============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 37 1.000 -22.478 16.033 -12.610 -99.200 -91.000 TRP 57 1.040 -28.040 13.634 9.901 -99.200 -91.000 TRP6 57 1.020 -26.183 12.184 10.176 -99.200 -91.000 TYR 71 0.840 -17.488 13.867 1.167 -99.200 -91.000 HIS 73 0.900 -17.348 21.806 0.822 -99.200 -91.000 TYR 77 0.840 -8.622 23.713 3.082 -99.200 -91.000 HIS 85 0.900 -17.899 18.781 -3.387 -99.200 -91.000 TYR 105 0.840 -15.097 22.906 4.562 -99.200 -91.000 HIS 111 0.900 -16.186 32.802 8.421 -99.200 -91.000 PHE 113 1.000 -4.496 26.857 9.632 -99.200 -91.000 TYR 124 0.840 -14.535 11.922 15.181 -99.200 -91.000 TRP 126 1.040 -23.815 17.711 16.477 -99.200 -91.000 TRP6 126 1.020 -24.908 16.243 14.946 -99.200 -91.000 PHE 132 1.000 -24.671 8.755 14.274 -99.200 -91.000 HIS 136 0.900 -21.301 1.322 15.567 -99.200 -91.000 TRP 173 1.040 -3.582 21.615 -1.757 -99.200 -91.000 TRP6 173 1.020 -4.822 23.659 -1.611 -99.200 -91.000 PHE 183 1.000 1.167 21.016 -7.046 -99.200 -91.000 TYR 201 0.840 -7.482 26.762 5.077 -99.200 -91.000 HIS 209 0.900 -0.827 24.539 12.026 -99.200 -91.000 TYR 211 0.840 -3.680 20.893 14.180 -99.200 -91.000 PHE 216 1.000 5.070 19.674 4.822 -99.200 -91.000 HIS 228 0.900 -10.240 5.405 -4.340 -99.200 -91.000 TRP 258 1.040 -8.616 3.940 -8.732 -99.200 -91.000 TRP6 258 1.020 -10.537 2.856 -9.554 -99.200 -91.000 HIS 263 0.900 -9.066 17.255 -7.792 -99.200 -91.000 TRP 265 1.040 -11.807 8.300 -10.579 -99.200 -91.000 TRP6 265 1.020 -9.963 8.377 -9.086 -99.200 -91.000 HIS 266 0.900 -13.327 9.006 -6.421 -99.200 -91.000 PHE 268 1.000 -15.986 14.938 -13.628 -99.200 -91.000 HIS 269 0.900 -21.860 9.929 -9.423 -99.200 -91.000 PHE 285 1.000 -10.246 1.382 3.500 -99.200 -91.000 TRP 290 1.040 -17.639 1.610 9.961 -99.200 -91.000 TRP6 290 1.020 -18.920 2.707 8.278 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h17A1 ALA 2 HA -0.03 -0.07 0.14 -0.75 4.34 3.63 3h17A1 ALA 2 HB3 -0.02 -0.02 0.05 -0.04 1.41 1.38 3h17A1 GLY 3 H -0.03 0.28 0.22 -0.55 8.43 8.36 3h17A1 GLY 3 HA2 -0.01 0.15 0.00 -0.51 4.01 3.64 3h17A1 GLY 3 HA3 -0.01 0.02 0.54 -0.51 4.01 4.04 3h17A1 PRO 4 HA -0.01 0.18 0.43 -0.51 4.44 4.52 3h17A1 PRO 4 HB2 -0.01 0.06 0.04 -0.04 2.28 2.33 3h17A1 PRO 4 HB3 -0.01 0.08 0.02 -0.04 2.02 2.07 3h17A1 PRO 4 HG2 -0.00 0.07 0.03 -0.04 2.03 2.08 3h17A1 PRO 4 HG3 -0.00 0.11 0.07 -0.04 2.03 2.16 3h17A1 PRO 4 HD2 0.00 -0.02 0.25 -0.04 3.68 3.86 3h17A1 PRO 4 HD3 -0.00 0.20 0.22 -0.04 3.65 4.03 3h17A1 GLU 5 H -0.00 0.15 0.10 -0.55 8.60 8.30 3h17A1 GLU 5 HA -0.01 0.19 0.72 -0.75 4.29 4.43 3h17A1 GLU 5 HB2 0.01 -0.11 0.23 -0.04 2.09 2.18 3h17A1 GLU 5 HB3 0.01 0.11 0.14 -0.04 1.99 2.21 3h17A1 GLU 5 HG2 0.01 0.25 0.19 -0.04 2.34 2.75 3h17A1 GLU 5 HG3 0.00 0.02 0.12 -0.04 2.34 2.44 3h17A1 ILE 6 H -0.02 0.00 -0.10 -0.55 8.25 7.58 3h17A1 ILE 6 HA -0.05 0.12 0.49 -0.75 4.18 3.99 3h17A1 ILE 6 HB -0.05 0.12 -0.15 -0.04 1.89 1.77 3h17A1 ILE 6 HG12 -0.04 -0.02 -0.01 -0.04 1.49 1.38 3h17A1 ILE 6 HG13 -0.02 0.00 0.01 -0.04 1.21 1.15 3h17A1 ILE 6 HG23 -0.05 0.05 0.05 -0.04 0.93 0.94 3h17A1 ILE 6 HD13 -0.04 0.05 -0.01 -0.04 0.88 0.84 3h17A1 VAL 7 H -0.03 0.09 -0.37 -0.55 8.24 7.38 3h17A1 VAL 7 HA -0.03 0.10 0.58 -0.75 4.13 4.03 3h17A1 VAL 7 HB -0.02 0.09 0.21 -0.04 2.12 2.36 3h17A1 VAL 7 HG13 -0.02 0.01 -0.13 -0.04 0.97 0.78 3h17A1 VAL 7 HG23 -0.02 0.03 0.10 -0.04 0.95 1.02 3h17A1 LYS 8 H -0.02 0.54 -0.00 -0.55 8.42 8.38 3h17A1 LYS 8 HA -0.02 0.04 0.41 -0.75 4.32 3.99 3h17A1 LYS 8 HB2 -0.02 0.05 0.21 -0.04 1.87 2.07 3h17A1 LYS 8 HB3 -0.02 0.07 0.08 -0.04 1.79 1.88 3h17A1 LYS 8 HG2 -0.01 0.01 0.04 -0.04 1.46 1.46 3h17A1 LYS 8 HG3 -0.01 -0.03 0.11 -0.04 1.46 1.48 3h17A1 LYS 8 HD2 -0.01 0.00 0.04 -0.04 1.69 1.68 3h17A1 LYS 8 HD3 -0.01 -0.02 0.05 -0.04 1.68 1.66 3h17A1 LYS 8 HE2 -0.01 0.01 0.04 -0.04 2.99 2.99 3h17A1 LYS 8 HE3 -0.01 0.01 0.03 -0.04 2.99 2.99 3h17A1 LEU 9 H -0.05 0.19 -0.52 -0.55 8.37 7.44 3h17A1 LEU 9 HA -0.08 0.08 0.37 -0.75 4.35 3.96 3h17A1 LEU 9 HB2 -0.09 0.05 0.06 -0.04 1.64 1.62 3h17A1 LEU 9 HB3 -0.11 -0.03 0.19 -0.04 1.64 1.66 3h17A1 LEU 9 HG -0.32 0.00 -0.25 -0.04 1.64 1.03 3h17A1 LEU 9 HD13 -0.41 0.00 -0.00 -0.04 0.93 0.48 3h17A1 LEU 9 HD23 -0.37 -0.02 -0.05 -0.04 0.89 0.41 3h17A1 LYS 10 H -0.07 0.82 0.07 -0.55 8.42 8.68 3h17A1 LYS 10 HA -0.08 0.02 0.77 -0.75 4.32 4.28 