A6 ALA 141 HB3 0.00 0.01 0.13 -0.04 1.41 1.51 2d21A6 LYS 142 H 0.01 0.28 -0.53 -0.55 8.42 7.62 2d21A6 LYS 142 HA 0.00 0.10 0.77 -0.75 4.32 4.43 2d21A6 LYS 142 HB2 -0.00 -0.08 0.14 -0.04 1.87 1.89 2d21A6 LYS 142 HB3 0.00 -0.06 -0.03 -0.04 1.79 1.66 2d21A6 LYS 142 HG2 -0.00 -0.10 -0.03 -0.04 1.46 1.29 2d21A6 LYS 142 HG3 0.00 0.20 0.10 -0.04 1.46 1.72 2d21A6 LYS 142 HD2 0.00 -0.07 -0.02 -0.04 1.69 1.55 2d21A6 LYS 142 HD3 0.00 0.14 -0.30 -0.04 1.68 1.47 2d21A6 LYS 142 HE2 -0.00 -0.01 0.02 -0.04 2.99 2.96 2d21A6 LYS 142 HE3 -0.00 -0.06 -0.01 -0.04 2.99 2.88 2d21A6 GLY 143 H 0.01 0.31 -0.34 -0.55 8.43 7.86 2d21A6 GLY 143 HA2 0.00 -0.04 0.42 -0.51 4.01 3.88 2d21A6 GLY 143 HA3 0.00 -0.04 0.42 -0.51 4.01 3.88 2d21A6 LYS 144 H 0.01 0.23 0.10 -0.55 8.42 8.20 2d21A6 LYS 144 HA 0.02 0.13 0.73 -0.75 4.32 4.44 2d21A6 LYS 144 HB2 0.01 0.14 0.06 -0.04 1.87 2.04 2d21A6 LYS 144 HB3 0.02 -0.17 0.18 -0.04 1.79 1.78 2d21A6 LYS 144 HG2 0.01 0.15 -0.04 -0.04 1.46 1.54 2d21A6 LYS 144 HG3 0.01 -0.04 -0.29 -0.04 1.46 1.09 2d21A6 LYS 144 HD2 0.01 -0.06 0.02 -0.04 1.69 1.62 2d21A6 LYS 144 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2d21A6 LYS 144 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 2d21A6 LYS 144 HE3 0.01 0.09 0.01 -0.04 2.99 3.06 2d21A6 SER 145 H 0.03 0.06 0.11 -0.55 8.46 8.11 2d21A6 SER 145 HA 0.04 0.09 0.44 -0.75 4.49 4.31 2d21A6 SER 145 HB2 0.06 -0.00 -0.04 -0.04 3.95 3.93 2d21A6 SER 145 HB3 0.05 0.04 0.12 -0.04 3.93 4.10 2d21A6 ALA 146 H 0.06 0.03 0.20 -0.55 8.40 8.14 2d21A6 ALA 146 HA 0.05 0.16 0.65 -0.75 4.34 4.44 2d21A6 ALA 146 HB3 0.05 0.02 0.02 -0.04 1.41 1.46 2d21A6 LEU 147 H 0.10 0.06 0.13 -0.55 8.37 8.12 2d21A6 LEU 147 HA 0.13 0.32 0.75 -0.75 4.35 4.80 2d21A6 LEU 147 HB2 0.06 -0.00 -0.02 -0.04 1.64 1.63 2d21A6 LEU 147 HB3 0.20 -0.06 0.05 -0.04 1.64 1.79 2d21A6 LEU 147 HG 0.34 0.00 -0.31 -0.04 1.64 1.64 2d21A6 LEU 147 HD13 -0.04 0.06 -0.30 -0.04 0.93 0.61 2d21A6 LEU 147 HD23 0.04 -0.02 -0.13 -0.04 0.89 0.74 2d21A6 MET 148 H 0.21 0.53 0.24 -0.55 8.47 8.91 2d21A6 MET 148 HA 0.15 0.08 0.77 -0.75 4.52 4.76 2d21A6 MET 148 HB2 0.09 0.06 -0.29 -0.04 2.15 1.96 2d21A6 MET 148 HB3 0.12 0.06 0.02 -0.04 2.03 2.18 2d21A6 MET 148 HG2 0.02 -0.09 -0.14 -0.04 2.63 2.38 2d21A6 MET 148 HG3 0.01 -0.00 0.06 -0.04 2.56 2.59 2d21A6 MET 148 HE3 0.02 0.01 -0.06 -0.04 2.10 2.02 2d21A6 PHE 149 H -0.04 0.34 0.18 -0.55 8.34 8.28 2d21A6 PHE 149 HA -0.08 0.10 0.43 -0.75 4.62 4.32 2d21A6 PHE 149 HB2 0.16 -0.04 0.08 -0.04 3.15 3.31 2d21A6 PHE 149 HB3 0.16 0.11 -0.07 -0.04 3.06 3.22 2d21A6 PHE 149 HD2 0.18 -0.02 -0.40 -0.04 7.28 7.01 2d21A6 PHE 149 HE2 0.25 0.01 -0.22 -0.04 7.38 7.38 2d21A6 PHE 149 HZ 0.09 0.01 -0.13 -0.04 7.32 7.24 2d21A6 ASN 150 H -0.19 0.19 0.03 -0.55 8.53 8.02 2d21A6 ASN 150 HA -0.19 0.11 0.29 -0.75 4.76 4.21 2d21A6 ASN 150 HB2 -0.16 -0.06 0.11 -0.04 2.88 2.74 2d21A6 ASN 150 HB3 -0.24 -0.07 0.05 -0.04 2.79 2.49 2d21A6 ASN 150 HD21 -0.78 0.02 0.11 -0.04 7.03 6.34 2d21A6 ASN 150 HD22 -3.12 0.07 0.07 -0.04 7.74 4.72 2d21A6 LEU 151 H -0.30 0.58 0.31 -0.55 8.37 8.42 2d21A6 LEU 151 HA -0.27 0.07 0.46 -0.75 4.35 3.85 2d21A6 LEU 151 HB2 -0.32 0.13 0.14 -0.04 1.64 1.55 2d21A6 LEU 151 HB3 -0.20 0.04 0.00 -0.04 1.64 1.44 2d21A6 LEU 151 HG -1.48 -0.05 -0.15 -0.04 1.64 -0.08 2d21A6 LEU 151 HD13 -0.27 0.02 -0.18 -0.04 0.93 0.46 2d21A6 LEU 151 HD23 -0.11 -0.00 -0.03 -0.04 0.89 0.70 2d21A6 GLN 152 H -0.08 0.02 -0.19 -0.55 8.47 7.67 2d21A6 GLN 152 HA -0.00 0.14 0.36 -0.75 4.36 4.11 2d21A6 GLN 152 HB2 0.05 -0.14 0.04 -0.04 2.15 2.06 2d21A6 GLN 152 HB3 0.04 0.05 0.06 -0.04 2.02 2.13 2d21A6 GLN 152 HG2 -0.04 -0.02 0.06 -0.04 2.40 2.35 2d21A6 GLN 152 HG3 0.00 -0.03 -0.03 -0.04 2.39 2.29 2d21A6 GLN 152 HE21 -0.09 0.38 -0.36 -0.04 6.97 6.85 2d21A6 GLN 152 HE22 -0.07 0.58 -0.16 -0.04 7.69 8.00 2d21A6 GLU 153 H 0.09 0.10 -0.21 -0.55 8.60 8.03 2d21A6 GLU 153 HA 0.18 0.29 0.85 -0.75 4.29 4.86 2d21A6 GLU 153 HB2 0.35 -0.05 0.10 -0.04 2.09 2.45 2d21A6 GLU 153 HB3 0.41 0.05 0.02 -0.04 1.99 2.42 2d21A6 GLU 153 HG2 0.07 -0.03 0.06 -0.04 2.34 2.40 2d21A6 GLU 153 HG3 0.22 -0.12 -0.03 -0.04 2.34 2.37 2d21A6 PRO 154 HA 0.26 0.14 0.37 -0.51 4.44 4.70 2d21A6 PRO 154 HB2 0.42 0.03 -0.01 -0.04 2.28 2.67 2d21A6 PRO 154 HB3 0.20 0.08 -0.07 -0.04 2.02 2.19 2d21A6 PRO 154 HG2 0.57 -0.01 0.06 -0.04 2.03 2.61 2d21A6 PRO 154 HG3 0.25 0.11 0.02 -0.04 2.03 2.38 2d21A6 PRO 154 HD2 0.26 0.06 0.21 -0.04 3.68 4.17 2d21A6 PRO 154 HD3 0.17 0.25 0.18 -0.04 3.65 4.21 2d21A6 TYR 155 H 0.31 0.13 -0.16 -0.55 8.29 8.02 2d21A6 TYR 155 HA -0.41 0.11 0.39 -0.75 4.56 3.89 2d21A6 TYR 155 HB2 -0.52 0.01 0.11 -0.04 3.06 2.62 2d21A6 TYR 155 HB3 0.15 -0.02 0.05 -0.04 2.98 3.12 2d21A6 TYR 155 HD2 -1.28 -0.02 -0.09 -0.04 7.15 5.72 2d21A6 TYR 155 HE2 -0.18 -0.01 0.03 -0.04 6.85 6.64 2d21A6 PHE 156 H 0.56 0.12 -0.26 -0.55 8.34 8.21 2d21A6 PHE 156 HA 0.09 0.14 0.52 -0.75 4.62 4.61 2d21A6 PHE 156 HB2 0.32 0.14 0.06 -0.04 3.15 3.63 2d21A6 PHE 156 HB3 0.22 0.02 -0.09 -0.04 3.06 3.17 2d21A6 PHE 156 HD2 0.20 -0.07 -0.09 -0.04 7.28 7.28 2d21A6 PHE 156 HE2 0.03 0.14 0.04 -0.04 7.38 7.54 2d21A6 PHE 156 HZ 0.10 0.02 0.05 -0.04 7.32 7.45 2d21A6 THR 157 H 0.35 0.16 -0.18 -0.55 8.28 8.06 2d21A6 THR 157 HA 0.06 0.10 0.51 -0.75 4.39 4.31 2d21A6 THR 157 HB 0.04 -0.05 0.06 -0.04 4.32 4.33 2d21A6 THR 157 HG23 0.27 0.03 -0.04 -0.04 1.22 1.44 2d21A6 TRP 158 H 0.39 0.34 -0.37 -0.55 7.97 7.78 2d21A6 TRP 158 HA 0.11 -0.06 0.26 -0.75 4.62 4.17 2d21A6 TRP 158 HB2 0.44 0.04 0.09 -0.04 3.23 3.76 2d21A6 TRP 158 HB3 0.04 0.19 0.11 -0.04 3.23 3.53 2d21A6 TRP 158 HD1 -0.02 0.00 -0.01 -0.04 7.22 7.15 2d21A6 TRP 158 HE1 0.40 0.05 -0.06 -0.04 10.20 10.56 2d21A6 TRP 158 HE3 0.13 -0.02 -0.03 -0.04 7.59 7.63 2d21A6 TRP 158 HZ2 0.18 -0.11 -0.17 -0.04 7.44 7.30 2d21A6 TRP 158 HZ3 -0.00 -0.03 -0.11 -0.04 7.13 6.94 2d21A6 TRP 158 HH2 0.07 -0.03 -0.54 -0.04 7.19 6.65 2d21A6 PRO 159 HA -0.48 0.14 0.17 -0.51 4.44 3.76 2d21A6 PRO 159 HB2 -0.03 0.05 -0.10 -0.04 2.28 2.16 2d21A6 PRO 159 HB3 -0.10 -0.02 -0.00 -0.04 2.02 1.86 2d21A6 PRO 159 HG2 -0.01 0.11 -0.07 -0.04 2.03 2.02 2d21A6 PRO 159 HG3 -0.08 -0.00 0.02 -0.04 2.03 1.92 2d21A6 PRO 159 HD2 0.06 0.17 -0.36 -0.04 3.68 3.51 2d21A6 PRO 159 HD3 0.06 0.10 0.07 -0.04 3.65 3.84 2d21A6 LEU 160 H -0.21 0.46 -0.59 -0.55 8.37 7.49 2d21A6 LEU 160 HA -0.29 0.05 0.52 -0.75 4.35 3.87 2d21A6 LEU 160 HB2 -0.91 -0.01 0.07 -0.04 1.64 0.75 2d21A6 LEU 160 HB3 -0.38 0.18 0.20 -0.04 1.64 1.59 2d21A6 LEU 160 HG -0.45 0.03 -0.22 -0.04 1.64 0.96 2d21A6 LEU 160 HD13 -0.91 -0.03 -0.02 -0.04 0.93 -0.07 2d21A6 LEU 160 HD23 -0.44 -0.01 0.02 -0.04 0.89 0.42 2d21A6 ILE 161 H -0.27 0.34 0.05 -0.55 8.25 7.82 2d21A6 ILE 161 HA -0.33 -0.00 0.41 -0.75 4.18 3.50 2d21A6 ILE 161 HB -0.15 0.05 0.19 -0.04 1.89 1.94 2d21A6 ILE 161 HG12 -0.06 0.18 0.08 -0.04 1.49 1.65 2d21A6 ILE 161 HG13 -0.18 -0.02 -0.18 -0.04 1.21 0.79 2d21A6 ILE 161 HG23 -0.15 0.03 -0.16 -0.04 0.93 0.60 2d21A6 ILE 161 HD13 0.20 -0.02 -0.03 -0.04 0.88 0.98 2d21A6 ALA 162 H -0.58 0.42 -0.31 -0.55 8.40 7.38 2d21A6 ALA 162 HA -0.49 -0.07 0.52 -0.75 4.34 3.54 2d21A6 ALA 162 HB3 -1.08 0.03 -0.01 -0.04 1.41 0.31 2d21A6 ALA 163 H -0.22 0.30 -0.55 -0.55 8.40 7.39 2d21A6 ALA 163 HA -0.04 0.11 0.36 -0.75 4.34 4.01 2d21A6 ALA 163 HB3 0.05 0.02 -0.01 -0.04 1.41 1.43 2d21A6 ASP 164 H -0.04 0.09 -0.18 -0.55 8.40 7.72 2d21A6 ASP 164 HA 0.08 0.09 0.37 -0.75 4.63 4.41 2d21A6 ASP 164 HB2 0.18 -0.01 0.06 -0.04 2.71 2.91 2d21A6 ASP 164 HB3 -0.00 -0.01 0.10 -0.04 2.70 2.75 2d21A6 GLY 165 H -0.03 0.01 -0.17 -0.55 8.43 7.69 2d21A6 GLY 165 HA2 0.06 0.26 0.33 -0.51 4.01 4.14 2d21A6 GLY 165 HA3 0.07 -0.08 0.25 -0.51 4.01 3.74 2d21A6 GLY 166 H -0.08 0.17 0.12 -0.55 8.43 8.09 2d21A6 GLY 166 HA2 0.06 0.14 0.77 -0.51 4.01 4.47 2d21A6 GLY 166 HA3 -0.07 -0.05 0.24 -0.51 4.01 3.63 2d21A6 TYR 167 H 0.05 0.42 0.24 -0.55 8.29 8.45 2d21A6 TYR 167 HA 0.53 0.19 0.73 -0.75 4.56 5.26 2d21A6 TYR 167 HB2 0.18 0.17 -0.05 -0.04 3.06 3.32 2d21A6 TYR 167 HB3 0.13 0.15 -0.21 -0.04 2.98 3.01 2d21A6 TYR 167 HD2 0.08 0.16 -0.34 -0.04 7.15 7.01 2d21A6 TYR 167 HE2 0.05 0.09 -0.13 -0.04 6.85 6.81 2d21A6 ALA 168 H 0.60 0.32 0.02 -0.55 8.40 8.80 2d21A6 ALA 168 HA -0.43 -0.02 0.68 -0.75 4.34 3.81 2d21A6 ALA 168 HB3 -0.61 0.01 0.08 -0.04 1.41 0.85 2d21A6 PHE 169 H -0.28 0.13 -0.05 -0.55 8.34 7.59 2d21A6 PHE 169 HA 0.12 0.14 0.27 -0.75 4.62 4.39 2d21A6 PHE 169 HB2 0.07 0.16 0.02 -0.04 3.15 3.36 2d21A6 PHE 169 HB3 -0.17 -0.05 -0.02 -0.04 3.06 2.78 2d21A6 PHE 169 HD2 -0.18 0.13 -0.21 -0.04 7.28 6.98 2d21A6 PHE 169 HE2 -0.31 0.09 -0.10 -0.04 7.38 7.01 2d21A6 PHE 169 HZ -0.08 0.08 -0.20 -0.04 7.32 7.08 2d21A6 LYS 170 H 0.29 0.16 0.09 -0.55 8.42 8.40 2d21A6 LYS 170 HA 0.20 0.31 0.84 -0.75 4.32 4.91 2d21A6 LYS 170 HB2 0.04 0.04 -0.13 -0.04 1.87 1.78 2d21A6 LYS 170 HB3 0.13 -0.07 0.04 -0.04 1.79 1.85 2d21A6 LYS 170 HG2 -0.08 -0.04 -0.06 -0.04 1.46 1.24 2d21A6 LYS 170 HG3 0.06 -0.05 -0.23 -0.04 1.46 1.20 2d21A6 LYS 170 HD2 -0.10 0.01 0.02 -0.04 1.69 1.58 2d21A6 LYS 170 HD3 0.01 0.01 0.14 -0.04 1.68 1.79 2d21A6 LYS 170 HE2 -0.35 -0.01 -0.08 -0.04 2.99 2.50 2d21A6 LYS 170 HE3 -0.65 -0.09 -0.04 -0.04 2.99 2.17 2d21A6 TYR 171 H 0.23 0.43 0.12 -0.55 8.29 8.52 2d21A6 TYR 171 HA 0.22 0.15 0.95 -0.75 4.56 5.13 2d21A6 TYR 171 HB2 -0.01 0.02 -0.12 -0.04 3.06 2.91 2d21A6 TYR 171 HB3 -0.07 0.10 0.11 -0.04 2.98 3.08 2d21A6 TYR 171 HD2 -0.43 0.03 -0.12 -0.04 7.15 6.60 2d21A6 TYR 171 HE2 -0.32 -0.03 -0.19 -0.04 6.85 6.27 2d21A6 GLU 172 H 0.27 0.73 0.22 -0.55 8.60 9.27 2d21A6 GLU 172 HA 0.06 0.20 0.68 -0.75 4.29 4.49 2d21A6 GLU 172 HB2 0.10 -0.03 0.14 -0.04 2.09 2.25 2d21A6 GLU 172 HB3 0.06 0.02 0.19 -0.04 1.99 2.22 2d21A6 GLU 172 HG2 0.05 0.06 -0.09 -0.04 2.34 2.32 2d21A6 GLU 172 HG3 0.08 -0.02 -0.08 -0.04 2.34 2.28 2d21A6 ASN 173 H 0.06 0.21 -0.47 -0.55 8.53 7.78 2d21A6 ASN 173 HA -0.12 -0.02 0.32 -0.75 4.76 4.19 2d21A6 ASN 173 HB2 0.02 0.15 -0.02 -0.04 2.88 2.99 2d21A6 ASN 173 HB3 0.02 -0.02 0.13 -0.04 2.79 2.87 2d21A6 ASN 173 HD21 -0.06 -0.03 -0.09 -0.04 7.03 6.81 2d21A6 ASN 173 HD22 -0.16 0.08 0.03 -0.04 7.74 7.65 2d21A6 GLY 174 H 0.09 0.10 -0.05 -0.55 8.43 8.03 2d21A6 GLY 174 HA2 0.17 0.01 0.28 -0.51 4.01 3.96 2d21A6 GLY 174 HA3 0.10 0.21 0.59 -0.51 4.01 4.40 2d21A6 LYS 175 H 0.24 0.15 -0.62 -0.55 8.42 7.64 2d21A6 LYS 175 HA 0.08 0.16 0.82 -0.75 4.32 4.63 2d21A6 LYS 175 HB2 0.09 0.02 0.01 -0.04 1.87 1.96 2d21A6 LYS 175 HB3 0.06 -0.01 -0.07 -0.04 1.79 1.74 2d21A6 LYS 175 HG2 0.05 -0.00 -0.04 -0.04 1.46 1.42 2d21A6 LYS 175 HG3 0.05 0.04 -0.04 -0.04 1.46 1.47 2d21A6 LYS 175 HD2 0.05 -0.01 -0.09 -0.04 1.69 1.60 2d21A6 LYS 175 HD3 0.08 -0.09 -0.51 -0.04 1.68 1.12 2d21A6 LYS 175 HE2 0.09 0.00 -0.13 -0.04 2.99 2.91 2d21A6 LYS 175 HE3 0.05 -0.07 -0.01 -0.04 2.99 2.92 2d21A6 TYR 176 H 0.01 0.30 0.07 -0.55 8.29 8.11 2d21A6 TYR 176 HA -0.29 0.23 0.92 -0.75 4.56 4.66 2d21A6 TYR 176 HB2 -1.43 -0.03 -0.17 -0.04 3.06 1.39 2d21A6 TYR 176 HB3 -0.45 0.02 0.11 -0.04 2.98 2.62 2d21A6 TYR 176 HD2 -0.36 0.11 -0.03 -0.04 7.15 6.83 2d21A6 TYR 176 HE2 -0.07 0.03 -0.22 -0.04 6.85 6.55 2d21A6 ASP 177 H -0.04 0.43 0.10 -0.55 8.40 8.35 2d21A6 ASP 177 HA -0.12 0.18 0.91 -0.75 4.63 4.84 2d21A6 ASP 177 HB2 0.00 0.02 0.23 -0.04 2.71 2.92 2d21A6 ASP 177 HB3 -0.03 -0.03 0.11 -0.04 2.70 2.71 2d21A6 ILE 178 H -0.32 0.27 -0.04 -0.55 8.25 7.62 2d21A6 ILE 178 HA -0.15 0.05 0.26 -0.75 4.18 3.58 2d21A6 ILE 178 HB -0.36 0.03 0.07 -0.04 1.89 1.60 2d21A6 ILE 178 HG12 -0.12 0.09 -0.23 -0.04 1.49 1.19 2d21A6 ILE 178 HG13 -0.19 0.02 -0.03 -0.04 1.21 0.97 2d21A6 ILE 178 HG23 -0.87 -0.00 -0.02 -0.04 0.93 -0.01 2d21A6 ILE 178 HD13 -0.18 -0.01 0.04 -0.04 0.88 0.69 2d21A6 LYS 179 H -0.04 -0.02 -0.92 -0.55 8.42 6.89 2d21A6 LYS 179 HA 0.02 0.18 0.65 -0.75 4.32 4.42 2d21A6 LYS 179 HB2 -0.02 -0.00 0.05 -0.04 1.87 1.86 2d21A6 LYS 179 HB3 0.00 -0.02 -0.00 -0.04 1.79 1.73 2d21A6 LYS 179 HG2 -0.00 -0.01 0.00 -0.04 1.46 1.40 2d21A6 LYS 179 HG3 0.01 -0.02 -0.07 -0.04 1.46 1.34 2d21A6 LYS 179 HD2 -0.00 -0.04 0.06 -0.04 1.69 1.66 2d21A6 LYS 179 HD3 -0.00 0.02 0.18 -0.04 1.68 1.84 2d21A6 LYS 179 HE2 -0.02 -0.04 0.05 -0.04 2.99 2.94 2d21A6 LYS 179 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.91 2d21A6 ASP 180 H 0.05 0.45 -0.05 -0.55 8.40 8.29 2d21A6 ASP 180 HA 0.06 0.11 0.64 -0.75 4.63 4.69 2d21A6 ASP 180 HB2 0.07 -0.04 0.12 -0.04 2.71 2.82 2d21A6 ASP 180 HB3 0.12 0.04 0.24 -0.04 2.70 3.07 2d21A6 VAL 181 H -0.01 0.48 -0.07 -0.55 8.24 8.08 2d21A6 VAL 181 HA -0.19 0.03 0.65 -0.75 4.13 3.87 2d21A6 VAL 181 HB -0.12 -0.01 0.07 -0.04 2.12 2.02 2d21A6 VAL 181 HG13 -0.31 -0.08 0.07 -0.04 0.97 0.61 2d21A6 VAL 181 HG23 0.01 0.04 -0.09 -0.04 0.95 0.87 2d21A6 GLY 182 H -0.46 0.35 0.21 -0.55 8.43 7.97 2d21A6 GLY 182 HA2 -0.54 0.15 0.84 -0.51 4.01 3.95 2d21A6 GLY 182 HA3 -1.62 0.10 0.41 -0.51 4.01 2.39 2d21A6 VAL 183 H -0.23 0.15 0.01 -0.55 8.24 7.63 2d21A6 VAL 183 HA 0.02 0.19 0.88 -0.75 4.13 4.47 2d21A6 VAL 183 HB -0.27 0.02 0.02 -0.04 2.12 1.86 2d21A6 VAL 183 HG13 -0.19 0.01 0.00 -0.04 0.97 0.74 2d21A6 VAL 183 HG23 -0.53 0.01 -0.05 -0.04 0.95 0.34 2d21A6 ASP 184 H -0.12 0.12 -0.01 -0.55 8.40 7.83 2d21A6 ASP 184 HA -0.06 0.14 0.57 -0.75 4.63 4.53 2d21A6 ASP 184 HB2 -0.08 0.04 -0.05 -0.04 2.71 2.58 2d21A6 ASP 184 HB3 -0.07 0.04 0.02 -0.04 2.70 2.64 2d21A6 ASN 185 H -0.07 0.04 -0.73 -0.55 8.53 7.22 2d21A6 ASN 185 HA -0.02 0.11 0.36 -0.75 4.76 4.46 2d21A6 ASN 185 HB2 -0.01 -0.03 -0.10 -0.04 2.88 2.70 2d21A6 ASN 185 HB3 0.02 -0.04 -0.04 -0.04 2.79 2.69 2d21A6 ASN 185 HD21 0.11 0.58 0.21 -0.04 7.03 7.88 2d21A6 ASN 185 HD22 -0.07 -0.01 0.11 -0.04 7.74 7.72 2d21A6 ALA 186 H 0.01 0.23 0.13 -0.55 8.40 8.22 2d21A6 ALA 186 HA 0.00 0.08 0.27 -0.75 4.34 3.94 2d21A6 ALA 186 HB3 0.02 0.04 0.09 -0.04 1.41 1.52 2d21A6 GLY 187 H 0.02 0.11 -0.44 -0.55 8.43 7.56 2d21A6 GLY 187 HA2 0.03 0.11 0.35 -0.51 4.01 3.99 2d21A6 GLY 187 HA3 0.01 0.09 0.08 -0.51 4.01 3.69 2d21A6 ALA 188 H -0.02 0.19 -0.31 -0.55 8.40 7.72 2d21A6 ALA 188 HA -0.08 0.12 0.45 -0.75 4.34 4.07 2d21A6 ALA 188 HB3 0.01 0.03 0.06 -0.04 1.41 1.48 2d21A6 LYS 189 H -0.02 0.43 -0.23 -0.55 8.42 8.05 2d21A6 LYS 189 HA -0.03 0.00 0.35 -0.75 4.32 3.88 2d21A6 LYS 189 HB2 -0.01 -0.08 -0.01 -0.04 1.87 1.73 2d21A6 LYS 189 HB3 -0.02 0.01 -0.02 -0.04 1.79 1.72 2d21A6 LYS 189 HG2 -0.01 0.10 -0.01 -0.04 1.46 1.49 2d21A6 LYS 189 HG3 0.00 0.07 0.02 -0.04 1.46 1.50 2d21A6 LYS 189 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 2d21A6 LYS 189 HD3 -0.01 -0.09 -0.03 -0.04 1.68 1.51 2d21A6 LYS 189 HE2 -0.02 -0.09 -0.11 -0.04 2.99 2.73 2d21A6 LYS 189 HE3 -0.02 0.18 -0.47 -0.04 2.99 2.64 2d21A6 ALA 190 H -0.01 0.47 -0.23 -0.55 8.40 8.08 2d21A6 ALA 190 HA 0.05 -0.01 0.35 -0.75 4.34 3.98 2d21A6 ALA 190 HB3 0.11 0.04 0.12 -0.04 1.41 1.64 2d21A6 GLY 191 H -0.18 0.64 -0.11 -0.55 8.43 8.24 2d21A6 GLY 191 HA2 -1.24 0.01 0.43 -0.51 4.01 2.71 2d21A6 GLY 191 HA3 -0.54 0.07 0.33 -0.51 4.01 3.36 2d21A6 LEU 192 H -0.13 0.51 -0.20 -0.55 8.37 8.01 2d21A6 LEU 192 HA -0.11 0.04 0.55 -0.75 4.35 4.08 2d21A6 LEU 192 HB2 -0.06 0.10 0.07 -0.04 1.64 1.71 2d21A6 LEU 192 HB3 -0.05 0.01 0.09 -0.04 1.64 1.65 2d21A6 LEU 192 HG -0.04 -0.04 -0.12 -0.04 1.64 1.40 2d21A6 LEU 192 HD13 -0.04 -0.01 0.02 -0.04 0.93 0.86 2d21A6 LEU 192 HD23 -0.02 -0.01 -0.10 -0.04 0.89 0.73 2d21A6 THR 193 H -0.02 0.70 0.03 -0.55 8.28 8.44 2d21A6 THR 193 HA -0.01 -0.00 0.41 -0.75 4.39 4.03 2d21A6 THR 193 HB 0.01 0.06 0.15 -0.04 4.32 4.51 2d21A6 THR 193 HG23 0.09 0.06 0.01 -0.04 1.22 1.34 2d21A6 PHE 194 H 0.13 0.30 -0.40 -0.55 8.34 7.82 2d21A6 PHE 194 HA 0.06 0.04 0.33 -0.75 4.62 4.29 2d21A6 PHE 194 HB2 0.21 0.04 0.10 -0.04 3.15 3.47 2d21A6 PHE 194 HB3 -0.08 0.19 0.10 -0.04 3.06 3.23 2d21A6 PHE 194 HD2 0.08 0.04 -0.00 -0.04 7.28 7.35 2d21A6 PHE 194 HE2 0.23 0.03 -0.10 -0.04 7.38 7.49 2d21A6 PHE 194 HZ 0.22 0.06 -0.02 -0.04 7.32 7.55 2d21A6 LEU 195 H -0.08 0.30 -0.17 -0.55 8.37 7.87 2d21A6 LEU 195 HA -0.38 0.00 0.41 -0.75 4.35 3.63 2d21A6 LEU 195 HB2 -0.19 -0.00 0.14 -0.04 1.64 1.55 2d21A6 LEU 195 HB3 -0.12 0.16 0.20 -0.04 1.64 1.84 2d21A6 LEU 195 HG -0.13 -0.07 0.01 -0.04 1.64 1.41 2d21A6 LEU 195 HD13 -0.08 0.00 0.00 -0.04 0.93 0.81 2d21A6 LEU 195 HD23 -0.07 0.01 -0.15 -0.04 0.89 0.64 2d21A6 VAL 196 H -0.10 0.45 -0.16 -0.55 8.24 7.88 2d21A6 VAL 196 HA -0.09 0.02 0.41 -0.75 4.13 3.71 2d21A6 VAL 196 HB -0.04 0.09 0.12 -0.04 2.12 2.25 2d21A6 VAL 196 HG13 -0.04 -0.00 -0.08 -0.04 0.97 0.81 2d21A6 VAL 196 HG23 -0.05 0.02 -0.02 -0.04 0.95 0.86 2d21A6 ASP 197 H -0.11 0.44 -0.33 -0.55 8.40 7.85 2d21A6 ASP 197 HA -0.03 0.02 0.38 -0.75 4.63 4.24 2d21A6 ASP 197 HB2 0.03 0.07 0.17 -0.04 2.71 2.93 2d21A6 ASP 197 HB3 -0.06 0.05 0.11 -0.04 2.70 2.76 2d21A6 LEU 198 H -0.27 0.41 -0.15 -0.55 8.37 7.81 2d21A6 LEU 198 HA -0.42 0.07 0.46 -0.75 4.35 3.70 2d21A6 LEU 198 HB2 -0.32 0.06 0.12 -0.04 1.64 1.46 2d21A6 LEU 198 HB3 -0.70 -0.08 0.07 -0.04 1.64 0.89 2d21A6 LEU 198 HG -0.55 0.24 0.15 -0.04 1.64 1.43 2d21A6 LEU 198 HD13 -0.17 -0.02 0.01 -0.04 0.93 0.71 2d21A6 LEU 198 HD23 -0.06 -0.02 -0.03 -0.04 0.89 0.74 2d21A6 ILE 199 H -0.20 0.39 -0.09 -0.55 8.25 7.80 2d21A6 ILE 199 HA -0.15 -0.04 0.37 -0.75 4.18 3.61 2d21A6 ILE 199 HB -0.10 0.13 0.16 -0.04 1.89 2.04 2d21A6 ILE 199 HG12 -0.11 -0.10 0.01 -0.04 