============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 3 1.000 22.227 -9.360 21.959 -99.200 -91.000 PHE 8 1.000 6.541 -3.467 34.600 -99.200 -91.000 PHE 27 1.000 17.424 -5.260 19.844 -99.200 -91.000 PHE 33 1.000 11.026 -14.159 28.135 -99.200 -91.000 TYR 45 0.840 -0.185 -7.188 22.762 -99.200 -91.000 PHE 47 1.000 9.200 -9.273 18.281 -99.200 -91.000 PHE 60 1.000 10.148 -12.030 32.972 -99.200 -91.000 TRP 62 1.040 12.531 -9.148 36.774 -99.200 -91.000 TRP6 62 1.020 11.793 -7.635 35.101 -99.200 -91.000 HIS 66 0.900 20.755 -11.903 26.804 -99.200 -91.000 PHE 70 1.000 11.391 -2.080 33.779 -99.200 -91.000 TRP 80 1.040 7.751 -4.257 39.560 -99.200 -91.000 TRP6 80 1.020 8.279 -6.419 40.378 -99.200 -91.000 HIS 97 0.900 12.264 6.564 40.167 -99.200 -91.000 PHE 98 1.000 15.342 4.355 38.075 -99.200 -91.000 TYR 100 0.840 14.723 14.600 35.664 -99.200 -91.000 TYR 102 0.840 27.146 12.797 39.432 -99.200 -91.000 PHE 119 1.000 26.125 -1.488 30.142 -99.200 -91.000 TYR 143 0.840 26.706 21.896 22.065 -99.200 -91.000 TYR 156 0.840 3.402 25.766 20.798 -99.200 -91.000 PHE 174 1.000 16.085 24.159 44.999 -99.200 -91.000 TYR 179 0.840 11.688 29.752 33.283 -99.200 -91.000 TRP 188 1.040 17.176 20.939 36.448 -99.200 -91.000 TRP6 188 1.020 15.356 20.580 37.923 -99.200 -91.000 PHE 194 1.000 22.795 20.265 23.445 -99.200 -91.000 PHE 211 1.000 -0.735 20.993 18.823 -99.200 -91.000 TYR 212 0.840 -6.625 15.199 17.286 -99.200 -91.000 HIS 214 0.900 5.953 17.978 21.789 -99.200 -91.000 HIS 219 0.900 16.315 33.061 19.632 -99.200 -91.000 PHE 244 1.000 8.232 18.285 6.120 -99.200 -91.000 PHE 249 1.000 4.972 25.849 -8.932 -99.200 -91.000 HIS 261 0.900 12.671 9.421 9.839 -99.200 -91.000 HIS 273 0.900 21.338 38.095 17.329 -99.200 -91.000 HIS 274 0.900 22.340 36.152 9.133 -99.200 -91.000 TRP 280 1.040 7.845 27.238 14.965 -99.200 -91.000 TRP6 280 1.020 5.770 27.054 16.080 -99.200 -91.000 TYR 305 0.840 28.922 0.034 25.597 -99.200 -91.000 PHE 306 1.000 24.280 -6.854 26.607 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r00A1 GLN 4 HA -0.19 -0.12 0.23 -0.75 4.36 3.52 2r00A1 GLN 4 HB2 -0.07 -0.04 0.06 -0.04 2.15 2.05 2r00A1 GLN 4 HB3 -0.08 0.01 0.03 -0.04 2.02 1.94 2r00A1 GLN 4 HG2 -0.81 0.03 -0.17 -0.04 2.40 1.41 2r00A1 GLN 4 HG3 -0.25 -0.04 0.02 -0.04 2.39 2.08 2r00A1 GLN 4 HE21 0.12 0.19 0.00 -0.04 6.97 7.24 2r00A1 GLN 4 HE22 -0.04 -0.04 0.00 -0.04 7.69 7.56 2r00A1 GLN 5 H -0.35 0.13 0.13 -0.55 8.47 7.83 2r00A1 GLN 5 HA -0.17 0.33 0.89 -0.75 4.36 4.65 2r00A1 GLN 5 HB2 -0.09 -0.08 -0.04 -0.04 2.15 1.89 2r00A1 GLN 5 HB3 -0.01 -0.05 -0.35 -0.04 2.02 1.56 2r00A1 GLN 5 HG2 -0.04 0.13 -0.28 -0.04 2.40 2.17 2r00A1 GLN 5 HG3 -0.07 -0.03 -0.32 -0.04 2.39 1.93 2r00A1 GLN 5 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 2r00A1 GLN 5 HE22 -0.01 -0.08 -0.07 -0.04 7.69 7.48 2r00A1 PHE 6 H 0.19 0.71 0.34 -0.55 8.34 9.03 2r00A1 PHE 6 HA -0.12 0.17 0.96 -0.75 4.62 4.88 2r00A1 PHE 6 HB2 0.11 0.01 0.01 -0.04 3.15 3.24 2r00A1 PHE 6 HB3 -0.11 -0.01 0.04 -0.04 3.06 2.93 2r00A1 PHE 6 HD2 -0.44 0.09 0.01 -0.04 7.28 6.90 2r00A1 PHE 6 HE2 -0.10 0.07 -0.07 -0.04 7.38 7.23 2r00A1 PHE 6 HZ -0.06 0.06 -0.06 -0.04 7.32 7.23 2r00A1 ASN 7 H 0.80 0.21 0.27 -0.55 8.53 9.26 2r00A1 ASN 7 HA 0.28 0.18 1.01 -0.75 4.76 5.47 2r00A1 ASN 7 HB2 0.28 -0.03 0.36 -0.04 2.88 3.46 2r00A1 ASN 7 HB3 0.43 0.04 0.11 -0.04 2.79 3.32 2r00A1 ASN 7 HD21 0.18 -0.08 0.06 -0.04 7.03 7.15 2r00A1 ASN 7 HD22 0.13 0.29 0.15 -0.04 7.74 8.28 2r00A1 VAL 8 H 0.22 0.70 0.41 -0.55 8.24 9.03 2r00A1 VAL 8 HA 0.17 0.33 1.07 -0.75 4.13 4.95 2r00A1 VAL 8 HB 0.00 -0.05 0.03 -0.04 2.12 2.06 2r00A1 VAL 8 HG13 -0.10 -0.01 -0.19 -0.04 0.97 0.62 2r00A1 VAL 8 HG23 0.12 0.04 -0.33 -0.04 0.95 0.73 2r00A1 ALA 9 H 0.16 0.61 0.42 -0.55 8.40 9.05 2r00A1 ALA 9 HA 0.07 0.26 1.06 -0.75 4.34 4.96 2r00A1 ALA 9 HB3 0.07 -0.02 -0.05 -0.04 1.41 1.37 2r00A1 ILE 10 H -0.07 0.71 0.35 -0.55 8.25 8.70 2r00A1 ILE 10 HA 0.05 0.30 0.95 -0.75 4.18 4.73 2r00A1 ILE 10 HB -0.12 -0.04 0.16 -0.04 1.89 1.84 2r00A1 ILE 10 HG12 -0.08 0.02 -0.04 -0.04 1.49 1.35 2r00A1 ILE 10 HG13 -0.11 0.01 -0.34 -0.04 1.21 0.72 2r00A1 ILE 10 HG23 -0.08 -0.00 -0.22 -0.04 0.93 0.59 2r00A1 ILE 10 HD13 -0.18 0.03 -0.14 -0.04 0.88 0.54 2r00A1 PHE 11 H 0.15 0.72 0.23 -0.55 8.34 8.88 2r00A1 PHE 11 HA -0.26 0.13 0.95 -0.75 4.62 4.69 2r00A1 PHE 11 HB2 -0.37 0.10 -0.09 -0.04 3.15 2.75 2r00A1 PHE 11 HB3 -0.81 -0.04 0.07 -0.04 3.06 2.24 2r00A1 PHE 11 HD2 -0.98 0.01 -0.15 -0.04 7.28 6.12 2r00A1 PHE 11 HE2 -0.13 -0.01 -0.19 -0.04 7.38 7.01 2r00A1 PHE 11 HZ -0.17 0.01 -0.08 -0.04 7.32 7.04 2r00A1 GLY 12 H -0.08 0.48 0.26 -0.55 8.43 8.55 2r00A1 GLY 12 HA2 -0.28 -0.04 0.39 -0.51 4.01 3.57 2r00A1 GLY 12 HA3 -0.31 0.14 0.63 -0.51 4.01 3.96 2r00A1 ALA 13 H -0.09 0.51 0.20 -0.55 8.40 8.47 2r00A1 ALA 13 HA -0.16 0.07 0.08 -0.75 4.34 3.57 2r00A1 ALA 13 HB3 -0.16 0.06 -0.01 -0.04 1.41 1.26 2r00A1 THR 14 H -0.06 -0.04 -0.30 -0.55 8.28 7.33 2r00A1 THR 14 HA 0.07 0.27 0.71 -0.75 4.39 4.68 2r00A1 THR 14 HB 0.07 0.06 0.10 -0.04 4.32 4.51 2r00A1 THR 14 HG23 0.12 0.01 -0.10 -0.04 1.22 1.21 2r00A1 GLY 15 H -0.07 0.24 -0.23 -0.55 8.43 7.83 2r00A1 GLY 15 HA2 -0.02 0.15 0.71 -0.51 4.01 4.34 2r00A1 GLY 15 HA3 -0.05 0.03 0.38 -0.51 4.01 3.86 2r00A1 ALA 16 H -0.01 0.15 0.18 -0.55 8.40 8.17 2r00A1 ALA 16 HA -0.00 0.17 0.32 -0.75 4.34 4.07 2r00A1 ALA 16 HB3 0.00 0.02 0.11 -0.04 1.41 1.50 2r00A1 VAL 17 H -0.03 0.09 -0.05 -0.55 8.24 7.71 2r00A1 VAL 17 HA -0.02 0.10 0.55 -0.75 4.13 4.01 2r00A1 VAL 17 HB -0.03 0.05 0.11 -0.04 2.12 2.22 2r00A1 VAL 17 HG13 -0.01 0.04 -0.06 -0.04 0.97 0.89 2r00A1 VAL 17 HG23 -0.01 -0.01 0.07 -0.04 0.95 0.96 2r00A1 GLY 18 H -0.06 0.08 -0.21 -0.55 8.43 7.70 2r00A1 GLY 18 HA2 -0.07 0.02 0.25 -0.51 4.01 3.70 2r00A1 GLY 18 HA3 -0.10 0.24 0.12 -0.51 4.01 3.76 2r00A1 GLU 19 H -0.08 0.56 -0.25 -0.55 8.60 8.28 2r00A1 GLU 19 HA -0.22 0.08 0.43 -0.75 4.29 3.82 2r00A1 GLU 19 HB2 -0.03 -0.00 0.05 -0.04 2.09 2.07 2r00A1 GLU 19 HB3 -0.01 -0.04 -0.03 -0.04 1.99 1.87 2r00A1 GLU 19 HG2 -0.23 -0.01 0.03 -0.04 2.34 2.09 2r00A1 GLU 19 HG3 -0.09 0.15 -0.08 -0.04 2.34 2.28 2r00A1 THR 20 H -0.03 0.34 -0.32 -0.55 8.28 7.71 2r00A1 THR 20 HA 0.00 0.03 0.47 -0.75 4.39 4.14 2r00A1 THR 20 HB -0.01 0.09 0.10 -0.04 4.32 4.46 2r00A1 THR 20 HG23 0.01 -0.04 -0.13 -0.04 1.22 1.02 2r00A1 MET 21 H -0.04 0.59 -0.15 -0.55 8.47 8.32 2r00A1 MET 21 HA -0.03 -0.01 0.39 -0.75 4.52 4.13 2r00A1 MET 21 HB2 -0.07 0.14 0.12 -0.04 2.15 2.30 2r00A1 MET 21 HB3 -0.07 0.00 -0.06 -0.04 2.03 1.86 2r00A1 MET 21 HG2 -0.03 0.03 0.01 -0.04 2.63 2.60 2r00A1 MET 21 HG3 -0.03 0.04 -0.02 -0.04 2.56 2.52 2r00A1 MET 21 HE3 0.00 0.00 -0.13 -0.04 2.10 1.93 2r00A1 LEU 22 H -0.09 0.44 -0.21 -0.55 8.37 7.97 2r00A1 LEU 22 HA -0.08 0.04 0.43 -0.75 4.35 3.98 2r00A1 LEU 22 HB2 -0.19 -0.01 0.06 -0.04 1.64 1.46 2r00A1 LEU 22 HB3 -0.09 0.17 0.14 -0.04 1.64 1.81 2r00A1 LEU 22 HG 0.07 -0.04 -0.07 -0.04 1.64 1.56 2r00A1 LEU 22 HD13 -0.15 -0.01 -0.14 -0.04 0.93 0.59 2r00A1 LEU 22 HD23 0.15 0.04 -0.20 -0.04 0.89 0.84 2r00A1 GLU 23 H 0.02 0.42 -0.15 -0.55 8.60 8.34 2r00A1 GLU 23 HA 0.09 0.01 0.43 -0.75 4.29 4.07 2r00A1 GLU 23 HB2 0.03 0.13 0.18 -0.04 2.09 2.38 2r00A1 GLU 23 HB3 0.04 -0.05 0.02 -0.04 1.99 1.96 2r00A1 GLU 23 HG2 0.05 -0.02 0.07 -0.04 2.34 2.39 2r00A1 GLU 23 HG3 0.03 0.17 0.11 -0.04 2.34 2.61 2r00A1 VAL 24 H 0.03 0.53 -0.19 -0.55 8.24 8.06 2r00A1 VAL 24 HA 0.05 0.01 0.50 -0.75 4.13 3.94 2r00A1 VAL 24 HB 0.01 0.08 0.04 -0.04 2.12 2.21 2r00A1 VAL 24 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.82 2r00A1 VAL 24 HG23 0.02 0.02 -0.04 -0.04 0.95 0.92 2r00A1 LEU 25 H 0.06 0.64 -0.05 -0.55 8.37 8.47 2r00A1 LEU 25 HA 0.12 0.01 0.40 -0.75 4.35 4.12 2r00A1 LEU 25 HB2 0.18 0.12 0.14 -0.04 1.64 2.04 2r00A1 LEU 25 HB3 0.27 0.00 -0.06 -0.04 1.64 1.82 2r00A1 LEU 25 HG -0.09 0.05 0.01 -0.04 1.64 1.57 2r00A1 LEU 25 HD13 -0.20 -0.03 -0.15 -0.04 0.93 0.51 2r00A1 LEU 25 HD23 -0.42 -0.00 -0.07 -0.04 0.89 0.36 2r00A1 GLN 26 H 0.22 0.42 -0.29 -0.55 8.47 8.28 2r00A1 GLN 26 HA -0.08 0.08 0.55 -0.75 4.36 4.16 2r00A1 GLN 26 HB2 -0.02 -0.03 0.13 -0.04 2.15 2.19 2r00A1 GLN 26 HB3 0.05 0.10 0.22 -0.04 2.02 2.35 2r00A1 GLN 26 HG2 -0.06 0.07 -0.12 -0.04 2.40 2.24 2r00A1 GLN 26 HG3 -0.24 -0.03 0.09 -0.04 2.39 2.17 2r00A1 GLN 26 HE21 0.00 -0.02 0.02 -0.04 6.97 6.93 2r00A1 GLN 26 HE22 -0.01 0.05 0.02 -0.04 7.69 7.71 2r00A1 GLU 27 H 0.05 0.65 0.10 -0.55 8.60 8.85 2r00A1 GLU 27 HA 0.02 0.01 0.39 -0.75 4.29 3.95 2r00A1 GLU 27 HB2 0.04 0.03 0.21 -0.04 2.09 2.33 2r00A1 GLU 27 HB3 0.03 -0.05 0.04 -0.04 1.99 1.98 2r00A1 GLU 27 HG2 0.02 -0.03 0.07 -0.04 2.34 2.35 2r00A1 GLU 27 HG3 0.03 0.03 0.13 -0.04 2.34 2.49 2r00A1 ARG 28 H 0.08 0.66 -0.17 -0.55 8.46 8.47 2r00A1 ARG 28 HA 0.06 0.06 0.52 -0.75 4.34 4.22 2r00A1 ARG 28 HB2 0.12 0.07 0.02 -0.04 1.90 2.07 2r00A1 ARG 28 HB3 0.10 -0.02 0.05 -0.04 1.80 1.89 2r00A1 ARG 28 HG2 0.06 -0.03 -0.02 -0.04 1.67 1.64 2r00A1 ARG 28 HG3 0.06 0.01 0.03 -0.04 1.67 1.73 2r00A1 ARG 28 HD2 0.06 -0.08 -0.06 -0.04 3.22 3.10 2r00A1 ARG 28 HD3 0.08 0.03 -0.07 -0.04 3.22 3.23 2r00A1 GLU 29 H 0.06 0.38 -0.62 -0.55 8.60 7.88 2r00A1 GLU 29 HA 0.04 0.04 0.34 -0.75 4.29 3.96 2r00A1 GLU 29 HB2 0.02 0.08 -0.09 -0.04 2.09 2.06 2r00A1 GLU 29 HB3 0.01 -0.06 0.15 -0.04 1.99 2.05 2r00A1 GLU 29 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 2r00A1 GLU 29 HG3 0.01 0.14 -0.14 -0.04 2.34 2.32 2r00A1 PHE 30 H 0.25 0.35 -0.09 -0.55 8.34 8.30 2r00A1 PHE 30 HA 0.04 0.12 0.43 -0.75 4.62 4.46 2r00A1 PHE 30 HB2 0.06 -0.05 0.04 -0.04 3.15 3.15 2r00A1 PHE 30 HB3 0.12 -0.09 -0.00 -0.04 3.06 3.05 2r00A1 PHE 30 HD2 0.04 -0.04 -0.31 -0.04 7.28 6.93 2r00A1 PHE 30 HE2 -0.06 -0.03 -0.38 -0.04 7.38 6.87 2r00A1 PHE 30 HZ -0.31 0.03 -0.15 -0.04 7.32 6.85 2r00A1 PRO 31 HA 0.02 0.12 0.46 -0.51 4.44 4.53 2r00A1 PRO 31 HB2 0.01 0.09 0.35 -0.04 2.28 2.69 2r00A1 PRO 31 HB3 -0.07 0.06 0.17 -0.04 2.02 2.14 2r00A1 PRO 31 HG2 -0.31 -0.07 0.13 -0.04 2.03 1.74 2r00A1 PRO 31 HG3 -0.20 0.07 0.12 -0.04 2.03 1.98 2r00A1 PRO 31 HD2 -1.82 -0.01 0.13 -0.04 3.68 1.94 2r00A1 PRO 31 HD3 -0.39 0.21 0.23 -0.04 3.65 3.65 2r00A1 VAL 32 H 0.24 0.52 0.20 -0.55 8.24 8.66 2r00A1 VAL 32 HA 0.32 0.21 0.72 -0.75 4.13 4.63 2r00A1 VAL 32 HB 0.44 0.02 0.00 -0.04 2.12 2.55 2r00A1 VAL 32 HG13 0.15 0.01 -0.48 -0.04 0.97 0.61 2r00A1 VAL 32 HG23 0.41 0.00 -0.20 -0.04 0.95 1.12 2r00A1 ASP 33 H 0.17 0.57 0.05 -0.55 8.40 8.64 2r00A1 ASP 33 HA 0.06 0.13 0.64 -0.75 4.63 4.71 2r00A1 ASP 33 HB2 0.03 0.02 -0.23 -0.04 2.71 2.48 2r00A1 ASP 33 HB3 0.13 -0.11 -0.20 -0.04 2.70 2.48 2r00A1 GLU 34 H 0.12 0.12 0.07 -0.55 8.60 8.37 2r00A1 GLU 34 HA -0.06 0.23 0.95 -0.75 4.29 4.65 2r00A1 GLU 34 HB2 0.02 -0.00 -0.02 -0.04 2.09 2.04 2r00A1 GLU 34 HB3 0.00 -0.03 0.03 -0.04 1.99 1.96 2r00A1 GLU 34 HG2 -0.95 0.03 -0.15 -0.04 2.34 1.24 2r00A1 GLU 34 HG3 -0.23 0.04 0.06 -0.04 2.34 2.16 2r00A1 LEU 35 H -0.20 0.22 0.11 -0.55 8.37 7.95 2r00A1 LEU 35 HA -0.13 0.32 1.02 -0.75 4.35 4.82 2r00A1 LEU 35 HB2 -0.45 0.04 -0.07 -0.04 1.64 1.11 2r00A1 LEU 35 HB3 -0.32 -0.02 0.03 -0.04 1.64 1.29 2r00A1 LEU 35 HG -0.31 -0.04 -0.36 -0.04 1.64 0.89 2r00A1 LEU 35 HD13 -0.33 0.05 -0.11 -0.04 0.93 0.50 2r00A1 LEU 35 HD23 -1.06 -0.02 -0.14 -0.04 0.89 -0.38 2r00A1 PHE 36 H 0.07 0.80 0.41 -0.55 8.34 9.07 2r00A1 PHE 36 HA -0.10 0.17 0.89 -0.75 4.62 4.83 2r00A1 PHE 36 HB2 -0.19 -0.05 0.01 -0.04 3.15 2.88 2r00A1 PHE 36 HB3 -0.34 -0.03 -0.06 -0.04 3.06 2.58 2r00A1 PHE 36 HD2 0.10 0.02 -0.18 -0.04 7.28 7.19 2r00A1 PHE 36 HE2 0.08 0.04 -0.11 -0.04 7.38 7.34 2r00A1 PHE 36 HZ 0.04 0.03 -0.07 -0.04 7.32 7.28 2r00A1 LEU 37 H -0.06 0.31 0.08 -0.55 8.37 8.14 2r00A1 LEU 37 HA -0.14 0.20 1.05 -0.75 4.35 4.71 2r00A1 LEU 37 HB2 -0.04 0.02 -0.13 -0.04 1.64 1.44 2r00A1 LEU 37 HB3 -0.11 -0.06 -0.06 -0.04 1.64 1.37 2r00A1 LEU 37 HG -0.12 0.01 -0.38 -0.04 1.64 1.10 2r00A1 LEU 37 HD13 -0.08 0.02 -0.22 -0.04 0.93 0.61 2r00A1 LEU 37 HD23 -0.22 0.03 -0.15 -0.04 0.89 0.52 2r00A1 LEU 38 H -0.14 0.74 0.42 -0.55 8.37 8.84 2r00A1 LEU 38 HA -0.24 0.35 1.01 -0.75 4.35 4.71 2r00A1 LEU 38 HB2 -0.22 -0.12 0.09 -0.04 1.64 1.34 2r00A1 LEU 38 HB3 -0.53 -0.02 0.05 -0.04 1.64 1.09 2r00A1 LEU 38 HG -0.64 -0.02 -0.40 -0.04 1.64 0.53 2r00A1 LEU 38 HD13 -1.23 0.01 -0.20 -0.04 0.93 -0.53 2r00A1 LEU 38 HD23 -1.36 0.04 -0.25 -0.04 0.89 -0.72 2r00A1 ALA 39 H -0.10 0.68 0.36 -0.55 8.40 8.80 2r00A1 ALA 39 HA 0.10 -0.04 0.46 -0.75 4.34 4.11 2r00A1 ALA 39 HB3 -0.01 -0.00 0.05 -0.04 1.41 1.40 2r00A1 SER 40 H 0.02 0.10 0.17 -0.55 8.46 8.20 2r00A1 SER 40 HA 0.04 0.14 0.71 -0.75 4.49 4.62 2r00A1 SER 40 HB2 0.05 0.07 0.21 -0.04 3.95 4.24 2r00A1 SER 40 HB3 0.05 0.06 0.17 -0.04 3.93 4.17 2r00A1 GLU 41 H 0.03 0.20 0.19 -0.55 8.60 8.48 2r00A1 GLU 41 HA -0.00 0.09 0.39 -0.75 4.29 4.01 2r00A1 GLU 41 HB2 0.02 -0.02 0.18 -0.04 2.09 2.23 2r00A1 GLU 41 HB3 0.02 0.05 0.05 -0.04 1.99 2.07 2r00A1 GLU 41 HG2 0.01 0.07 0.04 -0.04 2.34 2.42 2r00A1 GLU 41 HG3 0.01 -0.02 0.09 -0.04 2.34 2.37 2r00A1 ARG 42 H 0.02 -0.02 -0.24 -0.55 8.46 7.66 2r00A1 ARG 42 HA 0.01 0.19 0.38 -0.75 4.34 4.16 2r00A1 SER 43 H 0.00 0.12 -0.40 -0.55 8.46 7.64 2r00A1 SER 43 HA 0.01 0.22 0.65 -0.75 4.49 4.61 2r00A1 SER 43 HB2 0.00 -0.04 -0.03 -0.04 3.95 3.84 2r00A1 SER 43 HB3 0.02 0.00 -0.01 -0.04 3.93 3.91 2r00A1 GLU 44 H -0.00 0.14 -0.40 -0.55 8.60 7.80 2r00A1 GLU 44 HA -0.01 -0.01 0.05 -0.75 4.29 3.57 2r00A1 GLU 44 HB2 -0.01 -0.13 -0.02 -0.04 2.09 1.88 2r00A1 GLU 44 HB3 -0.01 0.15 0.08 -0.04 1.99 2.18 2r00A1 GLU 44 HG2 -0.01 0.10 -0.18 -0.04 2.34 2.21 2r00A1 GLU 44 HG3 -0.02 0.03 0.08 -0.04 2.34 2.40 2r00A1 GLY 45 H -0.00 0.68 0.25 -0.55 8.43 8.81 2r00A1 GLY 45 HA2 -0.01 0.00 0.35 -0.51 4.01 3.84 2r00A1 GLY 45 HA3 -0.01 0.12 0.65 -0.51 4.01 4.26 2r00A1 LYS 46 H -0.00 0.34 -0.13 -0.55 8.42 8.07 2r00A1 LYS 46 HA -0.07 0.07 0.57 -0.75 4.32 4.14 2r00A1 LYS 46 HB2 -0.01 0.12 0.10 -0.04 1.87 2.04 2r00A1 LYS 46 HB3 0.03 -0.10 0.02 -0.04 1.79 1.69 2r00A1 LYS 46 HG2 -0.29 0.04 0.09 -0.04 1.46 1.25 2r00A1 LYS 46 HG3 -0.11 0.00 0.08 -0.04 1.46 1.39 2r00A1 LYS 46 HD2 -0.01 -0.04 0.01 -0.04 1.69 1.61 2r00A1 LYS 46 HD3 -0.05 -0.04 -0.06 -0.04 1.68 1.49 2r00A1 LYS 46 HE2 -0.10 -0.02 0.02 -0.04 2.99 2.85 2r00A1 LYS 46 HE3 -0.07 -0.03 0.01 -0.04 2.99 2.86 2r00A1 THR 47 H -0.18 0.14 0.22 -0.55 8.28 7.91 2r00A1 THR 47 HA -0.02 0.34 1.20 -0.75 4.39 5.16 2r00A1 THR 47 HB -0.04 0.01 -0.02 -0.04 4.32 4.23 2r00A1 THR 47 HG23 -0.02 0.04 -0.16 -0.04 1.22 1.04 2r00A1 TYR 48 H 0.11 0.65 0.38 -0.55 8.29 8.89 2r00A1 TYR 48 HA 0.01 0.13 0.81 -0.75 4.56 4.75 2r00A1 TYR 48 HB2 -0.00 0.01 -0.01 -0.04 3.06 3.01 2r00A1 TYR 48 HB3 0.03 0.04 -0.03 -0.04 2.98 2.98 2r00A1 TYR 48 HD2 -0.01 0.01 -0.12 -0.04 7.15 6.99 2r00A1 TYR 48 HE2 -0.01 -0.06 -0.12 -0.04 6.85 6.61 2r00A1 ARG 49 H 0.16 0.16 0.15 -0.55 8.46 8.38 2r00A1 ARG 49 HA 0.10 0.34 0.92 -0.75 4.34 4.95 2r00A1 ARG 49 HB2 0.04 -0.00 -0.04 -0.04 1.90 1.85 2r00A1 ARG 49 HB3 0.07 -0.03 0.11 -0.04 1.80 1.90 2r00A1 ARG 49 HG2 0.03 -0.12 -0.27 -0.04 1.67 1.26 2r00A1 ARG 49 HG3 0.03 0.09 -0.25 -0.04 1.67 1.50 2r00A1 ARG 49 HD2 0.01 0.02 -0.11 -0.04 3.22 3.11 2r00A1 ARG 49 HD3 0.02 -0.02 -0.06 -0.04 3.22 3.12 2r00A1 PHE 50 H 0.16 0.91 0.24 -0.55 8.34 9.10 2r00A1 PHE 50 HA 0.02 0.09 0.86 -0.75 4.62 4.83 2r00A1 PHE 50 HB2 0.00 -0.02 -0.23 -0.04 3.15 2.87 2r00A1 PHE 50 HB3 -0.00 0.04 -0.04 -0.04 3.06 3.02 2r00A1 PHE 50 HD2 -0.01 0.00 -0.10 -0.04 7.28 7.13 2r00A1 PHE 50 HE2 0.02 0.03 -0.15 -0.04 7.38 7.24 2r00A1 PHE 50 HZ 0.07 0.09 -0.16 -0.04 7.32 7.27 2r00A1 ASN 51 H -0.46 0.16 0.11 -0.55 8.53 7.80 2r00A1 ASN 51 HA -0.28 0.05 0.33 -0.75 4.76 4.11 2r00A1 ASN 51 HB2 -0.49 0.10 -0.12 -0.04 2.88 2.33 2r00A1 ASN 51 HB3 -0.22 0.05 0.25 -0.04 2.79 2.83 2r00A1 ASN 51 HD21 -0.22 0.11 0.00 -0.04 7.03 6.88 2r00A1 ASN 51 HD22 -0.22 0.06 -0.02 -0.04 7.74 7.51 2r00A1 GLY 52 H -0.07 0.01 -0.32 -0.55 8.43 7.51 2r00A1 GLY 52 HA2 -0.02 -0.04 0.21 -0.51 4.01 3.65 2r00A1 GLY 52 HA3 -0.03 0.12 0.38 -0.51 4.01 3.97 2r00A1 LYS 53 H 0.01 0.43 -0.49 -0.55 8.42 7.81 2r00A1 LYS 53 HA 0.02 0.14 0.88 -0.75 4.32 4.60 2r00A1 LYS 53 HB2 0.08 0.10 0.02 -0.04 1.87 2.03 2r00A1 LYS 53 HB3 0.03 -0.01 0.07 -0.04 1.79 1.84 2r00A1 LYS 53 HG2 0.01 -0.01 -0.13 -0.04 1.46 1.28 2r00A1 LYS 53 HG3 0.00 0.19 -0.12 -0.04 1.46 1.49 2r00A1 LYS 53 HD2 0.04 0.03 0.01 -0.04 1.69 1.73 2r00A1 LYS 53 HD3 0.02 -0.06 0.02 -0.04 1.68 1.61 2r00A1 LYS 53 HE2 0.00 -0.05 -0.00 -0.04 2.99 2.90 2r00A1 LYS 53 HE3 0.01 0.07 0.02 -0.04 2.99 3.05 2r00A1 THR 54 H 0.02 0.14 0.16 -0.55 8.28 8.06 2r00A1 THR 54 HA 0.05 0.22 0.84 -0.75 4.39 4.74 2r00A1 THR 54 HB 0.01 -0.01 0.12 -0.04 4.32 4.40 2r00A1 THR 54 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.03 2r00A1 VAL 55 H 0.08 0.77 0.40 -0.55 8.24 8.93 2r00A1 VAL 55 HA -0.01 0.19 0.95 -0.75 4.13 4.51 2r00A1 VAL 55 HB 0.04 -0.10 -0.01 -0.04 2.12 2.01 2r00A1 VAL 55 HG13 -0.10 0.01 -0.11 -0.04 0.97 0.72 2r00A1 VAL 55 HG23 0.03 0.03 -0.21 -0.04 0.95 0.76 2r00A1 ARG 56 H -0.00 0.21 0.13 -0.55 8.46 8.24 2r00A1 ARG 56 HA 0.03 0.29 0.95 -0.75 4.34 4.86 2r00A1 ARG 56 HB2 0.01 -0.01 -0.05 -0.04 1.90 1.80 2r00A1 ARG 56 HB3 0.01 -0.03 0.07 -0.04 1.80 1.81 2r00A1 ARG 56 HG2 0.00 0.10 -0.21 -0.04 1.67 1.53 2r00A1 ARG 56 HG3 -0.00 0.12 -0.14 -0.04 1.67 1.62 2r00A1 ARG 56 HD2 0.00 -0.04 -0.03 -0.04 3.22 3.11 2r00A1 ARG 56 HD3 -0.00 -0.00 0.02 -0.04 3.22 3.19 2r00A1 VAL 57 H 0.06 0.72 0.21 -0.55 8.24 8.68 2r00A1 VAL 57 HA -0.02 0.16 0.46 -0.75 4.13 3.97 2r00A1 VAL 57 HB 0.04 -0.03 0.10 -0.04 2.12 2.18 2r00A1 VAL 57 HG13 -0.01 -0.05 -0.38 -0.04 0.97 0.48 2r00A1 VAL 57 HG23 0.17 0.03 -0.14 -0.04 0.95 0.98 2r00A1 GLN 58 H -0.09 0.64 0.42 -0.55 8.47 8.88 2r00A1 GLN 58 HA -0.03 0.14 0.86 -0.75 4.36 4.57 2r00A1 GLN 58 HB2 -0.03 -0.05 0.09 -0.04 2.15 2.12 2r00A1 GLN 58 HB3 -0.00 0.10 0.00 -0.04 2.02 2.08 2r00A1 GLN 58 HG2 -0.10 0.14 0.10 -0.04 2.40 2.50 2r00A1 GLN 58 HG3 -0.20 -0.07 -0.19 -0.04 2.39 1.89 2r00A1 GLN 58 HE21 0.18 0.03 -0.05 -0.04 6.97 7.08 2r00A1 GLN 58 HE22 0.10 -0.00 -0.12 -0.04 7.69 7.63 2r00A1 ASN 59 H -0.05 0.19 0.11 -0.55 8.53 8.23 2r00A1 ASN 59 HA -0.09 0.19 0.50 -0.75 4.76 4.61 2r00A1 ASN 59 HB2 -0.03 0.08 0.08 -0.04 2.88 2.98 2r00A1 ASN 59 HB3 -0.04 0.04 0.14 -0.04 2.79 2.89 2r00A1 ASN 59 HD21 0.02 0.01 0.04 -0.04 7.03 7.07 2r00A1 ASN 59 HD22 0.00 0.12 0.03 -0.04 7.74 7.85 2r00A1 VAL 60 H -0.23 0.58 0.37 -0.55 8.24 8.41 2r00A1 VAL 60 HA -0.60 0.11 0.44 -0.75 4.13 3.32 2r00A1 VAL 60 HB -0.74 -0.06 0.10 -0.04 2.12 1.37 2r00A1 VAL 60 HG13 -0.50 0.01 -0.03 -0.04 0.97 0.41 2r00A1 VAL 60 HG23 -1.74 0.02 -0.06 -0.04 0.95 -0.86 2r00A1 GLU 61 H -0.15 -0.01 -0.20 -0.55 8.60 7.69 2r00A1 GLU 61 HA 0.19 0.12 0.32 -0.75 4.29 4.17 2r00A1 GLU 61 HB2 0.05 -0.05 -0.00 -0.04 2.09 2.05 2r00A1 GLU 61 HB3 0.15 0.09 0.02 -0.04 1.99 2.22 2r00A1 GLU 61 HG2 0.12 -0.13 0.06 -0.04 2.34 2.35 2r00A1 GLU 61 HG3 0.13 -0.02 0.04 -0.04 2.34 2.45 2r00A1 GLU 62 H -0.07 0.18 -0.43 -0.55 8.60 7.73 2r00A1 GLU 62 HA 0.01 0.21 0.78 -0.75 4.29 4.53 2r00A1 GLU 62 HB2 -0.03 0.01 0.03 -0.04 2.09 2.06 2r00A1 GLU 62 HB3 -0.02 0.03 0.10 -0.04 1.99 2.06 2r00A1 GLU 62 HG2 0.01 0.07 -0.08 -0.04 2.34 2.30 2r00A1 GLU 62 HG3 0.00 -0.17 -0.11 -0.04 2.34 2.02 2r00A1 PHE 63 H -0.12 0.28 -0.28 -0.55 8.34 7.66 2r00A1 PHE 63 HA -0.33 0.00 0.25 -0.75 4.62 3.79 2r00A1 PHE 63 HB2 -0.58 -0.03 -0.01 -0.04 3.15 2.49 2r00A1 PHE 63 HB3 -1.01 0.06 0.03 -0.04 3.06 2.09 2r00A1 PHE 63 HD2 -1.55 -0.02 -0.20 -0.04 7.28 5.47 2r00A1 PHE 63 HE2 -0.71 0.01 -0.15 -0.04 7.38 6.49 2r00A1 PHE 63 HZ -1.07 0.01 -0.18 -0.04 7.32 6.04 2r00A1 ASP 64 H -0.88 0.15 0.13 -0.55 8.40 7.26 2r00A1 ASP 64 HA -0.30 0.14 0.78 -0.75 4.63 4.50 2r00A1 ASP 64 HB2 -0.25 0.09 0.09 -0.04 2.71 2.59 2r00A1 ASP 64 HB3 -0.48 -0.01 0.18 -0.04 2.70 2.35 2r00A1 TRP 65 H 0.02 0.26 0.08 -0.55 7.97 7.79 2r00A1 TRP 65 HA -0.23 0.04 0.25 -0.75 4.62 3.93 2r00A1 TRP 65 HB2 -0.01 0.07 0.04 -0.04 3.23 3.30 2r00A1 TRP 65 HB3 0.05 0.08 0.03 -0.04 3.23 3.34 2r00A1 TRP 65 HD1 0.10 0.06 -0.04 -0.04 7.22 7.30 2r00A1 TRP 65 HE1 0.20 0.02 -0.07 -0.04 10.20 10.31 2r00A1 TRP 65 HE3 0.23 0.07 -0.12 -0.04 7.59 7.73 2r00A1 TRP 65 HZ2 -0.63 -0.06 -0.08 -0.04 7.44 6.63 2r00A1 TRP 65 HZ3 0.23 -0.04 -0.17 -0.04 7.13 7.11 2r00A1 TRP 65 HH2 -0.47 -0.13 -0.15 -0.04 7.19 6.40 2r00A1 SER 66 H -0.07 -0.00 -0.25 -0.55 8.46 7.59 2r00A1 SER 66 HA 0.01 0.29 0.42 -0.75 4.49 4.45 2r00A1 SER 66 HB2 -0.09 -0.10 -0.02 -0.04 3.95 3.70 2r00A1 SER 66 HB3 -0.04 0.04 0.02 -0.04 3.93 3.91 2r00A1 GLN 67 H -0.33 0.18 -0.56 -0.55 8.47 7.22 2r00A1 GLN 67 HA -0.12 0.07 0.42 -0.75 4.36 3.99 2r00A1 GLN 67 HB2 -0.75 0.06 -0.02 -0.04 2.15 1.40 2r00A1 GLN 67 HB3 -0.43 -0.06 -0.01 -0.04 2.02 1.48 2r00A1 GLN 67 HG2 -0.19 -0.01 -0.01 -0.04 2.40 2.16 2r00A1 GLN 67 HG3 -0.40 -0.05 -0.02 -0.04 2.39 1.88 2r00A1 GLN 67 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 2r00A1 GLN 67 HE22 0.01 0.02 -0.01 -0.04 7.69 7.67 2r00A1 VAL 68 H -0.02 0.49 -0.36 -0.55 8.24 7.81 2r00A1 VAL 68 HA 0.11 0.13 0.92 -0.75 4.13 4.53 2r00A1 VAL 68 HB 0.24 0.05 -0.18 -0.04 2.12 2.19 2r00A1 VAL 68 HG13 0.19 -0.05 -0.46 -0.04 0.97 0.61 2r00A1 VAL 68 HG23 0.33 -0.02 -0.18 -0.04 0.95 1.05 2r00A1 HIS 69 H 0.28 0.49 0.32 -0.55 8.41 8.95 2r00A1 HIS 69 HA 0.24 0.24 0.80 -0.75 4.63 5.15 2r00A1 HIS 69 HB2 0.14 0.03 0.20 -0.04 3.26 3.59 2r00A1 HIS 69 HB3 0.11 0.02 0.07 -0.04 3.20 3.35 2r00A1 HIS 69 HD2 0.44 0.06 0.04 -0.04 6.97 7.47 2r00A1 HIS 69 HE1 0.10 0.01 0.12 -0.04 7.75 7.93 2r00A1 ILE 70 H 0.21 0.34 0.28 -0.55 8.25 8.52 2r00A1 ILE 70 HA 0.07 0.31 0.96 -0.75 4.18 4.77 2r00A1 ILE 70 HB -0.02 -0.06 0.03 -0.04 1.89 1.80 2r00A1 ILE 70 HG12 -0.14 0.06 -0.06 -0.04 1.49 1.31 2r00A1 ILE 70 HG13 -0.17 -0.04 -0.60 -0.04 1.21 0.36 2r00A1 ILE 70 HG23 -0.08 -0.00 -0.14 -0.04 0.93 0.67 2r00A1 ILE 70 HD13 -0.46 -0.01 -0.09 -0.04 0.88 0.28 2r00A1 ALA 71 H 0.06 0.71 0.27 -0.55 8.40 8.89 2r00A1 ALA 71 HA 0.20 0.22 1.02 -0.75 4.34 5.03 2r00A1 ALA 71 HB3 0.46 -0.02 -0.12 -0.04 1.41 1.68 2r00A1 LEU 72 H 0.15 0.76 0.35 -0.55 8.37 9.08 2r00A1 LEU 72 HA 0.09 0.30 1.02 -0.75 4.35 5.00 2r00A1 LEU 72 HB2 0.02 -0.11 0.17 -0.04 1.64 1.68 2r00A1 LEU 72 HB3 0.02 -0.00 0.03 -0.04 1.64 1.65 2r00A1 LEU 72 HG -0.07 0.06 -0.07 -0.04 1.64 1.52 2r00A1 LEU 72 HD13 -0.12 -0.01 -0.10 -0.04 0.93 0.65 2r00A1 LEU 72 HD23 -0.10 0.02 -0.16 -0.04 0.89 0.61 2r00A1 PHE 73 H 0.27 0.72 0.32 -0.55 8.34 9.09 2r00A1 PHE 73 HA 0.13 0.10 0.89 -0.75 4.62 4.98 2r00A1 PHE 73 HB2 0.12 0.06 0.10 -0.04 3.15 3.38 2r00A1 PHE 73 HB3 0.13 -0.15 -0.09 -0.04 3.06 2.91 2r00A1 PHE 73 HD2 0.25 -0.10 -0.41 -0.04 7.28 6.99 2r00A1 PHE 73 HE2 0.29 -0.01 -0.25 -0.04 7.38 7.37 2r00A1 PHE 73 HZ -0.39 0.11 -0.24 -0.04 7.32 6.77 2r00A1 SER 74 H -0.08 0.81 