3h17A1 LYS 10 HB2 -0.04 0.10 0.27 -0.04 1.87 2.15 3h17A1 LYS 10 HB3 -0.04 -0.01 0.02 -0.04 1.79 1.73 3h17A1 LYS 10 HG2 -0.05 -0.04 0.11 -0.04 1.46 1.44 3h17A1 LYS 10 HG3 -0.06 0.01 0.11 -0.04 1.46 1.48 3h17A1 LYS 10 HD2 -0.03 -0.04 0.04 -0.04 1.69 1.61 3h17A1 LYS 10 HD3 -0.03 0.13 0.05 -0.04 1.68 1.79 3h17A1 LYS 10 HE2 -0.04 -0.02 -0.02 -0.04 2.99 2.87 3h17A1 LYS 10 HE3 -0.04 -0.07 -0.02 -0.04 2.99 2.81 3h17A1 LYS 11 H -0.04 0.46 -0.29 -0.55 8.42 7.99 3h17A1 LYS 11 HA -0.02 0.01 0.31 -0.75 4.32 3.86 3h17A1 LYS 11 HB2 -0.02 0.01 0.12 -0.04 1.87 1.94 3h17A1 LYS 11 HB3 -0.02 0.22 0.18 -0.04 1.79 2.12 3h17A1 LYS 11 HG2 -0.01 0.00 -0.06 -0.04 1.46 1.35 3h17A1 LYS 11 HG3 -0.01 -0.03 -0.05 -0.04 1.46 1.32 3h17A1 LYS 11 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.65 3h17A1 LYS 11 HD3 -0.01 -0.02 0.00 -0.04 1.68 1.60 3h17A1 LYS 11 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 3h17A1 LYS 11 HE3 -0.01 -0.00 0.00 -0.04 2.99 2.94 3h17A1 ILE 12 H -0.04 0.35 -0.17 -0.55 8.25 7.84 3h17A1 ILE 12 HA -0.02 0.01 0.35 -0.75 4.18 3.77 3h17A1 ILE 12 HB -0.05 0.08 0.17 -0.04 1.89 2.05 3h17A1 ILE 12 HG12 -0.03 0.44 0.11 -0.04 1.49 1.97 3h17A1 ILE 12 HG13 -0.01 -0.07 0.01 -0.04 1.21 1.10 3h17A1 ILE 12 HG23 0.00 -0.02 -0.04 -0.04 0.93 0.83 3h17A1 ILE 12 HD13 -0.01 -0.05 0.00 -0.04 0.88 0.79 3h17A1 LEU 13 H -0.06 0.38 -0.35 -0.55 8.37 7.80 3h17A1 LEU 13 HA -0.02 0.02 0.33 -0.75 4.35 3.92 3h17A1 LEU 13 HB2 -0.06 0.06 0.22 -0.04 1.64 1.81 3h17A1 LEU 13 HB3 -0.02 -0.10 0.04 -0.04 1.64 1.52 3h17A1 LEU 13 HG -0.17 0.28 0.13 -0.04 1.64 1.84 3h17A1 LEU 13 HD13 -0.36 -0.04 -0.03 -0.04 0.93 0.46 3h17A1 LEU 13 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 3h17A1 ARG 14 H -0.03 0.42 0.11 -0.55 8.46 8.41 3h17A1 ARG 14 HA -0.01 -0.02 0.64 -0.75 4.34 4.19 3h17A1 ARG 14 HB2 -0.02 0.12 0.15 -0.04 1.90 2.11 3h17A1 ARG 14 HB3 -0.01 -0.02 -0.02 -0.04 1.80 1.71 3h17A1 ARG 14 HG2 -0.01 -0.02 0.05 -0.04 1.67 1.64 3h17A1 ARG 14 HG3 -0.01 -0.05 0.07 -0.04 1.67 1.64 3h17A1 ARG 14 HD2 -0.02 -0.01 -0.08 -0.04 3.22 3.07 3h17A1 ARG 14 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.10 3h17A1 GLU 15 H -0.01 0.49 -0.21 -0.55 8.60 8.32 3h17A1 GLU 15 HA -0.01 0.04 0.33 -0.75 4.29 3.91 3h17A1 GLU 15 HB2 -0.00 -0.04 0.01 -0.04 2.09 2.02 3h17A1 GLU 15 HB3 -0.01 -0.10 0.09 -0.04 1.99 1.94 3h17A1 GLU 15 HG2 -0.01 0.42 0.17 -0.04 2.34 2.87 3h17A1 GLU 15 HG3 -0.01 0.19 0.17 -0.04 2.34 2.64 3h17A1 LYS 16 H -0.01 0.26 -0.25 -0.55 8.42 7.88 3h17A1 LYS 16 HA -0.00 0.09 0.74 -0.75 4.32 4.39 3h17A1 LYS 16 HB2 0.00 0.02 0.08 -0.04 1.87 1.93 3h17A1 LYS 16 HB3 0.00 -0.10 0.03 -0.04 1.79 1.68 3h17A1 LYS 16 HG2 0.00 -0.03 -0.06 -0.04 1.46 1.33 3h17A1 LYS 16 HG3 0.00 0.11 0.02 -0.04 1.46 1.55 3h17A1 LYS 16 HD2 0.00 -0.02 0.00 -0.04 1.69 1.64 3h17A1 LYS 16 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.59 3h17A1 LYS 16 HE2 0.02 0.01 -0.04 -0.04 2.99 2.94 3h17A1 LYS 16 HE3 0.00 -0.03 -0.03 -0.04 2.99 2.90 3h17A1 ALA 17 H -0.00 0.47 0.10 -0.55 8.40 8.42 3h17A1 ALA 17 HA 0.00 -0.12 0.55 -0.75 4.34 4.01 3h17A1 ALA 17 HB3 -0.00 -0.03 0.13 -0.04 1.41 1.47 3h17A1 VAL 18 H -0.00 -0.08 0.16 -0.55 8.24 7.77 3h17A1 VAL 18 HA -0.00 0.09 0.51 -0.75 4.13 3.98 3h17A1 VAL 18 HB -0.00 -0.03 0.13 -0.04 2.12 2.19 3h17A1 VAL 18 HG13 -0.00 -0.01 0.02 -0.04 0.97 0.93 3h17A1 VAL 18 HG23 -0.00 -0.03 0.03 -0.04 0.95 0.91 3h17A1 PRO 19 HA -0.00 0.14 0.56 -0.51 4.44 4.63 3h17A1 PRO 19 HB2 -0.00 0.05 0.03 -0.04 2.28 2.31 3h17A1 PRO 19 HB3 -0.00 0.04 0.13 -0.04 2.02 2.15 3h17A1 PRO 19 HG2 -0.00 -0.01 0.06 -0.04 2.03 2.04 3h17A1 PRO 19 HG3 -0.00 0.08 0.04 -0.04 2.03 2.10 3h17A1 PRO 19 HD2 -0.00 0.00 0.18 -0.04 3.68 3.82 3h17A1 PRO 19 HD3 -0.00 0.23 0.02 -0.04 3.65 3.85 3h17A1 PRO 20 HA -0.00 -0.04 0.54 -0.51 4.44 4.42 3h17A1 PRO 20 HB2 0.00 0.02 0.15 -0.04 2.28 2.40 3h17A1 PRO 20 HB3 0.00 0.03 0.09 -0.04 2.02 2.09 3h17A1 PRO 20 HG2 -0.00 0.04 0.10 -0.04 2.03 2.13 3h17A1 PRO 20 HG3 -0.00 0.06 0.08 -0.04 2.03 2.13 3h17A1 PRO 20 HD2 -0.00 0.17 0.12 -0.04 3.68 3.93 3h17A1 PRO 20 HD3 -0.00 0.20 -0.19 -0.04 3.65 3.61 3h17A1 GLY 21 H -0.00 0.11 0.15 -0.55 8.43 8.15 3h17A1 GLY 21 HA2 0.00 0.00 0.32 -0.51 4.01 3.83 3h17A1 GLY 21 HA3 0.00 0.03 0.20 -0.51 4.01 3.73 3h17A1 THR 22 H -0.00 0.12 -0.49 -0.55 8.28 7.36 3h17A1 THR 22 HA 0.00 