1.49 1.25 2d21A6 ILE 199 HG13 -0.15 0.12 0.09 -0.04 1.21 1.23 2d21A6 ILE 199 HG23 -0.07 0.01 -0.02 -0.04 0.93 0.81 2d21A6 ILE 199 HD13 -0.09 -0.02 -0.06 -0.04 0.88 0.68 2d21A6 LYS 200 H -0.09 0.54 -0.17 -0.55 8.42 8.14 2d21A6 LYS 200 HA -0.04 0.06 0.41 -0.75 4.32 3.99 2d21A6 LYS 200 HB2 -0.04 0.14 0.21 -0.04 1.87 2.14 2d21A6 LYS 200 HB3 -0.01 -0.05 0.01 -0.04 1.79 1.69 2d21A6 LYS 200 HG2 -0.02 -0.03 0.05 -0.04 1.46 1.42 2d21A6 LYS 200 HG3 -0.04 0.08 0.06 -0.04 1.46 1.52 2d21A6 LYS 200 HD2 -0.01 -0.06 -0.03 -0.04 1.69 1.54 2d21A6 LYS 200 HD3 -0.02 -0.02 -0.18 -0.04 1.68 1.41 2d21A6 LYS 200 HE2 0.00 0.07 0.03 -0.04 2.99 3.05 2d21A6 LYS 200 HE3 0.00 -0.02 0.00 -0.04 2.99 2.93 2d21A6 ASN 201 H -0.07 0.32 -0.29 -0.55 8.53 7.94 2d21A6 ASN 201 HA 0.02 0.06 0.47 -0.75 4.76 4.56 2d21A6 ASN 201 HB2 0.05 0.08 0.19 -0.04 2.88 3.15 2d21A6 ASN 201 HB3 0.17 -0.06 0.18 -0.04 2.79 3.04 2d21A6 ASN 201 HD21 0.03 0.52 0.16 -0.04 7.03 7.71 2d21A6 ASN 201 HD22 0.06 -0.10 0.03 -0.04 7.74 7.69 2d21A6 LYS 202 H -0.07 0.48 -0.51 -0.55 8.42 7.77 2d21A6 LYS 202 HA -0.06 0.01 0.35 -0.75 4.32 3.87 2d21A6 LYS 202 HB2 0.00 0.06 -0.18 -0.04 1.87 1.71 2d21A6 LYS 202 HB3 -0.00 -0.06 0.17 -0.04 1.79 1.86 2d21A6 LYS 202 HG2 -0.01 -0.08 0.03 -0.04 1.46 1.36 2d21A6 LYS 202 HG3 -0.03 -0.03 0.10 -0.04 1.46 1.46 2d21A6 LYS 202 HD2 -0.02 0.10 -0.13 -0.04 1.69 1.60 2d21A6 LYS 202 HD3 -0.01 -0.09 -0.01 -0.04 1.68 1.53 2d21A6 LYS 202 HE2 -0.02 -0.13 0.03 -0.04 2.99 2.83 2d21A6 LYS 202 HE3 -0.04 0.08 0.08 -0.04 2.99 3.07 2d21A6 HIS 203 H -0.02 0.14 -0.74 -0.55 8.41 7.24 2d21A6 HIS 203 HA 0.01 0.11 0.44 -0.75 4.63 4.43 2d21A6 HIS 203 HB2 0.02 -0.03 0.08 -0.04 3.26 3.29 2d21A6 HIS 203 HB3 0.01 0.09 0.07 -0.04 3.20 3.33 2d21A6 HIS 203 HD2 0.03 -0.04 -0.32 -0.04 6.97 6.59 2d21A6 HIS 203 HE1 0.02 -0.01 -0.01 -0.04 7.75 7.70 2d21A6 MET 204 H -0.33 0.12 -0.26 -0.55 8.47 7.46 2d21A6 MET 204 HA 0.06 0.07 0.37 -0.75 4.52 4.27 2d21A6 MET 204 HB2 -0.29 -0.02 -0.07 -0.04 2.15 1.74 2d21A6 MET 204 HB3 -0.15 -0.02 -0.15 -0.04 2.03 1.67 2d21A6 MET 204 HG2 -0.08 0.04 -0.05 -0.04 2.63 2.51 2d21A6 MET 204 HG3 -0.05 -0.08 -0.08 -0.04 2.56 2.31 2d21A6 MET 204 HE3 0.29 0.00 -0.05 -0.04 2.10 2.30 2d21A6 ASN 205 H -0.00 0.15 0.07 -0.55 8.53 8.20 2d21A6 ASN 205 HA -0.02 0.26 0.76 -0.75 4.76 5.00 2d21A6 ASN 205 HB2 -0.02 -0.04 0.20 -0.04 2.88 2.97 2d21A6 ASN 205 HB3 0.01 0.11 0.11 -0.04 2.79 2.98 2d21A6 ASN 205 HD21 0.06 -0.01 0.13 -0.04 7.03 7.17 2d21A6 ASN 205 HD22 0.09 0.43 0.27 -0.04 7.74 8.49 2d21A6 ALA 206 H -0.07 0.51 -0.84 -0.55 8.40 7.46 2d21A6 ALA 206 HA -0.13 0.02 0.26 -0.75 4.34 3.74 2d21A6 ALA 206 HB3 -0.08 0.03 -0.02 -0.04 1.41 1.29 2d21A6 ASP 207 H -0.06 0.07 -0.64 -0.55 8.40 7.23 2d21A6 ASP 207 HA -0.04 0.18 0.69 -0.75 4.63 4.70 2d21A6 ASP 207 HB2 -0.03 0.01 -0.04 -0.04 2.71 2.61 2d21A6 ASP 207 HB3 -0.03 -0.01 0.09 -0.04 2.70 2.71 2d21A6 THR 208 H -0.09 0.45 -0.07 -0.55 8.28 8.03 2d21A6 THR 208 HA -0.06 -0.01 0.55 -0.75 4.39 4.11 2d21A6 THR 208 HB -0.16 0.10 0.31 -0.04 4.32 4.52 2d21A6 THR 208 HG23 -0.08 -0.04 -0.09 -0.04 1.22 0.97 2d21A6 ASP 209 H -0.05 0.11 0.24 -0.55 8.40 8.15 2d21A6 ASP 209 HA -0.06 0.14 0.89 -0.75 4.63 4.84 2d21A6 ASP 209 HB2 0.00 0.00 0.20 -0.04 2.71 2.88 2d21A6 ASP 209 HB3 -0.01 0.21 0.07 -0.04 2.70 2.93 2d21A6 TYR 210 H -0.00 0.25 0.18 -0.55 8.29 8.16 2d21A6 TYR 210 HA -0.21 0.06 0.41 -0.75 4.56 4.06 2d21A6 TYR 210 HB2 -0.37 0.03 0.19 -0.04 3.06 2.86 2d21A6 TYR 210 HB3 -0.25 0.00 0.15 -0.04 2.98 2.84 2d21A6 TYR 210 HD2 -0.36 -0.03 -0.13 -0.04 7.15 6.59 2d21A6 TYR 210 HE2 -0.11 0.04 -0.00 -0.04 6.85 6.73 2d21A6 SER 211 H 0.05 0.09 -0.13 -0.55 8.46 7.92 2d21A6 SER 211 HA 0.07 0.13 0.34 -0.75 4.49 4.27 2d21A6 SER 211 HB2 0.02 -0.00 -0.01 -0.04 3.95 3.91 2d21A6 SER 211 HB3 0.03 0.09 0.03 -0.04 3.93 4.04 2d21A6 ILE 212 H -0.05 0.11 -0.41 -0.55 8.25 7.35 2d21A6 ILE 212 HA -0.01 0.17 0.66 -0.75 4.18 4.24 2d21A6 ILE 212 HB -0.05 -0.09 0.19 -0.04 1.89 1.90 2d21A6 ILE 212 HG12 -0.01 0.09 0.01 -0.04 1.49 1.54 2d21A6 ILE 212 HG13 -0.01 -0.11 -0.02 -0.04 1.21 1.02 2d21A6 ILE 212 HG23 -0.02 0.03 -0.10 -0.04 0.93 0.80 2d21A6 ILE 212 HD13 -0.02 -0.01 0.08 -0.04 0.88 0.88 2d21A6 ALA 213 H -0.11 0.41 -0.07 -0.55 8.40 8.08 2d21A6 ALA 213 HA -0.01 0.07 0.26 -0.75 4.34 3.91 2d21A6 ALA 213 HB3 -0.13 0.05 -0.15 -0.04 1.41 1.13 2d21A6 GLU 214 H -0.26 0.61 -0.04 -0.55 8.60 8.37 2d21A6 GLU 214 HA -0.06 0.07 0.38 -0.75 4.29 3.93 2d21A6 GLU 214 HB2 -0.48 0.00 0.10 -0.04 2.09 1.67 2d21A6 GLU 214 HB3 -0.08 -0.01 0.06 -0.04 1.99 1.92 2d21A6 GLU 214 HG2 0.07 0.01 -0.18 -0.04 2.34 2.19 2d21A6 GLU 214 HG3 0.00 -0.00 0.01 -0.04 2.34 2.31 2d21A6 ALA 215 H -0.01 0.22 -0.36 -0.55 8.40 7.70 2d21A6 ALA 215 HA 0.05 0.04 0.35 -0.75 4.34 4.02 2d21A6 ALA 215 HB3 0.02 0.04 0.12 -0.04 1.41 1.55 2d21A6 ALA 216 H 0.03 0.55 -0.12 -0.55 8.40 8.31 2d21A6 ALA 216 HA 0.02 0.01 0.36 -0.75 4.34 3.98 2d21A6 ALA 216 HB3 0.04 0.02 0.02 -0.04 1.41 1.45 2d21A6 PHE 217 H 0.17 0.55 -0.30 -0.55 8.34 8.21 2d21A6 PHE 217 HA 0.02 -0.01 0.41 -0.75 4.62 4.28 2d21A6 PHE 217 HB2 0.00 0.02 0.03 -0.04 3.15 3.16 2d21A6 PHE 217 HB3 -0.01 0.07 0.16 -0.04 3.06 3.23 2d21A6 PHE 217 HD2 0.03 0.02 -0.21 -0.04 7.28 7.07 2d21A6 PHE 217 HE2 0.04 0.05 -0.25 -0.04 7.38 7.18 2d21A6 PHE 217 HZ 0.05 0.08 -0.11 -0.04 7.32 7.30 2d21A6 ASN 218 H 0.18 0.60 -0.09 -0.55 8.53 8.68 2d21A6 ASN 218 HA 0.01 0.01 0.43 -0.75 4.76 4.46 2d21A6 ASN 218 HB2 0.15 -0.02 0.11 -0.04 2.88 3.08 2d21A6 ASN 218 HB3 0.07 0.12 0.16 -0.04 2.79 3.09 2d21A6 ASN 218 HD21 0.06 -0.02 -0.02 -0.04 7.03 7.01 2d21A6 ASN 218 HD22 0.05 -0.04 -0.02 -0.04 7.74 7.69 2d21A6 LYS 219 H 0.01 0.42 -0.22 -0.55 8.42 8.08 2d21A6 LYS 219 HA -0.01 0.02 0.39 -0.75 4.32 3.95 2d21A6 LYS 219 HB2 -0.01 0.01 0.10 -0.04 1.87 1.94 2d21A6 LYS 219 HB3 -0.01 -0.03 0.08 -0.04 1.79 1.79 2d21A6 LYS 219 HG2 0.01 0.05 -0.17 -0.04 1.46 1.31 2d21A6 LYS 219 HG3 0.01 -0.06 -0.03 -0.04 1.46 1.33 2d21A6 LYS 219 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 2d21A6 LYS 219 HD3 0.02 0.02 -0.06 -0.04 1.68 1.62 2d21A6 LYS 219 HE2 0.02 -0.05 -0.09 -0.04 2.99 2.83 2d21A6 LYS 219 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.90 2d21A6 GLY 220 H -0.12 0.34 -0.44 -0.55 8.43 7.66 2d21A6 GLY 220 HA2 -0.18 0.03 0.35 -0.51 4.01 3.70 2d21A6 GLY 220 HA3 -0.09 0.06 0.61 -0.51 4.01 4.09 2d21A6 GLU 221 H -0.04 0.36 -0.05 -0.55 8.60 8.32 2d21A6 GLU 221 HA -0.01 0.14 0.54 -0.75 4.29 4.21 2d21A6 GLU 221 HB2 0.00 -0.01 0.03 -0.04 2.09 2.08 2d21A6 GLU 221 HB3 0.01 -0.04 0.04 -0.04 1.99 1.96 2d21A6 GLU 221 HG2 -0.01 0.04 -0.20 -0.04 2.34 2.13 2d21A6 GLU 221 HG3 0.00 -0.06 -0.03 -0.04 2.34 2.21 2d21A6 THR 222 H -0.03 0.11 -0.23 -0.55 8.28 7.59 2d21A6 THR 222 HA 0.05 0.29 0.79 -0.75 4.39 4.76 2d21A6 THR 222 HB 0.13 0.10 0.07 -0.04 4.32 4.57 2d21A6 THR 222 HG23 0.08 -0.03 -0.28 -0.04 1.22 0.96 2d21A6 ALA 223 H 0.06 0.47 0.31 -0.55 8.40 8.69 2d21A6 ALA 223 HA 0.02 0.06 0.59 -0.75 4.34 4.26 2d21A6 ALA 223 HB3 0.04 -0.00 0.08 -0.04 1.41 1.49 2d21A6 MET 224 H 0.12 0.34 0.06 -0.55 8.47 8.43 2d21A6 MET 224 HA 0.20 0.15 0.59 -0.75 4.52 4.70 2d21A6 MET 224 HB2 0.01 0.00 0.01 -0.04 2.15 2.14 2d21A6 MET 224 HB3 0.23 0.12 0.01 -0.04 2.03 2.35 2d21A6 MET 224 HG2 0.09 -0.01 -0.42 -0.04 2.63 2.25 2d21A6 MET 224 HG3 0.06 -0.09 -0.23 -0.04 2.56 2.26 2d21A6 MET 224 HE3 0.01 -0.02 -0.13 -0.04 2.10 1.91 2d21A6 THR 225 H 0.05 0.72 0.35 -0.55 8.28 8.85 2d21A6 THR 225 HA 0.08 -0.01 0.49 -0.75 4.39 4.19 2d21A6 THR 225 HB 0.22 0.08 -0.17 -0.04 4.32 4.40 2d21A6 THR 225 HG23 -0.29 0.03 -0.16 -0.04 1.22 0.77 2d21A6 ILE 226 H 0.04 0.23 0.25 -0.55 8.25 8.21 2d21A6 ILE 226 HA -0.18 0.16 0.80 -0.75 4.18 4.21 2d21A6 ILE 226 HB -0.13 -0.08 0.04 -0.04 1.89 1.67 2d21A6 ILE 226 HG12 -0.18 0.08 0.02 -0.04 1.49 1.36 2d21A6 ILE 226 HG13 -0.19 -0.06 -0.44 -0.04 1.21 0.49 2d21A6 ILE 226 HG23 -0.34 0.02 -0.05 -0.04 0.93 0.53 2d21A6 ILE 226 HD13 -0.08 -0.00 -0.09 -0.04 0.88 0.67 2d21A6 ASN 227 H -0.30 0.37 0.20 -0.55 8.53 8.25 2d21A6 ASN 227 HA -0.25 -0.00 0.49 -0.75 4.76 4.24 2d21A6 ASN 227 HB2 -0.14 0.03 -0.23 -0.04 2.88 2.49 2d21A6 ASN 227 HB3 -0.16 0.07 -0.07 -0.04 2.79 2.59 2d21A6 ASN 227 HD21 -0.10 0.02 -0.03 -0.04 7.03 6.88 2d21A6 ASN 227 HD22 0.07 -0.02 0.02 -0.04 7.74 7.77 2d21A6 GLY 228 H -0.11 0.07 0.04 -0.55 8.43 7.89 2d21A6 GLY 228 HA2 -0.12 0.18 0.70 -0.51 4.01 4.26 2d21A6 GLY 228 HA3 0.04 0.02 0.26 -0.51 4.01 3.82 2d21A6 PRO 229 HA -0.18 0.06 0.37 -0.51 4.44 4.17 2d21A6 PRO 229 HB2 -1.07 0.04 0.02 -0.04 2.28 1.23 2d21A6 PRO 229 HB3 -0.26 0.00 0.13 -0.04 2.02 1.85 2d21A6 PRO 229 HG2 0.08 -0.00 0.16 -0.04 2.03 