0.22 -0.55 8.46 8.87 2r00A1 SER 74 HA 0.02 0.11 0.42 -0.75 4.49 4.28 2r00A1 SER 74 HB2 0.01 0.14 -0.15 -0.04 3.95 3.91 2r00A1 SER 74 HB3 -0.05 -0.04 0.08 -0.04 3.93 3.89 2r00A1 ALA 75 H -0.18 0.15 -0.02 -0.55 8.40 7.81 2r00A1 ALA 75 HA -0.20 0.21 0.97 -0.75 4.34 4.56 2r00A1 ALA 75 HB3 -0.72 -0.00 0.03 -0.04 1.41 0.67 2r00A1 GLY 76 H -0.04 0.12 -0.12 -0.55 8.43 7.85 2r00A1 GLY 76 HA2 -0.00 0.06 0.38 -0.51 4.01 3.94 2r00A1 GLY 76 HA3 -0.02 0.21 0.66 -0.51 4.01 4.35 2r00A1 GLY 77 H 0.03 0.22 0.19 -0.55 8.43 8.32 2r00A1 GLY 77 HA2 0.06 0.01 0.29 -0.51 4.01 3.86 2r00A1 GLY 77 HA3 0.04 0.12 0.36 -0.51 4.01 4.02 2r00A1 GLU 78 H 0.00 0.11 -0.07 -0.55 8.60 8.09 2r00A1 GLU 78 HA -0.12 0.15 0.44 -0.75 4.29 4.00 2r00A1 GLU 78 HB2 0.00 0.00 0.11 -0.04 2.09 2.16 2r00A1 GLU 78 HB3 -0.00 0.08 -0.01 -0.04 1.99 2.02 2r00A1 GLU 78 HG2 -0.05 0.02 0.01 -0.04 2.34 2.27 2r00A1 GLU 78 HG3 -0.01 -0.00 0.02 -0.04 2.34 2.31 2r00A1 LEU 79 H 0.06 0.13 -0.24 -0.55 8.37 7.76 2r00A1 LEU 79 HA 0.27 0.13 0.57 -0.75 4.35 4.56 2r00A1 LEU 79 HB2 0.04 0.14 -0.04 -0.04 1.64 1.73 2r00A1 LEU 79 HB3 0.39 -0.03 -0.05 -0.04 1.64 1.91 2r00A1 LEU 79 HG 0.12 -0.05 -0.01 -0.04 1.64 1.66 2r00A1 LEU 79 HD13 0.03 0.04 0.05 -0.04 0.93 1.01 2r00A1 LEU 79 HD23 0.41 0.01 0.00 -0.04 0.89 1.27 2r00A1 SER 80 H 0.15 0.32 -0.24 -0.55 8.46 8.15 2r00A1 SER 80 HA 0.66 0.03 0.50 -0.75 4.49 4.92 2r00A1 SER 80 HB2 0.17 0.02 0.06 -0.04 3.95 4.17 2r00A1 SER 80 HB3 0.43 0.06 -0.12 -0.04 3.93 4.26 2r00A1 ALA 81 H -0.20 0.52 -0.10 -0.55 8.40 8.07 2r00A1 ALA 81 HA -0.42 0.05 0.38 -0.75 4.34 3.60 2r00A1 ALA 81 HB3 -0.65 0.03 0.08 -0.04 1.41 0.83 2r00A1 LYS 82 H -0.02 0.26 -0.28 -0.55 8.42 7.83 2r00A1 LYS 82 HA -0.17 0.10 0.55 -0.75 4.32 4.05 2r00A1 LYS 82 HB2 -0.14 -0.00 0.10 -0.04 1.87 1.79 2r00A1 LYS 82 HB3 -0.13 -0.01 0.17 -0.04 1.79 1.79 2r00A1 LYS 82 HG2 -1.33 -0.00 -0.18 -0.04 1.46 -0.09 2r00A1 LYS 82 HG3 -0.47 0.03 0.00 -0.04 1.46 0.98 2r00A1 LYS 82 HD2 -0.15 -0.00 -0.01 -0.04 1.69 1.49 2r00A1 LYS 82 HD3 -0.12 -0.07 -0.01 -0.04 1.68 1.44 2r00A1 LYS 82 HE2 -0.37 -0.03 -0.04 -0.04 2.99 2.52 2r00A1 LYS 82 HE3 -0.38 0.05 -0.03 -0.04 2.99 2.59 2r00A1 TRP 83 H 0.33 0.55 0.01 -0.55 7.97 8.31 2r00A1 TRP 83 HA 0.04 0.12 0.37 -0.75 4.62 4.40 2r00A1 TRP 83 HB2 0.31 0.09 0.07 -0.04 3.23 3.67 2r00A1 TRP 83 HB3 0.04 -0.04 -0.04 -0.04 3.23 3.15 2r00A1 TRP 83 HD1 0.28 0.01 0.05 -0.04 7.22 7.53 2r00A1 TRP 83 HE1 0.12 -0.06 -0.04 -0.04 10.20 10.18 2r00A1 TRP 83 HE3 0.13 -0.04 -0.01 -0.04 7.59 7.64 2r00A1 TRP 83 HZ2 0.07 -0.07 -0.08 -0.04 7.44 7.31 2r00A1 TRP 83 HZ3 0.33 0.08 -0.05 -0.04 7.13 7.45 2r00A1 TRP 83 HH2 0.11 0.08 -0.04 -0.04 7.19 7.30 2r00A1 ALA 84 H 0.42 0.56 0.02 -0.55 8.40 8.86 2r00A1 ALA 84 HA -0.19 -0.02 0.42 -0.75 4.34 3.80 2r00A1 ALA 84 HB3 -0.04 0.01 0.01 -0.04 1.41 1.35 2r00A1 PRO 85 HA -0.09 0.15 0.58 -0.51 4.44 4.56 2r00A1 PRO 85 HB2 -0.04 0.05 -0.03 -0.04 2.28 2.22 2r00A1 PRO 85 HB3 -0.01 0.02 0.05 -0.04 2.02 2.04 2r00A1 PRO 85 HG2 0.09 0.17 0.07 -0.04 2.03 2.31 2r00A1 PRO 85 HG3 0.16 -0.02 0.02 -0.04 2.03 2.15 2r00A1 PRO 85 HD2 0.08 0.15 -0.52 -0.04 3.68 3.36 2r00A1 PRO 85 HD3 0.31 0.09 -0.01 -0.04 3.65 3.99 2r00A1 ILE 86 H -0.07 0.21 -0.39 -0.55 8.25 7.44 2r00A1 ILE 86 HA -0.09 0.07 0.43 -0.75 4.18 3.84 2r00A1 ILE 86 HB 0.07 0.07 0.14 -0.04 1.89 2.12 2r00A1 ILE 86 HG12 -0.10 -0.01 -0.00 -0.04 1.49 1.33 2r00A1 ILE 86 HG13 -0.17 0.15 0.07 -0.04 1.21 1.22 2r00A1 ILE 86 HG23 0.15 -0.01 -0.10 -0.04 0.93 0.93 2r00A1 ILE 86 HD13 -0.52 -0.03 -0.03 -0.04 0.88 0.25 2r00A1 ALA 87 H -0.47 0.51 0.01 -0.55 8.40 7.89 2r00A1 ALA 87 HA -0.80 -0.02 0.45 -0.75 4.34 3.22 2r00A1 ALA 87 HB3 -0.95 -0.01 -0.00 -0.04 1.41 0.41 2r00A1 ALA 88 H -0.24 0.56 -0.15 -0.55 8.40 8.02 2r00A1 ALA 88 HA -0.10 0.36 0.46 -0.75 4.34 4.31 2r00A1 ALA 88 HB3 -0.15 0.01 0.14 -0.04 1.41 1.37 2r00A1 GLU 89 H -0.10 0.51 -0.19 -0.55 8.60 8.27 2r00A1 GLU 89 HA -0.04 0.03 0.41 -0.75 4.29 3.93 2r00A1 GLU 89 HB2 -0.05 0.00 0.13 -0.04 2.09 2.13 2r00A1 GLU 89 HB3 -0.05 0.07 0.17 -0.04 1.99 2.14 2r00A1 GLU 89 HG2 -0.01 0.01 -0.19 -0.04 2.34 2.11 2r00A1 GLU 89 HG3 -0.02 -0.03 0.05 -0.04 2.34 2.29 2r00A1 ALA 90 H -0.05 0.35 -0.39 -0.55 8.40 7.76 2r00A1 ALA 90 HA 0.03 0.02 0.49 -0.75 4.34 4.13 2r00A1 ALA 90 HB3 0.10 -0.03 0.04 -0.04 1.41 1.49 2r00A1 GLY 91 H -0.00 0.52 -0.54 -0.55 8.43 7.86 2r00A1 GLY 91 HA2 0.04 0.04 0.25 -0.51 4.01 3.83 2r00A1 GLY 91 HA3 0.05 0.03 0.57 -0.51 4.01 4.16 2r00A1 VAL 92 H 0.04 0.27 -0.14 -0.55 8.24 7.86 2r00A1 VAL 92 HA 0.15 0.25 0.52 -0.75 4.13 4.29 2r00A1 VAL 92 HB 0.00 -0.14 -0.30 -0.04 2.12 1.64 2r00A1 VAL 92 HG13 0.21 -0.05 -0.52 -0.04 0.97 0.56 2r00A1 VAL 92 HG23 0.28 0.03 -0.14 -0.04 0.95 1.08 2r00A1 VAL 93 H 0.15 0.60 0.26 -0.55 8.24 8.69 2r00A1 VAL 93 HA 0.03 0.30 0.93 -0.75 4.13 4.64 2r00A1 VAL 93 HB 0.05 -0.06 0.13 -0.04 2.12 2.20 2r00A1 VAL 93 HG13 -0.05 -0.03 -0.24 -0.04 0.97 0.61 2r00A1 VAL 93 HG23 0.20 0.04 -0.05 -0.04 0.95 1.10 2r00A1 VAL 94 H -0.13 0.81 0.26 -0.55 8.24 8.63 2r00A1 VAL 94 HA -0.18 0.10 0.73 -0.75 4.13 4.03 2r00A1 VAL 94 HB -0.39 0.05 0.18 -0.04 2.12 1.93 2r00A1 VAL 94 HG13 -0.93 -0.07 -0.23 -0.04 0.97 -0.30 2r00A1 VAL 94 HG23 -0.43 0.04 -0.10 -0.04 0.95 0.42 2r00A1 ILE 95 H -0.08 0.80 0.43 -0.55 8.25 8.84 2r00A1 ILE 95 HA -0.07 0.32 0.96 -0.75 4.18 4.63 2r00A1 ILE 95 HB -0.04 -0.04 0.20 -0.04 1.89 1.97 2r00A1 ILE 95 HG12 -0.06 0.01 -0.08 -0.04 1.49 1.31 2r00A1 ILE 95 HG13 -0.08 0.01 -0.33 -0.04 1.21 0.77 2r00A1 ILE 95 HG23 -0.03 0.00 -0.10 -0.04 0.93 0.76 2r00A1 ILE 95 HD13 -0.09 0.03 -0.10 -0.04 0.88 0.68 2r00A1 ASP 96 H -0.03 0.73 0.30 -0.55 8.40 8.85 2r00A1 ASP 96 HA 0.10 0.04 0.75 -0.75 4.63 4.76 2r00A1 ASP 96 HB2 -0.01 0.13 -0.09 -0.04 2.71 2.69 2r00A1 ASP 96 HB3 0.12 0.02 0.13 -0.04 2.70 2.93 2r00A1 ASN 97 H 0.12 0.69 0.31 -0.55 8.53 9.10 2r00A1 ASN 97 HA 0.03 0.27 0.86 -0.75 4.76 5.17 2r00A1 ASN 97 HB2 0.03 0.05 0.05 -0.04 2.88 2.97 2r00A1 ASN 97 HB3 0.04 0.04 0.32 -0.04 2.79 3.15 2r00A1 ASN 97 HD21 0.00 -0.07 0.03 -0.04 7.03 6.95 2r00A1 ASN 97 HD22 0.01 -0.06 0.12 -0.04 7.74 7.76 2r00A1 THR 98 H 0.09 0.39 -0.36 -0.55 8.28 7.86 2r00A1 THR 98 HA 0.05 0.15 0.47 -0.75 4.39 4.31 2r00A1 THR 98 HB 0.08 -0.14 0.10 -0.04 4.32 4.31 2r00A1 THR 98 HG23 0.11 0.06 -0.43 -0.04 1.22 0.92 2r00A1 SER 99 H 0.07 0.08 0.11 -0.55 8.46 8.18 2r00A1 SER 99 HA 0.04 0.24 0.65 -0.75 4.49 4.67 2r00A1 SER 99 HB2 0.26 0.09 0.07 -0.04 3.95 4.33 2r00A1 SER 99 HB3 0.12 0.01 0.07 -0.04 3.93 4.09 2r00A1 HIS 100 H 0.11 -0.07 -0.28 -0.55 8.41 7.62 2r00A1 HIS 100 HA -0.08 0.07 0.05 -0.75 4.63 3.92 2r00A1 HIS 100 HB2 -0.13 -0.15 0.08 -0.04 3.26 3.03 2r00A1 HIS 100 HB3 -0.32 -0.01 -0.00 -0.04 3.20 2.83 2r00A1 HIS 100 HD2 -0.13 -0.08 -0.04 -0.04 6.97 6.67 2r00A1 HIS 100 HE1 -0.33 0.11 -0.04 -0.04 7.75 7.44 2r00A1 PHE 101 H 0.08 0.07 -0.23 -0.55 8.34 7.71 2r00A1 PHE 101 HA -0.16 0.21 0.71 -0.75 4.62 4.61 2r00A1 PHE 101 HB2 -0.03 -0.01 -0.10 -0.04 3.15 2.97 2r00A1 PHE 101 HB3 -0.06 0.11 0.01 -0.04 3.06 3.08 2r00A1 PHE 101 HD2 0.02 -0.03 -0.11 -0.04 7.28 7.12 2r00A1 PHE 101 HE2 0.10 0.01 -0.17 -0.04 7.38 7.28 2r00A1 PHE 101 HZ 0.10 0.13 -0.09 -0.04 7.32 7.42 2r00A1 ARG 102 H -0.17 0.26 -0.37 -0.55 8.46 7.62 2r00A1 ARG 102 HA -0.19 0.12 0.14 -0.75 4.34 3.65 2r00A1 ARG 102 HB2 -1.20 0.02 0.01 -0.04 1.90 0.68 2r00A1 ARG 102 HB3 -0.62 0.01 -0.04 -0.04 1.80 1.11 2r00A1 ARG 102 HG2 -0.14 0.07 -0.13 -0.04 1.67 1.43 2r00A1 ARG 102 HG3 -0.13 -0.05 0.05 -0.04 1.67 1.50 2r00A1 ARG 102 HD2 -0.10 -0.08 0.01 -0.04 3.22 3.01 2r00A1 ARG 102 HD3 -0.13 -0.09 -0.03 -0.04 3.22 2.93 2r00A1 TYR 103 H -0.17 0.05 -0.40 -0.55 8.29 7.22 2r00A1 TYR 103 HA -0.00 0.24 0.54 -0.75 4.56 4.58 2r00A1 TYR 103 HB2 -0.09 -0.01 -0.05 -0.04 3.06 2.87 2r00A1 TYR 103 HB3 -0.11 0.01 0.04 -0.04 2.98 2.87 2r00A1 TYR 103 HD2 0.07 0.08 -0.11 -0.04 7.15 7.15 2r00A1 TYR 103 HE2 0.12 0.03 -0.00 -0.04 6.85 6.96 2r00A1 ASP 104 H 0.00 0.19 -0.32 -0.55 8.40 7.73 2r00A1 ASP 104 HA 0.04 -0.02 0.49 -0.75 4.63 4.38 2r00A1 ASP 104 HB2 0.08 0.20 0.09 -0.04 2.71 3.04 2r00A1 ASP 104 HB3 0.06 -0.07 -0.03 -0.04 2.70 2.62 2r00A1 TYR 105 H 0.13 0.09 0.19 -0.55 8.29 8.15 2r00A1 TYR 105 HA -0.03 0.13 0.27 -0.75 4.56 4.18 2r00A1 TYR 105 HB2 -0.05 0.00 0.14 -0.04 3.06 3.12 2r00A1 TYR 105 HB3 -0.04 -0.07 0.11 -0.04 2.98 2.94 2r00A1 TYR 105 HD2 -0.03 -0.01 -0.04 -0.04 7.15 7.03 2r00A1 TYR 105 HE2 -0.02 -0.00 -0.03 -0.04 6.85 6.76 2r00A1 ASP 106 H 0.05 -0.04 -0.29 -0.55 8.40 7.57 2r00A1 ASP 106 HA -0.21 0.16 0.47 -0.75 4.63 4.29 2r00A1 ASP 106 HB2 -0.05 0.05 0.08 -0.04 2.71 2.74 2r00A1 ASP 106 HB3 0.02 -0.03 0.02 -0.04 2.70 2.66 2r00A1 ILE 107 H -0.06 0.50 -0.47 -0.55 8.25 7.68 2r00A1 ILE 107 HA -0.09 0.26 0.85 -0.75 4.18 4.45 2r00A1 ILE 107 HB -0.01 0.04 0.02 -0.04 1.89 1.90 2r00A1 ILE 107 HG12 -0.12 0.11 -0.15 -0.04 1.49 1.29 2r00A1 ILE 107 HG13 -0.04 -0.17 -0.36 -0.04 1.21 0.60 2r00A1 ILE 107 HG23 -0.07 0.04 -0.29 -0.04 0.93 0.57 2r00A1 ILE 107 HD13 -0.09 -0.04 -0.10 -0.04 0.88 0.60 2r00A1 PRO 108 HA -0.07 0.09 0.46 -0.51 4.44 4.41 2r00A1 PRO 108 HB2 -0.04 -0.09 -0.27 -0.04 2.28 1.84 2r00A1 PRO 108 HB3 -0.06 0.15 0.02 -0.04 2.02 2.09 2r00A1 PRO 108 HG2 -0.04 -0.14 0.10 -0.04 2.03 1.91 2r00A1 PRO 108 HG3 -0.03 0.02 -0.17 -0.04 2.03 1.81 2r00A1 PRO 108 HD2 -0.08 0.25 0.28 -0.04 3.68 4.09 2r00A1 PRO 108 HD3 -0.09 0.24 0.06 -0.04 3.65 3.83 2r00A1 LEU 109 H -0.06 0.24 0.10 -0.55 8.37 8.10 2r00A1 LEU 109 HA -0.06 0.20 0.84 -0.75 4.35 4.57 2r00A1 LEU 109 HB2 -0.09 0.17 -0.00 -0.04 1.64 1.68 2r00A1 LEU 109 HB3 -0.06 0.01 0.13 -0.04 1.64 1.67 2r00A1 LEU 109 HG -0.07 -0.05 -0.30 -0.04 1.64 1.18 2r00A1 LEU 109 HD13 -0.10 -0.02 -0.26 -0.04 0.93 0.51 2r00A1 LEU 109 HD23 -0.08 0.01 0.01 -0.04 0.89 0.79 2r00A1 VAL 110 H -0.05 0.51 0.13 -0.55 8.24 8.29 2r00A1 VAL 110 HA -0.04 0.20 0.59 -0.75 4.13 4.12 2r00A1 VAL 110 HB -0.03 0.01 -0.08 -0.04 2.12 1.99 2r00A1 VAL 110 HG13 -0.01 -0.00 -0.41 -0.04 0.97 0.51 2r00A1 VAL 110 HG23 -0.03 0.02 -0.43 -0.04 0.95 0.48 2r00A1 VAL 111 H -0.05 0.25 0.09 -0.55 8.24 7.98 2r00A1 VAL 111 HA -0.04 0.21 0.65 -0.75 4.13 4.20 2r00A1 VAL 111 HB -0.08 -0.00 0.14 -0.04 2.12 2.14 2r00A1 VAL 111 HG13 -0.05 -0.04 -0.10 -0.04 0.97 0.75 2r00A1 VAL 111 HG23 -0.08 0.02 -0.12 -0.04 0.95 0.73 2r00A1 PRO 112 HA 0.00 0.05 0.19 -0.51 4.44 4.18 2r00A1 PRO 112 HB2 0.00 0.04 -0.07 -0.04 2.28 2.20 2r00A1 PRO 112 HB3 0.01 0.11 -0.04 -0.04 2.02 2.06 2r00A1 PRO 112 HG2 -0.00 0.04 -0.09 -0.04 2.03 1.93 2r00A1 PRO 112 HG3 -0.00 0.06 -0.16 -0.04 2.03 1.88 2r00A1 PRO 112 HD2 -0.02 0.07 0.11 -0.04 3.68 3.80 2r00A1 PRO 112 HD3 -0.02 0.26 -0.06 -0.04 3.65 3.78 2r00A1 GLU 113 H -0.01 0.04 -0.35 -0.55 8.60 7.73 2r00A1 GLU 113 HA 0.01 0.14 0.55 -0.75 4.29 4.23 2r00A1 GLU 113 HB2 -0.01 -0.06 -0.03 -0.04 2.09 1.95 2r00A1 GLU 113 HB3 0.00 0.07 0.08 -0.04 1.99 2.10 2r00A1 GLU 113 HG2 -0.02 0.16 -0.00 -0.04 2.34 2.45 2r00A1 GLU 113 HG3 -0.01 0.01 -0.06 -0.04 2.34 2.23 2r00A1 VAL 114 H -0.02 0.37 -0.27 -0.55 8.24 7.77 2r00A1 VAL 114 HA 0.02 0.23 0.86 -0.75 4.13 4.49 2r00A1 VAL 114 HB -0.09 -0.07 0.09 -0.04 2.12 2.01 2r00A1 VAL 114 HG13 -0.12 0.02 -0.17 -0.04 0.97 0.66 2r00A1 VAL 114 HG23 -0.06 -0.04 -0.27 -0.04 0.95 0.54 2r00A1 ASN 115 H -0.02 0.37 0.12 -0.55 8.53 8.45 2r00A1 ASN 115 HA 0.02 0.26 0.96 -0.75 4.76 5.24 2r00A1 ASN 115 HB2 -0.00 -0.05 0.18 -0.04 2.88 2.97 2r00A1 ASN 