0.16 0.72 -0.75 4.39 4.52 3h17A1 THR 22 HB 0.00 -0.05 0.09 -0.04 4.32 4.32 3h17A1 THR 22 HG23 0.00 0.02 -0.03 -0.04 1.22 1.17 3h17A1 GLU 23 H 0.00 0.20 -0.02 -0.55 8.60 8.24 3h17A1 GLU 23 HA 0.01 0.14 0.44 -0.75 4.29 4.12 3h17A1 GLU 23 HB2 0.00 0.02 0.03 -0.04 2.09 2.10 3h17A1 GLU 23 HB3 0.01 -0.02 0.13 -0.04 1.99 2.06 3h17A1 GLU 23 HG2 0.01 0.06 -0.13 -0.04 2.34 2.23 3h17A1 GLU 23 HG3 0.01 -0.01 -0.04 -0.04 2.34 2.26 3h17A1 VAL 24 H 0.01 0.18 0.11 -0.55 8.24 7.99 3h17A1 VAL 24 HA 0.00 0.18 0.46 -0.75 4.13 4.02 3h17A1 VAL 24 HB 0.01 -0.03 0.11 -0.04 2.12 2.16 3h17A1 VAL 24 HG13 0.00 0.05 -0.10 -0.04 0.97 0.88 3h17A1 VAL 24 HG23 0.00 0.02 -0.14 -0.04 0.95 0.79 3h17A1 PRO 25 HA 0.01 0.10 0.50 -0.51 4.44 4.55 3h17A1 PRO 25 HB2 0.01 -0.21 0.08 -0.04 2.28 2.12 3h17A1 PRO 25 HB3 0.01 0.04 0.18 -0.04 2.02 2.20 3h17A1 PRO 25 HG2 0.00 0.05 0.12 -0.04 2.03 2.17 3h17A1 PRO 25 HG3 0.01 0.10 0.14 -0.04 2.03 2.24 3h17A1 PRO 25 HD2 0.00 0.05 0.23 -0.04 3.68 3.93 3h17A1 PRO 25 HD3 0.01 0.36 0.32 -0.04 3.65 4.29 3h17A1 LEU 26 H 0.02 0.17 0.21 -0.55 8.37 8.22 3h17A1 LEU 26 HA 0.02 0.18 0.58 -0.75 4.35 4.38 3h17A1 LEU 26 HB2 0.03 0.03 0.18 -0.04 1.64 1.83 3h17A1 LEU 26 HB3 0.02 -0.01 0.08 -0.04 1.64 1.69 3h17A1 LEU 26 HG 0.05 0.02 0.06 -0.04 1.64 1.73 3h17A1 LEU 26 HD13 0.04 0.03 0.03 -0.04 0.93 0.98 3h17A1 LEU 26 HD23 0.04 0.02 0.07 -0.04 0.89 0.98 3h17A1 ASP 27 H 0.01 0.12 0.03 -0.55 8.40 8.02 3h17A1 ASP 27 HA 0.01 0.18 0.69 -0.75 4.63 4.75 3h17A1 ASP 27 HB2 0.00 0.04 0.08 -0.04 2.71 2.79 3h17A1 ASP 27 HB3 0.01 0.06 0.10 -0.04 2.70 2.83 3h17A1 VAL 28 H 0.01 0.01 -0.41 -0.55 8.24 7.30 3h17A1 VAL 28 HA -0.00 0.08 0.35 -0.75 4.13 3.80 3h17A1 VAL 28 HB 0.00 0.02 0.06 -0.04 2.12 2.16 3h17A1 VAL 28 HG13 0.00 0.02 -0.14 -0.04 0.97 0.81 3h17A1 VAL 28 HG23 0.00 0.00 0.01 -0.04 0.95 0.92 3h17A1 MET 29 H 0.01 0.56 -0.16 -0.55 8.47 8.33 3h17A1 MET 29 HA 0.00 0.05 0.48 -0.75 4.52 4.30 3h17A1 MET 29 HB2 0.01 0.11 0.17 -0.04 2.15 2.41 3h17A1 MET 29 HB3 0.01 -0.05 -0.03 -0.04 2.03 1.92 3h17A1 MET 29 HG2 0.00 -0.04 0.03 -0.04 2.63 2.58 3h17A1 MET 29 HG3 0.01 0.04 -0.02 -0.04 2.56 2.55 3h17A1 MET 29 HE3 0.03 0.05 -0.09 -0.04 2.10 2.05 3h17A1 ARG 30 H 0.01 0.46 -0.22 -0.55 8.46 8.15 3h17A1 ARG 30 HA -0.00 -0.05 0.37 -0.75 4.34 3.91 3h17A1 ARG 30 HB2 0.00 0.07 0.22 -0.04 1.90 2.14 3h17A1 ARG 30 HB3 -0.01 -0.04 -0.03 -0.04 1.80 1.68 3h17A1 ARG 30 HG2 0.00 -0.07 0.13 -0.04 1.67 1.69 3h17A1 ARG 30 HG3 0.01 -0.00 0.12 -0.04 1.67 1.76 3h17A1 ARG 30 HD2 0.02 -0.03 -0.08 -0.04 3.22 3.08 3h17A1 ARG 30 HD3 0.01 -0.06 0.02 -0.04 3.22 3.15 3h17A1 LYS 31 H -0.01 0.49 -0.18 -0.55 8.42 8.17 3h17A1 LYS 31 HA -0.02 0.03 0.48 -0.75 4.32 4.06 3h17A1 LYS 31 HB2 -0.01 0.08 0.14 -0.04 1.87 2.04 3h17A1 LYS 31 HB3 -0.01 -0.02 0.03 -0.04 1.79 1.75 3h17A1 LYS 31 HG2 -0.01 -0.04 0.01 -0.04 1.46 1.38 3h17A1 LYS 31 HG3 -0.01 0.16 0.09 -0.04 1.46 1.66 3h17A1 LYS 31 HD2 -0.00 -0.02 -0.08 -0.04 1.69 1.54 3h17A1 LYS 31 HD3 -0.01 -0.00 -0.02 -0.04 1.68 1.61 3h17A1 LYS 31 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 3h17A1 LYS 31 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.93 3h17A1 GLY 32 H -0.01 0.48 -0.06 -0.55 8.43 8.29 3h17A1 GLY 32 HA2 -0.02 0.03 0.45 -0.51 4.01 3.96 3h17A1 GLY 32 HA3 -0.01 0.13 0.29 -0.51 4.01 3.91 3h17A1 MET 33 H -0.02 0.41 -0.30 -0.55 8.47 8.02 3h17A1 MET 33 HA -0.05 0.05 0.27 -0.75 4.52 4.03 3h17A1 MET 33 HB2 -0.02 0.12 0.14 -0.04 2.15 2.36 3h17A1 MET 33 HB3 -0.03 -0.06 -0.03 -0.04 2.03 1.87 3h17A1 MET 33 HG2 -0.03 0.02 0.02 -0.04 2.63 2.59 3h17A1 MET 33 HG3 -0.01 0.03 -0.00 -0.04 2.56 2.54 3h17A1 MET 33 HE3 0.07 0.00 -0.06 -0.04 2.10 2.07 3h17A1 GLU 34 H -0.03 0.30 -0.25 -0.55 8.60 8.07 3h17A1 GLU 34 HA -0.05 -0.07 0.41 -0.75 4.29 3.83 3h17A1 GLU 34 HB2 -0.03 0.06 0.20 -0.04 2.09 2.28 3h17A1 GLU 34 HB3 -0.03 -0.04 0.02 -0.04 1.99 1.89 3h17A1 GLU 34 HG2 -0.04 0.27 0.11 -0.04 2.34 2.65 3h17A1 GLU 34 HG3 -0.03 -0.04 0.00 -0.04 2.34 2.23 3h17A1 LYS 35 H -0.03 1.09 0.03 -0.55 8.42 8.95 3h17A1 LYS 35 HA -0.03 0.00 0.34 -0.75 4.32 3.88 3h17A1 LYS 35 HB2 -0.02 -0.07 0.09 -0.04 1.87 1.83 3h17A1 LYS 35 HB3 -0.02 0.01 0.08 -0.04 1.79 1.81 3h17A1 LYS 35 HG2 -0.03 0.16 0.05 -0.04 1.46 1.60 3h17A1 LYS 35 HG3 -0.02 -0.04 -0.08 -0.04 1.46 1.28 3h17A1 LYS 35 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.58 