2.23 2d21A6 PRO 229 HG3 0.09 0.08 0.13 -0.04 2.03 2.28 2d21A6 PRO 229 HD2 0.18 0.10 0.24 -0.04 3.68 4.16 2d21A6 PRO 229 HD3 0.02 0.17 0.19 -0.04 3.65 3.99 2d21A6 TRP 230 H 0.10 0.23 -0.03 -0.55 7.97 7.72 2d21A6 TRP 230 HA 0.05 0.18 0.67 -0.75 4.62 4.76 2d21A6 TRP 230 HB2 0.05 -0.03 0.00 -0.04 3.23 3.20 2d21A6 TRP 230 HB3 0.04 0.04 -0.08 -0.04 3.23 3.19 2d21A6 TRP 230 HD1 0.08 0.05 -0.06 -0.04 7.22 7.24 2d21A6 TRP 230 HE1 0.11 0.09 -0.15 -0.04 10.20 10.21 2d21A6 TRP 230 HE3 0.14 -0.04 -0.03 -0.04 7.59 7.63 2d21A6 TRP 230 HZ2 0.19 0.14 0.03 -0.04 7.44 7.76 2d21A6 TRP 230 HZ3 0.16 0.03 -0.04 -0.04 7.13 7.24 2d21A6 TRP 230 HH2 0.17 0.09 -0.05 -0.04 7.19 7.35 2d21A6 ALA 231 H 0.14 0.31 0.01 -0.55 8.40 8.30 2d21A6 ALA 231 HA -0.12 0.05 0.77 -0.75 4.34 4.29 2d21A6 ALA 231 HB3 -0.07 0.02 0.06 -0.04 1.41 1.38 2d21A6 TRP 232 H -0.21 0.10 0.05 -0.55 7.97 7.37 2d21A6 TRP 232 HA -0.09 0.09 0.53 -0.75 4.62 4.39 2d21A6 TRP 232 HB2 -0.09 0.05 0.02 -0.04 3.23 3.17 2d21A6 TRP 232 HB3 -0.11 0.03 0.08 -0.04 3.23 3.18 2d21A6 TRP 232 HD1 -0.30 0.04 0.09 -0.04 7.22 7.00 2d21A6 TRP 232 HE1 -0.14 -0.07 0.05 -0.04 10.20 9.99 2d21A6 TRP 232 HE3 -0.08 0.05 -0.29 -0.04 7.59 7.23 2d21A6 TRP 232 HZ2 -0.02 -0.05 0.01 -0.04 7.44 7.33 2d21A6 TRP 232 HZ3 -0.04 0.01 -0.05 -0.04 7.13 7.00 2d21A6 TRP 232 HH2 -0.02 -0.01 -0.01 -0.04 7.19 7.12 2d21A6 SER 233 H 0.02 0.39 0.30 -0.55 8.46 8.62 2d21A6 SER 233 HA -0.11 0.03 0.37 -0.75 4.49 4.03 2d21A6 SER 233 HB2 -0.59 0.10 -0.16 -0.04 3.95 3.26 2d21A6 SER 233 HB3 -0.21 0.08 -0.05 -0.04 3.93 3.70 2d21A6 ASN 234 H -0.03 0.15 0.08 -0.55 8.53 8.18 2d21A6 ASN 234 HA 0.00 0.18 0.62 -0.75 4.76 4.81 2d21A6 ASN 234 HB2 0.05 0.01 -0.11 -0.04 2.88 2.79 2d21A6 ASN 234 HB3 0.03 -0.01 0.08 -0.04 2.79 2.85 2d21A6 ASN 234 HD21 0.02 -0.02 0.10 -0.04 7.03 7.08 2d21A6 ASN 234 HD22 0.01 0.01 0.06 -0.04 7.74 7.78 2d21A6 ILE 235 H -0.04 0.35 0.06 -0.55 8.25 8.07 2d21A6 ILE 235 HA 0.00 0.10 0.40 -0.75 4.18 3.93 2d21A6 ILE 235 HB 0.01 0.17 0.07 -0.04 1.89 2.09 2d21A6 ILE 235 HG12 0.01 0.03 -0.11 -0.04 1.49 1.39 2d21A6 ILE 235 HG13 0.01 -0.02 0.12 -0.04 1.21 1.28 2d21A6 ILE 235 HG23 -0.02 -0.04 -0.09 -0.04 0.93 0.74 2d21A6 ILE 235 HD13 0.01 0.01 -0.00 -0.04 0.88 0.86 2d21A6 ASP 236 H 0.01 0.18 0.08 -0.55 8.40 8.12 2d21A6 ASP 236 HA 0.02 0.07 0.26 -0.75 4.63 4.23 2d21A6 ASP 236 HB2 0.03 -0.02 -0.12 -0.04 2.71 2.57 2d21A6 ASP 236 HB3 0.05 0.05 0.13 -0.04 2.70 2.88 2d21A6 THR 237 H 0.01 0.03 -0.28 -0.55 8.28 7.49 2d21A6 THR 237 HA 0.00 0.12 0.47 -0.75 4.39 4.23 2d21A6 THR 237 HB 0.02 0.05 0.03 -0.04 4.32 4.38 2d21A6 THR 237 HG23 -0.02 -0.01 -0.15 -0.04 1.22 1.00 2d21A6 SER 238 H 0.06 0.37 0.37 -0.55 8.46 8.71 2d21A6 SER 238 HA 0.07 0.14 0.73 -0.75 4.49 4.68 2d21A6 SER 238 HB2 0.08 0.03 -0.01 -0.04 3.95 4.02 2d21A6 SER 238 HB3 0.08 -0.00 0.07 -0.04 3.93 4.03 2d21A6 LYS 239 H 0.10 0.28 0.18 -0.55 8.42 8.43 2d21A6 LYS 239 HA 0.12 0.12 0.57 -0.75 4.32 4.37 2d21A6 LYS 239 HB2 0.13 0.04 -0.36 -0.04 1.87 1.64 2d21A6 LYS 239 HB3 0.15 -0.05 -0.14 -0.04 1.79 1.72 2d21A6 LYS 239 HG2 0.19 -0.01 -0.04 -0.04 1.46 1.56 2d21A6 LYS 239 HG3 0.20 0.06 0.01 -0.04 1.46 1.69 2d21A6 LYS 239 HD2 0.12 -0.06 0.13 -0.04 1.69 1.84 2d21A6 LYS 239 HD3 0.14 0.03 0.08 -0.04 1.68 1.89 2d21A6 LYS 239 HE2 0.12 0.17 0.01 -0.04 2.99 3.25 2d21A6 LYS 239 HE3 0.10 0.02 -0.00 -0.04 2.99 3.06 2d21A6 VAL 240 H 0.14 0.27 0.15 -0.55 8.24 8.25 2d21A6 VAL 240 HA 0.18 0.09 0.85 -0.75 4.13 4.50 2d21A6 VAL 240 HB 0.20 0.09 0.06 -0.04 2.12 2.43 2d21A6 VAL 240 HG13 0.20 -0.00 -0.17 -0.04 0.97 0.96 2d21A6 VAL 240 HG23 0.10 0.01 -0.08 -0.04 0.95 0.94 2d21A6 ASN 241 H 0.21 0.09 0.14 -0.55 8.53 8.43 2d21A6 ASN 241 HA 0.16 0.06 0.51 -0.75 4.76 4.74 2d21A6 ASN 241 HB2 0.39 -0.06 0.10 -0.04 2.88 3.27 2d21A6 ASN 241 HB3 0.13 0.03 0.11 -0.04 2.79 3.01 2d21A6 ASN 241 HD21 -1.29 -0.03 0.10 -0.04 7.03 5.77 2d21A6 ASN 241 HD22 -0.91 0.10 0.12 -0.04 7.74 7.01 2d21A6 TYR 242 H -0.50 0.15 0.22 -0.55 8.29 7.62 2d21A6 TYR 242 HA -0.03 0.18 0.68 -0.75 4.56 4.64 2d21A6 TYR 242 HB2 -0.09 0.12 0.09 -0.04 3.06 3.14 2d21A6 TYR 242 HB3 -0.05 0.08 -0.19 -0.04 2.98 2.78 2d21A6 TYR 242 HD2 -0.09 0.20 -0.16 -0.04 7.15 7.05 2d21A6 TYR 242 HE2 -0.13 -0.00 -0.11 -0.04 6.85 6.57 2d21A6 GLY 243 H 0.12 0.28 0.16 -0.55 8.43 8.44 2d21A6 GLY 243 HA2 -0.11 0.11 0.73 -0.51 4.01 4.22 2d21A6 GLY 243 HA3 -0.00 0.05 0.27 -0.51 4.01 3.82 2d21A6 VAL 244 H -0.01 0.18 0.10 -0.55 8.24 7.95 2d21A6 VAL 244 HA 0.02 0.16 0.89 -0.75 4.13 4.45 2d21A6 VAL 244 HB 0.00 -0.04 -0.06 -0.04 2.12 1.98 2d21A6 VAL 244 HG13 -0.02 0.01 0.07 -0.04 0.97 0.99 2d21A6 VAL 244 HG23 -0.00 0.02 -0.10 -0.04 0.95 0.82 2d21A6 THR 245 H -0.02 0.28 0.25 -0.55 8.28 8.24 2d21A6 THR 245 HA 0.02 0.13 0.69 -0.75 4.39 4.48 2d21A6 THR 245 HB 0.08 0.00 -0.27 -0.04 4.32 4.10 2d21A6 THR 245 HG23 -0.16 0.05 -0.03 -0.04 1.22 1.04 2d21A6 VAL 246 H 0.03 0.09 0.15 -0.55 8.24 7.96 2d21A6 VAL 246 HA -0.03 0.08 0.43 -0.75 4.13 3.86 2d21A6 VAL 246 HB 0.01 -0.02 0.14 -0.04 2.12 2.21 2d21A6 VAL 246 HG13 0.05 0.00 -0.08 -0.04 0.97 0.91 2d21A6 VAL 246 HG23 -0.02 0.02 0.03 -0.04 0.95 0.95 2d21A6 LEU 247 H -0.06 0.27 0.18 -0.55 8.37 8.22 2d21A6 LEU 247 HA -0.16 0.11 0.56 -0.75 4.35 4.10 2d21A6 LEU 247 HB2 -0.11 0.04 -0.02 -0.04 1.64 1.51 2d21A6 LEU 247 HB3 -0.14 -0.01 -0.07 -0.04 1.64 1.38 2d21A6 LEU 247 HG -0.06 -0.01 -0.07 -0.04 1.64 1.47 2d21A6 LEU 247 HD13 -0.01 0.02 -0.11 -0.04 0.93 0.79 2d21A6 LEU 247 HD23 -0.06 -0.01 -0.22 -0.04 0.89 0.56 2d21A6 PRO 248 HA -0.18 0.09 0.09 -0.51 4.44 3.92 2d21A6 PRO 248 HB2 -1.13 -0.05 -0.29 -0.04 2.28 0.77 2d21A6 PRO 248 HB3 -0.52 -0.02 -0.24 -0.04 2.02 1.20 2d21A6 PRO 248 HG2 -1.23 0.05 -0.06 -0.04 2.03 0.75 2d21A6 PRO 248 HG3 -1.21 0.03 -0.08 -0.04 2.03 0.73 2d21A6 PRO 248 HD2 -0.32 0.12 0.11 -0.04 3.68 3.55 2d21A6 PRO 248 HD3 -0.35 0.15 0.00 -0.04 3.65 3.41 2d21A6 THR 249 H 0.02 0.10 0.25 -0.55 8.28 8.11 2d21A6 THR 249 HA 0.26 0.20 0.82 -0.75 4.39 4.92 2d21A6 THR 249 HB 0.09 0.24 0.13 -0.04 4.32 4.74 2d21A6 THR 249 HG23 0.03 0.06 -0.04 -0.04 1.22 1.23 2d21A6 PHE 250 H 0.27 0.47 0.23 -0.55 8.34 8.75 2d21A6 PHE 250 HA 0.06 -0.04 0.78 -0.75 4.62 4.67 2d21A6 PHE 250 HB2 -0.00 0.09 0.13 -0.04 3.15 3.32 2d21A6 PHE 250 HB3 -0.01 0.12 0.04 -0.04 3.06 3.17 2d21A6 PHE 250 HD2 -0.11 -0.02 0.02 -0.04 7.28 7.13 2d21A6 PHE 250 HE2 -0.24 -0.02 -0.04 -0.04 7.38 7.04 2d21A6 PHE 250 HZ -0.04 0.06 -0.04 -0.04 7.32 7.26 2d21A6 LYS 251 H -0.83 0.10 0.14 -0.55 8.42 7.28 2d21A6 LYS 251 HA -0.24 -0.02 0.36 -0.75 4.32 3.66 2d21A6 LYS 251 HB2 -0.35 0.07 0.03 -0.04 1.87 1.59 2d21A6 LYS 251 HB3 -0.38 -0.03 0.13 -0.04 1.79 1.47 2d21A6 LYS 251 HG2 -1.61 -0.07 0.15 -0.04 1.46 -0.11 2d21A6 LYS 251 HG3 -1.09 0.05 0.11 -0.04 1.46 0.49 2d21A6 LYS 251 HD2 -0.31 0.03 0.02 -0.04 1.69 1.39 2d21A6 LYS 251 HD3 -0.34 -0.00 0.04 -0.04 1.68 1.34 2d21A6 LYS 251 HE2 -0.43 -0.04 0.05 -0.04 2.99 2.53 2d21A6 LYS 251 HE3 -0.19 0.03 0.03 -0.04 2.99 2.81 2d21A6 GLY 252 H -0.12 0.11 0.22 -0.55 8.43 8.09 2d21A6 GLY 252 HA2 -0.07 -0.01 0.34 -0.51 4.01 3.76 2d21A6 GLY 252 HA3 -0.10 0.09 0.53 -0.51 4.01 4.02 2d21A6 GLN 253 H -0.03 0.52 -0.29 -0.55 8.47 8.13 2d21A6 GLN 253 HA 0.01 0.21 0.86 -0.75 4.36 4.68 2d21A6 GLN 253 HB2 0.07 0.24 -0.35 -0.04 2.15 2.07 2d21A6 GLN 253 HB3 0.04 0.06 -0.07 -0.04 2.02 2.01 2d21A6 GLN 253 HG2 0.13 -0.10 -0.34 -0.04 2.40 2.04 2d21A6 GLN 253 HG3 0.26 -0.11 -0.24 -0.04 2.39 2.26 2d21A6 GLN 253 HE21 -0.01 0.19 -0.62 -0.04 6.97 6.49 2d21A6 GLN 253 HE22 -0.02 -0.06 -0.10 -0.04 7.69 7.47 2d21A6 PRO 254 HA 0.04 -0.06 0.46 -0.51 4.44 4.37 2d21A6 PRO 254 HB2 0.01 0.18 0.03 -0.04 2.28 2.45 2d21A6 PRO 254 HB3 0.01 -0.04 0.11 -0.04 2.02 2.05 2d21A6 PRO 254 HG2 0.00 0.11 0.07 -0.04 2.03 2.17 2d21A6 PRO 254 HG3 -0.00 -0.02 0.07 -0.04 2.03 2.04 2d21A6 PRO 254 HD2 0.01 0.16 0.22 -0.04 3.68 4.03 2d21A6 PRO 254 HD3 0.00 0.08 0.10 -0.04 3.65 3.80 2d21A6 SER 255 H 0.05 0.03 0.19 -0.55 8.46 8.19 2d21A6 SER 255 HA 0.02 0.04 0.50 -0.75 4.49 4.29 2d21A6 SER 255 HB2 0.12 0.06 0.18 -0.04 3.95 4.27 2d21A6 SER 255 HB3 0.04 -0.02 0.03 -0.04 3.93 3.93 2d21A6 LYS 256 H -0.07 0.13 -0.09 -0.55 8.42 7.84 2d21A6 LYS 256 HA -0.00 0.14 0.72 -0.75 4.32 4.42 2d21A6 LYS 256 HB2 -0.06 0.13 -0.07 -0.04 1.87 1.83 2d21A6 LYS 256 HB3 -0.00 -0.01 0.06 -0.04 1.79 1.80 2d21A6 LYS 256 HG2 -0.01 -0.07 -0.02 -0.04 1.46 1.33 2d21A6 LYS 256 HG3 -0.01 0.14 -0.43 -0.04 1.46 1.12 2d21A6 LYS 256 HD2 -0.01 0.24 -0.06 -0.04 1.69 1.82 2d21A6 LYS 256 HD3 -0.00 -0.05 -0.06 -0.04 1.68 1.53 2d21A6 LYS 256 HE2 -0.01 -0.07 -0.05 -0.04 2.99 2.81 2d21A6 LYS 256 HE3 -0.01 0.00 -0.06 -0.04 2.99 2.89 2d21A6 