115 HB3 -0.02 0.25 -0.03 -0.04 2.79 2.96 2r00A1 ASN 115 HD21 -0.05 0.53 0.23 -0.04 7.03 7.70 2r00A1 ASN 115 HD22 -0.03 0.09 0.12 -0.04 7.74 7.88 2r00A1 PRO 116 HA 0.03 0.00 0.21 -0.51 4.44 4.17 2r00A1 PRO 116 HB2 0.05 0.02 -0.04 -0.04 2.28 2.27 2r00A1 PRO 116 HB3 0.03 0.09 0.11 -0.04 2.02 2.22 2r00A1 PRO 116 HG2 0.04 -0.03 -0.03 -0.04 2.03 1.97 2r00A1 PRO 116 HG3 0.03 0.14 -0.01 -0.04 2.03 2.14 2r00A1 PRO 116 HD2 0.03 0.27 -0.27 -0.04 3.68 3.66 2r00A1 PRO 116 HD3 0.02 0.17 -0.39 -0.04 3.65 3.41 2r00A1 GLU 117 H 0.04 0.18 -0.37 -0.55 8.60 7.91 2r00A1 GLU 117 HA 0.09 0.08 0.38 -0.75 4.29 4.08 2r00A1 GLU 117 HB2 0.04 0.03 0.02 -0.04 2.09 2.13 2r00A1 GLU 117 HB3 0.04 0.04 -0.11 -0.04 1.99 1.92 2r00A1 GLU 117 HG2 0.06 -0.00 0.04 -0.04 2.34 2.40 2r00A1 GLU 117 HG3 0.05 0.02 0.01 -0.04 2.34 2.37 2r00A1 ALA 118 H 0.02 0.46 -0.31 -0.55 8.40 8.02 2r00A1 ALA 118 HA -0.01 0.05 0.37 -0.75 4.34 4.00 2r00A1 ALA 118 HB3 -0.02 0.02 0.03 -0.04 1.41 1.40 2r00A1 ILE 119 H 0.03 0.44 -0.46 -0.55 8.25 7.72 2r00A1 ILE 119 HA -0.02 -0.00 0.25 -0.75 4.18 3.66 2r00A1 ILE 119 HB 0.10 0.17 0.03 -0.04 1.89 2.15 2r00A1 ILE 119 HG12 -0.01 -0.07 -0.05 -0.04 1.49 1.32 2r00A1 ILE 119 HG13 0.02 -0.01 0.01 -0.04 1.21 1.19 2r00A1 ILE 119 HG23 -0.12 -0.01 -0.13 -0.04 0.93 0.63 2r00A1 ILE 119 HD13 0.04 0.00 0.01 -0.04 0.88 0.89 2r00A1 ALA 120 H 0.02 0.43 -0.39 -0.55 8.40 7.91 2r00A1 ALA 120 HA -0.47 0.05 0.34 -0.75 4.34 3.52 2r00A1 ALA 120 HB3 0.10 0.01 0.08 -0.04 1.41 1.56 2r00A1 GLU 121 H -0.06 0.51 -0.29 -0.55 8.60 8.21 2r00A1 GLU 121 HA -0.16 0.03 0.50 -0.75 4.29 3.90 2r00A1 GLU 121 HB2 -0.08 0.14 0.10 -0.04 2.09 2.20 2r00A1 GLU 121 HB3 -0.12 0.02 0.17 -0.04 1.99 2.02 2r00A1 GLU 121 HG2 -0.06 -0.04 0.04 -0.04 2.34 2.24 2r00A1 GLU 121 HG3 -0.08 0.00 0.03 -0.04 2.34 2.25 2r00A1 PHE 122 H 0.03 0.54 -0.53 -0.55 8.34 7.83 2r00A1 PHE 122 HA -0.13 0.13 0.41 -0.75 4.62 4.27 2r00A1 PHE 122 HB2 -0.11 -0.12 -0.06 -0.04 3.15 2.82 2r00A1 PHE 122 HB3 -0.17 0.20 0.09 -0.04 3.06 3.14 2r00A1 PHE 122 HD2 -0.29 0.09 -0.08 -0.04 7.28 6.95 2r00A1 PHE 122 HE2 -0.29 0.01 -0.05 -0.04 7.38 7.01 2r00A1 PHE 122 HZ -0.13 0.07 -0.01 -0.04 7.32 7.21 2r00A1 ARG 123 H -0.82 0.33 -0.30 -0.55 8.46 7.12 2r00A1 ARG 123 HA -0.55 0.09 0.39 -0.75 4.34 3.51 2r00A1 ARG 123 HB2 -0.40 -0.01 0.10 -0.04 1.90 1.55 2r00A1 ARG 123 HB3 -1.11 0.03 0.07 -0.04 1.80 0.75 2r00A1 ARG 123 HG2 -0.47 0.24 0.12 -0.04 1.67 1.52 2r00A1 ARG 123 HG3 -0.29 -0.02 -0.12 -0.04 1.67 1.19 2r00A1 ARG 123 HD2 -0.19 -0.04 -0.01 -0.04 3.22 2.94 2r00A1 ARG 123 HD3 -0.27 0.02 0.03 -0.04 3.22 2.96 2r00A1 ASN 124 H -0.23 0.40 -0.30 -0.55 8.53 7.85 2r00A1 ASN 124 HA -0.13 0.01 0.52 -0.75 4.76 4.40 2r00A1 ASN 124 HB2 -0.12 0.23 0.24 -0.04 2.88 3.19 2r00A1 ASN 124 HB3 -0.09 -0.12 0.07 -0.04 2.79 2.61 2r00A1 ASN 124 HD21 -0.13 -0.13 0.08 -0.04 7.03 6.81 2r00A1 ASN 124 HD22 -0.13 0.49 0.20 -0.04 7.74 8.26 2r00A1 ARG 125 H -0.13 0.15 -0.07 -0.55 8.46 7.86 2r00A1 ARG 125 HA -0.09 0.18 0.77 -0.75 4.34 4.44 2r00A1 ARG 125 HB2 -0.14 0.04 -0.05 -0.04 1.90 1.71 2r00A1 ARG 125 HB3 -0.16 -0.06 0.01 -0.04 1.80 1.54 2r00A1 ARG 125 HG2 -0.07 0.17 -0.48 -0.04 1.67 1.25 2r00A1 ARG 125 HG3 -0.07 -0.05 -0.22 -0.04 1.67 1.29 2r00A1 ARG 125 HD2 -0.08 -0.00 -0.01 -0.04 3.22 3.09 2r00A1 ARG 125 HD3 -0.04 0.03 -0.03 -0.04 3.22 3.14 2r00A1 ASN 126 H -0.09 0.37 0.16 -0.55 8.53 8.42 2r00A1 ASN 126 HA 0.11 0.11 0.35 -0.75 4.76 4.57 2r00A1 ASN 126 HB2 -0.06 0.09 0.05 -0.04 2.88 2.92 2r00A1 ASN 126 HB3 -0.01 0.19 0.36 -0.04 2.79 3.29 2r00A1 ASN 126 HD21 0.02 -0.06 -0.06 -0.04 7.03 6.89 2r00A1 ASN 126 HD22 -0.01 0.26 0.03 -0.04 7.74 7.98 2r00A1 ILE 127 H -0.10 0.18 -0.07 -0.55 8.25 7.71 2r00A1 ILE 127 HA -0.18 0.22 0.89 -0.75 4.18 4.35 2r00A1 ILE 127 HB -0.36 -0.03 -0.09 -0.04 1.89 1.37 2r00A1 ILE 127 HG12 -0.45 -0.07 -0.10 -0.04 1.49 0.83 2r00A1 ILE 127 HG13 -0.30 0.22 -0.73 -0.04 1.21 0.36 2r00A1 ILE 127 HG23 -0.49 -0.04 -0.19 -0.04 0.93 0.16 2r00A1 ILE 127 HD13 -0.87 -0.04 -0.19 -0.04 0.88 -0.26 2r00A1 ILE 128 H -0.11 0.73 0.34 -0.55 8.25 8.67 2r00A1 ILE 128 HA -0.06 0.27 0.72 -0.75 4.18 4.36 2r00A1 ILE 128 HB -0.06 -0.10 0.06 -0.04 1.89 1.75 2r00A1 ILE 128 HG12 0.01 0.08 -0.05 -0.04 1.49 1.48 2r00A1 ILE 128 HG13 0.00 -0.07 -0.37 -0.04 1.21 0.74 2r00A1 ILE 128 HG23 -0.04 0.01 -0.17 -0.04 0.93 0.69 2r00A1 ILE 128 HD13 -0.08 -0.00 -0.11 -0.04 0.88 0.64 2r00A1 ALA 129 H -0.05 0.85 0.20 -0.55 8.40 8.86 2r00A1 ALA 129 HA -0.00 -0.03 0.77 -0.75 4.34 4.33 2r00A1 ALA 129 HB3 -0.03 0.02 -0.16 -0.04 1.41 1.20 2r00A1 ASN 130 H 0.00 0.61 0.30 -0.55 8.53 8.90 2r00A1 ASN 130 HA -0.03 0.20 0.65 -0.75 4.76 4.82 2r00A1 ASN 130 HB2 -0.00 -0.07 -0.17 -0.04 2.88 2.59 2r00A1 ASN 130 HB3 0.00 -0.12 0.07 -0.04 2.79 2.71 2r00A1 ASN 130 HD21 -0.01 0.20 0.09 -0.04 7.03 7.27 2r00A1 ASN 130 HD22 -0.00 -0.15 -0.05 -0.04 7.74 7.50 2r00A1 PRO 131 HA -0.05 0.10 0.45 -0.51 4.44 4.43 2r00A1 PRO 131 HB2 -0.04 -0.02 -0.17 -0.04 2.28 2.01 2r00A1 PRO 131 HB3 -0.05 0.03 -0.04 -0.04 2.02 1.91 2r00A1 PRO 131 HG2 -0.06 0.02 -0.27 -0.04 2.03 1.68 2r00A1 PRO 131 HG3 -0.06 0.07 -0.29 -0.04 2.03 1.71 2r00A1 PRO 131 HD2 -0.03 0.02 0.08 -0.04 3.68 3.70 2r00A1 PRO 131 HD3 -0.04 0.33 0.23 -0.04 3.65 4.13 2r00A1 ASN 132 H -0.02 0.14 0.06 -0.55 8.53 8.17 2r00A1 ASN 132 HA -0.02 0.08 0.47 -0.75 4.76 4.53 2r00A1 ASN 132 HB2 0.02 0.12 0.08 -0.04 2.88 3.05 2r00A1 ASN 132 HB3 -0.01 -0.11 0.04 -0.04 2.79 2.67 2r00A1 ASN 132 HD21 -0.00 0.03 -0.02 -0.04 7.03 7.00 2r00A1 ASN 132 HD22 0.03 0.05 -0.02 -0.04 7.74 7.76 2r00A1 CYS 133 H -0.05 0.16 0.12 -0.55 8.50 8.18 2r00A1 CYS 133 HA -0.04 0.14 0.28 -0.75 4.58 4.21 2r00A1 CYS 133 HB2 -0.05 0.04 0.12 -0.04 2.97 3.04 2r00A1 CYS 133 HB3 -0.14 -0.03 0.03 -0.04 2.97 2.79 2r00A1 SER 134 H -0.15 0.05 -0.25 -0.55 8.46 7.56 2r00A1 SER 134 HA 0.04 0.11 0.33 -0.75 4.49 4.21 2r00A1 SER 134 HB2 -0.05 -0.08 -0.04 -0.04 3.95 3.74 2r00A1 SER 134 HB3 0.03 0.09 -0.19 -0.04 3.93 3.83 2r00A1 THR 135 H -0.03 0.09 -0.37 -0.55 8.28 7.42 2r00A1 THR 135 HA -0.03 0.09 0.35 -0.75 4.39 4.05 2r00A1 THR 135 HB -0.04 0.06 -0.03 -0.04 4.32 4.27 2r00A1 THR 135 HG23 -0.07 0.02 -0.20 -0.04 1.22 0.94 2r00A1 ILE 136 H -0.03 0.54 -0.18 -0.55 8.25 8.03 2r00A1 ILE 136 HA -0.05 0.05 0.36 -0.75 4.18 3.79 2r00A1 ILE 136 HB -0.02 -0.01 0.03 -0.04 1.89 1.86 2r00A1 ILE 136 HG12 -0.04 0.03 -0.08 -0.04 1.49 1.37 2r00A1 ILE 136 HG13 -0.03 0.05 -0.29 -0.04 1.21 0.90 2r00A1 ILE 136 HG23 -0.01 0.01 -0.19 -0.04 0.93 0.70 2r00A1 ILE 136 HD13 -0.02 -0.01 -0.19 -0.04 0.88 0.62 2r00A1 GLN 137 H 0.01 0.65 -0.18 -0.55 8.47 8.40 2r00A1 GLN 137 HA 0.04 0.01 0.20 -0.75 4.36 3.86 2r00A1 GLN 137 HB2 0.09 0.11 0.05 -0.04 2.15 2.35 2r00A1 GLN 137 HB3 0.10 0.00 -0.23 -0.04 2.02 1.85 2r00A1 GLN 137 HG2 0.11 0.02 -0.18 -0.04 2.40 2.31 2r00A1 GLN 137 HG3 0.08 -0.02 -0.09 -0.04 2.39 2.32 2r00A1 GLN 137 HE21 0.31 -0.02 -0.36 -0.04 6.97 6.86 2r00A1 GLN 137 HE22 0.17 0.03 -0.45 -0.04 7.69 7.40 2r00A1 MET 138 H 0.02 0.39 -0.33 -0.55 8.47 8.01 2r00A1 MET 138 HA 0.03 0.02 0.23 -0.75 4.52 4.05 2r00A1 MET 138 HB2 0.01 -0.00 -0.01 -0.04 2.15 2.11 2r00A1 MET 138 HB3 -0.01 0.05 0.03 -0.04 2.03 2.05 2r00A1 MET 138 HG2 0.03 0.02 -0.31 -0.04 2.63 2.32 2r00A1 MET 138 HG3 0.02 -0.02 -0.11 -0.04 2.56 2.41 2r00A1 MET 138 HE3 0.00 0.00 -0.15 -0.04 2.10 1.92 2r00A1 LEU 139 H -0.06 0.56 -0.21 -0.55 8.37 8.12 2r00A1 LEU 139 HA -0.13 0.01 0.32 -0.75 4.35 3.80 2r00A1 LEU 139 HB2 -0.14 0.20 0.11 -0.04 1.64 1.76 2r00A1 LEU 139 HB3 -0.23 -0.03 -0.10 -0.04 1.64 1.24 2r00A1 LEU 139 HG -0.33 -0.07 -0.06 -0.04 1.64 1.13 2r00A1 LEU 139 HD13 -0.25 0.00 -0.11 -0.04 0.93 0.53 2r00A1 LEU 139 HD23 -1.17 0.01 -0.07 -0.04 0.89 -0.38 2r00A1 VAL 140 H -0.03 0.56 -0.17 -0.55 8.24 8.06 2r00A1 VAL 140 HA -0.00 0.03 0.46 -0.75 4.13 3.87 2r00A1 VAL 140 HB 0.01 0.09 0.05 -0.04 2.12 2.23 2r00A1 VAL 140 HG13 0.01 0.01 -0.20 -0.04 0.97 0.74 2r00A1 VAL 140 HG23 -0.02 -0.01 -0.04 -0.04 0.95 0.84 2r00A1 ALA 141 H 0.03 0.38 -0.24 -0.55 8.40 8.03 2r00A1 ALA 141 HA 0.06 0.05 0.31 -0.75 4.34 4.00 2r00A1 ALA 141 HB3 0.06 -0.00 -0.03 -0.04 1.41 1.40 2r00A1 LEU 142 H 0.07 0.39 -0.27 -0.55 8.37 8.01 2r00A1 LEU 142 HA 0.10 0.05 0.44 -0.75 4.35 4.19 2r00A1 LEU 142 HB2 0.15 0.18 0.02 -0.04 1.64 1.94 2r00A1 LEU 142 HB3 0.32 -0.04 -0.16 -0.04 1.64 1.72 2r00A1 LEU 142 HG 0.11 -0.04 -0.11 -0.04 1.64 1.56 2r00A1 LEU 142 HD13 0.06 0.01 -0.21 -0.04 0.93 0.74 2r00A1 LEU 142 HD23 0.12 -0.01 -0.18 -0.04 0.89 0.79 2r00A1 LYS 143 H 0.12 0.48 -0.19 -0.55 8.42 8.27 2r00A1 LYS 143 HA 0.34 -0.05 0.31 -0.75 4.32 4.17 2r00A1 LYS 143 HB2 0.09 0.12 0.12 -0.04 1.87 2.15 2r00A1 LYS 143 HB3 0.09 0.11 0.08 -0.04 1.79 2.02 2r00A1 LYS 143 HG2 0.09 0.08 0.04 -0.04 1.46 1.62 2r00A1 LYS 143 HG3 0.13 -0.03 -0.12 -0.04 1.46 1.40 2r00A1 LYS 143 HD2 0.33 -0.16 0.09 -0.04 1.69 1.91 2r00A1 LYS 143 HD3 0.32 -0.03 0.02 -0.04 1.68 1.95 2r00A1 LYS 143 HE2 0.27 -0.03 0.01 -0.04 2.99 3.20 2r00A1 LYS 143 HE3 0.14 0.10 0.05 -0.04 2.99 3.23 2r00A1 PRO 144 HA 0.07 0.06 0.47 -0.51 4.44 4.53 2r00A1 PRO 144 HB2 0.05 0.00 -0.12 -0.04 2.28 2.18 2r00A1 PRO 144 HB3 0.05 0.01 -0.02 -0.04 2.02 2.02 2r00A1 PRO 144 HG2 0.05 0.07 -0.05 -0.04 2.03 2.06 2r00A1 PRO 144 HG3 0.05 0.03 0.00 -0.04 2.03 2.07 2r00A1 PRO 144 HD2 0.08 0.22 -0.39 -0.04 3.68 3.55 2r00A1 PRO 144 HD3 0.07 0.23 0.01 -0.04 3.65 3.92 2r00A1 ILE 145 H 0.09 0.28 -0.31 -0.55 8.25 7.76 2r00A1 ILE 145 HA 0.03 0.00 0.51 -0.75 4.18 3.97 2r00A1 ILE 145 HB 0.07 0.14 0.06 -0.04 1.89 2.12 2r00A1 ILE 145 HG12 0.03 -0.08 -0.05 -0.04 1.49 1.34 2r00A1 ILE 145 HG13 0.05 0.01 -0.02 -0.04 1.21 1.21 2r00A1 ILE 145 HG23 0.00 -0.01 -0.17 -0.04 0.93 0.71 2r00A1 ILE 145 HD13 0.04 -0.01 -0.09 -0.04 0.88 0.78 2r00A1 TYR 146 H 0.19 0.67 -0.06 -0.55 8.29 8.55 2r00A1 TYR 146 HA -0.11 -0.08 0.21 -0.75 4.56 3.83 2r00A1 TYR 146 HB2 -0.13 -0.02 -0.04 -0.04 3.06 2.82 2r00A1 TYR 146 HB3 0.04 0.16 0.13 -0.04 2.98 3.26 2r00A1 TYR 146 HD2 -0.25 -0.00 -0.08 -0.04 7.15 6.78 2r00A1 TYR 146 HE2 -0.20 0.05 -0.00 -0.04 6.85 6.66 2r00A1 ASP 147 H 0.16 0.68 -0.10 -0.55 8.40 8.59 2r00A1 ASP 147 HA -0.04 0.01 0.35 -0.75 4.63 4.20 2r00A1 ASP 147 HB2 0.06 0.06 0.14 -0.04 2.71 2.94 2r00A1 ASP 147 HB3 0.04 -0.05 -0.00 -0.04 2.70 2.64 2r00A1 ALA 148 H 0.00 0.38 -0.25 -0.55 8.40 7.98 2r00A1 ALA 148 HA -0.02 0.01 0.39 -0.75 4.34 3.96 2r00A1 ALA 148 HB3 -0.00 -0.02 0.10 -0.04 1.41 1.44 2r00A1 VAL 149 H -0.07 0.52 0.01 -0.55 8.24 8.15 2r00A1 VAL 149 HA -0.07 0.21 0.99 -0.75 4.13 4.51 2r00A1 VAL 149 HB -0.05 -0.17 0.17 -0.04 2.12 2.03 2r00A1 VAL 149 HG13 -0.03 -0.01 -0.27 -0.04 0.97 0.62 2r00A1 VAL 149 HG23 -0.04 0.02 -0.03 -0.04 0.95 0.86 2r00A1 GLY 150 H -0.21 0.49 0.09 -0.55 8.43 8.26 2r00A1 GLY 150 HA2 -0.56 0.12 0.42 -0.51 4.01 3.48 2r00A1 GLY 150 HA3 -0.23 0.05 0.50 -0.51 4.01 3.82 2r00A1 ILE 151 H -0.14 0.25 0.12 -0.55 8.25 7.92 2r00A1 ILE 151 HA -0.02 0.20 0.90 -0.75 4.18 4.49 2r00A1 ILE 151 HB 0.03 -0.01 -0.01 -0.04 1.89 1.86 2r00A1 ILE 151 HG12 0.02 0.06 -0.22 -0.04 1.49 1.30 2r00A1 ILE 151 HG13 0.07 -0.08 -0.58 -0.04 1.21 0.57 2r00A1 ILE 151 HG23 0.01 -0.00 -0.31 -0.04 0.93 0.59 2r00A1 ILE 151 HD13 0.05 0.00 -0.16 -0.04 0.88 0.73 2r00A1 GLU 152 H -0.00 0.75 0.26 -0.55 8.60 9.06 2r00A1 GLU 152 HA 0.01 0.11 0.67 -0.75 4.29 4.33 2r00A1 GLU 152 HB2 0.00 0.01 -0.12 -0.04 2.09 1.94 2r00A1 GLU 152 HB3 0.02 0.01 0.06 -0.04 1.99 