3h17A1 LYS 35 HD3 -0.01 -0.05 -0.05 -0.04 1.68 1.53 3h17A1 LYS 35 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 3h17A1 LYS 35 HE3 -0.01 -0.07 -0.06 -0.04 2.99 2.81 3h17A1 VAL 36 H -0.07 0.42 -0.29 -0.55 8.24 7.75 3h17A1 VAL 36 HA -0.08 0.29 0.77 -0.75 4.13 4.35 3h17A1 VAL 36 HB -0.13 -0.07 0.14 -0.04 2.12 2.02 3h17A1 VAL 36 HG13 -0.04 -0.01 -0.09 -0.04 0.97 0.79 3h17A1 VAL 36 HG23 -0.11 0.06 -0.07 -0.04 0.95 0.79 3h17A1 ALA 37 H -0.11 0.38 -0.45 -0.55 8.40 7.68 3h17A1 ALA 37 HA -0.33 -0.02 0.50 -0.75 4.34 3.73 3h17A1 ALA 37 HB3 -0.10 0.03 0.07 -0.04 1.41 1.38 3h17A1 PHE 38 H -0.40 0.07 0.19 -0.55 8.34 7.65 3h17A1 PHE 38 HA -0.04 0.09 0.64 -0.75 4.62 4.56 3h17A1 PHE 38 HB2 -0.08 -0.12 0.12 -0.04 3.15 3.04 3h17A1 PHE 38 HB3 -0.06 0.07 -0.08 -0.04 3.06 2.95 3h17A1 PHE 38 HD2 -0.12 -0.01 0.07 -0.04 7.28 7.19 3h17A1 PHE 38 HE2 -0.14 0.03 0.03 -0.04 7.38 7.26 3h17A1 PHE 38 HZ 0.10 -0.04 0.01 -0.04 7.32 7.35 3h17A1 LYS 39 H 0.15 0.15 0.16 -0.55 8.42 8.32 3h17A1 LYS 39 HA 0.05 0.02 0.67 -0.75 4.32 4.31 3h17A1 LYS 39 HB2 0.06 0.02 0.16 -0.04 1.87 2.07 3h17A1 LYS 39 HB3 0.04 -0.02 0.07 -0.04 1.79 1.84 3h17A1 LYS 39 HG2 0.03 0.12 -0.02 -0.04 1.46 1.54 3h17A1 LYS 39 HG3 0.03 -0.02 0.07 -0.04 1.46 1.49 3h17A1 LYS 39 HD2 0.02 -0.00 0.02 -0.04 1.69 1.69 3h17A1 LYS 39 HD3 0.02 -0.03 0.01 -0.04 1.68 1.65 3h17A1 LYS 39 HE2 0.02 0.05 -0.02 -0.04 2.99 3.00 3h17A1 LYS 39 HE3 0.01 -0.02 0.00 -0.04 2.99 2.95 3h17A1 ALA 40 H 0.04 0.10 0.13 -0.55 8.40 8.13 3h17A1 ALA 40 HA 0.05 -0.06 0.51 -0.75 4.34 4.08 3h17A1 ALA 40 HB3 0.02 -0.01 -0.07 -0.04 1.41 1.31 3h17A1 ALA 41 H 0.03 0.05 0.14 -0.55 8.40 8.07 3h17A1 ALA 41 HA 0.01 0.09 0.36 -0.75 4.34 4.05 3h17A1 ALA 41 HB3 0.02 0.00 0.11 -0.04 1.41 1.50 3h17A1 ASP 42 H 0.01 0.11 0.18 -0.55 8.40 8.16 3h17A1 ASP 42 HA 0.01 0.21 0.47 -0.75 4.63 4.57 3h17A1 ASP 42 HB2 0.01 0.01 0.14 -0.04 2.71 2.83 3h17A1 ASP 42 HB3 0.01 -0.02 0.07 -0.04 2.70 2.71 3h17A1 ASP 43 H 0.01 -0.02 -0.36 -0.55 8.40 7.48 3h17A1 ASP 43 HA 0.01 0.18 0.47 -0.75 4.63 4.54 3h17A1 ASP 43 HB2 0.01 0.03 0.13 -0.04 2.71 2.84 3h17A1 ASP 43 HB3 0.01 -0.03 0.02 -0.04 2.70 2.65 3h17A1 ILE 44 H 0.01 0.29 -0.56 -0.55 8.25 7.44 3h17A1 ILE 44 HA 0.02 0.16 0.71 -0.75 4.18 4.31 3h17A1 ILE 44 HB 0.01 0.30 0.04 -0.04 1.89 2.20 3h17A1 ILE 44 HG12 0.01 0.05 -0.07 -0.04 1.49 1.44 3h17A1 ILE 44 HG13 0.00 -0.09 -0.13 -0.04 1.21 0.96 3h17A1 ILE 44 HG23 0.02 -0.03 -0.25 -0.04 0.93 0.63 3h17A1 ILE 44 HD13 -0.01 -0.06 0.00 -0.04 0.88 0.77 3h17A1 GLN 45 H 0.03 0.89 0.39 -0.55 8.47 9.23 3h17A1 GLN 45 HA 0.03 0.29 1.37 -0.75 4.36 5.30 3h17A1 GLN 45 HB2 0.03 0.05 0.03 -0.04 2.15 2.22 3h17A1 GLN 45 HB3 0.02 0.01 0.04 -0.04 2.02 2.05 3h17A1 GLN 45 HG2 0.01 0.04 -0.07 -0.04 2.40 2.33 3h17A1 GLN 45 HG3 0.02 0.03 0.09 -0.04 2.39 2.50 3h17A1 GLN 45 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.84 3h17A1 GLN 45 HE22 -0.01 0.00 -0.07 -0.04 7.69 7.58 3h17A1 VAL 46 H 0.04 0.18 0.23 -0.55 8.24 8.15 3h17A1 VAL 46 HA 0.10 0.32 0.90 -0.75 4.13 4.70 3h17A1 VAL 46 HB 0.04 0.02 0.05 -0.04 2.12 2.19 3h17A1 VAL 46 HG13 0.04 -0.03 -0.09 -0.04 0.97 0.85 3h17A1 VAL 46 HG23 0.05 -0.01 -0.19 -0.04 0.95 0.76 3h17A1 GLU 47 H 0.15 0.26 0.20 -0.55 8.60 8.66 3h17A1 GLU 47 HA 0.09 0.02 0.45 -0.75 4.29 4.10 3h17A1 GLU 47 HB2 0.11 0.14 0.04 -0.04 2.09 2.34 3h17A1 GLU 47 HB3 0.24 -0.04 0.08 -0.04 1.99 2.24 3h17A1 GLU 47 HG2 0.14 0.08 -0.02 -0.04 2.34 2.50 3h17A1 GLU 47 HG3 0.09 -0.02 0.06 -0.04 2.34 2.44 3h17A1 GLN 48 H 0.07 0.11 0.14 -0.55 8.47 8.24 3h17A1 GLN 48 HA 0.02 0.16 0.71 -0.75 4.36 4.50 3h17A1 GLN 48 HB2 0.03 -0.03 0.15 -0.04 2.15 2.26 3h17A1 GLN 48 HB3 0.00 0.06 0.16 -0.04 2.02 2.21 3h17A1 GLN 48 HG2 0.00 0.02 0.06 -0.04 2.40 2.44 3h17A1 GLN 48 HG3 0.03 -0.10 0.04 -0.04 2.39 2.32 3h17A1 GLN 48 HE21 0.00 0.00 0.01 -0.04 6.97 6.94 3h17A1 GLN 48 HE22 -0.00 -0.02 0.01 -0.04 7.69 7.63 3h17A1 VAL 49 H -0.05 0.60 0.29 -0.55 8.24 8.52 3h17A1 VAL 49 HA 0.05 0.13 0.63 -0.75 4.13 4.18 3h17A1 VAL 49 HB -0.20 0.07 -0.33 -0.04 2.12 1.63 3h17A1 VAL 49 HG13 0.27 0.02 -0.02 -0.04 0.97 1.20 3h17A1 VAL 49 HG23 -0.27 -0.00 -0.31 -0.04 0.95 0.32 3h17A1 THR 50 H -0.02 0.16 0.10 -0.55 8.28 7.97 3h17A1 THR 50 HA -0.15 0.33 0.87 -0.75 4.39 4.69 3h17A1 THR 50 HB -0.07 0.04 -0.18 -0.04 4.32 4.06 3h17A1 