PRO 257 HA 0.06 0.04 0.57 -0.51 4.44 4.60 2d21A6 PRO 257 HB2 0.04 -0.05 0.16 -0.04 2.28 2.39 2d21A6 PRO 257 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.02 2d21A6 PRO 257 HG2 0.04 0.07 -0.02 -0.04 2.03 2.08 2d21A6 PRO 257 HG3 -0.01 0.08 -0.03 -0.04 2.03 2.03 2d21A6 PRO 257 HD2 0.02 0.14 0.06 -0.04 3.68 3.86 2d21A6 PRO 257 HD3 0.00 0.08 -0.29 -0.04 3.65 3.40 2d21A6 PHE 258 H 0.31 0.02 0.17 -0.55 8.34 8.29 2d21A6 PHE 258 HA 0.13 0.08 0.59 -0.75 4.62 4.67 2d21A6 PHE 258 HB2 0.07 -0.06 0.18 -0.04 3.15 3.30 2d21A6 PHE 258 HB3 0.11 0.11 0.21 -0.04 3.06 3.45 2d21A6 PHE 258 HD2 0.28 0.00 0.03 -0.04 7.28 7.55 2d21A6 PHE 258 HE2 0.35 -0.01 0.03 -0.04 7.38 7.71 2d21A6 PHE 258 HZ 0.29 -0.03 0.02 -0.04 7.32 7.56 2d21A6 VAL 259 H 0.06 0.42 0.36 -0.55 8.24 8.53 2d21A6 VAL 259 HA 0.07 0.15 0.74 -0.75 4.13 4.33 2d21A6 VAL 259 HB 0.02 -0.02 -0.02 -0.04 2.12 2.06 2d21A6 VAL 259 HG13 0.05 0.01 -0.03 -0.04 0.97 0.96 2d21A6 VAL 259 HG23 -0.01 -0.00 -0.08 -0.04 0.95 0.81 2d21A6 GLY 260 H 0.09 0.43 0.28 -0.55 8.43 8.68 2d21A6 GLY 260 HA2 0.39 0.04 0.66 -0.51 4.01 4.58 2d21A6 GLY 260 HA3 0.10 0.06 0.26 -0.51 4.01 3.92 2d21A6 VAL 261 H 0.20 0.11 0.11 -0.55 8.24 8.12 2d21A6 VAL 261 HA 0.04 0.27 1.06 -0.75 4.13 4.75 2d21A6 VAL 261 HB 0.26 -0.04 0.07 -0.04 2.12 2.36 2d21A6 VAL 261 HG13 0.02 0.05 -0.07 -0.04 0.97 0.92 2d21A6 VAL 261 HG23 0.11 -0.00 -0.18 -0.04 0.95 0.84 2d21A6 LEU 262 H -0.03 0.47 0.20 -0.55 8.37 8.46 2d21A6 LEU 262 HA -0.17 -0.02 0.44 -0.75 4.35 3.85 2d21A6 LEU 262 HB2 -0.09 0.06 0.03 -0.04 1.64 1.60 2d21A6 LEU 262 HB3 -0.03 -0.11 0.18 -0.04 1.64 1.64 2d21A6 LEU 262 HG 0.05 0.01 -0.26 -0.04 1.64 1.40 2d21A6 LEU 262 HD13 -0.08 0.00 -0.17 -0.04 0.93 0.63 2d21A6 LEU 262 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.72 2d21A6 SER 263 H -0.24 0.56 0.31 -0.55 8.46 8.55 2d21A6 SER 263 HA -0.02 0.14 0.95 -0.75 4.49 4.81 2d21A6 SER 263 HB2 -0.75 0.05 -0.05 -0.04 3.95 3.16 2d21A6 SER 263 HB3 0.02 0.02 -0.04 -0.04 3.93 3.89 2d21A6 ALA 264 H 0.12 0.67 0.34 -0.55 8.40 8.99 2d21A6 ALA 264 HA -0.05 0.24 1.03 -0.75 4.34 4.80 2d21A6 ALA 264 HB3 -0.25 0.01 0.01 -0.04 1.41 1.14 2d21A6 GLY 265 H -0.07 0.61 0.38 -0.55 8.43 8.81 2d21A6 GLY 265 HA2 -0.00 0.16 0.87 -0.51 4.01 4.53 2d21A6 GLY 265 HA3 -0.25 0.04 0.32 -0.51 4.01 3.60 2d21A6 ILE 266 H -0.07 0.26 0.20 -0.55 8.25 8.09 2d21A6 ILE 266 HA -0.09 0.22 1.00 -0.75 4.18 4.55 2d21A6 ILE 266 HB -0.01 -0.02 0.02 -0.04 1.89 1.83 2d21A6 ILE 266 HG12 -0.05 0.05 -0.15 -0.04 1.49 1.30 2d21A6 ILE 266 HG13 0.01 -0.07 -0.22 -0.04 1.21 0.89 2d21A6 ILE 266 HG23 -0.03 0.05 -0.04 -0.04 0.93 0.88 2d21A6 ILE 266 HD13 0.01 0.01 -0.13 -0.04 0.88 0.73 2d21A6 ASN 267 H -0.06 0.66 0.12 -0.55 8.53 8.70 2d21A6 ASN 267 HA 0.04 0.30 0.74 -0.75 4.76 5.09 2d21A6 ASN 267 HB2 0.08 -0.06 -0.11 -0.04 2.88 2.75 2d21A6 ASN 267 HB3 -0.01 -0.02 0.24 -0.04 2.79 2.96 2d21A6 ASN 267 HD21 0.08 0.50 0.24 -0.04 7.03 7.81 2d21A6 ASN 267 HD22 -0.07 0.01 0.03 -0.04 7.74 7.67 2d21A6 ALA 268 H -0.01 0.54 0.04 -0.55 8.40 8.43 2d21A6 ALA 268 HA -0.01 -0.02 0.32 -0.75 4.34 3.87 2d21A6 ALA 268 HB3 -0.02 0.05 -0.26 -0.04 1.41 1.14 2d21A6 ALA 269 H -0.03 0.02 -0.35 -0.55 8.40 7.49 2d21A6 ALA 269 HA -0.03 0.13 0.49 -0.75 4.34 4.17 2d21A6 ALA 269 HB3 -0.06 -0.00 0.08 -0.04 1.41 1.38 2d21A6 SER 270 H -0.03 0.15 -0.37 -0.55 8.46 7.67 2d21A6 SER 270 HA -0.03 0.10 0.36 -0.75 4.49 4.16 2d21A6 SER 270 HB2 -0.02 -0.01 -0.11 -0.04 3.95 3.76 2d21A6 SER 270 HB3 -0.02 -0.07 -0.05 -0.04 3.93 3.75 2d21A6 PRO 271 HA -0.01 0.18 0.40 -0.51 4.44 4.50 2d21A6 PRO 271 HB2 -0.01 -0.02 0.05 -0.04 2.28 2.27 2d21A6 PRO 271 HB3 -0.01 0.10 0.08 -0.04 2.02 2.15 2d21A6 PRO 271 HG2 -0.01 -0.17 0.16 -0.04 2.03 1.98 2d21A6 PRO 271 HG3 -0.01 0.12 -0.16 -0.04 2.03 1.93 2d21A6 PRO 271 HD2 -0.02 0.07 0.15 -0.04 3.68 3.84 2d21A6 PRO 271 HD3 -0.02 0.21 0.10 -0.04 3.65 3.89 2d21A6 ASN 272 H -0.00 0.16 0.00 -0.55 8.53 8.15 2d21A6 ASN 272 HA 0.00 0.22 0.83 -0.75 4.76 5.05 2d21A6 ASN 272 HB2 0.01 -0.01 0.21 -0.04 2.88 3.05 2d21A6 ASN 272 HB3 0.01 -0.10 0.08 -0.04 2.79 2.74 2d21A6 ASN 272 HD21 0.01 -0.05 0.01 -0.04 7.03 6.96 2d21A6 ASN 272 HD22 0.00 0.05 -0.02 -0.04 7.74 7.74 2d21A6 LYS 273 H -0.00 0.38 0.01 -0.55 8.42 8.26 2d21A6 LYS 273 HA -0.01 0.10 0.35 -0.75 4.32 4.01 2d21A6 LYS 273 HB2 -0.00 -0.02 0.01 -0.04 1.87 1.81 2d21A6 LYS 273 HB3 -0.00 0.16 0.02 -0.04 1.79 1.93 2d21A6 LYS 273 HG2 0.00 -0.16 0.03 -0.04 1.46 1.29 2d21A6 LYS 273 HG3 0.01 0.03 -0.11 -0.04 1.46 1.35 2d21A6 LYS 273 HD2 0.00 0.12 0.03 -0.04 1.69 1.81 2d21A6 LYS 273 HD3 0.01 0.00 0.02 -0.04 1.68 1.67 2d21A6 LYS 273 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2d21A6 LYS 273 HE3 0.01 0.02 0.04 -0.04 2.99 3.02 2d21A6 GLU 274 H 0.01 0.08 -0.61 -0.55 8.60 7.53 2d21A6 GLU 274 HA -0.00 0.06 0.39 -0.75 4.29 3.99 2d21A6 GLU 274 HB2 0.01 0.04 0.04 -0.04 2.09 2.15 2d21A6 GLU 274 HB3 0.02 0.03 0.00 -0.04 1.99 2.00 2d21A6 GLU 274 HG2 0.03 0.01 -0.12 -0.04 2.34 2.22 2d21A6 GLU 274 HG3 0.01 -0.01 0.02 -0.04 2.34 2.32 2d21A6 LEU 275 H 0.02 0.46 -0.19 -0.55 8.37 8.12 2d21A6 LEU 275 HA 0.09 0.05 0.35 -0.75 4.35 4.08 2d21A6 LEU 275 HB2 0.01 0.08 0.14 -0.04 1.64 1.83 2d21A6 LEU 275 HB3 0.04 0.04 -0.01 -0.04 1.64 1.66 2d21A6 LEU 275 HG 0.03 0.01 0.14 -0.04 1.64 1.78 2d21A6 LEU 275 HD13 0.02 0.01 0.13 -0.04 0.93 1.05 2d21A6 LEU 275 HD23 0.07 -0.00 -0.01 -0.04 0.89 0.91 2d21A6 ALA 276 H -0.00 0.22 -0.27 -0.55 8.40 7.80 2d21A6 ALA 276 HA 0.02 0.04 0.46 -0.75 4.34 4.11 2d21A6 ALA 276 HB3 -0.02 0.04 0.06 -0.04 1.41 1.45 2d21A6 LYS 277 H -0.02 0.40 -0.11 -0.55 8.42 8.13 2d21A6 LYS 277 HA -0.12 0.05 0.51 -0.75 4.32 4.00 2d21A6 LYS 277 HB2 -0.11 -0.05 0.05 -0.04 1.87 1.72 2d21A6 LYS 277 HB3 -0.04 0.10 0.05 -0.04 1.79 1.86 2d21A6 LYS 277 HG2 -0.04 -0.02 -0.02 -0.04 1.46 1.34 2d21A6 LYS 277 HG3 -0.03 0.14 0.12 -0.04 1.46 1.65 2d21A6 LYS 277 HD2 -0.07 0.04 -0.44 -0.04 1.69 1.18 2d21A6 LYS 277 HD3 -0.16 -0.06 -0.14 -0.04 1.68 1.28 2d21A6 LYS 277 HE2 -0.05 -0.01 -0.04 -0.04 2.99 2.84 2d21A6 LYS 277 HE3 -0.03 0.01 -0.05 -0.04 2.99 2.88 2d21A6 GLU 278 H -0.00 0.61 -0.22 -0.55 8.60 8.44 2d21A6 GLU 278 HA 0.00 0.04 0.35 -0.75 4.29 3.93 2d21A6 GLU 278 HB2 0.15 0.12 0.13 -0.04 2.09 2.45 2d21A6 GLU 278 HB3 0.26 -0.01 -0.05 -0.04 1.99 2.15 2d21A6 GLU 278 HG2 0.03 0.03 0.00 -0.04 2.34 2.36 2d21A6 GLU 278 HG3 0.09 -0.01 -0.05 -0.04 2.34 2.33 2d21A6 PHE 279 H -0.05 0.52 -0.05 -0.55 8.34 8.21 2d21A6 PHE 279 HA -0.48 0.02 0.29 -0.75 4.62 3.70 2d21A6 PHE 279 HB2 -1.62 0.07 0.07 -0.04 3.15 1.63 2d21A6 PHE 279 HB3 -0.44 0.07 0.13 -0.04 3.06 2.77 2d21A6 PHE 279 HD2 -0.25 -0.01 -0.03 -0.04 7.28 6.95 2d21A6 PHE 279 HE2 -0.01 0.01 -0.22 -0.04 7.38 7.12 2d21A6 PHE 279 HZ -0.01 0.00 -0.14 -0.04 7.32 7.14 2d21A6 LEU 280 H -0.18 0.48 -0.34 -0.55 8.37 7.79 2d21A6 LEU 280 HA -0.44 -0.05 0.41 -0.75 4.35 3.51 2d21A6 LEU 280 HB2 -0.20 0.07 0.09 -0.04 1.64 1.56 2d21A6 LEU 280 HB3 -0.18 0.10 0.08 -0.04 1.64 1.60 2d21A6 LEU 280 HG -0.10 -0.08 0.01 -0.04 1.64 1.43 2d21A6 LEU 280 HD13 -0.08 -0.00 -0.07 -0.04 0.93 0.74 2d21A6 LEU 280 HD23 -0.04 0.00 -0.20 -0.04 0.89 0.61 2d21A6 GLU 281 H -0.16 0.54 -0.17 -0.55 8.60 8.27 2d21A6 GLU 281 HA -0.14 0.07 0.58 -0.75 4.29 4.04 2d21A6 GLU 281 HB2 -0.35 0.18 0.14 -0.04 2.09 2.02 2d21A6 GLU 281 HB3 -0.20 -0.01 0.04 -0.04 1.99 1.79 2d21A6 GLU 281 HG2 -0.23 -0.01 0.10 -0.04 2.34 2.17 2d21A6 GLU 281 HG3 -0.63 -0.01 0.02 -0.04 2.34 1.68 2d21A6 ASN 282 H -0.00 0.35 -0.29 -0.55 8.53 8.04 2d21A6 ASN 282 HA -0.15 0.13 0.75 -0.75 4.76 4.75 2d21A6 ASN 282 HB2 0.34 0.07 -0.04 -0.04 2.88 3.21 2d21A6 ASN 282 HB3 -0.23 -0.04 -0.04 -0.04 2.79 2.44 2d21A6 ASN 282 HD21 0.10 0.43 0.01 -0.04 7.03 7.54 2d21A6 ASN 282 HD22 0.06 -0.07 -0.07 -0.04 7.74 7.62 2d21A6 TYR 283 H 0.07 0.22 -0.02 -0.55 8.29 8.01 2d21A6 TYR 283 HA 0.02 0.08 0.66 -0.75 4.56 4.57 2d21A6 TYR 283 HB2 0.22 0.07 0.01 -0.04 3.06 3.32 2d21A6 TYR 283 HB3 0.12 -0.06 0.02 -0.04 2.98 3.02 2d21A6 TYR 283 HD2 0.29 -0.04 -0.09 -0.04 7.15 7.27 2d21A6 TYR 283 HE2 0.16 -0.01 -0.09 -0.04 6.85 6.88 2d21A6 LEU 284 H -0.14 0.35 0.19 -0.55 8.37 8.22 2d21A6 LEU 284 HA -0.11 0.03 0.36 -0.75 4.35 3.87 2d21A6 LEU 284 HB2 -0.58 -0.01 0.08 -0.04 1.64 1.10 2d21A6 LEU 284 HB3 -0.20 0.20 0.19 -0.04 1.64 1.79 2d21A6 LEU 284 HG -0.07 -0.02 -0.03 -0.04 1.64 1.48 2d21A6 LEU 284 HD13 0.06 -0.00 -0.11 -0.04 0.93 0.84 2d21A6 LEU 284 HD23 -0.16 -0.01 0.00 -0.04 0.89 0.68 2d21A6 LEU 285 H -0.07 0.23 -0.36 -0.55 8.37 7.62 2d21A6 LEU 285 HA -0.08 0.14 0.76 -0.75 4.35 4.41 2d21A6 LEU 285 HB2 0.00 0.07 0.12 -0.04 1.64 1.79 2d21A6 LEU 285 HB3 0.00 -0.08 0.15 -0.04 1.64 1.67 2d21A6 