2.04 2r00A1 GLU 152 HG2 0.03 -0.04 -0.12 -0.04 2.34 2.17 2r00A1 GLU 152 HG3 0.02 0.01 0.02 -0.04 2.34 2.34 2r00A1 ARG 153 H 0.02 0.34 0.28 -0.55 8.46 8.55 2r00A1 ARG 153 HA 0.03 0.33 0.93 -0.75 4.34 4.88 2r00A1 ARG 153 HB2 0.05 0.03 -0.20 -0.04 1.90 1.73 2r00A1 ARG 153 HB3 0.07 -0.09 0.05 -0.04 1.80 1.79 2r00A1 ARG 153 HG2 0.06 -0.00 -0.30 -0.04 1.67 1.39 2r00A1 ARG 153 HG3 0.04 0.02 -0.06 -0.04 1.67 1.62 2r00A1 ARG 153 HD2 0.07 -0.04 -0.13 -0.04 3.22 3.08 2r00A1 ARG 153 HD3 0.04 -0.01 -0.10 -0.04 3.22 3.12 2r00A1 ILE 154 H 0.04 0.83 0.33 -0.55 8.25 8.91 2r00A1 ILE 154 HA 0.04 0.28 1.07 -0.75 4.18 4.81 2r00A1 ILE 154 HB 0.05 -0.05 0.13 -0.04 1.89 1.97 2r00A1 ILE 154 HG12 0.06 0.01 -0.10 -0.04 1.49 1.43 2r00A1 ILE 154 HG13 0.05 -0.04 -0.33 -0.04 1.21 0.86 2r00A1 ILE 154 HG23 0.03 -0.02 -0.25 -0.04 0.93 0.64 2r00A1 ILE 154 HD13 0.18 -0.00 -0.17 -0.04 0.88 0.86 2r00A1 ASN 155 H 0.10 0.69 0.28 -0.55 8.53 9.06 2r00A1 ASN 155 HA 0.03 0.21 0.93 -0.75 4.76 5.17 2r00A1 ASN 155 HB2 0.12 -0.02 0.16 -0.04 2.88 3.09 2r00A1 ASN 155 HB3 0.03 -0.00 0.04 -0.04 2.79 2.82 2r00A1 ASN 155 HD21 0.05 -0.01 -0.03 -0.04 7.03 6.99 2r00A1 ASN 155 HD22 0.03 -0.01 -0.01 -0.04 7.74 7.71 2r00A1 VAL 156 H -0.02 0.52 0.18 -0.55 8.24 8.38 2r00A1 VAL 156 HA -0.09 0.37 1.17 -0.75 4.13 4.83 2r00A1 VAL 156 HB -0.03 0.03 -0.26 -0.04 2.12 1.82 2r00A1 VAL 156 HG13 -0.04 -0.03 -0.17 -0.04 0.97 0.69 2r00A1 VAL 156 HG23 -0.09 0.00 -0.22 -0.04 0.95 0.60 2r00A1 THR 157 H -0.24 0.66 0.40 -0.55 8.28 8.54 2r00A1 THR 157 HA -0.25 0.26 1.15 -0.75 4.39 4.79 2r00A1 THR 157 HB -0.39 -0.08 0.21 -0.04 4.32 4.02 2r00A1 THR 157 HG23 -0.65 0.01 -0.04 -0.04 1.22 0.49 2r00A1 THR 158 H -0.31 0.49 0.40 -0.55 8.28 8.32 2r00A1 THR 158 HA -0.32 0.30 1.21 -0.75 4.39 4.83 2r00A1 THR 158 HB 0.17 0.01 0.07 -0.04 4.32 4.53 2r00A1 THR 158 HG23 -0.01 -0.00 -0.14 -0.04 1.22 1.02 2r00A1 TYR 159 H -0.21 0.59 0.39 -0.55 8.29 8.51 2r00A1 TYR 159 HA -0.17 0.31 1.02 -0.75 4.56 4.97 2r00A1 TYR 159 HB2 -0.22 -0.08 0.11 -0.04 3.06 2.82 2r00A1 TYR 159 HB3 -0.66 -0.01 -0.06 -0.04 2.98 2.21 2r00A1 TYR 159 HD2 -0.18 0.01 -0.26 -0.04 7.15 6.69 2r00A1 TYR 159 HE2 -0.40 -0.01 -0.13 -0.04 6.85 6.26 2r00A1 GLN 160 H 0.00 0.57 0.35 -0.55 8.47 8.85 2r00A1 GLN 160 HA 0.35 0.19 0.65 -0.75 4.36 4.80 2r00A1 GLN 160 HB2 0.16 -0.03 0.10 -0.04 2.15 2.34 2r00A1 GLN 160 HB3 0.31 0.00 -0.06 -0.04 2.02 2.24 2r00A1 GLN 160 HG2 0.06 0.06 -0.07 -0.04 2.40 2.41 2r00A1 GLN 160 HG3 0.06 0.13 -0.18 -0.04 2.39 2.37 2r00A1 GLN 160 HE21 0.03 -0.06 -0.10 -0.04 6.97 6.79 2r00A1 GLN 160 HE22 0.03 0.03 -0.18 -0.04 7.69 7.53 2r00A1 SER 161 H 0.17 0.20 0.20 -0.55 8.46 8.49 2r00A1 SER 161 HA 0.07 0.22 0.43 -0.75 4.49 4.46 2r00A1 SER 161 HB2 -0.01 -0.13 0.19 -0.04 3.95 3.96 2r00A1 SER 161 HB3 0.03 0.29 0.30 -0.04 3.93 4.51 2r00A1 VAL 162 H 0.01 0.51 0.20 -0.55 8.24 8.41 2r00A1 VAL 162 HA 0.01 0.11 0.59 -0.75 4.13 4.09 2r00A1 VAL 162 HB -0.00 -0.00 -0.07 -0.04 2.12 2.01 2r00A1 VAL 162 HG13 0.00 0.05 0.06 -0.04 0.97 1.04 2r00A1 VAL 162 HG23 -0.00 0.00 0.01 -0.04 0.95 0.92 2r00A1 SER 163 H -0.00 0.04 -0.12 -0.55 8.46 7.83 2r00A1 SER 163 HA 0.00 0.19 0.28 -0.75 4.49 4.21 2r00A1 SER 163 HB2 -0.00 0.05 0.07 -0.04 3.95 4.03 2r00A1 SER 163 HB3 -0.01 0.08 0.09 -0.04 3.93 4.05 2r00A1 GLY 164 H 0.01 0.17 -0.40 -0.55 8.43 7.67 2r00A1 GLY 164 HA2 0.02 0.05 -31.30 -0.51 4.01 -27.73 2r00A1 GLY 164 HA3 0.01 0.16 0.91 -0.51 4.01 4.58 2r00A1 ALA 165 H -0.01 -0.01 -0.22 -0.55 8.40 7.62 2r00A1 ALA 165 HA 0.01 0.13 0.83 -0.75 4.34 4.56 2r00A1 ALA 165 HB3 -0.01 0.01 0.12 -0.04 1.41 1.48 2r00A1 GLY 166 H 0.02 0.14 0.24 -0.55 8.43 8.28 2r00A1 GLY 166 HA2 0.08 -0.04 0.50 -0.51 4.01 4.05 2r00A1 GLY 166 HA3 -0.12 0.46 0.82 -0.51 4.01 4.65 2r00A1 LYS 167 H 0.03 0.15 -0.16 -0.55 8.42 7.89 2r00A1 LYS 167 HA 0.05 0.16 0.36 -0.75 4.32 4.14 2r00A1 LYS 167 HB2 0.03 -0.01 0.07 -0.04 1.87 1.92 2r00A1 LYS 167 HB3 0.03 -0.07 0.12 -0.04 1.79 1.82 2r00A1 LYS 167 HG2 0.03 0.05 -0.08 -0.04 1.46 1.41 2r00A1 LYS 167 HG3 0.02 0.05 0.07 -0.04 1.46 1.55 2r00A1 LYS 167 HD2 0.02 0.04 -0.03 -0.04 1.69 1.67 2r00A1 LYS 167 HD3 0.02 -0.10 -0.00 -0.04 1.68 1.56 2r00A1 LYS 167 HE2 0.07 -0.01 -0.08 -0.04 2.99 2.93 2r00A1 LYS 167 HE3 0.07 -0.05 -0.19 -0.04 2.99 2.77 2r00A1 ALA 168 H 0.07 -0.07 -0.32 -0.55 8.40 7.53 2r00A1 ALA 168 HA 0.04 0.12 0.88 -0.75 4.34 4.63 2r00A1 ALA 168 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 2r00A1 GLY 169 H 0.12 0.01 -0.04 -0.55 8.43 7.97 2r00A1 GLY 169 HA2 0.13 -0.03 0.31 -0.51 4.01 3.91 2r00A1 GLY 169 HA3 0.04 0.26 0.23 -0.51 4.01 4.03 2r00A1 ILE 170 H 0.03 -0.12 -0.61 -0.55 8.25 7.01 2r00A1 ILE 170 HA -0.05 0.24 0.80 -0.75 4.18 4.41 2r00A1 ILE 170 HB -0.00 0.09 -0.11 -0.04 1.89 1.84 2r00A1 ILE 170 HG12 -0.02 -0.03 0.09 -0.04 1.49 1.50 2r00A1 ILE 170 HG13 -0.03 0.03 0.12 -0.04 1.21 1.30 2r00A1 ILE 170 HG23 0.01 -0.02 -0.13 -0.04 0.93 0.74 2r00A1 ILE 170 HD13 -0.01 0.01 0.00 -0.04 0.88 0.84 2r00A1 ASP 171 H 0.03 -0.12 -0.10 -0.55 8.40 7.66 2r00A1 ASP 171 HA 0.06 -0.06 0.17 -0.75 4.63 4.05 2r00A1 ASP 171 HB2 -0.04 0.19 0.09 -0.04 2.71 2.91 2r00A1 ASP 171 HB3 -0.00 0.00 0.04 -0.04 2.70 2.69 2r00A1 PRO 201 HA -0.01 -0.14 0.26 -0.51 4.44 4.03 2r00A1 PRO 201 HB2 -0.02 -0.00 0.07 -0.04 2.28 2.29 2r00A1 PRO 201 HB3 -0.02 -0.00 0.04 -0.04 2.02 1.99 2r00A1 PRO 201 HG2 -0.01 0.01 0.06 -0.04 2.03 2.05 2r00A1 PRO 201 HG3 -0.01 0.00 0.04 -0.04 2.03 2.02 2r00A1 PRO 201 HD2 -0.01 0.01 0.08 -0.04 3.68 3.72 2r00A1 PRO 201 HD3 -0.00 0.01 0.05 -0.04 3.65 3.66 2r00A1 GLN 202 H -0.01 0.12 0.14 -0.55 8.47 8.18 2r00A1 GLN 202 HA -0.00 0.21 0.91 -0.75 4.36 4.72 2r00A1 GLN 202 HB2 0.01 -0.12 0.10 -0.04 2.15 2.10 2r00A1 GLN 202 HB3 0.01 0.10 0.04 -0.04 2.02 2.13 2r00A1 GLN 202 HG2 0.00 0.05 -0.02 -0.04 2.40 2.39 2r00A1 GLN 202 HG3 0.00 0.08 -0.53 -0.04 2.39 1.89 2r00A1 GLN 202 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.90 2r00A1 GLN 202 HE22 0.01 0.06 -0.04 -0.04 7.69 7.67 2r00A1 ILE 203 H -0.01 0.21 0.10 -0.55 8.25 8.00 2r00A1 ILE 203 HA -0.01 0.05 0.39 -0.75 4.18 3.86 2r00A1 ILE 203 HB -0.00 0.00 0.05 -0.04 1.89 1.90 2r00A1 ILE 203 HG12 -0.02 -0.03 0.04 -0.04 1.49 1.43 2r00A1 ILE 203 HG13 -0.02 0.05 -0.01 -0.04 1.21 1.19 2r00A1 ILE 203 HG23 -0.00 0.03 -0.21 -0.04 0.93 0.71 2r00A1 ILE 203 HD13 -0.04 0.00 -0.13 -0.04 0.88 0.66 2r00A1 ASP 204 H 0.02 0.65 0.34 -0.55 8.40 8.87 2r00A1 ASP 204 HA 0.06 0.02 0.52 -0.75 4.63 4.48 2r00A1 ASP 204 HB2 0.01 0.01 -0.18 -0.04 2.71 2.51 2r00A1 ASP 204 HB3 0.07 0.01 0.15 -0.04 2.70 2.89 2r00A1 GLN 205 H 0.08 0.17 0.24 -0.55 8.47 8.41 2r00A1 GLN 205 HA 0.04 0.12 0.30 -0.75 4.36 4.06 2r00A1 GLN 205 HB2 0.07 -0.02 0.08 -0.04 2.15 2.24 2r00A1 GLN 205 HB3 0.05 0.06 0.09 -0.04 2.02 2.18 2r00A1 GLN 205 HG2 0.04 0.04 0.13 -0.04 2.40 2.56 2r00A1 GLN 205 HG3 0.03 0.00 0.05 -0.04 2.39 2.43 2r00A1 GLN 205 HE21 0.01 -0.07 -0.04 -0.04 6.97 6.82 2r00A1 GLN 205 HE22 0.02 0.20 0.05 -0.04 7.69 7.91 2r00A1 PHE 206 H 0.24 -0.05 -0.17 -0.55 8.34 7.81 2r00A1 PHE 206 HA 0.03 0.22 0.69 -0.75 4.62 4.81 2r00A1 PHE 206 HB2 0.04 0.01 0.05 -0.04 3.15 3.21 2r00A1 PHE 206 HB3 0.10 -0.11 0.08 -0.04 3.06 3.09 2r00A1 PHE 206 HD2 0.08 -0.04 -0.08 -0.04 7.28 7.19 2r00A1 PHE 206 HE2 0.03 0.02 -0.05 -0.04 7.38 7.34 2r00A1 PHE 206 HZ -0.00 0.03 -0.04 -0.04 7.32 7.27 2r00A1 MET 207 H 0.24 -0.05 -0.09 -0.55 8.47 8.03 2r00A1 MET 207 HA -0.07 0.14 0.31 -0.75 4.52 4.15 2r00A1 MET 207 HB2 0.11 -0.08 0.09 -0.04 2.15 2.23 2r00A1 MET 207 HB3 0.08 0.06 0.02 -0.04 2.03 2.14 2r00A1 MET 207 HG2 0.42 -0.11 0.04 -0.04 2.63 2.93 2r00A1 MET 207 HG3 0.14 0.01 0.02 -0.04 2.56 2.69 2r00A1 MET 207 HE3 0.14 0.02 0.02 -0.04 2.10 2.24 2r00A1 ASP 208 H 0.02 0.25 -0.30 -0.55 8.40 7.83 2r00A1 ASP 208 HA 0.00 -0.02 0.24 -0.75 4.63 4.10 2r00A1 ASP 208 HB2 -0.05 0.10 -0.15 -0.04 2.71 2.57 2r00A1 ASP 208 HB3 -0.06 0.16 -0.01 -0.04 2.70 2.74 2r00A1 ASN 209 H 0.05 -0.01 -0.17 -0.55 8.53 7.85 2r00A1 ASN 209 HA 0.04 0.32 0.94 -0.75 4.76 5.31 2r00A1 ASN 209 HB2 0.14 0.03 0.15 -0.04 2.88 3.16 2r00A1 ASN 209 HB3 0.05 0.20 -0.12 -0.04 2.79 2.88 2r00A1 ASN 209 HD21 -0.07 -0.03 0.00 -0.04 7.03 6.89 2r00A1 ASN 209 HD22 0.01 0.10 0.01 -0.04 7.74 7.82 2r00A1 GLY 210 H 0.02 0.07 -0.07 -0.55 8.43 7.90 2r00A1 GLY 210 HA2 -0.06 0.00 0.28 -0.51 4.01 3.73 2r00A1 GLY 210 HA3 -0.11 0.20 0.53 -0.51 4.01 4.12 2r00A1 TYR 211 H 0.19 0.05 -0.45 -0.55 8.29 7.53 2r00A1 TYR 211 HA -0.06 0.17 0.76 -0.75 4.56 4.67 2r00A1 TYR 211 HB2 -0.09 -0.07 0.04 -0.04 3.06 2.91 2r00A1 TYR 211 HB3 -0.12 -0.01 0.05 -0.04 2.98 2.86 2r00A1 TYR 211 HD2 -0.07 -0.01 0.01 -0.04 7.15 7.04 2r00A1 TYR 211 HE2 -0.05 0.06 -0.03 -0.04 6.85 6.79 2r00A1 THR 212 H 0.02 0.17 0.20 -0.55 8.28 8.11 2r00A1 THR 212 HA -0.01 0.08 0.70 -0.75 4.39 4.41 2r00A1 THR 212 HB -0.02 0.01 0.10 -0.04 4.32 4.37 2r00A1 THR 212 HG23 -0.04 0.04 -0.06 -0.04 1.22 1.12 2r00A1 LYS 213 H -0.01 0.77 0.27 -0.55 8.42 8.90 2r00A1 LYS 213 HA -0.04 -0.02 0.24 -0.75 4.32 3.75 2r00A1 GLU 214 HA -0.03 0.01 0.46 -0.75 4.29 3.97 2r00A1 GLU 214 HB2 -0.02 0.00 0.11 -0.04 2.09 2.14 2r00A1 GLU 214 HB3 -0.03 -0.03 0.05 -0.04 1.99 1.94 2r00A1 GLU 214 HG2 -0.02 -0.00 -0.14 -0.04 2.34 2.14 2r00A1 GLU 214 HG3 -0.00 -0.02 0.02 -0.04 2.34 2.29 2r00A1 GLU 215 H -0.06 0.10 -0.28 -0.55 8.60 7.80 2r00A1 GLU 215 HA -0.08 0.01 0.28 -0.75 4.29 3.75 2r00A1 GLU 215 HB2 0.03 -0.02 0.18 -0.04 2.09 2.25 2r00A1 GLU 215 HB3 0.07 0.16 0.03 -0.04 1.99 2.21 2r00A1 GLU 215 HG2 -0.00 -0.03 -0.21 -0.04 2.34 2.05 2r00A1 GLU 215 HG3 -0.03 -0.05 0.02 -0.04 2.34 2.24 2r00A1 MET 216 H -0.25 0.54 -0.04 -0.55 8.47 8.17 2r00A1 MET 216 HA -0.68 0.06 0.47 -0.75 4.52 3.61 2r00A1 MET 216 HB2 -0.59 -0.00 0.15 -0.04 2.15 1.67 2r00A1 MET 216 HB3 -1.80 0.00 0.01 -0.04 2.03 0.21 2r00A1 MET 216 HG2 -0.18 0.04 -0.09 -0.04 2.63 2.36 2r00A1 MET 216 HG3 -0.19 -0.08 0.00 -0.04 2.56 2.25 2r00A1 MET 216 HE3 -0.40 0.01 0.06 -0.04 2.10 1.73 2r00A1 LYS 217 H -0.35 0.65 -0.30 -0.55 8.42 7.87 2r00A1 LYS 217 HA -0.10 0.01 0.42 -0.75 4.32 3.89 2r00A1 LYS 217 HB2 -0.05 0.18 0.19 -0.04 1.87 2.14 2r00A1 LYS 217 HB3 0.15 -0.11 0.00 -0.04 1.79 1.79 2r00A1 LYS 217 HG2 -0.34 -0.04 0.01 -0.04 1.46 1.05 2r00A1 LYS 217 HG3 -0.12 0.02 0.01 -0.04 1.46 1.33 2r00A1 LYS 217 HD2 -0.01 -0.06 -0.06 -0.04 1.69 1.52 2r00A1 LYS 217 HD3 -0.03 0.03 -0.23 -0.04 1.68 1.41 2r00A1 LYS 217 HE2 0.05 -0.06 -0.05 -0.04 2.99 2.88 2r00A1 LYS 217 HE3 0.05 0.08 0.01 -0.04 2.99 3.09 2r00A1 MET 218 H -0.14 0.45 -0.21 -0.55 8.47 8.02 2r00A1 MET 218 HA 0.01 -0.06 0.43 -0.75 4.52 4.15 2r00A1 MET 218 HB2 -0.05 -0.03 0.06 -0.04 2.15 2.10 2r00A1 MET 218 HB3 -0.09 0.21 0.10 -0.04 2.03 2.21 2r00A1 MET 218 HG2 -0.04 0.06 -0.22 -0.04 2.63 2.39 2r00A1 MET 218 HG3 -0.02 -0.09 -0.06 -0.04 2.56 2.36 2r00A1 MET 218 HE3 -0.00 -0.01 -0.28 -0.04 2.10 1.76 2r00A1 VAL 219 H -0.28 0.40 -0.13 -0.55 8.24 7.68 2r00A1 VAL 219 HA -0.08 0.01 0.42 -0.75 4.13 3.73 2r00A1 VAL 219 HB -0.64 0.15 0.22 -0.04 2.12 1.81 2r00A1 VAL 219 HG13 -0.06 -0.01 -0.04 -0.04 0.97 0.82 2r00A1 VAL 219 HG23 -0.32 0.05 0.08 -0.04 0.95 0.72 2r00A1 TRP 220 H -0.19 0.48 -0.15 -0.55 7.97 7.56 2r00A1 TRP 220 HA 0.05 0.06 0.31 -0.75 4.62 4.28 2r00A1 TRP 220 HB2 0.10 0.02 0.11 -0.04 3.23 3.42 2r00A1 TRP 220 HB3 0.14 0.01 0.00 -0.04 3.23 3.35 2r00A1 TRP 220 HD1 0.01 0.03 -0.07 -0.04 7.22 7.15 2r00A1 TRP 220 HE1 0.00 0.00 -0.01 -0.04 10.20 