THR 50 HG23 -0.02 -0.00 -0.10 -0.04 1.22 1.05 3h17A1 VAL 51 H -0.26 0.81 0.07 -0.55 8.24 8.32 3h17A1 VAL 51 HA -0.61 0.10 0.62 -0.75 4.13 3.49 3h17A1 VAL 51 HB -0.53 0.00 -0.05 -0.04 2.12 1.50 3h17A1 VAL 51 HG13 -1.40 0.02 -0.11 -0.04 0.97 -0.56 3h17A1 VAL 51 HG23 -1.09 0.02 -0.42 -0.04 0.95 -0.58 3h17A1 ALA 52 H -0.14 0.21 0.04 -0.55 8.40 7.96 3h17A1 ALA 52 HA -0.01 0.06 0.30 -0.75 4.34 3.93 3h17A1 ALA 52 HB3 -0.06 0.07 -0.02 -0.04 1.41 1.36 3h17A1 GLY 53 H -0.06 0.05 -0.26 -0.55 8.43 7.61 3h17A1 GLY 53 HA2 -0.04 -0.03 0.19 -0.51 4.01 3.62 3h17A1 GLY 53 HA3 -0.04 0.06 0.18 -0.51 4.01 3.69 3h17A1 CYS 54 H -0.12 0.69 -0.74 -0.55 8.50 7.78 3h17A1 CYS 54 HA -0.08 0.10 0.94 -0.75 4.58 4.79 3h17A1 CYS 54 HB2 -0.14 -0.00 -0.01 -0.04 2.97 2.78 3h17A1 CYS 54 HB3 -0.09 0.21 -0.04 -0.04 2.97 3.01 3h17A1 ALA 55 H -0.07 0.13 0.20 -0.55 8.40 8.10 3h17A1 ALA 55 HA -0.09 0.14 0.77 -0.75 4.34 4.40 3h17A1 ALA 55 HB3 -0.06 -0.01 0.13 -0.04 1.41 1.43 3h17A1 ALA 56 H -0.11 0.41 0.42 -0.55 8.40 8.58 3h17A1 ALA 56 HA -0.13 0.13 0.70 -0.75 4.34 4.29 3h17A1 ALA 56 HB3 -0.32 0.01 -0.21 -0.04 1.41 0.85 3h17A1 GLU 57 H -0.13 0.48 0.30 -0.55 8.60 8.70 3h17A1 GLU 57 HA -0.00 0.21 0.65 -0.75 4.29 4.40 3h17A1 GLU 57 HB2 -0.00 -0.05 0.05 -0.04 2.09 2.05 3h17A1 GLU 57 HB3 0.05 0.06 -0.07 -0.04 1.99 1.99 3h17A1 GLU 57 HG2 0.02 0.01 -0.04 -0.04 2.34 2.28 3h17A1 GLU 57 HG3 -0.02 -0.03 -0.23 -0.04 2.34 2.02 3h17A1 TRP 58 H 0.25 0.59 0.28 -0.55 7.97 8.54 3h17A1 TRP 58 HA 0.03 0.27 0.83 -0.75 4.62 4.99 3h17A1 TRP 58 HB2 0.05 0.03 0.21 -0.04 3.23 3.48 3h17A1 TRP 58 HB3 0.06 0.01 -0.14 -0.04 3.23 3.11 3h17A1 TRP 58 HD1 0.13 0.01 -0.08 -0.04 7.22 7.23 3h17A1 TRP 58 HE1 0.40 0.02 -0.08 -0.04 10.20 10.50 3h17A1 TRP 58 HE3 0.04 0.03 -0.29 -0.04 7.59 7.33 3h17A1 TRP 58 HZ2 0.45 0.04 -0.08 -0.04 7.44 7.81 3h17A1 TRP 58 HZ3 -0.08 0.01 -0.34 -0.04 7.13 6.67 3h17A1 TRP 58 HH2 -0.62 0.05 -0.11 -0.04 7.19 6.47 3h17A1 VAL 59 H 0.34 0.81 0.24 -0.55 8.24 9.08 3h17A1 VAL 59 HA 0.12 0.17 0.69 -0.75 4.13 4.36 3h17A1 VAL 59 HB 0.09 -0.01 0.11 -0.04 2.12 2.27 3h17A1 VAL 59 HG13 0.02 -0.02 -0.27 -0.04 0.97 0.67 3h17A1 VAL 59 HG23 0.04 -0.01 -0.18 -0.04 0.95 0.76 3h17A1 ARG 60 H 0.09 0.86 0.33 -0.55 8.46 9.18 3h17A1 ARG 60 HA 0.07 0.09 0.85 -0.75 4.34 4.59 3h17A1 ARG 60 HB2 0.04 0.06 0.09 -0.04 1.90 2.05 3h17A1 ARG 60 HB3 0.01 0.07 -0.05 -0.04 1.80 1.79 3h17A1 ARG 60 HG2 -0.02 0.02 -0.06 -0.04 1.67 1.57 3h17A1 ARG 60 HG3 0.01 -0.08 -0.24 -0.04 1.67 1.33 3h17A1 ARG 60 HD2 -0.04 -0.02 -0.09 -0.04 3.22 3.03 3h17A1 ARG 60 HD3 -0.08 0.04 -0.08 -0.04 3.22 3.06 3h17A1 ALA 61 H 0.03 0.16 0.06 -0.55 8.40 8.10 3h17A1 ALA 61 HA 0.01 0.12 0.77 -0.75 4.34 4.49 3h17A1 ALA 61 HB3 0.01 0.03 0.04 -0.04 1.41 1.44 3h17A1 PRO 62 HA 0.00 0.05 0.69 -0.51 4.44 4.66 3h17A1 PRO 62 HB2 0.00 0.03 -0.06 -0.04 2.28 2.22 3h17A1 PRO 62 HB3 0.00 0.04 0.11 -0.04 2.02 2.13 3h17A1 PRO 62 HG2 0.01 0.04 0.08 -0.04 2.03 2.11 3h17A1 PRO 62 HG3 0.01 0.00 0.05 -0.04 2.03 2.05 3h17A1 PRO 62 HD2 0.01 -0.02 0.14 -0.04 3.68 3.77 3h17A1 PRO 62 HD3 0.01 0.36 0.09 -0.04 3.65 4.07 3h17A1 GLY 63 H -0.00 0.13 0.08 -0.55 8.43 8.09 3h17A1 GLY 63 HA2 0.00 -0.01 0.31 -0.51 4.01 3.80 3h17A1 GLY 63 HA3 0.01 0.27 0.88 -0.51 4.01 4.67 3h17A1 CYS 64 H -0.01 0.10 -0.14 -0.55 8.50 7.91 3h17A1 CYS 64 HA 0.00 0.00 -0.42 -0.75 4.58 3.41 3h17A1 CYS 64 HB2 -0.02 -0.02 0.03 -0.04 2.97 2.92 3h17A1 CYS 64 HB3 -0.03 0.07 -0.19 -0.04 2.97 2.77 3h17A1 GLN 65 H -0.04 0.76 0.23 -0.55 8.47 8.88 3h17A1 GLN 65 HA -0.07 0.06 0.70 -0.75 4.36 4.29 3h17A1 GLN 65 HB2 -0.06 0.14 0.23 -0.04 2.15 2.42 3h17A1 GLN 65 HB3 -0.16 -0.02 0.10 -0.04 2.02 1.90 3h17A1 GLN 65 HG2 -0.09 -0.11 0.16 -0.04 2.40 2.33 3h17A1 GLN 65 HG3 -0.07 0.03 0.07 -0.04 2.39 2.38 3h17A1 GLN 65 HE21 -0.17 0.00 0.02 -0.04 6.97 6.78 3h17A1 GLN 65 HE22 -0.09 0.04 0.03 -0.04 7.69 7.62 3h17A1 ALA 66 H -0.11 0.07 0.18 -0.55 8.40 8.00 3h17A1 ALA 66 HA -0.12 0.08 0.37 -0.75 4.34 3.91 3h17A1 ALA 66 HB3 -0.13 -0.01 0.14 -0.04 1.41 1.37 3h17A1 GLY 67 H -0.31 0.05 0.05 -0.55 8.43 7.67 3h17A1 GLY 67 HA2 -0.21 0.12 0.46 -0.51 4.01 3.86 3h17A1 GLY 67 HA3 -0.54 -0.05 0.37 -0.51 4.01 3.28 3h17A1 LYS 68 H -0.18 0.24 -0.39 -0.55 8.42 7.54 3h17A1 LYS 68 HA -0.26 0.37 0.18 -0.75 4.32 3.85 3h17A1 LYS 68 HB2 -0.43 -0.00 0.07 -0.04 1.87 1.46 3h17A1 LYS 