LEU 285 HG -0.01 0.07 -0.14 -0.04 1.64 1.52 2d21A6 LEU 285 HD13 0.14 -0.01 -0.04 -0.04 0.93 0.98 2d21A6 LEU 285 HD23 -0.01 0.03 -0.07 -0.04 0.89 0.80 2d21A6 THR 286 H -0.12 0.32 -0.27 -0.55 8.28 7.67 2d21A6 THR 286 HA -0.08 0.21 0.70 -0.75 4.39 4.46 2d21A6 THR 286 HB -0.06 -0.12 0.12 -0.04 4.32 4.22 2d21A6 THR 286 HG23 -0.11 0.04 -0.27 -0.04 1.22 0.84 2d21A6 ASP 287 H -0.06 0.25 0.13 -0.55 8.40 8.17 2d21A6 ASP 287 HA -0.49 0.10 0.37 -0.75 4.63 3.85 2d21A6 ASP 287 HB2 0.05 0.03 0.07 -0.04 2.71 2.82 2d21A6 ASP 287 HB3 0.24 0.07 0.08 -0.04 2.70 3.05 2d21A6 GLU 288 H -0.04 0.09 -0.11 -0.55 8.60 7.99 2d21A6 GLU 288 HA 0.00 0.12 0.40 -0.75 4.29 4.05 2d21A6 GLU 288 HB2 0.04 0.02 0.03 -0.04 2.09 2.14 2d21A6 GLU 288 HB3 0.04 0.07 0.00 -0.04 1.99 2.06 2d21A6 GLU 288 HG2 0.01 -0.10 0.07 -0.04 2.34 2.28 2d21A6 GLU 288 HG3 0.04 0.08 0.02 -0.04 2.34 2.44 2d21A6 GLY 289 H -0.05 0.02 -0.25 -0.55 8.43 7.60 2d21A6 GLY 289 HA2 0.00 0.06 0.44 -0.51 4.01 4.00 2d21A6 GLY 289 HA3 -0.02 0.35 0.31 -0.51 4.01 4.14 2d21A6 LEU 290 H -0.28 0.55 -0.09 -0.55 8.37 8.00 2d21A6 LEU 290 HA -0.15 0.09 0.54 -0.75 4.35 4.08 2d21A6 LEU 290 HB2 -1.23 0.03 0.12 -0.04 1.64 0.52 2d21A6 LEU 290 HB3 -0.37 -0.03 0.03 -0.04 1.64 1.23 2d21A6 LEU 290 HG -0.26 0.01 0.10 -0.04 1.64 1.46 2d21A6 LEU 290 HD13 -0.28 -0.04 -0.09 -0.04 0.93 0.48 2d21A6 LEU 290 HD23 -0.08 0.00 0.07 -0.04 0.89 0.84 2d21A6 GLU 291 H -0.20 0.45 -0.17 -0.55 8.60 8.13 2d21A6 GLU 291 HA 0.11 0.02 0.35 -0.75 4.29 4.02 2d21A6 GLU 291 HB2 0.14 0.06 0.16 -0.04 2.09 2.42 2d21A6 GLU 291 HB3 0.02 0.04 0.18 -0.04 1.99 2.19 2d21A6 GLU 291 HG2 0.04 -0.00 -0.12 -0.04 2.34 2.22 2d21A6 GLU 291 HG3 0.09 -0.02 0.04 -0.04 2.34 2.41 2d21A6 ALA 292 H -0.03 0.49 -0.27 -0.55 8.40 8.05 2d21A6 ALA 292 HA -0.01 -0.01 0.34 -0.75 4.34 3.90 2d21A6 ALA 292 HB3 -0.01 0.05 0.11 -0.04 1.41 1.53 2d21A6 VAL 293 H -0.04 0.46 -0.25 -0.55 8.24 7.85 2d21A6 VAL 293 HA -0.05 -0.08 0.60 -0.75 4.13 3.85 2d21A6 VAL 293 HB -0.06 0.11 0.15 -0.04 2.12 2.28 2d21A6 VAL 293 HG13 -0.09 -0.00 -0.01 -0.04 0.97 0.83 2d21A6 VAL 293 HG23 -0.07 0.03 -0.06 -0.04 0.95 0.80 2d21A6 ASN 294 H -0.01 0.53 -0.08 -0.55 8.53 8.43 2d21A6 ASN 294 HA -0.00 0.18 0.48 -0.75 4.76 4.67 2d21A6 ASN 294 HB2 0.07 0.04 0.13 -0.04 2.88 3.08 2d21A6 ASN 294 HB3 0.06 0.05 0.13 -0.04 2.79 2.99 2d21A6 ASN 294 HD21 0.05 0.02 -0.08 -0.04 7.03 6.98 2d21A6 ASN 294 HD22 0.03 -0.05 -0.02 -0.04 7.74 7.66 2d21A6 LYS 295 H -0.00 0.53 -0.13 -0.55 8.42 8.26 2d21A6 LYS 295 HA -0.00 0.03 0.38 -0.75 4.32 3.98 2d21A6 LYS 295 HB2 -0.01 -0.05 0.06 -0.04 1.87 1.83 2d21A6 LYS 295 HB3 0.01 0.01 0.08 -0.04 1.79 1.84 2d21A6 LYS 295 HG2 -0.01 0.14 0.12 -0.04 1.46 1.67 2d21A6 LYS 295 HG3 -0.02 -0.02 -0.08 -0.04 1.46 1.29 2d21A6 LYS 295 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.58 2d21A6 LYS 295 HD3 0.00 -0.03 -0.07 -0.04 1.68 1.55 2d21A6 LYS 295 HE2 -0.01 -0.01 0.02 -0.04 2.99 2.95 2d21A6 LYS 295 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.92 2d21A6 ASP 296 H -0.04 0.18 -0.40 -0.55 8.40 7.59 2d21A6 ASP 296 HA -0.06 0.03 0.44 -0.75 4.63 4.29 2d21A6 ASP 296 HB2 -0.08 0.09 0.17 -0.04 2.71 2.85 2d21A6 ASP 296 HB3 -0.08 0.11 0.25 -0.04 2.70 2.94 2d21A6 LYS 297 H -0.04 0.55 0.09 -0.55 8.42 8.46 2d21A6 LYS 297 HA -0.03 0.17 0.75 -0.75 4.32 4.46 2d21A6 LYS 297 HB2 -0.04 -0.19 -0.06 -0.04 1.87 1.54 2d21A6 LYS 297 HB3 -0.03 0.11 -0.03 -0.04 1.79 1.80 2d21A6 LYS 297 HG2 -0.06 -0.16 -0.51 -0.04 1.46 0.69 2d21A6 LYS 297 HG3 -0.01 0.02 -0.68 -0.04 1.46 0.75 2d21A6 LYS 297 HD2 -0.01 0.02 0.07 -0.04 1.69 1.73 2d21A6 LYS 297 HD3 -0.02 0.07 0.08 -0.04 1.68 1.77 2d21A6 LYS 297 HE2 0.01 -0.12 -0.04 -0.04 2.99 2.81 2d21A6 LYS 297 HE3 0.04 0.11 -0.15 -0.04 2.99 2.95 2d21A6 PRO 298 HA -0.01 0.05 0.42 -0.51 4.44 4.39 2d21A6 PRO 298 HB2 -0.01 -0.02 0.04 -0.04 2.28 2.25 2d21A6 PRO 298 HB3 -0.01 0.02 0.11 -0.04 2.02 2.11 2d21A6 PRO 298 HG2 -0.01 0.01 0.18 -0.04 2.03 2.17 2d21A6 PRO 298 HG3 -0.00 0.05 0.13 -0.04 2.03 2.16 2d21A6 PRO 298 HD2 -0.02 0.11 0.24 -0.04 3.68 3.98 2d21A6 PRO 298 HD3 -0.01 0.16 0.18 -0.04 3.65 3.94 2d21A6 LEU 299 H 0.00 0.12 0.28 -0.55 8.37 8.23 2d21A6 LEU 299 HA -0.03 0.08 0.64 -0.75 4.35 4.30 2d21A6 LEU 299 HB2 0.03 -0.00 0.14 -0.04 1.64 1.76 2d21A6 LEU 299 HB3 0.01 -0.00 -0.08 -0.04 1.64 1.53 2d21A6 LEU 299 HG -0.02 0.13 -0.13 -0.04 1.64 1.57 2d21A6 LEU 299 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.89 2d21A6 LEU 299 HD23 -0.06 -0.02 -0.04 -0.04 0.89 0.73 2d21A6 GLY 300 H 0.01 0.00 0.08 -0.55 8.43 7.97 2d21A6 GLY 300 HA2 0.01 0.01 0.26 -0.51 4.01 3.78 2d21A6 GLY 300 HA3 0.01 0.18 0.73 -0.51 4.01 4.42 2d21A6 ALA 301 H 0.02 0.51 0.30 -0.55 8.40 8.69 2d21A6 ALA 301 HA 0.03 0.08 0.70 -0.75 4.34 4.40 2d21A6 ALA 301 HB3 0.03 0.03 0.09 -0.04 1.41 1.53 2d21A6 VAL 302 H 0.09 0.17 0.13 -0.55 8.24 8.09 2d21A6 VAL 302 HA 0.06 0.15 0.89 -0.75 4.13 4.47 2d21A6 VAL 302 HB 0.08 -0.04 0.10 -0.04 2.12 2.21 2d21A6 VAL 302 HG13 0.11 0.05 -0.20 -0.04 0.97 0.89 2d21A6 VAL 302 HG23 0.17 0.01 -0.13 -0.04 0.95 0.95 2d21A6 ALA 303 H 0.02 0.34 -0.12 -0.55 8.40 8.09 2d21A6 ALA 303 HA 0.10 0.06 0.41 -0.75 4.34 4.15 2d21A6 ALA 303 HB3 -0.13 0.04 -0.19 -0.04 1.41 1.09 2d21A6 LEU 304 H -0.01 0.08 -0.15 -0.55 8.37 7.74 2d21A6 LEU 304 HA -0.14 0.27 0.56 -0.75 4.35 4.28 2d21A6 LEU 304 HB2 -0.05 0.14 0.11 -0.04 1.64 1.79 2d21A6 LEU 304 HB3 0.03 -0.06 0.14 -0.04 1.64 1.71 2d21A6 LEU 304 HG 0.02 -0.46 -0.06 -0.04 1.64 1.10 2d21A6 LEU 304 HD13 -0.04 0.11 0.07 -0.04 0.93 1.03 2d21A6 LEU 304 HD23 0.03 0.04 -0.01 -0.04 0.89 0.91 2d21A6 LYS 305 H -0.28 0.74 0.47 -0.55 8.42 8.80 2d21A6 LYS 305 HA -0.41 0.02 0.27 -0.75 4.32 3.45 2d21A6 LYS 305 HB2 -0.25 0.08 0.04 -0.04 1.87 1.70 2d21A6 LYS 305 HB3 -0.33 -0.03 0.04 -0.04 1.79 1.43 2d21A6 LYS 305 HG2 -2.14 -0.07 0.01 -0.04 1.46 -0.79 2d21A6 LYS 305 HG3 -0.62 0.08 -0.10 -0.04 1.46 0.77 2d21A6 LYS 305 HD2 -0.37 -0.05 -0.05 -0.04 1.69 1.18 2d21A6 LYS 305 HD3 -0.45 -0.08 -0.16 -0.04 1.68 0.95 2d21A6 LYS 305 HE2 -0.11 0.18 -0.19 -0.04 2.99 2.83 2d21A6 LYS 305 HE3 -0.19 0.01 -0.16 -0.04 2.99 2.61 2d21A6 SER 306 H -0.06 0.10 -0.40 -0.55 8.46 7.55 2d21A6 SER 306 HA -0.01 0.14 0.52 -0.75 4.49 4.40 2d21A6 SER 306 HB2 0.03 -0.06 0.09 -0.04 3.95 3.98 2d21A6 SER 306 HB3 0.03 0.03 0.01 -0.04 3.93 3.96 2d21A6 TYR 307 H 0.13 0.15 -0.04 -0.55 8.29 7.98 2d21A6 TYR 307 HA 0.00 0.10 0.40 -0.75 4.56 4.31 2d21A6 TYR 307 HB2 -0.01 -0.00 -0.02 -0.04 3.06 2.99 2d21A6 TYR 307 HB3 -0.00 0.06 0.01 -0.04 2.98 3.00 2d21A6 TYR 307 HD2 0.00 0.01 -0.05 -0.04 7.15 7.07 2d21A6 TYR 307 HE2 0.00 0.05 -0.02 -0.04 6.85 6.83 2d21A6 GLU 308 H 0.06 0.49 -0.38 -0.55 8.60 8.22 2d21A6 GLU 308 HA 0.01 -0.03 0.46 -0.75 4.29 3.97 2d21A6 GLU 308 HB2 0.19 0.13 -0.05 -0.04 2.09 2.32 2d21A6 GLU 308 HB3 0.16 0.11 -0.02 -0.04 1.99 2.20 2d21A6 GLU 308 HG2 0.34 0.07 -0.02 -0.04 2.34 2.69 2d21A6 GLU 308 HG3 0.16 0.02 -0.13 -0.04 2.34 2.34 2d21A6 GLU 309 H -0.01 0.41 -0.39 -0.55 8.60 8.06 2d21A6 GLU 309 HA -0.00 0.05 0.32 -0.75 4.29 3.90 2d21A6 GLU 309 HB2 -0.02 0.15 0.07 -0.04 2.09 2.25 2d21A6 GLU 309 HB3 -0.01 -0.04 0.07 -0.04 1.99 1.98 2d21A6 GLU 309 HG2 0.01 0.19 0.14 -0.04 2.34 2.64 2d21A6 GLU 309 HG3 0.00 -0.03 0.09 -0.04 2.34 2.37 2d21A6 GLU 310 H -0.20 0.24 -0.69 -0.55 8.60 7.40 2d21A6 GLU 310 HA -0.14 0.14 0.71 -0.75 4.29 4.26 2d21A6 GLU 310 HB2 -0.95 0.10 0.14 -0.04 2.09 1.34 2d21A6 GLU 310 HB3 -0.29 -0.02 0.03 -0.04 1.99 1.67 2d21A6 GLU 310 HG2 -0.11 0.04 0.03 -0.04 2.34 2.26 2d21A6 GLU 310 HG3 0.00 -0.07 -0.00 -0.04 2.34 2.23 2d21A6 LEU 311 H -0.39 0.48 0.14 -0.55 8.37 8.06 2d21A6 LEU 311 HA -0.17 0.08 0.53 -0.75 4.35 4.04 2d21A6 LEU 311 HB2 -0.13 0.00 0.21 -0.04 1.64 1.68 2d21A6 LEU 311 HB3 -0.05 -0.02 0.06 -0.04 1.64 1.60 2d21A6 LEU 311 HG -0.29 -0.03 0.02 -0.04 1.64 1.31 2d21A6 LEU 311 HD13 0.16 0.02 -0.04 -0.04 0.93 1.02 2d21A6 LEU 311 HD23 0.02 0.02 0.06 -0.04 0.89 0.95 2d21A6 ALA 312 H -0.07 0.67 -0.04 -0.55 8.40 8.41 2d21A6 ALA 312 HA -0.02 -0.09 0.29 -0.75 4.34 3.76 2d21A6 ALA 312 HB3 -0.00 -0.00 0.06 -0.04 1.41 1.42 2d21A6 LYS 313 H -0.06 0.30 -1.05 -0.55 8.42 7.05 2d21A6 LYS 313 HA -0.03 0.04 0.44 -0.75 4.32 4.02 2d21A6 LYS 313 HB2 -0.05 0.12 0.07 -0.04 1.87 1.96 2d21A6 LYS 313 HB3 -0.03 -0.09 0.09 -0.04 1.79 1.73 2d21A6 LYS 313 HG2 -0.03 -0.07 0.07 -0.04 1.46 1.39 2d21A6 LYS 313 HG3 -0.06 0.09 0.03 -0.04 1.46 1.48 2d21A6 LYS 313 HD2 -0.06 0.11 0.12 -0.04 1.69 1.81 2d21A6 LYS 313 HD3 -0.03 -0.09 0.06 -0.04 1.68 1.58 2d21A6 LYS 313 HE2 -0.03 -0.04 0.05 -0.04 2.99 2.93 2d21A6 LYS 313 HE3 -0.06 0.10 0.16 -0.04 2.99 3.16 2d21A6 ASP 314 H -0.03 0.28 -0.23 -0.55 8.40 