10.15 2r00A1 TRP 220 HE3 -0.45 -0.01 -0.07 -0.04 7.59 7.02 2r00A1 TRP 220 HZ2 0.02 -0.02 -0.02 -0.04 7.44 7.38 2r00A1 TRP 220 HZ3 -0.27 -0.05 -0.06 -0.04 7.13 6.71 2r00A1 TRP 220 HH2 -0.07 -0.11 -0.02 -0.04 7.19 6.94 2r00A1 GLU 221 H 0.27 0.59 -0.07 -0.55 8.60 8.85 2r00A1 GLU 221 HA 0.11 0.10 0.51 -0.75 4.29 4.25 2r00A1 GLU 221 HB2 0.07 0.03 0.13 -0.04 2.09 2.28 2r00A1 GLU 221 HB3 0.01 -0.08 -0.03 -0.04 1.99 1.85 2r00A1 GLU 221 HG2 -0.00 0.05 -0.02 -0.04 2.34 2.33 2r00A1 GLU 221 HG3 0.39 0.24 0.05 -0.04 2.34 2.98 2r00A1 THR 222 H 0.05 0.61 -0.20 -0.55 8.28 8.19 2r00A1 THR 222 HA -0.11 -0.04 0.34 -0.75 4.39 3.82 2r00A1 THR 222 HB 0.04 0.14 0.13 -0.04 4.32 4.59 2r00A1 THR 222 HG23 0.10 -0.01 -0.19 -0.04 1.22 1.09 2r00A1 GLN 223 H 0.11 0.59 -0.08 -0.55 8.47 8.54 2r00A1 GLN 223 HA 0.16 0.08 0.39 -0.75 4.36 4.24 2r00A1 GLN 223 HB2 0.18 0.03 0.06 -0.04 2.15 2.38 2r00A1 GLN 223 HB3 0.13 -0.08 -0.15 -0.04 2.02 1.88 2r00A1 GLN 223 HG2 0.11 0.17 0.04 -0.04 2.40 2.67 2r00A1 GLN 223 HG3 0.11 0.00 0.05 -0.04 2.39 2.51 2r00A1 GLN 223 HE21 0.09 -0.13 0.02 -0.04 6.97 6.91 2r00A1 GLN 223 HE22 0.07 0.56 0.11 -0.04 7.69 8.39 2r00A1 LYS 224 H 0.10 0.47 -0.24 -0.55 8.42 8.20 2r00A1 LYS 224 HA 0.05 0.02 0.51 -0.75 4.32 4.15 2r00A1 LYS 224 HB2 0.08 0.05 0.13 -0.04 1.87 2.09 2r00A1 LYS 224 HB3 0.03 0.04 0.18 -0.04 1.79 2.00 2r00A1 LYS 224 HG2 -0.02 -0.03 -0.12 -0.04 1.46 1.24 2r00A1 LYS 224 HG3 0.00 -0.03 0.04 -0.04 1.46 1.43 2r00A1 LYS 224 HD2 0.03 -0.07 -0.01 -0.04 1.69 1.59 2r00A1 LYS 224 HD3 -0.04 0.01 0.04 -0.04 1.68 1.65 2r00A1 LYS 224 HE2 -0.06 -0.17 0.04 -0.04 2.99 2.76 2r00A1 LYS 224 HE3 -0.05 -0.05 -0.04 -0.04 2.99 2.80 2r00A1 ILE 225 H -0.04 0.54 -0.06 -0.55 8.25 8.14 2r00A1 ILE 225 HA -0.07 0.11 0.42 -0.75 4.18 3.89 2r00A1 ILE 225 HB -0.25 0.04 0.10 -0.04 1.89 1.73 2r00A1 ILE 225 HG12 -0.09 0.11 -0.06 -0.04 1.49 1.41 2r00A1 ILE 225 HG13 -0.07 0.05 0.04 -0.04 1.21 1.19 2r00A1 ILE 225 HG23 -0.22 -0.04 -0.10 -0.04 0.93 0.54 2r00A1 ILE 225 HD13 -0.10 -0.06 -0.20 -0.04 0.88 0.48 2r00A1 PHE 226 H -0.07 0.50 -0.13 -0.55 8.34 8.09 2r00A1 PHE 226 HA -0.18 0.04 0.44 -0.75 4.62 4.17 2r00A1 PHE 226 HB2 -0.12 0.13 0.08 -0.04 3.15 3.19 2r00A1 PHE 226 HB3 -0.26 -0.04 -0.03 -0.04 3.06 2.70 2r00A1 PHE 226 HD2 -0.33 0.06 -0.06 -0.04 7.28 6.90 2r00A1 PHE 226 HE2 -0.19 -0.03 -0.11 -0.04 7.38 7.01 2r00A1 PHE 226 HZ -0.10 -0.07 -0.19 -0.04 7.32 6.92 2r00A1 ASN 227 H 0.07 0.17 -0.93 -0.55 8.53 7.30 2r00A1 ASN 227 HA 0.06 0.03 0.33 -0.75 4.76 4.43 2r00A1 ASN 227 HB2 0.04 0.06 -0.05 -0.04 2.88 2.89 2r00A1 ASN 227 HB3 0.07 0.07 0.15 -0.04 2.79 3.03 2r00A1 ASN 227 HD21 0.03 -0.07 0.05 -0.04 7.03 7.00 2r00A1 ASN 227 HD22 0.04 0.00 0.06 -0.04 7.74 7.81 2r00A1 ASP 228 H 0.11 0.52 -0.12 -0.55 8.40 8.37 2r00A1 ASP 228 HA 0.08 0.15 0.84 -0.75 4.63 4.94 2r00A1 ASP 228 HB2 0.12 0.25 -0.34 -0.04 2.71 2.70 2r00A1 ASP 228 HB3 0.07 -0.04 0.01 -0.04 2.70 2.69 2r00A1 PRO 229 HA 0.09 0.09 0.38 -0.51 4.44 4.49 2r00A1 PRO 229 HB2 0.06 0.01 -0.02 -0.04 2.28 2.29 2r00A1 PRO 229 HB3 0.07 0.01 0.06 -0.04 2.02 2.12 2r00A1 PRO 229 HG2 0.05 0.01 0.02 -0.04 2.03 2.07 2r00A1 PRO 229 HG3 0.05 0.04 0.02 -0.04 2.03 2.11 2r00A1 PRO 229 HD2 0.06 0.17 0.18 -0.04 3.68 4.05 2r00A1 PRO 229 HD3 0.07 0.17 -0.07 -0.04 3.65 3.77 2r00A1 SER 230 H 0.06 0.04 -0.46 -0.55 8.46 7.55 2r00A1 SER 230 HA 0.04 0.10 0.53 -0.75 4.49 4.42 2r00A1 SER 230 HB2 0.03 -0.01 0.08 -0.04 3.95 4.00 2r00A1 SER 230 HB3 0.04 -0.04 0.02 -0.04 3.93 3.91 2r00A1 ILE 231 H 0.06 0.27 -0.18 -0.55 8.25 7.85 2r00A1 ILE 231 HA 0.03 0.19 0.54 -0.75 4.18 4.18 2r00A1 ILE 231 HB 0.08 -0.02 0.01 -0.04 1.89 1.93 2r00A1 ILE 231 HG12 0.03 0.18 0.03 -0.04 1.49 1.69 2r00A1 ILE 231 HG13 0.04 -0.04 0.06 -0.04 1.21 1.23 2r00A1 ILE 231 HG23 0.03 0.00 -0.32 -0.04 0.93 0.59 2r00A1 ILE 231 HD13 -0.35 -0.02 -0.05 -0.04 0.88 0.42 2r00A1 MET 232 H 0.03 0.54 0.37 -0.55 8.47 8.87 2r00A1 MET 232 HA 0.02 0.11 0.81 -0.75 4.52 4.70 2r00A1 MET 232 HB2 0.02 -0.00 0.22 -0.04 2.15 2.35 2r00A1 MET 232 HB3 0.00 -0.07 0.04 -0.04 2.03 1.96 2r00A1 MET 232 HG2 0.03 0.23 0.05 -0.04 2.63 2.89 2r00A1 MET 232 HG3 0.02 -0.08 0.04 -0.04 2.56 2.50 2r00A1 MET 232 HE3 0.04 0.07 -0.20 -0.04 2.10 1.98 2r00A1 VAL 233 H -0.04 0.25 0.19 -0.55 8.24 8.09 2r00A1 VAL 233 HA 0.00 0.23 0.98 -0.75 4.13 4.58 2r00A1 VAL 233 HB -0.06 -0.07 0.12 -0.04 2.12 2.06 2r00A1 VAL 233 HG13 -0.03 -0.02 -0.19 -0.04 0.97 0.70 2r00A1 VAL 233 HG23 0.05 0.05 -0.26 -0.04 0.95 0.75 2r00A1 ASN 234 H -0.01 0.76 0.27 -0.55 8.53 9.00 2r00A1 ASN 234 HA -0.18 0.18 0.94 -0.75 4.76 4.94 2r00A1 ASN 234 HB2 0.05 -0.04 0.24 -0.04 2.88 3.09 2r00A1 ASN 234 HB3 0.15 -0.01 0.08 -0.04 2.79 2.98 2r00A1 ASN 234 HD21 0.02 0.01 -0.19 -0.04 7.03 6.83 2r00A1 ASN 234 HD22 0.04 0.01 -0.19 -0.04 7.74 7.56 2r00A1 PRO 235 HA -0.02 0.36 0.89 -0.51 4.44 5.16 2r00A1 PRO 235 HB2 -0.03 -0.12 -0.07 -0.04 2.28 2.02 2r00A1 PRO 235 HB3 -0.05 0.01 -0.01 -0.04 2.02 1.93 2r00A1 PRO 235 HG2 -0.13 0.27 0.07 -0.04 2.03 2.20 2r00A1 PRO 235 HG3 -0.09 0.02 -0.14 -0.04 2.03 1.77 2r00A1 PRO 235 HD2 -0.14 0.00 0.15 -0.04 3.68 3.65 2r00A1 PRO 235 HD3 -0.22 0.35 -0.13 -0.04 3.65 3.61 2r00A1 THR 236 H -0.07 0.74 0.46 -0.55 8.28 8.86 2r00A1 THR 236 HA -0.05 0.09 0.76 -0.75 4.39 4.43 2r00A1 THR 236 HB -0.13 -0.04 0.22 -0.04 4.32 4.33 2r00A1 THR 236 HG23 -0.10 -0.00 -0.08 -0.04 1.22 0.99 2r00A1 CYS 237 H -0.07 0.17 0.06 -0.55 8.50 8.11 2r00A1 CYS 237 HA -0.12 0.11 0.90 -0.75 4.58 4.71 2r00A1 CYS 237 HB2 -0.04 -0.05 0.12 -0.04 2.97 2.95 2r00A1 CYS 237 HB3 -0.04 0.04 -0.04 -0.04 2.97 2.89 2r00A1 VAL 238 H -0.20 0.70 0.33 -0.55 8.24 8.51 2r00A1 VAL 238 HA -0.07 0.09 0.71 -0.75 4.13 4.10 2r00A1 VAL 238 HB -0.28 0.14 0.13 -0.04 2.12 2.06 2r00A1 VAL 238 HG13 0.01 -0.02 -0.20 -0.04 0.97 0.72 2r00A1 VAL 238 HG23 -0.12 -0.01 -0.16 -0.04 0.95 0.61 2r00A1 ARG 239 H -0.03 0.16 0.19 -0.55 8.46 8.22 2r00A1 ARG 239 HA -0.02 0.34 0.97 -0.75 4.34 4.87 2r00A1 ARG 239 HB2 -0.02 -0.03 0.12 -0.04 1.90 1.93 2r00A1 ARG 239 HB3 -0.01 -0.04 -0.02 -0.04 1.80 1.68 2r00A1 ARG 239 HG2 0.00 -0.06 0.04 -0.04 1.67 1.60 2r00A1 ARG 239 HG3 0.01 0.18 -0.38 -0.04 1.67 1.44 2r00A1 ARG 239 HD2 -0.01 -0.07 -0.20 -0.04 3.22 2.90 2r00A1 ARG 239 HD3 -0.00 -0.01 -0.02 -0.04 3.22 3.15 2r00A1 VAL 240 H -0.05 0.64 0.18 -0.55 8.24 8.47 2r00A1 VAL 240 HA -0.04 0.28 0.99 -0.75 4.13 4.61 2r00A1 VAL 240 HB -0.13 0.06 0.00 -0.04 2.12 2.00 2r00A1 VAL 240 HG13 -0.44 0.02 -0.21 -0.04 0.97 0.30 2r00A1 VAL 240 HG23 -0.08 -0.06 -0.28 -0.04 0.95 0.49 2r00A1 PRO 241 HA 0.00 0.03 0.39 -0.51 4.44 4.35 2r00A1 PRO 241 HB2 0.02 -0.00 0.12 -0.04 2.28 2.37 2r00A1 PRO 241 HB3 0.01 0.04 0.10 -0.04 2.02 2.13 2r00A1 PRO 241 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 2r00A1 PRO 241 HG3 0.00 0.06 0.11 -0.04 2.03 2.16 2r00A1 PRO 241 HD2 -0.01 0.11 0.19 -0.04 3.68 3.93 2r00A1 PRO 241 HD3 -0.01 0.23 0.22 -0.04 3.65 4.05 2r00A1 VAL 242 H 0.05 0.23 -0.11 -0.55 8.24 7.86 2r00A1 VAL 242 HA -0.01 0.08 0.80 -0.75 4.13 4.25 2r00A1 VAL 242 HB 0.07 0.02 0.03 -0.04 2.12 2.20 2r00A1 VAL 242 HG13 -0.01 -0.01 -0.05 -0.04 0.97 0.86 2r00A1 VAL 242 HG23 0.03 0.02 -0.19 -0.04 0.95 0.76 2r00A1 PHE 243 H -0.10 0.16 0.08 -0.55 8.34 7.92 2r00A1 PHE 243 HA -0.02 0.12 0.70 -0.75 4.62 4.66 2r00A1 PHE 243 HB2 -0.01 -0.02 -0.57 -0.04 3.15 2.50 2r00A1 PHE 243 HB3 -0.02 -0.09 -0.09 -0.04 3.06 2.82 2r00A1 PHE 243 HD2 0.04 0.07 -0.08 -0.04 7.28 7.26 2r00A1 PHE 243 HE2 0.01 -0.03 -0.12 -0.04 7.38 7.21 2r00A1 PHE 243 HZ 0.00 -0.01 -0.15 -0.04 7.32 7.12 2r00A1 TYR 244 H -0.16 0.23 0.12 -0.55 8.29 7.92 2r00A1 TYR 244 HA -0.06 0.01 1.09 -0.75 4.56 4.85 2r00A1 TYR 244 HB2 -0.14 0.08 0.20 -0.04 3.06 3.16 2r00A1 TYR 244 HB3 -0.08 -0.05 0.13 -0.04 2.98 2.94 2r00A1 TYR 244 HD2 -0.03 -0.07 0.03 -0.04 7.15 7.04 2r00A1 TYR 244 HE2 0.00 0.00 -0.04 -0.04 6.85 6.78 2r00A1 GLY 245 H 0.02 0.42 0.35 -0.55 8.43 8.68 2r00A1 GLY 245 HA2 0.05 0.06 0.46 -0.51 4.01 4.07 2r00A1 GLY 245 HA3 -0.04 0.16 0.92 -0.51 4.01 4.54 2r00A1 HIS 246 H 0.14 0.73 0.38 -0.55 8.41 9.13 2r00A1 HIS 246 HA 0.33 0.30 1.02 -0.75 4.63 5.52 2r00A1 HIS 246 HB2 0.11 -0.07 -0.12 -0.04 3.26 3.14 2r00A1 HIS 246 HB3 0.09 -0.06 0.07 -0.04 3.20 3.27 2r00A1 HIS 246 HD2 0.11 0.05 -0.01 -0.04 6.97 7.07 2r00A1 HIS 246 HE1 0.03 0.01 -0.12 -0.04 7.75 7.62 2r00A1 ALA 247 H -0.14 0.43 0.37 -0.55 8.40 8.52 2r00A1 ALA 247 HA 0.08 0.30 1.07 -0.75 4.34 5.03 2r00A1 ALA 247 HB3 0.37 0.00 -0.03 -0.04 1.41 1.71 2r00A1 GLU 248 H 0.06 0.63 0.41 -0.55 8.60 9.14 2r00A1 GLU 248 HA -0.21 0.31 1.03 -0.75 4.29 4.67 2r00A1 GLU 248 HB2 -0.04 -0.04 0.05 -0.04 2.09 2.02 2r00A1 GLU 248 HB3 -0.12 0.05 -0.05 -0.04 1.99 1.83 2r00A1 GLU 248 HG2 -0.02 -0.03 -0.05 -0.04 2.34 2.20 2r00A1 GLU 248 HG3 -0.00 -0.08 -0.42 -0.04 2.34 1.79 2r00A1 ALA 249 H -0.50 0.61 0.39 -0.55 8.40 8.34 2r00A1 ALA 249 HA -1.36 0.17 1.02 -0.75 4.34 3.42 2r00A1 ALA 249 HB3 -1.19 -0.02 0.12 -0.04 1.41 0.28 2r00A1 VAL 250 H -0.24 0.82 0.41 -0.55 8.24 8.68 2r00A1 VAL 250 HA -0.08 0.20 1.16 -0.75 4.13 4.66 2r00A1 VAL 250 HB -0.01 0.00 0.04 -0.04 2.12 2.12 2r00A1 VAL 250 HG13 0.01 -0.00 -0.23 -0.04 0.97 0.70 2r00A1 VAL 250 HG23 -0.05 -0.01 -0.27 -0.04 0.95 0.58 2r00A1 HIS 251 H 0.07 0.85 0.42 -0.55 8.41 9.21 2r00A1 HIS 251 HA 0.03 0.32 1.09 -0.75 4.63 5.31 2r00A1 HIS 251 HB2 0.02 -0.04 0.07 -0.04 3.26 3.27 2r00A1 HIS 251 HB3 0.01 -0.03 0.20 -0.04 3.20 3.33 2r00A1 HIS 251 HD2 0.06 -0.00 -0.10 -0.04 6.97 6.88 2r00A1 HIS 251 HE1 0.11 -0.01 -0.12 -0.04 7.75 7.68 2r00A1 VAL 252 H -0.40 0.74 0.34 -0.55 8.24 8.37 2r00A1 VAL 252 HA -0.10 0.28 1.18 -0.75 4.13 4.73 2r00A1 VAL 252 HB -0.04 0.06 -0.05 -0.04 2.12 2.04 2r00A1 VAL 252 HG13 0.00 -0.02 -0.22 -0.04 0.97 0.69 2r00A1 VAL 252 HG23 -0.07 0.01 -0.05 -0.04 0.95 0.79 2r00A1 GLU 253 H -0.03 0.80 0.37 -0.55 8.60 9.19 2r00A1 GLU 253 HA -0.01 0.28 1.00 -0.75 4.29 4.81 2r00A1 GLU 253 HB2 0.12 -0.03 0.13 -0.04 2.09 2.26 2r00A1 GLU 253 HB3 0.05 -0.20 0.29 -0.04 1.99 2.09 2r00A1 GLU 253 HG2 0.11 -0.05 0.01 -0.04 2.34 2.37 2r00A1 GLU 253 HG3 0.09 0.14 -0.01 -0.04 2.34 2.52 2r00A1 THR 254 H -0.06 0.68 0.25 -0.55 8.28 8.60 2r00A1 THR 254 HA -0.04 0.16 0.73 -0.75 4.39 4.49 2r00A1 THR 254 HB -0.05 0.08 0.10 -0.04 4.32 4.41 2r00A1 THR 254 HG23 -0.05 -0.01 -0.14 -0.04 1.22 0.98 2r00A1 ARG 255 H -0.06 0.52 0.05 -0.55 8.46 8.42 2r00A1 ARG 255 HA -0.02 0.06 0.68 -0.75 4.34 4.31 2r00A1 ARG 255 HB2 -0.07 0.27 0.14 -0.04 1.90 2.20 2r00A1 ARG 255 HB3 -0.04 -0.07 0.08 -0.04 1.80 1.73 2r00A1 ARG 255 HG2 -0.03 -0.03 -0.18 -0.04 1.67 1.39 2r00A1 ARG 255 HG3 -0.06 -0.10 -0.33 -0.04 1.67 1.13 2r00A1 ARG 255 HD2 -0.08 0.03 -0.05 -0.04 3.22 3.08 2r00A1 ARG 255 HD3 -0.04 -0.03 -0.05 -0.04 3.22 3.07 2r00A1 ALA 256 H -0.04 0.28 0.10 -0.55 8.40 8.18 2r00A1 ALA 256 HA -0.02 0.12 0.65 -0.75 4.34 4.33 2r00A1 ALA 256 HB3 -0.03 0.00 0.06 -0.04 1.41 1.40 2r00A1 PRO 257 HA -0.02 0.08 0.15 -0.51 4.44 4.13 2r00A1 PRO 257 HB2 0.02 0.00 -0.10 -0.04 2.28 2.16 2r00A1 PRO 257 HB3 0.02 -0.13 -0.10 -0.04 2.02 1.77 2r00A1 PRO 257 HG2 -0.01 0.03 0.04 -0.04 2.03 2.05 2r00A1 PRO 257 HG3 -0.01 0.00 0.00 -0.04 2.03 1.99 2r00A1 PRO 257 HD2 -0.01 0.11 0.17 -0.04 3.68 3.91 2r00A1 PRO 257 HD3 -0.01 0.18 0.16 -0.04 3.65 3.93 2r00A1 ILE 258 H 0.00 0.74 0.26 -0.55 8.25 8.70 2r00A1 ILE 258 HA 0.02 0.04 0.54 -0.75 4.18 4.02 2r00A1 ILE 258 HB -0.01 0.17 -0.14 -0.04 1.89 1.87 2r00A1 ILE 