68 HB3 -1.38 0.04 0.06 -0.04 1.79 0.47 3h17A1 LYS 68 HG2 -0.58 -0.27 -0.10 -0.04 1.46 0.47 3h17A1 LYS 68 HG3 -0.56 0.02 -0.02 -0.04 1.46 0.87 3h17A1 LYS 68 HD2 -1.92 0.06 -0.02 -0.04 1.69 -0.24 3h17A1 LYS 68 HD3 -1.07 0.06 -0.00 -0.04 1.68 0.63 3h17A1 LYS 68 HE2 -0.30 0.12 -0.02 -0.04 2.99 2.74 3h17A1 LYS 68 HE3 -0.61 -0.09 -0.02 -0.04 2.99 2.23 3h17A1 ALA 69 H 0.06 0.43 0.32 -0.55 8.40 8.66 3h17A1 ALA 69 HA 0.17 0.16 0.41 -0.75 4.34 4.32 3h17A1 ALA 69 HB3 -0.14 -0.01 -0.06 -0.04 1.41 1.15 3h17A1 ILE 70 H 0.24 0.37 0.26 -0.55 8.25 8.58 3h17A1 ILE 70 HA 0.23 0.39 0.87 -0.75 4.18 4.91 3h17A1 ILE 70 HB 0.20 -0.11 0.08 -0.04 1.89 2.02 3h17A1 ILE 70 HG12 0.34 0.06 -0.36 -0.04 1.49 1.49 3h17A1 ILE 70 HG13 0.34 0.06 -0.33 -0.04 1.21 1.24 3h17A1 ILE 70 HG23 0.19 -0.03 -0.39 -0.04 0.93 0.66 3h17A1 ILE 70 HD13 0.18 -0.01 -0.28 -0.04 0.88 0.72 3h17A1 LEU 71 H 0.14 0.59 0.36 -0.55 8.37 8.90 3h17A1 LEU 71 HA 0.02 0.16 1.03 -0.75 4.35 4.80 3h17A1 LEU 71 HB2 0.10 0.05 0.13 -0.04 1.64 1.88 3h17A1 LEU 71 HB3 0.08 0.02 0.29 -0.04 1.64 1.98 3h17A1 LEU 71 HG -0.04 -0.05 -0.18 -0.04 1.64 1.33 3h17A1 LEU 71 HD13 -0.04 0.02 -0.04 -0.04 0.93 0.83 3h17A1 LEU 71 HD23 0.06 0.00 -0.01 -0.04 0.89 0.90 3h17A1 TYR 72 H 0.13 0.64 0.20 -0.55 8.29 8.71 3h17A1 TYR 72 HA -0.02 0.23 1.04 -0.75 4.56 5.06 3h17A1 TYR 72 HB2 0.01 0.01 -0.06 -0.04 3.06 2.98 3h17A1 TYR 72 HB3 -0.00 -0.04 0.05 -0.04 2.98 2.95 3h17A1 TYR 72 HD2 0.01 -0.01 -0.32 -0.04 7.15 6.79 3h17A1 TYR 72 HE2 0.02 -0.06 -0.22 -0.04 6.85 6.55 3h17A1 LEU 73 H -0.86 0.72 0.37 -0.55 8.37 8.06 3h17A1 LEU 73 HA -0.11 0.18 1.02 -0.75 4.35 4.68 3h17A1 LEU 73 HB2 -0.37 -0.03 0.12 -0.04 1.64 1.32 3h17A1 LEU 73 HB3 -0.34 0.00 -0.04 -0.04 1.64 1.22 3h17A1 LEU 73 HG -0.22 -0.08 -0.56 -0.04 1.64 0.74 3h17A1 LEU 73 HD13 -0.22 0.01 -0.16 -0.04 0.93 0.52 3h17A1 LEU 73 HD23 -0.18 0.01 -0.09 -0.04 0.89 0.59 3h17A1 HIS 74 H -0.16 0.26 0.13 -0.55 8.41 8.09 3h17A1 HIS 74 HA -0.11 -0.07 0.23 -0.75 4.63 3.93 3h17A1 HIS 74 HB2 -1.56 0.04 0.04 -0.04 3.26 1.74 3h17A1 HIS 74 HB3 -0.35 -0.01 0.00 -0.04 3.20 2.80 3h17A1 HIS 74 HD2 -0.15 0.16 -0.04 -0.04 6.97 6.89 3h17A1 HIS 74 HE1 -0.44 0.22 -0.29 -0.04 7.75 7.20 3h17A1 GLY 75 H 0.04 0.02 0.25 -0.55 8.43 8.20 3h17A1 GLY 75 HA2 -0.05 -0.09 0.87 -0.51 4.01 4.23 3h17A1 GLY 75 HA3 0.10 -0.03 0.52 -0.51 4.01 4.09 3h17A1 GLY 76 H 0.09 -0.22 0.32 -0.55 8.43 8.06 3h17A1 GLY 76 HA2 0.10 0.08 0.25 -0.51 4.01 3.92 3h17A1 GLY 76 HA3 0.11 0.39 0.52 -0.51 4.01 4.51 3h17A1 GLY 77 H 0.08 -0.10 0.26 -0.55 8.43 8.13 3h17A1 GLY 77 HA2 0.29 0.03 0.36 -0.51 4.01 4.18 3h17A1 GLY 77 HA3 0.14 0.17 -0.16 -0.51 4.01 3.65 3h17A1 TYR 78 H -0.03 -0.06 -0.56 -0.55 8.29 7.10 3h17A1 TYR 78 HA 0.09 0.07 0.22 -0.75 4.56 4.18 3h17A1 TYR 78 HB2 -0.19 0.29 0.40 -0.04 3.06 3.52 3h17A1 TYR 78 HB3 -0.33 -0.01 0.27 -0.04 2.98 2.86 3h17A1 TYR 78 HD2 -0.34 0.06 -0.08 -0.04 7.15 6.75 3h17A1 TYR 78 HE2 -0.52 0.02 -0.01 -0.04 6.85 6.29 3h17A1 VAL 79 H 0.16 0.27 -0.11 -0.55 8.24 8.01 3h17A1 VAL 79 HA 0.16 0.48 0.91 -0.75 4.13 4.93 3h17A1 VAL 79 HB 0.11 0.01 0.10 -0.04 2.12 2.29 3h17A1 VAL 79 HG13 0.19 -0.00 -0.28 -0.04 0.97 0.84 3h17A1 VAL 79 HG23 0.11 -0.04 -0.12 -0.04 0.95 0.86 3h17A1 MET 80 H 0.10 0.10 0.12 -0.55 8.47 8.24 3h17A1 MET 80 HA 0.02 0.17 0.55 -0.75 4.52 4.52 3h17A1 MET 80 HB2 0.02 -0.10 0.17 -0.04 2.15 2.19 3h17A1 MET 80 HB3 0.04 0.10 -0.28 -0.04 2.03 1.85 3h17A1 MET 80 HG2 0.06 0.15 0.04 -0.04 2.63 2.84 3h17A1 MET 80 HG3 0.05 -0.06 -0.08 -0.04 2.56 2.43 3h17A1 MET 80 HE3 0.02 -0.02 -0.07 -0.04 2.10 1.99 3h17A1 GLY 81 H -0.04 0.06 0.13 -0.55 8.43 8.04 3h17A1 GLY 81 HA2 -0.07 -0.03 0.35 -0.51 4.01 3.75 3h17A1 GLY 81 HA3 -0.09 0.29 0.59 -0.51 4.01 4.29 3h17A1 SER 82 H -0.53 0.32 0.17 -0.55 8.46 7.87 3h17A1 SER 82 HA -0.49 0.22 0.62 -0.75 4.49 4.09 3h17A1 SER 82 HB2 -0.16 0.04 0.03 -0.04 3.95 3.82 3h17A1 SER 82 HB3 -0.17 0.16 -0.61 -0.04 3.93 3.26 3h17A1 ILE 83 H -0.15 0.24 0.04 -0.55 8.25 7.83 3h17A1 ILE 83 HA -0.04 0.11 0.38 -0.75 4.18 3.87 3h17A1 ILE 83 HB -0.06 -0.04 0.07 -0.04 1.89 1.82 3h17A1 ILE 83 HG12 -0.04 0.20 -0.05 -0.04 1.49 1.56 3h17A1 ILE 83 HG13 -0.06 -0.05 -0.10 -0.04 1.21 0.96 3h17A1 ILE 83 HG23 -0.02 0.01 -0.18 -0.04 0.93 0.70 3h17A1 ILE 83 HD13 -0.06 0.02 -0.17 -0.04 0.88 0.63 3h17A1 ASN 84 H -0.06 0.13 -0.17 -0.55 8.53 