7.87 2d21A6 ASP 314 HA -0.02 0.25 0.88 -0.75 4.63 4.99 2d21A6 ASP 314 HB2 -0.02 0.08 0.06 -0.04 2.71 2.79 2d21A6 ASP 314 HB3 -0.01 -0.19 0.02 -0.04 2.70 2.48 2d21A6 PRO 315 HA -0.01 0.07 0.36 -0.51 4.44 4.34 2d21A6 PRO 315 HB2 -0.01 0.05 0.02 -0.04 2.28 2.30 2d21A6 PRO 315 HB3 -0.01 0.07 0.11 -0.04 2.02 2.15 2d21A6 PRO 315 HG2 -0.01 0.03 0.08 -0.04 2.03 2.09 2d21A6 PRO 315 HG3 -0.01 0.09 0.09 -0.04 2.03 2.16 2d21A6 PRO 315 HD2 -0.01 0.12 0.25 -0.04 3.68 3.99 2d21A6 PRO 315 HD3 -0.01 0.22 0.20 -0.04 3.65 4.02 2d21A6 ARG 316 H -0.01 0.14 -0.28 -0.55 8.46 7.76 2d21A6 ARG 316 HA -0.01 0.10 0.39 -0.75 4.34 4.06 2d21A6 ARG 316 HB2 -0.01 0.02 0.07 -0.04 1.90 1.93 2d21A6 ARG 316 HB3 -0.01 0.01 -0.01 -0.04 1.80 1.75 2d21A6 ARG 316 HG2 -0.01 -0.00 -0.18 -0.04 1.67 1.45 2d21A6 ARG 316 HG3 -0.01 0.01 0.07 -0.04 1.67 1.70 2d21A6 ARG 316 HD2 -0.01 0.00 0.00 -0.04 3.22 3.18 2d21A6 ARG 316 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.16 2d21A6 ILE 317 H -0.01 0.31 -0.36 -0.55 8.25 7.64 2d21A6 ILE 317 HA -0.01 0.12 0.65 -0.75 4.18 4.19 2d21A6 ILE 317 HB -0.02 0.12 -0.02 -0.04 1.89 1.94 2d21A6 ILE 317 HG12 -0.02 -0.03 -0.05 -0.04 1.49 1.34 2d21A6 ILE 317 HG13 -0.01 0.01 -0.15 -0.04 1.21 1.01 2d21A6 ILE 317 HG23 -0.00 -0.04 -0.22 -0.04 0.93 0.63 2d21A6 ILE 317 HD13 -0.02 -0.02 -0.00 -0.04 0.88 0.80 2d21A6 ALA 318 H -0.02 0.40 0.07 -0.55 8.40 8.31 2d21A6 ALA 318 HA -0.02 0.02 0.35 -0.75 4.34 3.93 2d21A6 ALA 318 HB3 -0.02 0.05 0.10 -0.04 1.41 1.51 2d21A6 ALA 319 H -0.02 0.56 -0.14 -0.55 8.40 8.26 2d21A6 ALA 319 HA -0.03 0.01 0.32 -0.75 4.34 3.89 2d21A6 ALA 319 HB3 -0.02 0.03 0.05 -0.04 1.41 1.43 2d21A6 THR 320 H -0.02 0.33 -0.46 -0.55 8.28 7.59 2d21A6 THR 320 HA -0.02 0.06 0.55 -0.75 4.39 4.23 2d21A6 THR 320 HB -0.00 0.05 0.15 -0.04 4.32 4.48 2d21A6 THR 320 HG23 0.00 -0.03 0.06 -0.04 1.22 1.21 2d21A6 MET 321 H -0.03 0.49 -0.07 -0.55 8.47 8.32 2d21A6 MET 321 HA -0.05 0.02 0.42 -0.75 4.52 4.15 2d21A6 MET 321 HB2 -0.02 -0.02 0.07 -0.04 2.15 2.13 2d21A6 MET 321 HB3 -0.06 0.09 0.10 -0.04 2.03 2.12 2d21A6 MET 321 HG2 -0.10 0.00 -0.03 -0.04 2.63 2.46 2d21A6 MET 321 HG3 -0.18 -0.00 -0.08 -0.04 2.56 2.25 2d21A6 MET 321 HE3 -0.02 0.01 -0.05 -0.04 2.10 1.99 2d21A6 GLU 322 H -0.06 0.69 -0.02 -0.55 8.60 8.67 2d21A6 GLU 322 HA -0.10 -0.01 0.29 -0.75 4.29 3.72 2d21A6 GLU 322 HB2 -0.04 0.13 0.13 -0.04 2.09 2.26 2d21A6 GLU 322 HB3 -0.05 0.01 -0.02 -0.04 1.99 1.89 2d21A6 GLU 322 HG2 -0.05 0.10 -0.01 -0.04 2.34 2.34 2d21A6 GLU 322 HG3 -0.04 -0.04 -0.09 -0.04 2.34 2.14 2d21A6 ASN 323 H -0.05 0.39 -0.43 -0.55 8.53 7.89 2d21A6 ASN 323 HA -0.04 0.06 0.34 -0.75 4.76 4.37 2d21A6 ASN 323 HB2 -0.02 0.14 0.17 -0.04 2.88 3.13 2d21A6 ASN 323 HB3 -0.02 0.07 0.09 -0.04 2.79 2.89 2d21A6 ASN 323 HD21 -0.00 -0.05 0.04 -0.04 7.03 6.97 2d21A6 ASN 323 HD22 0.00 0.04 0.03 -0.04 7.74 7.77 2d21A6 ALA 324 H -0.08 0.40 -0.22 -0.55 8.40 7.96 2d21A6 ALA 324 HA -0.08 -0.03 0.34 -0.75 4.34 3.82 2d21A6 ALA 324 HB3 -0.09 0.00 0.03 -0.04 1.41 1.31 2d21A6 GLN 325 H -0.21 0.41 -0.43 -0.55 8.47 7.69 2d21A6 GLN 325 HA -0.41 -0.01 0.53 -0.75 4.36 3.72 2d21A6 GLN 325 HB2 -0.18 0.16 0.11 -0.04 2.15 2.21 2d21A6 GLN 325 HB3 -0.21 -0.06 0.06 -0.04 2.02 1.76 2d21A6 GLN 325 HG2 -0.39 0.17 -0.11 -0.04 2.40 2.04 2d21A6 GLN 325 HG3 -0.22 -0.06 -0.11 -0.04 2.39 1.96 2d21A6 GLN 325 HE21 -0.22 -0.00 -0.08 -0.04 6.97 6.63 2d21A6 GLN 325 HE22 -0.20 -0.06 -0.04 -0.04 7.69 7.36 2d21A6 LYS 326 H -0.11 0.37 -0.13 -0.55 8.42 7.99 2d21A6 LYS 326 HA -0.07 0.09 0.77 -0.75 4.32 4.35 2d21A6 LYS 326 HB2 -0.06 -0.05 0.11 -0.04 1.87 1.82 2d21A6 LYS 326 HB3 -0.07 -0.07 0.00 -0.04 1.79 1.61 2d21A6 LYS 326 HG2 -0.04 -0.09 -0.07 -0.04 1.46 1.22 2d21A6 LYS 326 HG3 -0.06 0.14 0.11 -0.04 1.46 1.62 2d21A6 LYS 326 HD2 -0.01 -0.07 -0.05 -0.04 1.69 1.52 2d21A6 LYS 326 HD3 -0.01 0.17 -0.33 -0.04 1.68 1.47 2d21A6 LYS 326 HE2 -0.02 -0.06 -0.05 -0.04 2.99 2.82 2d21A6 LYS 326 HE3 0.00 0.02 -0.07 -0.04 2.99 2.90 2d21A6 GLY 327 H -0.07 0.16 -0.22 -0.55 8.43 7.75 2d21A6 GLY 327 HA2 0.05 0.12 0.52 -0.51 4.01 4.19 2d21A6 GLY 327 HA3 -0.01 -0.02 0.33 -0.51 4.01 3.81 2d21A6 GLU 328 H -0.08 0.20 0.15 -0.55 8.60 8.32 2d21A6 GLU 328 HA -0.07 0.11 0.51 -0.75 4.29 4.09 2d21A6 GLU 328 HB2 -0.25 -0.07 -0.02 -0.04 2.09 1.71 2d21A6 GLU 328 HB3 -0.02 0.23 -0.01 -0.04 1.99 2.15 2d21A6 GLU 328 HG2 -0.89 -0.13 0.13 -0.04 2.34 1.40 2d21A6 GLU 328 HG3 -0.80 -0.03 0.01 -0.04 2.34 1.48 2d21A6 ILE 329 H -0.09 0.24 -0.03 -0.55 8.25 7.82 2d21A6 ILE 329 HA -0.05 0.07 0.76 -0.75 4.18 4.21 2d21A6 ILE 329 HB -0.04 0.02 0.07 -0.04 1.89 1.90 2d21A6 ILE 329 HG12 0.02 -0.03 -0.15 -0.04 1.49 1.29 2d21A6 ILE 329 HG13 -0.04 0.01 -0.20 -0.04 1.21 0.93 2d21A6 ILE 329 HG23 -0.02 0.03 -0.16 -0.04 0.93 0.74 2d21A6 ILE 329 HD13 0.14 0.01 -0.16 -0.04 0.88 0.83 2d21A6 MET 330 H -0.04 0.17 0.03 -0.55 8.47 8.09 2d21A6 MET 330 HA 0.17 0.01 0.31 -0.75 4.52 4.25 2d21A6 MET 330 HB2 -0.11 -0.06 0.03 -0.04 2.15 1.97 2d21A6 MET 330 HB3 0.02 0.14 0.00 -0.04 2.03 2.15 2d21A6 MET 330 HG2 0.37 -0.05 0.02 -0.04 2.63 2.93 2d21A6 MET 330 HG3 0.25 -0.01 -0.00 -0.04 2.56 2.75 2d21A6 MET 330 HE3 0.35 0.00 -0.22 -0.04 2.10 2.19 2d21A6 PRO 331 HA 0.07 0.08 0.37 -0.51 4.44 4.45 2d21A6 PRO 331 HB2 0.09 -0.06 -0.08 -0.04 2.28 2.19 2d21A6 PRO 331 HB3 0.08 0.06 -0.03 -0.04 2.02 2.10 2d21A6 PRO 331 HG2 0.23 -0.01 0.07 -0.04 2.03 2.28 2d21A6 PRO 331 HG3 -0.06 0.09 0.00 -0.04 2.03 2.02 2d21A6 PRO 331 HD2 0.14 0.06 0.10 -0.04 3.68 3.93 2d21A6 PRO 331 HD3 -0.18 0.05 -0.25 -0.04 3.65 3.23 2d21A6 ASN 332 H 0.08 0.20 0.09 -0.55 8.53 8.35 2d21A6 ASN 332 HA 0.09 0.13 0.78 -0.75 4.76 5.01 2d21A6 ASN 332 HB2 0.06 0.02 0.19 -0.04 2.88 3.11 2d21A6 ASN 332 HB3 0.04 -0.03 0.12 -0.04 2.79 2.88 2d21A6 ASN 332 HD21 0.06 -0.07 -0.01 -0.04 7.03 6.97 2d21A6 ASN 332 HD22 0.10 0.01 -0.07 -0.04 7.74 7.73 2d21A6 ILE 333 H 0.04 0.30 -0.04 -0.55 8.25 8.00 2d21A6 ILE 333 HA -0.03 0.26 0.70 -0.75 4.18 4.35 2d21A6 ILE 333 HB -0.22 -0.08 0.05 -0.04 1.89 1.60 2d21A6 ILE 333 HG12 -0.06 0.02 -0.19 -0.04 1.49 1.22 2d21A6 ILE 333 HG13 -0.21 -0.24 -0.05 -0.04 1.21 0.67 2d21A6 ILE 333 HG23 -0.00 0.03 -0.10 -0.04 0.93 0.82 2d21A6 ILE 333 HD13 -0.88 0.03 -0.11 -0.04 0.88 -0.12 2d21A6 PRO 334 HA -0.01 0.10 0.42 -0.51 4.44 4.44 2d21A6 PRO 334 HB2 -0.03 0.07 0.05 -0.04 2.28 2.33 2d21A6 PRO 334 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 2d21A6 PRO 334 HG2 -0.07 0.05 0.07 -0.04 2.03 2.05 2d21A6 PRO 334 HG3 -0.04 0.10 0.08 -0.04 2.03 2.13 2d21A6 PRO 334 HD2 -0.09 0.11 0.24 -0.04 3.68 3.90 2d21A6 PRO 334 HD3 -0.04 0.21 0.17 -0.04 3.65 3.96 2d21A6 GLN 335 H -0.15 0.14 -0.24 -0.55 8.47 7.67 2d21A6 GLN 335 HA 0.01 0.16 0.57 -0.75 4.36 4.34 2d21A6 GLN 335 HB2 -0.49 -0.03 0.01 -0.04 2.15 1.60 2d21A6 GLN 335 HB3 0.14 0.06 0.08 -0.04 2.02 2.26 2d21A6 GLN 335 HG2 -0.10 0.11 0.02 -0.04 2.40 2.39 2d21A6 GLN 335 HG3 -0.02 0.11 0.04 -0.04 2.39 2.48 2d21A6 GLN 335 HE21 -0.06 0.11 -0.03 -0.04 6.97 6.95 2d21A6 GLN 335 HE22 -0.08 -0.00 -0.00 -0.04 7.69 7.56 2d21A6 MET 336 H -0.09 0.30 -0.35 -0.55 8.47 7.79 2d21A6 MET 336 HA -0.14 0.06 0.44 -0.75 4.52 4.12 2d21A6 MET 336 HB2 0.04 0.19 0.13 -0.04 2.15 2.47 2d21A6 MET 336 HB3 0.18 0.02 -0.06 -0.04 2.03 2.13 2d21A6 MET 336 HG2 -0.01 -0.04 -0.06 -0.04 2.63 2.48 2d21A6 MET 336 HG3 0.08 0.06 -0.04 -0.04 2.56 2.62 2d21A6 MET 336 HE3 -1.68 -0.03 0.03 -0.04 2.10 0.38 2d21A6 SER 337 H 0.06 0.24 -0.19 -0.55 8.46 8.03 2d21A6 SER 337 HA 0.30 0.05 0.49 -0.75 4.49 4.58 2d21A6 SER 337 HB2 0.05 0.02 0.01 -0.04 3.95 3.99 2d21A6 SER 337 HB3 0.11 0.01 0.08 -0.04 3.93 4.09 2d21A6 ALA 338 H 0.06 0.28 -0.31 -0.55 8.40 7.89 2d21A6 ALA 338 HA 0.11 0.06 0.44 -0.75 4.34 4.20 2d21A6 ALA 338 HB3 0.06 0.05 0.08 -0.04 1.41 1.56 2d21A6 PHE 339 H 0.12 0.59 -0.15 -0.55 8.34 8.35 2d21A6 PHE 339 HA -0.18 0.00 0.34 -0.75 4.62 4.02 2d21A6 PHE 339 HB2 -0.19 0.10 0.13 -0.04 3.15 3.15 2d21A6 PHE 339 HB3 -0.54 0.12 0.24 -0.04 3.06 2.83 2d21A6 PHE 339 HD2 -1.16 0.02 -0.16 -0.04 7.28 5.95 2d21A6 PHE 339 HE2 -1.19 -0.01 -0.07 -0.04 7.38 6.07 2d21A6 PHE 339 HZ -2.24 0.03 -0.15 -0.04 7.32 4.91 2d21A6 TRP 340 H -0.03 0.57 -0.12 -0.55 7.97 7.84 2d21A6 TRP 340 HA 0.18 -0.03 0.36 -0.75 4.62 4.37 2d21A6 TRP 340 HB2 0.10 0.11 0.13 -0.04 3.23 3.53 2d21A6 TRP 340 HB3 0.14 -0.09 0.06 -0.04 3.23 3.29 2d21A6 TRP 340 HD1 0.13 -0.02 -0.03 -0.04 7.22 7.26 2d21A6 TRP 340 HE1 0.25 0.00 -0.03 -0.04 10.20 10.38 2d21A6 TRP 340 HE3 0.24 -0.08 -0.12 -0.04 7.59 7.58 2d21A6 TRP 340 HZ2 0.05 0.03 0.02 -0.04 7.44 7.50 2d21A6 TRP 340 HZ3 0.00 0.07 -0.16 -0.04 7.13 7.00 2d21A6 TRP 340 HH2 -0.70 0.05 0.01 -0.04 7.19 6.51 2d21A6 TYR 341 H 