258 HG12 0.00 -0.02 -0.13 -0.04 1.49 1.30 2r00A1 ILE 258 HG13 0.01 -0.05 0.09 -0.04 1.21 1.22 2r00A1 ILE 258 HG23 -0.03 -0.00 -0.06 -0.04 0.93 0.80 2r00A1 ILE 258 HD13 0.00 0.01 -0.08 -0.04 0.88 0.77 2r00A1 ASP 259 H 0.04 0.15 0.13 -0.55 8.40 8.18 2r00A1 ASP 259 HA -0.00 0.12 0.55 -0.75 4.63 4.54 2r00A1 ASP 259 HB2 0.10 0.11 0.13 -0.04 2.71 3.02 2r00A1 ASP 259 HB3 0.05 -0.15 0.11 -0.04 2.70 2.67 2r00A1 ALA 260 H -0.12 0.17 0.23 -0.55 8.40 8.14 2r00A1 ALA 260 HA -0.02 0.14 0.35 -0.75 4.34 4.05 2r00A1 ALA 260 HB3 -0.03 0.03 0.08 -0.04 1.41 1.45 2r00A1 GLU 261 H 0.01 0.04 -0.21 -0.55 8.60 7.90 2r00A1 GLU 261 HA 0.02 0.12 0.37 -0.75 4.29 4.05 2r00A1 GLU 261 HB2 0.03 -0.05 0.03 -0.04 2.09 2.06 2r00A1 GLU 261 HB3 0.02 0.07 -0.01 -0.04 1.99 2.03 2r00A1 GLU 261 HG2 0.03 -0.08 0.05 -0.04 2.34 2.30 2r00A1 GLU 261 HG3 0.03 0.04 0.03 -0.04 2.34 2.39 2r00A1 GLN 262 H 0.02 0.12 -0.28 -0.55 8.47 7.78 2r00A1 GLN 262 HA 0.02 0.07 0.47 -0.75 4.36 4.17 2r00A1 GLN 262 HB2 0.02 0.11 0.15 -0.04 2.15 2.39 2r00A1 GLN 262 HB3 0.01 0.06 0.03 -0.04 2.02 2.09 2r00A1 GLN 262 HG2 0.02 0.06 0.03 -0.04 2.40 2.46 2r00A1 GLN 262 HG3 0.03 -0.14 0.06 -0.04 2.39 2.30 2r00A1 GLN 262 HE21 0.02 0.06 0.02 -0.04 6.97 7.03 2r00A1 GLN 262 HE22 0.02 0.02 0.02 -0.04 7.69 7.71 2r00A1 VAL 263 H 0.01 0.43 -0.09 -0.55 8.24 8.04 2r00A1 VAL 263 HA 0.02 0.04 0.35 -0.75 4.13 3.79 2r00A1 VAL 263 HB 0.02 0.02 -0.00 -0.04 2.12 2.11 2r00A1 VAL 263 HG13 -0.00 -0.00 -0.10 -0.04 0.97 0.83 2r00A1 VAL 263 HG23 0.03 0.01 -0.16 -0.04 0.95 0.79 2r00A1 MET 264 H 0.02 0.51 -0.27 -0.55 8.47 8.19 2r00A1 MET 264 HA 0.04 0.02 0.42 -0.75 4.52 4.25 2r00A1 MET 264 HB2 0.03 0.05 0.12 -0.04 2.15 2.31 2r00A1 MET 264 HB3 0.03 -0.03 -0.04 -0.04 2.03 1.95 2r00A1 MET 264 HG2 0.05 -0.05 -0.02 -0.04 2.63 2.58 2r00A1 MET 264 HG3 0.03 0.12 -0.01 -0.04 2.56 2.66 2r00A1 MET 264 HE3 0.03 -0.02 -0.08 -0.04 2.10 1.99 2r00A1 ASP 265 H 0.02 0.43 -0.17 -0.55 8.40 8.13 2r00A1 ASP 265 HA 0.02 0.02 0.50 -0.75 4.63 4.41 2r00A1 ASP 265 HB2 0.02 0.15 0.24 -0.04 2.71 3.07 2r00A1 ASP 265 HB3 0.02 -0.03 0.00 -0.04 2.70 2.64 2r00A1 MET 266 H 0.02 0.55 -0.06 -0.55 8.47 8.44 2r00A1 MET 266 HA 0.02 0.02 0.40 -0.75 4.52 4.20 2r00A1 MET 266 HB2 0.03 0.09 0.12 -0.04 2.15 2.34 2r00A1 MET 266 HB3 0.03 -0.01 -0.09 -0.04 2.03 1.92 2r00A1 MET 266 HG2 0.02 -0.01 -0.00 -0.04 2.63 2.59 2r00A1 MET 266 HG3 0.02 0.06 -0.02 -0.04 2.56 2.57 2r00A1 MET 266 HE3 0.01 -0.03 -0.11 -0.04 2.10 1.93 2r00A1 LEU 267 H 0.03 0.59 -0.13 -0.55 8.37 8.32 2r00A1 LEU 267 HA 0.04 0.04 0.40 -0.75 4.35 4.07 2r00A1 LEU 267 HB2 0.05 0.04 0.07 -0.04 1.64 1.75 2r00A1 LEU 267 HB3 0.06 -0.06 -0.03 -0.04 1.64 1.57 2r00A1 LEU 267 HG 0.05 0.35 0.05 -0.04 1.64 2.04 2r00A1 LEU 267 HD13 0.07 -0.04 -0.09 -0.04 0.93 0.82 2r00A1 LEU 267 HD23 0.05 -0.02 -0.02 -0.04 0.89 0.87 2r00A1 GLU 268 H 0.02 0.40 -0.30 -0.55 8.60 8.18 2r00A1 GLU 268 HA 0.01 -0.03 0.47 -0.75 4.29 3.99 2r00A1 GLU 268 HB2 0.01 0.23 0.22 -0.04 2.09 2.51 2r00A1 GLU 268 HB3 0.01 0.05 0.03 -0.04 1.99 2.04 2r00A1 GLU 268 HG2 -0.00 -0.02 0.06 -0.04 2.34 2.33 2r00A1 GLU 268 HG3 -0.01 -0.05 0.11 -0.04 2.34 2.35 2r00A1 GLN 269 H 0.02 0.30 -0.34 -0.55 8.47 7.90 2r00A1 GLN 269 HA 0.01 0.03 0.60 -0.75 4.36 4.25 2r00A1 GLN 269 HB2 0.02 0.15 0.15 -0.04 2.15 2.43 2r00A1 GLN 269 HB3 0.01 -0.09 0.04 -0.04 2.02 1.94 2r00A1 GLN 269 HG2 0.01 -0.07 0.02 -0.04 2.40 2.32 2r00A1 GLN 269 HG3 0.01 0.04 -0.01 -0.04 2.39 2.38 2r00A1 GLN 269 HE21 0.01 -0.08 -0.08 -0.04 6.97 6.79 2r00A1 GLN 269 HE22 0.01 -0.02 -0.04 -0.04 7.69 7.60 2r00A1 THR 270 H 0.02 0.22 -0.19 -0.55 8.28 7.78 2r00A1 THR 270 HA 0.02 -0.04 0.35 -0.75 4.39 3.96 2r00A1 THR 270 HB 0.03 0.05 0.10 -0.04 4.32 4.45 2r00A1 THR 270 HG23 0.02 0.02 -0.01 -0.04 1.22 1.22 2r00A1 ASP 271 H 0.01 0.08 0.20 -0.55 8.40 8.14 2r00A1 ASP 271 HA -0.01 0.13 0.59 -0.75 4.63 4.59 2r00A1 ASP 271 HB2 -0.01 -0.01 0.11 -0.04 2.71 2.75 2r00A1 ASP 271 HB3 -0.02 -0.04 0.09 -0.04 2.70 2.69 2r00A1 GLY 272 H -0.11 0.16 0.16 -0.55 8.43 8.09 2r00A1 GLY 272 HA2 -0.55 -0.03 0.37 -0.51 4.01 3.29 2r00A1 GLY 272 HA3 -0.17 0.11 0.62 -0.51 4.01 4.06 2r00A1 ILE 273 H -0.02 0.37 -0.43 -0.55 8.25 7.61 2r00A1 ILE 273 HA 0.06 0.17 0.96 -0.75 4.18 4.62 2r00A1 ILE 273 HB 0.03 0.27 0.03 -0.04 1.89 2.18 2r00A1 ILE 273 HG12 0.05 -0.07 -0.18 -0.04 1.49 1.25 2r00A1 ILE 273 HG13 0.01 -0.04 -0.35 -0.04 1.21 0.79 2r00A1 ILE 273 HG23 0.07 -0.05 -0.27 -0.04 0.93 0.65 2r00A1 ILE 273 HD13 0.04 0.03 -0.15 -0.04 0.88 0.76 2r00A1 GLU 274 H 0.16 0.53 0.18 -0.55 8.60 8.92 2r00A1 GLU 274 HA 0.03 0.22 0.90 -0.75 4.29 4.68 2r00A1 GLU 274 HB2 0.12 -0.03 0.01 -0.04 2.09 2.14 2r00A1 GLU 274 HB3 0.22 -0.07 0.10 -0.04 1.99 2.19 2r00A1 GLU 274 HG2 -0.64 -0.07 -0.25 -0.04 2.34 1.33 2r00A1 GLU 274 HG3 -0.29 0.08 -0.03 -0.04 2.34 2.06 2r00A1 LEU 275 H -0.03 0.26 0.04 -0.55 8.37 8.09 2r00A1 LEU 275 HA 0.15 0.21 0.96 -0.75 4.35 4.93 2r00A1 LEU 275 HB2 0.05 0.05 -0.13 -0.04 1.64 1.56 2r00A1 LEU 275 HB3 0.00 0.00 0.05 -0.04 1.64 1.65 2r00A1 LEU 275 HG 0.09 0.03 -0.27 -0.04 1.64 1.45 2r00A1 LEU 275 HD13 0.08 -0.01 -0.09 -0.04 0.93 0.87 2r00A1 LEU 275 HD23 0.03 0.03 -0.09 -0.04 0.89 0.82 2r00A1 PHE 276 H 0.37 0.75 0.38 -0.55 8.34 9.28 2r00A1 PHE 276 HA 0.03 0.12 0.90 -0.75 4.62 4.92 2r00A1 PHE 276 HB2 0.03 0.02 0.23 -0.04 3.15 3.38 2r00A1 PHE 276 HB3 0.02 -0.11 0.06 -0.04 3.06 2.98 2r00A1 PHE 276 HD2 0.03 0.08 -0.00 -0.04 7.28 7.34 2r00A1 PHE 276 HE2 0.03 0.01 -0.12 -0.04 7.38 7.27 2r00A1 PHE 276 HZ 0.02 0.09 -0.16 -0.04 7.32 7.24 2r00A1 ARG 277 H 0.06 0.23 0.15 -0.55 8.46 8.35 2r00A1 ARG 277 HA 0.07 0.10 0.65 -0.75 4.34 4.41 2r00A1 ARG 277 HB2 0.03 0.04 0.11 -0.04 1.90 2.04 2r00A1 ARG 277 HB3 0.04 -0.00 0.09 -0.04 1.80 1.88 2r00A1 ARG 277 HG2 0.04 -0.02 -0.01 -0.04 1.67 1.64 2r00A1 ARG 277 HG3 0.03 0.02 -0.13 -0.04 1.67 1.54 2r00A1 ARG 277 HD2 0.01 0.03 0.00 -0.04 3.22 3.22 2r00A1 ARG 277 HD3 0.02 -0.03 -0.00 -0.04 3.22 3.17 2r00A1 GLY 278 H 0.12 -0.02 -0.13 -0.55 8.43 7.86 2r00A1 GLY 278 HA2 0.06 -0.03 0.30 -0.51 4.01 3.83 2r00A1 GLY 278 HA3 0.04 0.22 0.75 -0.51 4.01 4.51 2r00A1 ALA 279 H 0.03 0.18 0.11 -0.55 8.40 8.17 2r00A1 ALA 279 HA 0.07 0.16 0.84 -0.75 4.34 4.66 2r00A1 ALA 279 HB3 0.05 0.06 -0.13 -0.04 1.41 1.35 2r00A1 ASP 280 H 0.09 0.13 0.16 -0.55 8.40 8.24 2r00A1 ASP 280 HA -0.12 0.20 0.82 -0.75 4.63 4.78 2r00A1 ASP 280 HB2 0.15 -0.02 0.09 -0.04 2.71 2.89 2r00A1 ASP 280 HB3 -0.29 0.01 0.05 -0.04 2.70 2.42 2r00A1 PHE 281 H 0.17 0.04 0.11 -0.55 8.34 8.11 2r00A1 PHE 281 HA 0.00 0.29 0.82 -0.75 4.62 4.98 2r00A1 PHE 281 HB2 0.00 -0.05 0.04 -0.04 3.15 3.10 2r00A1 PHE 281 HB3 0.00 -0.01 0.06 -0.04 3.06 3.08 2r00A1 PHE 281 HD2 0.00 -0.05 -0.04 -0.04 7.28 7.15 2r00A1 PHE 281 HE2 0.00 0.01 -0.03 -0.04 7.38 7.32 2r00A1 PHE 281 HZ 0.00 0.01 -0.02 -0.04 7.32 7.27 2r00A1 PRO 282 HA 0.05 0.09 0.42 -0.51 4.44 4.49 2r00A1 PRO 282 HB2 0.06 0.02 0.07 -0.04 2.28 2.39 2r00A1 PRO 282 HB3 0.04 0.07 0.08 -0.04 2.02 2.16 2r00A1 PRO 282 HG2 0.06 0.06 0.09 -0.04 2.03 2.21 2r00A1 PRO 282 HG3 0.03 0.07 0.08 -0.04 2.03 2.17 2r00A1 PRO 282 HD2 0.21 0.10 0.21 -0.04 3.68 4.16 2r00A1 PRO 282 HD3 0.06 0.21 0.20 -0.04 3.65 4.07 2r00A1 THR 283 H 0.10 0.09 -0.18 -0.55 8.28 7.75 2r00A1 THR 283 HA 0.04 0.13 0.36 -0.75 4.39 4.16 2r00A1 THR 283 HB 0.01 0.06 0.07 -0.04 4.32 4.42 2r00A1 THR 283 HG23 0.02 -0.00 0.03 -0.04 1.22 1.22 2r00A1 GLN 284 H 0.10 0.27 -0.46 -0.55 8.47 7.84 2r00A1 GLN 284 HA 0.05 0.17 0.68 -0.75 4.36 4.50 2r00A1 GLN 284 HB2 0.11 -0.03 0.16 -0.04 2.15 2.35 2r00A1 GLN 284 HB3 0.07 0.04 0.12 -0.04 2.02 2.21 2r00A1 GLN 284 HG2 0.06 0.09 0.02 -0.04 2.40 2.52 2r00A1 GLN 284 HG3 0.09 -0.07 -0.07 -0.04 2.39 2.30 2r00A1 GLN 284 HE21 0.16 0.01 0.02 -0.04 6.97 7.12 2r00A1 GLN 284 HE22 0.05 0.06 -0.00 -0.04 7.69 7.75 2r00A1 VAL 285 H 0.06 0.36 -0.13 -0.55 8.24 7.98 2r00A1 VAL 285 HA 0.09 -0.05 0.54 -0.75 4.13 3.96 2r00A1 VAL 285 HB 0.04 0.08 0.12 -0.04 2.12 2.32 2r00A1 VAL 285 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.89 2r00A1 VAL 285 HG23 0.03 -0.02 0.04 -0.04 0.95 0.97 2r00A1 ARG 286 H 0.18 0.09 0.19 -0.55 8.46 8.37 2r00A1 ARG 286 HA 0.08 0.18 0.88 -0.75 4.34 4.72 2r00A1 ARG 286 HB2 0.28 -0.01 0.01 -0.04 1.90 2.14 2r00A1 ARG 286 HB3 0.07 -0.00 0.08 -0.04 1.80 1.91 2r00A1 ARG 286 HG2 0.03 0.08 -0.30 -0.04 1.67 1.44 2r00A1 ARG 286 HG3 0.04 0.04 0.00 -0.04 1.67 1.71 2r00A1 ARG 286 HD2 -0.05 -0.03 -0.01 -0.04 3.22 3.09 2r00A1 ARG 286 HD3 -0.06 -0.00 -0.01 -0.04 3.22 3.11 2r00A1 ASP 287 H 0.08 0.11 0.11 -0.55 8.40 8.15 2r00A1 ASP 287 HA 0.06 0.17 0.73 -0.75 4.63 4.84 2r00A1 ASP 287 HB2 0.02 -0.04 0.16 -0.04 2.71 2.81 2r00A1 ASP 287 HB3 0.03 0.06 0.07 -0.04 2.70 2.82 2r00A1 ALA 288 H 0.04 0.12 0.11 -0.55 8.40 8.13 2r00A1 ALA 288 HA 0.15 0.08 0.32 -0.75 4.34 4.14 2r00A1 ALA 288 HB3 0.04 0.01 0.08 -0.04 1.41 1.49 2r00A1 GLY 289 H 0.04 -0.01 -0.34 -0.55 8.43 7.57 2r00A1 GLY 289 HA2 -0.01 -0.03 0.26 -0.51 4.01 3.73 2r00A1 GLY 289 HA3 -0.01 0.14 0.23 -0.51 4.01 3.86 2r00A1 GLY 290 H -0.06 0.53 0.16 -0.55 8.43 8.52 2r00A1 GLY 290 HA2 -0.29 0.10 0.44 -0.51 4.01 3.75 2r00A1 GLY 290 HA3 -0.50 0.01 0.18 -0.51 4.01 3.19 2r00A1 LYS 291 H -0.06 0.15 0.06 -0.55 8.42 8.02 2r00A1 LYS 291 HA 0.02 0.10 0.56 -0.75 4.32 4.25 2r00A1 ASP 292 H 0.17 0.18 -0.06 -0.55 8.40 8.14 2r00A1 ASP 292 HA 0.10 0.14 0.71 -0.75 4.63 4.82 2r00A1 HIS 293 H 0.20 0.22 -0.13 -0.55 8.41 8.16 2r00A1 HIS 293 HA 0.05 0.28 0.87 -0.75 4.63 5.08 2r00A1 HIS 293 HB2 0.06 -0.09 -0.07 -0.04 3.26 3.13 2r00A1 HIS 293 HB3 0.07 0.09 -0.15 -0.04 3.20 3.17 2r00A1 HIS 293 HD2 0.03 0.10 -0.28 -0.04 6.97 6.77 2r00A1 HIS 293 HE1 0.02 0.01 -0.04 -0.04 7.75 7.70 2r00A1 VAL 294 H 0.05 0.92 0.34 -0.55 8.24 9.00 2r00A1 VAL 294 HA 0.11 0.06 0.76 -0.75 4.13 4.30 2r00A1 VAL 294 HB 0.05 0.09 0.10 -0.04 2.12 2.32 2r00A1 VAL 294 HG13 0.08 -0.01 -0.13 -0.04 0.97 0.87 2r00A1 VAL 294 HG23 0.03 -0.02 -0.08 -0.04 0.95 0.84 2r00A1 LEU 295 H 0.14 0.49 0.35 -0.55 8.37 8.80 2r00A1 LEU 295 HA 0.30 0.23 0.79 -0.75 4.35 4.91 2r00A1 LEU 295 HB2 0.11 0.06 0.29 -0.04 1.64 2.05 2r00A1 LEU 295 HB3 0.07 -0.01 0.03 -0.04 1.64 1.68 2r00A1 LEU 295 HG 0.23 0.03 0.01 -0.04 1.64 1.87 2r00A1 LEU 295 HD13 0.24 0.07 -0.10 -0.04 0.93 1.10 2r00A1 LEU 295 HD23 0.07 -0.02 0.01 -0.04 0.89 0.90 2r00A1 VAL 296 H 0.29 0.81 0.45 -0.55 8.24 9.25 2r00A1 VAL 296 HA 0.17 0.31 1.14 -0.75 4.13 5.00 2r00A1 VAL 296 HB 0.14 -0.01 0.04 -0.04 2.12 2.25 2r00A1 VAL 296 HG13 0.13 0.00 -0.05 -0.04 0.97 1.00 2r00A1 VAL 296 HG23 0.11 0.01 -0.24 -0.04 0.95 0.80 2r00A1 GLY 297 H 0.18 0.61 0.39 -0.55 8.43 9.07 2r00A1 GLY 297 HA2 0.15 0.21 0.61 -0.51 4.01 4.47 2r00A1 GLY 297 HA3 0.10 -0.00 0.43 -0.51 4.01 4.02 2r00A1 ARG 298 H 0.05 0.21 0.17 -0.55 8.46 8.33 2r00A1 ARG 298 HA 0.02 0.05 0.30 -0.75 4.34 3.96 2r00A1 ARG 298 HB2 -0.15 -0.03 -0.03 -0.04 1.90 1.64 2r00A1 ARG 298 HB3 0.06 0.04 0.03 -0.04 1.80 1.89 2r00A1 ARG 298 HG2 0.07 0.01 0.06 -0.04 1.67 1.77 2r00A1 ARG 298 HG3 -0.03 0.02 0.02 -0.04 1.67 1.64 2r00A1 ARG 298 HD2 -0.17 -0.00 -0.02 -0.04 3.22 2.99 2r00A1 ARG 298 HD3 -0.23 -0.00 -0.02 -0.04 3.22 2.93 2r00A1 VAL 299 H 0.08 0.05 -0.17 -0.55 8.24 7.65 2r00A1 VAL 299 HA 0.10 0.42 0.81 -0.75 4.13 4.71 2r00A1 VAL 299 HB 0.06 -0.06 0.09 -0.04 2.12 2.17 2r00A1 VAL 299 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.84 2r00A1 VAL 299 HG23 0.10 -0.02 -0.11 -0.04 0.95 0.87 