7.87 3h17A1 ASN 84 HA -0.02 0.06 0.24 -0.75 4.76 4.29 3h17A1 ASN 84 HB2 -0.03 0.02 0.06 -0.04 2.88 2.88 3h17A1 ASN 84 HB3 -0.05 -0.03 0.03 -0.04 2.79 2.70 3h17A1 ASN 84 HD21 -0.03 0.19 -0.04 -0.04 7.03 7.11 3h17A1 ASN 84 HD22 -0.04 -0.08 -0.05 -0.04 7.74 7.53 3h17A1 THR 85 H -0.05 0.10 -0.31 -0.55 8.28 7.47 3h17A1 THR 85 HA -0.06 0.15 0.29 -0.75 4.39 4.01 3h17A1 THR 85 HB -0.02 0.02 0.07 -0.04 4.32 4.34 3h17A1 THR 85 HG23 -0.05 0.06 -0.15 -0.04 1.22 1.04 3h17A1 HIS 86 H 0.08 0.48 -0.32 -0.55 8.41 8.10 3h17A1 HIS 86 HA -0.04 0.23 1.17 -0.75 4.63 5.23 3h17A1 HIS 86 HB2 0.01 0.15 0.03 -0.04 3.26 3.41 3h17A1 HIS 86 HB3 0.02 -0.07 0.07 -0.04 3.20 3.17 3h17A1 HIS 86 HD2 0.21 -0.03 0.02 -0.04 6.97 7.12 3h17A1 HIS 86 HE1 0.01 0.02 -0.11 -0.04 7.75 7.64 3h17A1 ARG 87 H 0.02 0.40 -0.07 -0.55 8.46 8.26 3h17A1 ARG 87 HA -0.01 0.02 0.39 -0.75 4.34 3.98 3h17A1 ARG 87 HB2 0.00 0.07 0.03 -0.04 1.90 1.97 3h17A1 ARG 87 HB3 0.01 0.06 0.05 -0.04 1.80 1.88 3h17A1 ARG 87 HG2 0.01 -0.06 -0.13 -0.04 1.67 1.45 3h17A1 ARG 87 HG3 0.01 -0.02 -0.04 -0.04 1.67 1.58 3h17A1 ARG 87 HD2 0.02 0.01 -0.06 -0.04 3.22 3.15 3h17A1 ARG 87 HD3 0.02 0.04 -0.11 -0.04 3.22 3.12 3h17A1 SER 88 H 0.03 0.31 -0.20 -0.55 8.46 8.05 3h17A1 SER 88 HA 0.03 -0.01 0.44 -0.75 4.49 4.20 3h17A1 SER 88 HB2 0.11 0.23 -0.29 -0.04 3.95 3.96 3h17A1 SER 88 HB3 0.15 -0.01 0.02 -0.04 3.93 4.06 3h17A1 MET 89 H -0.02 0.19 -0.17 -0.55 8.47 7.93 3h17A1 MET 89 HA -0.16 0.07 0.30 -0.75 4.52 3.98 3h17A1 MET 89 HB2 -0.04 0.04 0.06 -0.04 2.15 2.17 3h17A1 MET 89 HB3 -0.13 0.07 0.05 -0.04 2.03 1.98 3h17A1 MET 89 HG2 -0.15 -0.02 -0.08 -0.04 2.63 2.33 3h17A1 MET 89 HG3 -0.08 0.10 -0.10 -0.04 2.56 2.44 3h17A1 MET 89 HE3 -0.03 0.00 -0.05 -0.04 2.10 1.98 3h17A1 VAL 90 H -0.12 0.32 -0.62 -0.55 8.24 7.27 3h17A1 VAL 90 HA -0.33 0.05 0.17 -0.75 4.13 3.26 3h17A1 VAL 90 HB -0.16 0.08 0.03 -0.04 2.12 2.03 3h17A1 VAL 90 HG13 -0.18 0.00 -0.17 -0.04 0.97 0.58 3h17A1 VAL 90 HG23 -0.77 0.02 -0.11 -0.04 0.95 0.05 3h17A1 GLY 91 H -0.07 0.62 0.02 -0.55 8.43 8.46 3h17A1 GLY 91 HA2 -0.02 0.02 0.45 -0.51 4.01 3.96 3h17A1 GLY 91 HA3 -0.03 0.04 0.28 -0.51 4.01 3.79 3h17A1 GLU 92 H -0.16 0.39 -0.46 -0.55 8.60 7.83 3h17A1 GLU 92 HA -0.11 0.00 0.06 -0.75 4.29 3.49 3h17A1 GLU 92 HB2 -0.39 0.10 0.10 -0.04 2.09 1.86 3h17A1 GLU 92 HB3 -0.29 -0.04 0.01 -0.04 1.99 1.63 3h17A1 GLU 92 HG2 -0.33 0.22 0.04 -0.04 2.34 2.22 3h17A1 GLU 92 HG3 -1.09 -0.03 -0.04 -0.04 2.34 1.13 3h17A1 ILE 93 H -0.13 0.38 -0.20 -0.55 8.25 7.74 3h17A1 ILE 93 HA -0.04 0.02 0.25 -0.75 4.18 3.65 3h17A1 ILE 93 HB -0.02 -0.04 0.03 -0.04 1.89 1.82 3h17A1 ILE 93 HG12 -0.05 -0.10 -0.10 -0.04 1.49 1.20 3h17A1 ILE 93 HG13 -0.12 0.11 0.06 -0.04 1.21 1.22 3h17A1 ILE 93 HG23 -0.12 0.04 -0.02 -0.04 0.93 0.79 3h17A1 ILE 93 HD13 0.05 0.04 -0.73 -0.04 0.88 0.20 3h17A1 SER 94 H -0.03 0.65 -0.15 -0.55 8.46 8.38 3h17A1 SER 94 HA 0.08 0.06 0.46 -0.75 4.49 4.34 3h17A1 SER 94 HB2 0.06 -0.06 0.16 -0.04 3.95 4.07 3h17A1 SER 94 HB3 0.02 0.10 0.25 -0.04 3.93 4.26 3h17A1 ARG 95 H -0.00 0.60 0.01 -0.55 8.46 8.51 3h17A1 ARG 95 HA 0.02 0.10 0.47 -0.75 4.34 4.18 3h17A1 ARG 95 HB2 -0.01 -0.06 0.04 -0.04 1.90 1.83 3h17A1 ARG 95 HB3 -0.02 0.09 0.01 -0.04 1.80 1.84 3h17A1 ARG 95 HG2 0.01 0.04 -0.07 -0.04 1.67 1.61 3h17A1 ARG 95 HG3 0.00 -0.00 0.03 -0.04 1.67 1.67 3h17A1 ARG 95 HD2 -0.01 -0.00 -0.08 -0.04 3.22 3.09 3h17A1 ARG 95 HD3 0.00 -0.02 -0.04 -0.04 3.22 3.11 3h17A1 ALA 96 H 0.01 0.47 -0.36 -0.55 8.40 7.98 3h17A1 ALA 96 HA 0.03 0.05 0.48 -0.75 4.34 4.15 3h17A1 ALA 96 HB3 0.02 -0.03 0.06 -0.04 1.41 1.42 3h17A1 SER 97 H 0.07 0.35 -0.25 -0.55 8.46 8.08 3h17A1 SER 97 HA 0.13 0.25 0.74 -0.75 4.49 4.85 3h17A1 SER 97 HB2 0.24 -0.03 -0.02 -0.04 3.95 4.10 3h17A1 SER 97 HB3 0.08 -0.13 -0.07 -0.04 3.93 3.77 3h17A1 GLN 98 H 0.09 0.58 -0.02 -0.55 8.47 8.57 3h17A1 GLN 98 HA 0.05 0.01 0.07 -0.75 4.36 3.74 3h17A1 GLN 98 HB2 0.11 0.13 -0.51 -0.04 2.15 1.85 3h17A1 GLN 98 HB3 0.04 -0.12 0.26 -0.04 2.02 2.16 3h17A1 GLN 98 HG2 0.02 -0.05 0.04 -0.04 2.40 2.38 3h17A1 GLN 98 HG3 0.03 -0.01 0.01 -0.04 2.39 2.37 3h17A1 GLN 98 HE21 0.05 -0.03 -0.05 -0.04 6.97 6.90 3h17A1 GLN 98 HE22 0.03 -0.05 -0.02 -0.04 7.69 7.61 3h17A1 ALA 99 H 0.15 0.20 -0.22 -0.55 8.40 7.98 3h17A1 ALA 99 HA 0.03 0.14 0.41 -0.75 4.34 4.17 3h17A1 ALA 99 HB3 0.20 0.04 -0.20 -0.04 