0.32 0.46 -0.23 -0.55 8.29 8.29 2d21A6 TYR 341 HA 0.04 -0.02 0.35 -0.75 4.56 4.18 2d21A6 TYR 341 HB2 0.02 0.05 0.14 -0.04 3.06 3.24 2d21A6 TYR 341 HB3 0.02 0.11 0.11 -0.04 2.98 3.18 2d21A6 TYR 341 HD2 -0.04 -0.00 -0.02 -0.04 7.15 7.05 2d21A6 TYR 341 HE2 -0.03 -0.01 -0.01 -0.04 6.85 6.76 2d21A6 ALA 342 H 0.04 0.48 -0.36 -0.55 8.40 8.01 2d21A6 ALA 342 HA -0.11 0.04 0.51 -0.75 4.34 4.03 2d21A6 ALA 342 HB3 -0.12 0.01 0.12 -0.04 1.41 1.38 2d21A6 VAL 343 H -0.17 0.59 0.14 -0.55 8.24 8.25 2d21A6 VAL 343 HA -0.11 -0.02 0.44 -0.75 4.13 3.68 2d21A6 VAL 343 HB 0.03 -0.03 0.04 -0.04 2.12 2.11 2d21A6 VAL 343 HG13 -0.16 -0.01 0.01 -0.04 0.97 0.77 2d21A6 VAL 343 HG23 -0.27 0.03 0.05 -0.04 0.95 0.73 2d21A6 ARG 344 H -0.01 0.51 -0.40 -0.55 8.46 8.01 2d21A6 ARG 344 HA 0.04 -0.01 0.37 -0.75 4.34 3.98 2d21A6 ARG 344 HB2 0.06 -0.07 0.11 -0.04 1.90 1.96 2d21A6 ARG 344 HB3 -0.14 0.18 0.09 -0.04 1.80 1.89 2d21A6 ARG 344 HG2 -0.17 0.04 -0.23 -0.04 1.67 1.27 2d21A6 ARG 344 HG3 -0.01 -0.03 0.07 -0.04 1.67 1.65 2d21A6 ARG 344 HD2 0.00 -0.07 -0.02 -0.04 3.22 3.09 2d21A6 ARG 344 HD3 -0.22 0.06 0.02 -0.04 3.22 3.04 2d21A6 THR 345 H -0.14 0.42 -0.42 -0.55 8.28 7.60 2d21A6 THR 345 HA -0.09 0.11 0.88 -0.75 4.39 4.54 2d21A6 THR 345 HB -0.17 0.16 0.18 -0.04 4.32 4.45 2d21A6 THR 345 HG23 -0.08 -0.02 -0.06 -0.04 1.22 1.02 2d21A6 ALA 346 H -0.09 0.38 0.08 -0.55 8.40 8.22 2d21A6 ALA 346 HA -0.06 -0.00 0.29 -0.75 4.34 3.82 2d21A6 ALA 346 HB3 -0.07 -0.00 -0.03 -0.04 1.41 1.27 2d21A6 VAL 347 H -0.03 0.65 -0.12 -0.55 8.24 8.20 2d21A6 VAL 347 HA -0.02 -0.01 0.38 -0.75 4.13 3.72 2d21A6 VAL 347 HB 0.01 0.10 0.05 -0.04 2.12 2.23 2d21A6 VAL 347 HG13 -0.00 0.02 -0.14 -0.04 0.97 0.80 2d21A6 VAL 347 HG23 0.04 -0.00 -0.03 -0.04 0.95 0.91 2d21A6 ILE 348 H -0.02 0.26 -0.22 -0.55 8.25 7.72 2d21A6 ILE 348 HA -0.03 0.02 0.34 -0.75 4.18 3.76 2d21A6 ILE 348 HB -0.03 0.10 0.15 -0.04 1.89 2.06 2d21A6 ILE 348 HG12 -0.01 0.09 0.14 -0.04 1.49 1.67 2d21A6 ILE 348 HG13 -0.01 0.01 0.13 -0.04 1.21 1.29 2d21A6 ILE 348 HG23 -0.02 -0.01 -0.01 -0.04 0.93 0.85 2d21A6 ILE 348 HD13 -0.01 -0.00 0.03 -0.04 0.88 0.86 2d21A6 ASN 349 H -0.04 0.66 -0.29 -0.55 8.53 8.31 2d21A6 ASN 349 HA -0.03 -0.00 0.32 -0.75 4.76 4.30 2d21A6 ASN 349 HB2 -0.04 0.15 0.10 -0.04 2.88 3.05 2d21A6 ASN 349 HB3 -0.03 -0.10 -0.12 -0.04 2.79 2.50 2d21A6 ASN 349 HD21 -0.04 -0.06 -0.08 -0.04 7.03 6.80 2d21A6 ASN 349 HD22 -0.04 -0.00 -0.08 -0.04 7.74 7.58 2d21A6 ALA 350 H -0.03 0.48 -0.14 -0.55 8.40 8.17 2d21A6 ALA 350 HA -0.03 0.22 0.56 -0.75 4.34 4.34 2d21A6 ALA 350 HB3 -0.03 -0.01 0.06 -0.04 1.41 1.39 2d21A6 ALA 351 H -0.03 0.66 0.04 -0.55 8.40 8.52 2d21A6 ALA 351 HA -0.04 0.00 0.39 -0.75 4.34 3.93 2d21A6 ALA 351 HB3 -0.04 -0.01 0.03 -0.04 1.41 1.35 2d21A6 SER 352 H -0.03 0.57 -0.22 -0.55 8.46 8.24 2d21A6 SER 352 HA -0.02 0.10 0.61 -0.75 4.49 4.42 2d21A6 SER 352 HB2 -0.02 -0.00 0.04 -0.04 3.95 3.92 2d21A6 SER 352 HB3 -0.02 -0.05 0.10 -0.04 3.93 3.92 2d21A6 GLY 353 H -0.02 0.28 -0.51 -0.55 8.43 7.64 2d21A6 GLY 353 HA2 -0.02 0.04 0.34 -0.51 4.01 3.87 2d21A6 GLY 353 HA3 -0.02 0.06 0.40 -0.51 4.01 3.95 2d21A6 ARG 354 H -0.02 0.39 -0.06 -0.55 8.46 8.22 2d21A6 ARG 354 HA -0.01 0.07 0.55 -0.75 4.34 4.19 2d21A6 ARG 354 HB2 -0.02 -0.00 0.10 -0.04 1.90 1.94 2d21A6 ARG 354 HB3 -0.02 -0.07 0.01 -0.04 1.80 1.67 2d21A6 ARG 354 HG2 -0.01 -0.01 -0.01 -0.04 1.67 1.59 2d21A6 ARG 354 HG3 -0.02 0.06 -0.10 -0.04 1.67 1.57 2d21A6 ARG 354 HD2 -0.02 0.00 -0.07 -0.04 3.22 3.09 2d21A6 ARG 354 HD3 -0.02 -0.05 -0.03 -0.04 3.22 3.08 2d21A6 GLN 355 H -0.02 0.41 -0.13 -0.55 8.47 8.18 2d21A6 GLN 355 HA -0.02 0.14 0.54 -0.75 4.36 4.26 2d21A6 GLN 355 HB2 -0.02 0.01 -0.37 -0.04 2.15 1.73 2d21A6 GLN 355 HB3 -0.03 -0.01 -0.19 -0.04 2.02 1.76 2d21A6 GLN 355 HG2 -0.02 -0.19 0.05 -0.04 2.40 2.19 2d21A6 GLN 355 HG3 -0.02 0.14 0.06 -0.04 2.39 2.53 2d21A6 GLN 355 HE21 -0.03 -0.09 -0.45 -0.04 6.97 6.36 2d21A6 GLN 355 HE22 -0.03 0.06 -0.25 -0.04 7.69 7.43 2d21A6 THR 356 H -0.02 0.10 0.08 -0.55 8.28 7.90 2d21A6 THR 356 HA -0.01 0.20 0.48 -0.75 4.39 4.30 2d21A6 THR 356 HB -0.01 -0.21 0.05 -0.04 4.32 4.11 2d21A6 THR 356 HG23 -0.01 -0.00 0.06 -0.04 1.22 1.23 2d21A6 VAL 357 H -0.01 0.22 0.17 -0.55 8.24 8.07 2d21A6 VAL 357 HA -0.03 0.15 0.35 -0.75 4.13 3.86 2d21A6 VAL 357 HB -0.01 -0.07 0.19 -0.04 2.12 2.19 2d21A6 VAL 357 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.86 2d21A6 VAL 357 HG23 -0.02 0.04 0.07 -0.04 0.95 1.01 2d21A6 ASP 358 H -0.02 0.14 -0.05 -0.55 8.40 7.93 2d21A6 ASP 358 HA -0.02 0.09 0.29 -0.75 4.63 4.24 2d21A6 ASP 358 HB2 -0.01 -0.04 0.07 -0.04 2.71 2.69 2d21A6 ASP 358 HB3 -0.02 0.07 -0.08 -0.04 2.70 2.63 2d21A6 GLU 359 H -0.02 0.09 -0.34 -0.55 8.60 7.78 2d21A6 GLU 359 HA -0.03 0.08 0.56 -0.75 4.29 4.15 2d21A6 GLU 359 HB2 -0.02 -0.02 0.08 -0.04 2.09 2.09 2d21A6 GLU 359 HB3 -0.02 0.06 0.01 -0.04 1.99 1.99 2d21A6 GLU 359 HG2 -0.02 -0.07 0.01 -0.04 2.34 2.22 2d21A6 GLU 359 HG3 -0.02 0.07 0.02 -0.04 2.34 2.38 2d21A6 ALA 360 H -0.03 0.59 -0.19 -0.55 8.40 8.22 2d21A6 ALA 360 HA -0.04 0.04 0.45 -0.75 4.34 4.03 2d21A6 ALA 360 HB3 -0.04 0.04 0.07 -0.04 1.41 1.44 2d21A6 LEU 361 H -0.04 0.46 -0.27 -0.55 8.37 7.97 2d21A6 LEU 361 HA -0.08 0.02 0.37 -0.75 4.35 3.91 2d21A6 LEU 361 HB2 -0.04 0.14 0.03 -0.04 1.64 1.72 2d21A6 LEU 361 HB3 -0.05 0.10 0.07 -0.04 1.64 1.73 2d21A6 LEU 361 HG -0.07 -0.06 -0.17 -0.04 1.64 1.29 2d21A6 LEU 361 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 2d21A6 LEU 361 HD23 -0.03 -0.00 -0.06 -0.04 0.89 0.75 2d21A6 LYS 362 H -0.05 0.51 -0.08 -0.55 8.42 8.25 2d21A6 LYS 362 HA -0.06 -0.01 0.38 -0.75 4.32 3.88 2d21A6 LYS 362 HB2 -0.03 0.07 0.14 -0.04 1.87 2.01 2d21A6 LYS 362 HB3 -0.04 0.07 0.22 -0.04 1.79 2.00 2d21A6 LYS 362 HG2 -0.03 -0.00 -0.02 -0.04 1.46 1.37 2d21A6 LYS 362 HG3 -0.03 0.00 -0.21 -0.04 1.46 1.18 2d21A6 LYS 362 HD2 -0.03 0.01 -0.02 -0.04 1.69 1.62 2d21A6 LYS 362 HD3 -0.04 -0.04 0.05 -0.04 1.68 1.60 2d21A6 LYS 362 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.92 2d21A6 LYS 362 HE3 -0.02 0.00 -0.02 -0.04 2.99 2.92 2d21A6 ASP 363 H -0.05 0.57 -0.15 -0.55 8.40 8.22 2d21A6 ASP 363 HA -0.04 0.02 0.33 -0.75 4.63 4.18 2d21A6 ASP 363 HB2 -0.04 0.09 0.13 -0.04 2.71 2.85 2d21A6 ASP 363 HB3 -0.06 0.14 0.14 -0.04 2.70 2.88 2d21A6 ALA 364 H -0.08 0.44 -0.26 -0.55 8.40 7.95 2d21A6 ALA 364 HA -0.10 0.02 0.32 -0.75 4.34 3.82 2d21A6 ALA 364 HB3 -0.15 0.02 -0.01 -0.04 1.41 1.23 2d21A6 GLN 365 H -0.12 0.70 -0.12 -0.55 8.47 8.38 2d21A6 GLN 365 HA -0.19 -0.04 0.38 -0.75 4.36 3.75 2d21A6 GLN 365 HB2 -0.14 0.03 0.05 -0.04 2.15 2.05 2d21A6 GLN 365 HB3 -0.09 0.15 0.13 -0.04 2.02 2.17 2d21A6 GLN 365 HG2 -0.16 -0.09 0.07 -0.04 2.40 2.18 2d21A6 GLN 365 HG3 -0.12 -0.25 0.03 -0.04 2.39 2.02 2d21A6 GLN 365 HE21 -0.10 -0.03 -0.03 -0.04 6.97 6.78 2d21A6 GLN 365 HE22 -0.05 0.09 0.02 -0.04 7.69 7.71 2d21A6 THR 366 H -0.07 0.58 -0.29 -0.55 8.28 7.96 2d21A6 THR 366 HA -0.04 -0.02 0.40 -0.75 4.39 3.98 2d21A6 THR 366 HB -0.04 0.19 0.17 -0.04 4.32 4.61 2d21A6 THR 366 HG23 -0.02 -0.02 -0.03 -0.04 1.22 1.10 2d21A6 ARG 367 H -0.05 0.48 -0.08 -0.55 8.46 8.25 2d21A6 ARG 367 HA -0.01 -0.01 0.33 -0.75 4.34 3.90 2d21A6 ARG 367 HB2 -0.04 0.09 0.04 -0.04 1.90 1.95 2d21A6 ARG 367 HB3 0.01 -0.05 0.06 -0.04 1.80 1.77 2d21A6 ARG 367 HG2 -0.02 -0.05 0.03 -0.04 1.67 1.59 2d21A6 ARG 367 HG3 -0.05 0.21 0.08 -0.04 1.67 1.87 2d21A6 ARG 367 HD2 -0.06 -0.06 0.02 -0.04 3.22 3.09 2d21A6 ARG 367 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.16 2d21A6 ILE 368 H -0.05 0.30 -0.53 -0.55 8.25 7.42 2d21A6 ILE 368 HA 0.05 0.04 0.60 -0.75 4.18 4.12 2d21A6 ILE 368 HB -0.07 0.13 0.16 -0.04 1.89 2.06 2d21A6 ILE 368 HG12 0.05 -0.06 -0.04 -0.04 1.49 1.39 2d21A6 ILE 368 HG13 -0.08 0.03 -0.16 -0.04 1.21 0.96 2d21A6 ILE 368 HG23 0.16 -0.01 -0.02 -0.04 0.93 1.02 2d21A6 ILE 368 HD13 -0.43 -0.02 -0.06 -0.04 0.88 0.33 2d21A6 THR 369 H -0.02 0.41 0.09 -0.55 8.28 8.21 2d21A6 THR 369 HA 0.02 0.07 0.54 -0.75 4.39 4.27 2d21A6 THR 369 HB -0.01 -0.03 0.08 -0.04 4.32 4.31 2d21A6 THR 369 HG23 -0.03 0.03 0.11 -0.04 1.22 1.29 2d21A6 LYS 370 H -0.01 0.44 -0.28 -0.55 8.42 8.01 2d21A6 LYS 370 HA -0.01 0.01 0.18 -0.75 4.32 3.75 2d21A6 LYS 370 HB2 -0.01 0.13 0.03 -0.04 1.87 1.97 2d21A6 LYS 370 HB3 -0.00 0.09 0.00 -0.04 1.79 1.84 2d21A6 LYS 370 HG2 -0.01 -0.03 0.00 -0.04 1.46 1.38 2d21A6 LYS 370 HG3 -0.01 -0.03 -0.01 -0.04 1.46 1.37 2d21A6 LYS 370 HD2 -0.01 0.02 0.01 -0.04 1.69 1.66 2d21A6 LYS 370 HD3 -0.01 0.01 0.02 -0.04 1.68 1.66 2d21A6 LYS 370 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2d21A6 LYS 370 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.93