2r00A1 ARG 300 H 0.06 0.68 0.43 -0.55 8.46 9.08 2r00A1 ARG 300 HA 0.00 -0.05 0.74 -0.75 4.34 4.27 2r00A1 ARG 300 HB2 0.02 -0.02 0.08 -0.04 1.90 1.94 2r00A1 ARG 300 HB3 0.04 0.06 -0.30 -0.04 1.80 1.56 2r00A1 ARG 300 HG2 0.09 0.09 -0.04 -0.04 1.67 1.78 2r00A1 ARG 300 HG3 0.07 0.07 -0.16 -0.04 1.67 1.61 2r00A1 ARG 300 HD2 0.04 -0.04 -0.09 -0.04 3.22 3.09 2r00A1 ARG 300 HD3 0.05 -0.02 -0.22 -0.04 3.22 2.98 2r00A1 ASN 301 H -0.08 -0.00 0.22 -0.55 8.53 8.12 2r00A1 ASN 301 HA -0.07 0.28 0.90 -0.75 4.76 5.12 2r00A1 ASN 301 HB2 -0.32 -0.15 0.12 -0.04 2.88 2.49 2r00A1 ASN 301 HB3 -0.26 0.25 0.13 -0.04 2.79 2.87 2r00A1 ASN 301 HD21 -0.18 0.58 0.30 -0.04 7.03 7.69 2r00A1 ASN 301 HD22 -0.18 0.36 0.23 -0.04 7.74 8.11 2r00A1 ASP 302 H 0.07 0.53 0.22 -0.55 8.40 8.67 2r00A1 ASP 302 HA 0.12 0.04 0.65 -0.75 4.63 4.69 2r00A1 ASP 302 HB2 0.31 0.20 0.23 -0.04 2.71 3.41 2r00A1 ASP 302 HB3 0.21 0.02 0.00 -0.04 2.70 2.89 2r00A1 ILE 303 H 0.09 0.13 0.09 -0.55 8.25 8.01 2r00A1 ILE 303 HA 0.10 0.00 0.38 -0.75 4.18 3.91 2r00A1 ILE 303 HB 0.06 0.01 0.13 -0.04 1.89 2.05 2r00A1 ILE 303 HG12 0.05 0.00 0.03 -0.04 1.49 1.54 2r00A1 ILE 303 HG13 0.06 0.03 0.07 -0.04 1.21 1.33 2r00A1 ILE 303 HG23 0.06 0.00 -0.10 -0.04 0.93 0.85 2r00A1 ILE 303 HD13 0.04 0.01 0.02 -0.04 0.88 0.91 2r00A1 SER 304 H 0.16 0.11 0.17 -0.55 8.46 8.36 2r00A1 SER 304 HA 0.10 -0.02 0.32 -0.75 4.49 4.15 2r00A1 SER 304 HB2 0.08 0.18 0.04 -0.04 3.95 4.20 2r00A1 SER 304 HB3 0.06 -0.01 0.20 -0.04 3.93 4.14 2r00A1 HIS 305 H 0.26 0.46 -0.60 -0.55 8.41 7.99 2r00A1 HIS 305 HA 0.10 0.10 0.74 -0.75 4.63 4.81 2r00A1 HIS 305 HB2 0.07 0.12 -0.22 -0.04 3.26 3.19 2r00A1 HIS 305 HB3 0.09 -0.04 -0.08 -0.04 3.20 3.13 2r00A1 HIS 305 HD2 0.14 -0.04 0.02 -0.04 6.97 7.06 2r00A1 HIS 305 HE1 0.05 0.07 -0.07 -0.04 7.75 7.75 2r00A1 HIS 306 H 0.14 0.19 0.02 -0.55 8.41 8.22 2r00A1 HIS 306 HA -0.06 0.23 0.57 -0.75 4.63 4.62 2r00A1 HIS 306 HB2 -0.03 0.03 0.06 -0.04 3.26 3.27 2r00A1 HIS 306 HB3 -0.04 -0.01 0.02 -0.04 3.20 3.13 2r00A1 HIS 306 HD2 0.02 -0.10 -0.13 -0.04 6.97 6.72 2r00A1 HIS 306 HE1 0.01 -0.02 0.05 -0.04 7.75 7.74 2r00A1 SER 307 H -0.33 0.07 -0.24 -0.55 8.46 7.41 2r00A1 SER 307 HA -0.11 0.23 0.75 -0.75 4.49 4.60 2r00A1 SER 307 HB2 -0.08 0.21 -0.05 -0.04 3.95 3.99 2r00A1 SER 307 HB3 -0.08 -0.05 -0.15 -0.04 3.93 3.61 2r00A1 GLY 308 H -0.35 0.33 -0.23 -0.55 8.43 7.64 2r00A1 GLY 308 HA2 -0.10 0.37 1.03 -0.51 4.01 4.79 2r00A1 GLY 308 HA3 0.19 -0.06 0.41 -0.51 4.01 4.05 2r00A1 ILE 309 H -0.23 0.65 0.31 -0.55 8.25 8.42 2r00A1 ILE 309 HA -0.03 0.14 1.00 -0.75 4.18 4.53 2r00A1 ILE 309 HB -0.07 0.03 0.01 -0.04 1.89 1.81 2r00A1 ILE 309 HG12 -0.08 0.10 -0.22 -0.04 1.49 1.25 2r00A1 ILE 309 HG13 -0.04 0.01 -0.13 -0.04 1.21 1.00 2r00A1 ILE 309 HG23 -0.01 -0.01 -0.21 -0.04 0.93 0.66 2r00A1 ILE 309 HD13 -0.04 -0.03 -0.16 -0.04 0.88 0.61 2r00A1 ASN 310 H 0.04 0.62 0.39 -0.55 8.53 9.04 2r00A1 ASN 310 HA 0.09 0.35 1.17 -0.75 4.76 5.62 2r00A1 ASN 310 HB2 0.14 0.05 0.15 -0.04 2.88 3.17 2r00A1 ASN 310 HB3 0.20 -0.01 0.08 -0.04 2.79 3.02 2r00A1 ASN 310 HD21 0.24 -0.09 -0.23 -0.04 7.03 6.90 2r00A1 ASN 310 HD22 0.13 0.20 -0.39 -0.04 7.74 7.63 2r00A1 LEU 311 H 0.11 0.62 0.44 -0.55 8.37 8.99 2r00A1 LEU 311 HA 0.22 0.25 0.45 -0.75 4.35 4.52 2r00A1 LEU 311 HB2 0.14 0.04 0.07 -0.04 1.64 1.85 2r00A1 LEU 311 HB3 0.10 0.02 -0.09 -0.04 1.64 1.63 2r00A1 LEU 311 HG 0.06 -0.07 -0.18 -0.04 1.64 1.41 2r00A1 LEU 311 HD13 0.08 0.01 -0.20 -0.04 0.93 0.78 2r00A1 LEU 311 HD23 0.04 -0.00 -0.28 -0.04 0.89 0.61 2r00A1 TRP 312 H 0.38 0.65 0.32 -0.55 7.97 8.77 2r00A1 TRP 312 HA 0.07 0.25 1.13 -0.75 4.62 5.31 2r00A1 TRP 312 HB2 0.03 -0.03 0.04 -0.04 3.23 3.23 2r00A1 TRP 312 HB3 0.04 -0.01 0.00 -0.04 3.23 3.22 2r00A1 TRP 312 HD1 0.05 0.02 -0.30 -0.04 7.22 6.94 2r00A1 TRP 312 HE1 0.05 0.01 -0.05 -0.04 10.20 10.17 2r00A1 TRP 312 HE3 0.04 0.01 -0.11 -0.04 7.59 7.48 2r00A1 TRP 312 HZ2 0.05 0.00 -0.04 -0.04 7.44 7.41 2r00A1 TRP 312 HZ3 -0.27 -0.03 -0.13 -0.04 7.13 6.67 2r00A1 TRP 312 HH2 -0.17 -0.01 -0.08 -0.04 7.19 6.89 2r00A1 VAL 313 H 0.14 0.62 0.38 -0.55 8.24 8.82 2r00A1 VAL 313 HA 0.15 0.37 1.04 -0.75 4.13 4.93 2r00A1 VAL 313 HB 0.07 -0.10 -0.01 -0.04 2.12 2.04 2r00A1 VAL 313 HG13 0.10 0.02 -0.24 -0.04 0.97 0.80 2r00A1 VAL 313 HG23 0.08 0.01 -0.30 -0.04 0.95 0.70 2r00A1 VAL 314 H 0.13 0.81 0.40 -0.55 8.24 9.02 2r00A1 VAL 314 HA 0.13 0.22 1.14 -0.75 4.13 4.88 2r00A1 VAL 314 HB 0.05 0.01 0.07 -0.04 2.12 2.21 2r00A1 VAL 314 HG13 0.04 -0.00 -0.15 -0.04 0.97 0.81 2r00A1 VAL 314 HG23 0.15 -0.02 -0.17 -0.04 0.95 0.87 2r00A1 ALA 315 H 0.16 0.65 0.29 -0.55 8.40 8.95 2r00A1 ALA 315 HA 0.10 0.20 0.69 -0.75 4.34 4.57 2r00A1 ALA 315 HB3 0.13 -0.01 -0.03 -0.04 1.41 1.46 2r00A1 ASP 316 H 0.06 0.23 0.06 -0.55 8.40 8.21 2r00A1 ASP 316 HA 0.02 0.12 0.68 -0.75 4.63 4.70 2r00A1 ASP 316 HB2 0.02 0.03 0.11 -0.04 2.71 2.83 2r00A1 ASP 316 HB3 0.03 0.01 0.16 -0.04 2.70 2.86 2r00A1 ASN 317 H 0.05 0.20 0.05 -0.55 8.53 8.29 2r00A1 ASN 317 HA 0.04 0.21 0.90 -0.75 4.76 5.15 2r00A1 ASN 317 HB2 0.03 0.13 0.11 -0.04 2.88 3.11 2r00A1 ASN 317 HB3 0.04 0.06 0.25 -0.04 2.79 3.10 2r00A1 ASN 317 HD21 0.03 -0.06 0.07 -0.04 7.03 7.02 2r00A1 ASN 317 HD22 0.03 0.12 0.08 -0.04 7.74 7.93 2r00A1 VAL 318 H 0.05 0.52 0.12 -0.55 8.24 8.39 2r00A1 VAL 318 HA 0.04 0.06 0.29 -0.75 4.13 3.76 2r00A1 VAL 318 HB 0.03 0.03 0.19 -0.04 2.12 2.32 2r00A1 VAL 318 HG13 -0.04 -0.02 -0.06 -0.04 0.97 0.81 2r00A1 VAL 318 HG23 0.09 0.05 -0.05 -0.04 0.95 1.01 2r00A1 ARG 319 H 0.02 0.30 -0.02 -0.55 8.46 8.22 2r00A1 ARG 319 HA 0.00 0.04 0.46 -0.75 4.34 4.09 2r00A1 ARG 319 HB2 0.02 0.06 0.02 -0.04 1.90 1.95 2r00A1 ARG 319 HB3 0.00 0.02 -0.03 -0.04 1.80 1.75 2r00A1 ARG 319 HG2 0.01 -0.02 -0.01 -0.04 1.67 1.61 2r00A1 ARG 319 HG3 0.02 0.06 -0.01 -0.04 1.67 1.70 2r00A1 ARG 319 HD2 0.02 0.09 -0.09 -0.04 3.22 3.19 2r00A1 ARG 319 HD3 0.01 -0.11 -0.19 -0.04 3.22 2.89 2r00A1 LYS 320 H 0.03 0.16 -0.28 -0.55 8.42 7.78 2r00A1 LYS 320 HA 0.02 0.05 0.37 -0.75 4.32 4.00 2r00A1 LYS 320 HB2 0.03 -0.05 0.07 -0.04 1.87 1.87 2r00A1 LYS 320 HB3 0.04 0.19 0.03 -0.04 1.79 2.01 2r00A1 LYS 320 HG2 0.05 -0.01 -0.24 -0.04 1.46 1.22 2r00A1 LYS 320 HG3 0.03 -0.03 0.01 -0.04 1.46 1.43 2r00A1 LYS 320 HD2 0.03 -0.04 -0.01 -0.04 1.69 1.63 2r00A1 LYS 320 HD3 0.04 0.11 -0.08 -0.04 1.68 1.71 2r00A1 LYS 320 HE2 0.04 -0.03 -0.07 -0.04 2.99 2.89 2r00A1 LYS 320 HE3 0.03 0.00 -0.06 -0.04 2.99 2.93 2r00A1 GLY 321 H 0.03 0.34 -0.22 -0.55 8.43 8.04 2r00A1 GLY 321 HA2 0.03 0.10 0.46 -0.51 4.01 4.09 2r00A1 GLY 321 HA3 0.03 0.06 0.26 -0.51 4.01 3.85 2r00A1 ALA 322 H 0.00 0.40 -0.07 -0.55 8.40 8.18 2r00A1 ALA 322 HA -0.01 0.08 0.42 -0.75 4.34 4.07 2r00A1 ALA 322 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2r00A1 ALA 323 H 0.00 0.55 -0.12 -0.55 8.40 8.29 2r00A1 ALA 323 HA -0.01 0.01 0.32 -0.75 4.34 3.90 2r00A1 ALA 323 HB3 -0.00 0.00 -0.03 -0.04 1.41 1.34 2r00A1 THR 324 H 0.01 0.55 -0.20 -0.55 8.28 8.09 2r00A1 THR 324 HA 0.01 0.01 0.41 -0.75 4.39 4.06 2r00A1 THR 324 HB 0.02 0.08 0.17 -0.04 4.32 4.56 2r00A1 THR 324 HG23 0.03 0.00 -0.05 -0.04 1.22 1.16 2r00A1 ASN 325 H 0.00 0.51 -0.19 -0.55 8.53 8.31 2r00A1 ASN 325 HA -0.01 0.02 0.43 -0.75 4.76 4.45 2r00A1 ASN 325 HB2 -0.01 0.08 0.12 -0.04 2.88 3.03 2r00A1 ASN 325 HB3 -0.01 0.06 0.10 -0.04 2.79 2.89 2r00A1 ASN 325 HD21 -0.03 0.41 0.24 -0.04 7.03 7.61 2r00A1 ASN 325 HD22 -0.02 -0.05 -0.08 -0.04 7.74 7.55 2r00A1 ALA 326 H -0.01 0.43 -0.22 -0.55 8.40 8.06 2r00A1 ALA 326 HA -0.03 0.02 0.36 -0.75 4.34 3.94 2r00A1 ALA 326 HB3 -0.02 0.04 0.05 -0.04 1.41 1.43 2r00A1 VAL 327 H -0.03 0.47 -0.12 -0.55 8.24 8.01 2r00A1 VAL 327 HA -0.12 0.02 0.50 -0.75 4.13 3.77 2r00A1 VAL 327 HB 0.00 0.07 0.08 -0.04 2.12 2.23 2r00A1 VAL 327 HG13 -0.00 0.01 -0.14 -0.04 0.97 0.79 2r00A1 VAL 327 HG23 -0.07 0.04 -0.03 -0.04 0.95 0.85 2r00A1 GLN 328 H 0.01 0.65 -0.10 -0.55 8.47 8.48 2r00A1 GLN 328 HA 0.04 0.03 0.41 -0.75 4.36 4.08 2r00A1 GLN 328 HB2 0.00 0.15 0.17 -0.04 2.15 2.43 2r00A1 GLN 328 HB3 0.01 -0.06 -0.03 -0.04 2.02 1.90 2r00A1 GLN 328 HG2 0.02 -0.01 0.02 -0.04 2.40 2.38 2r00A1 GLN 328 HG3 0.02 0.11 0.05 -0.04 2.39 2.53 2r00A1 GLN 328 HE21 -0.02 -0.02 -0.06 -0.04 6.97 6.83 2r00A1 GLN 328 HE22 0.00 0.03 -0.05 -0.04 7.69 7.63 2r00A1 ILE 329 H -0.01 0.51 -0.22 -0.55 8.25 7.98 2r00A1 ILE 329 HA 0.00 0.01 0.49 -0.75 4.18 3.93 2r00A1 ILE 329 HB -0.03 0.18 0.12 -0.04 1.89 2.11 2r00A1 ILE 329 HG12 -0.02 -0.08 -0.09 -0.04 1.49 1.26 2r00A1 ILE 329 HG13 -0.02 0.18 0.02 -0.04 1.21 1.36 2r00A1 ILE 329 HG23 -0.04 -0.02 -0.19 -0.04 0.93 0.64 2r00A1 ILE 329 HD13 -0.03 0.01 -0.12 -0.04 0.88 0.70 2r00A1 ALA 330 H -0.04 0.43 -0.17 -0.55 8.40 8.08 2r00A1 ALA 330 HA -0.06 0.00 0.32 -0.75 4.34 3.85 2r00A1 ALA 330 HB3 -0.18 0.03 0.05 -0.04 1.41 1.27 2r00A1 GLU 331 H 0.12 0.52 -0.21 -0.55 8.60 8.49 2r00A1 GLU 331 HA 0.11 0.05 0.45 -0.75 4.29 4.15 2r00A1 GLU 331 HB2 0.07 0.10 0.16 -0.04 2.09 2.38 2r00A1 GLU 331 HB3 0.04 -0.01 -0.01 -0.04 1.99 1.96 2r00A1 GLU 331 HG2 0.16 0.02 -0.01 -0.04 2.34 2.48 2r00A1 GLU 331 HG3 0.32 0.09 -0.03 -0.04 2.34 2.68 2r00A1 LEU 332 H 0.04 0.48 -0.16 -0.55 8.37 8.19 2r00A1 LEU 332 HA 0.03 0.03 0.43 -0.75 4.35 4.08 2r00A1 LEU 332 HB2 0.04 0.16 0.20 -0.04 1.64 2.00 2r00A1 LEU 332 HB3 0.09 -0.01 -0.04 -0.04 1.64 1.64 2r00A1 LEU 332 HG 0.05 -0.02 0.02 -0.04 1.64 1.64 2r00A1 LEU 332 HD13 0.02 0.01 -0.03 -0.04 0.93 0.88 2r00A1 LEU 332 HD23 0.03 0.01 0.01 -0.04 0.89 0.90 2r00A1 LEU 333 H 0.02 0.55 -0.15 -0.55 8.37 8.24 2r00A1 LEU 333 HA 0.20 0.02 0.35 -0.75 4.35 4.16 2r00A1 LEU 333 HB2 -0.09 0.03 0.01 -0.04 1.64 1.55 2r00A1 LEU 333 HB3 -0.10 0.06 0.11 -0.04 1.64 1.67 2r00A1 LEU 333 HG -0.03 0.02 -0.28 -0.04 1.64 1.31 2r00A1 LEU 333 HD13 -0.74 -0.01 -0.07 -0.04 0.93 0.07 2r00A1 LEU 333 HD23 -0.17 -0.01 -0.12 -0.04 0.89 0.55 2r00A1 VAL 334 H -0.13 0.61 -0.17 -0.55 8.24 8.00 2r00A1 VAL 334 HA -0.38 -0.02 0.35 -0.75 4.13 3.32 2r00A1 VAL 334 HB -0.30 0.23 0.20 -0.04 2.12 2.21 2r00A1 VAL 334 HG13 -0.34 -0.00 -0.14 -0.04 0.97 0.45 2r00A1 VAL 334 HG23 -1.36 -0.03 -0.02 -0.04 0.95 -0.50 2r00A1 ARG 335 H -0.04 0.39 -0.27 -0.55 8.46 7.99 2r00A1 ARG 335 HA -0.01 0.04 0.39 -0.75 4.34 4.00 2r00A1 ARG 335 HB2 -0.03 0.16 0.15 -0.04 1.90 2.14 2r00A1 ARG 335 HB3 -0.02 0.03 0.15 -0.04 1.80 1.92 2r00A1 ARG 335 HG2 -0.02 -0.01 0.02 -0.04 1.67 1.62 2r00A1 ARG 335 HG3 -0.02 -0.03 0.01 -0.04 1.67 1.60 2r00A1 ARG 335 HD2 -0.03 0.04 -0.09 -0.04 3.22 3.09 2r00A1 ARG 335 HD3 -0.02 -0.04 -0.06 -0.04 3.22 3.05 2r00A1 ASP 336 H -0.01 0.51 -0.08 -0.55 8.40 8.27 2r00A1 ASP 336 HA -0.16 0.14 0.58 -0.75 4.63 4.44 2r00A1 ASP 336 HB2 -0.44 0.10 0.04 -0.04 2.71 2.37 2r00A1 ASP 336 HB3 -0.57 -0.05 0.07 -0.04 2.70 2.11 2r00A1 TYR 337 H 0.13 0.33 -0.08 -0.55 8.29 8.13 2r00A1 TYR 337 HA 0.07 0.17 0.95 -0.75 4.56 4.99 2r00A1 TYR 337 HB2 -0.03 0.13 0.03 -0.04 3.06 3.15 2r00A1 TYR 337 HB3 0.15 -0.05 0.10 -0.04 2.98 3.14 2r00A1 TYR 337 HD2 0.11 0.05 0.01 -0.04 7.15 7.27 2r00A1 TYR 337 HE2 0.07 -0.03 -0.09 -0.04 6.85 6.77 2r00A1 PHE 338 H 0.28 0.20 -0.13 -0.55 8.34 8.13 2r00A1 PHE 338 HA 0.13 0.22 0.79 -0.75 4.62 5.00 2r00A1 PHE 338 HB2 -0.02 0.15 0.13 -0.04 3.15 3.38 2r00A1 PHE 338 HB3 0.35 -0.03 0.05 -0.04 3.06 3.39 2r00A1 PHE 338 HD2 0.08 0.04 -0.21 -0.04 7.28 7.15 2r00A1 PHE 338 HE2 -0.02 -0.02 -0.07 -0.04 7.38 7.22 2r00A1 PHE 338 HZ 0.03 0.08 -0.01 -0.04 7.32 7.37