1.41 1.40 3h17A1 ALA 100 H 0.05 0.29 0.02 -0.55 8.40 8.21 3h17A1 ALA 100 HA 0.12 0.13 0.68 -0.75 4.34 4.52 3h17A1 ALA 100 HB3 0.01 0.02 -0.02 -0.04 1.41 1.38 3h17A1 ALA 101 H 0.23 0.65 0.32 -0.55 8.40 9.06 3h17A1 ALA 101 HA 0.24 0.15 1.09 -0.75 4.34 5.06 3h17A1 ALA 101 HB3 0.11 -0.01 0.00 -0.04 1.41 1.47 3h17A1 LEU 102 H 0.02 0.85 0.36 -0.55 8.37 9.06 3h17A1 LEU 102 HA -0.54 0.19 1.02 -0.75 4.35 4.27 3h17A1 LEU 102 HB2 -0.61 0.04 0.07 -0.04 1.64 1.10 3h17A1 LEU 102 HB3 -0.29 -0.06 0.21 -0.04 1.64 1.46 3h17A1 LEU 102 HG -1.20 0.05 -0.05 -0.04 1.64 0.40 3h17A1 LEU 102 HD13 -0.52 -0.01 -0.13 -0.04 0.93 0.22 3h17A1 LEU 102 HD23 -1.36 -0.00 -0.15 -0.04 0.89 -0.66 3h17A1 LEU 103 H -0.15 0.86 0.24 -0.55 8.37 8.78 3h17A1 LEU 103 HA 0.10 0.18 0.80 -0.75 4.35 4.67 3h17A1 LEU 103 HB2 0.02 -0.00 -0.09 -0.04 1.64 1.53 3h17A1 LEU 103 HB3 -0.01 -0.03 0.17 -0.04 1.64 1.73 3h17A1 LEU 103 HG 0.04 -0.06 -0.15 -0.04 1.64 1.42 3h17A1 LEU 103 HD13 0.21 0.02 -0.13 -0.04 0.93 0.99 3h17A1 LEU 103 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.73 3h17A1 LEU 104 H 0.04 0.48 0.22 -0.55 8.37 8.56 3h17A1 LEU 104 HA -0.10 0.08 0.41 -0.75 4.35 3.99 3h17A1 LEU 104 HB2 -0.03 0.12 0.07 -0.04 1.64 1.76 3h17A1 LEU 104 HB3 0.11 -0.12 -0.06 -0.04 1.64 1.53 3h17A1 LEU 104 HG -0.13 0.02 -0.13 -0.04 1.64 1.36 3h17A1 LEU 104 HD13 0.03 -0.02 -0.22 -0.04 0.93 0.69 3h17A1 LEU 104 HD23 -0.11 0.02 -0.21 -0.04 0.89 0.55 3h17A1 ASP 105 H -0.07 0.65 0.23 -0.55 8.40 8.67 3h17A1 ASP 105 HA -0.06 0.02 0.66 -0.75 4.63 4.50 3h17A1 ASP 105 HB2 -0.08 -0.14 0.00 -0.04 2.71 2.45 3h17A1 ASP 105 HB3 -0.08 0.20 0.25 -0.04 2.70 3.04 3h17A1 TYR 106 H -0.15 0.19 -0.20 -0.55 8.29 7.58 3h17A1 TYR 106 HA -0.06 0.12 0.49 -0.75 4.56 4.36 3h17A1 TYR 106 HB2 -0.04 -0.06 0.06 -0.04 3.06 2.98 3h17A1 TYR 106 HB3 -0.08 -0.01 -0.04 -0.04 2.98 2.81 3h17A1 TYR 106 HD2 -0.10 0.23 -0.22 -0.04 7.15 7.02 3h17A1 TYR 106 HE2 -0.46 -0.08 -0.06 -0.04 6.85 6.21 3h17A1 ARG 107 H 0.16 0.05 0.06 -0.55 8.46 8.18 3h17A1 ARG 107 HA -0.01 0.06 0.07 -0.75 4.34 3.70 3h17A1 ARG 107 HB2 0.04 -0.10 -0.01 -0.04 1.90 1.79 3h17A1 ARG 107 HB3 -0.01 0.07 -0.06 -0.04 1.80 1.76 3h17A1 ARG 107 HG2 -0.44 0.02 -0.01 -0.04 1.67 1.21 3h17A1 ARG 107 HG3 -0.14 0.01 0.01 -0.04 1.67 1.50 3h17A1 ARG 107 HD2 -0.57 0.01 -0.04 -0.04 3.22 2.58 3h17A1 ARG 107 HD3 -0.42 0.03 -0.03 -0.04 3.22 2.76 3h17A1 LEU 108 H 0.18 0.08 0.17 -0.55 8.37 8.25 3h17A1 LEU 108 HA 0.27 0.20 0.87 -0.75 4.35 4.94 3h17A1 LEU 108 HB2 0.10 -0.09 -0.02 -0.04 1.64 1.58 3h17A1 LEU 108 HB3 0.13 0.10 -0.07 -0.04 1.64 1.76 3h17A1 LEU 108 HG -0.05 0.07 -0.11 -0.04 1.64 1.51 3h17A1 LEU 108 HD13 -0.02 -0.01 -0.26 -0.04 0.93 0.61 3h17A1 LEU 108 HD23 -0.04 -0.02 -0.33 -0.04 0.89 0.45 3h17A1 ALA 109 H 0.27 0.69 0.38 -0.55 8.40 9.20 3h17A1 ALA 109 HA 0.15 -0.20 0.60 -0.75 4.34 4.13 3h17A1 ALA 109 HB3 0.27 0.08 -0.02 -0.04 1.41 1.70 3h17A1 PRO 110 HA 0.10 0.20 0.29 -0.51 4.44 4.52 3h17A1 PRO 110 HB2 0.03 0.05 0.13 -0.04 2.28 2.46 3h17A1 PRO 110 HB3 0.07 0.04 0.14 -0.04 2.02 2.22 3h17A1 PRO 110 HG2 0.02 0.02 -0.05 -0.04 2.03 1.98 3h17A1 PRO 110 HG3 0.04 -0.02 0.06 -0.04 2.03 2.07 3h17A1 PRO 110 HD2 0.05 0.04 0.13 -0.04 3.68 3.86 3h17A1 PRO 110 HD3 0.07 0.09 0.34 -0.04 3.65 4.11 3h17A1 GLU 111 H 0.01 0.17 -0.05 -0.55 8.60 8.19 3h17A1 GLU 111 HA -0.13 0.10 0.73 -0.75 4.29 4.24 3h17A1 GLU 111 HB2 -0.17 0.08 0.06 -0.04 2.09 2.01 3h17A1 GLU 111 HB3 -0.32 -0.01 0.07 -0.04 1.99 1.69 3h17A1 GLU 111 HG2 -0.03 -0.02 0.02 -0.04 2.34 2.26 3h17A1 GLU 111 HG3 -0.05 -0.01 0.01 -0.04 2.34 2.25 3h17A1 HIS 112 H 0.06 0.28 -0.03 -0.55 8.41 8.18 3h17A1 HIS 112 HA 0.03 0.19 0.74 -0.75 4.63 4.83 3h17A1 HIS 112 HB2 0.09 0.01 -0.14 -0.04 3.26 3.19 3h17A1 HIS 112 HB3 0.06 -0.06 -0.05 -0.04 3.20 3.11 3h17A1 HIS 112 HD2 0.04 -0.03 -0.00 -0.04 6.97 6.93 3h17A1 HIS 112 HE1 0.01 -0.01 -0.03 -0.04 7.75 7.67 3h17A1 PRO 113 HA 0.09 0.03 0.49 -0.51 4.44 4.55 3h17A1 PRO 113 HB2 -0.07 0.18 -0.02 -0.04 2.28 2.32 3h17A1 PRO 113 HB3 -0.03 0.17 0.05 -0.04 2.02 2.17 3h17A1 PRO 113 HG2 -0.03 0.00 0.03 -0.04 2.03 2.00 3h17A1 PRO 113 HG3 -0.00 0.09 -0.02 -0.04 2.03 2.06 3h17A1 PRO 113 HD2 -0.01 0.04 0.07 -0.04 3.68 3.74 3h17A1 PRO 113 HD3 -0.03 0.30 -0.25 -0.04 3.65 3.62 3h17A1 PHE 114 H -0.56 0.38 0.26 -0.55 8.34 7.87 3h17A1 PHE 114 HA -0.45 -0.23 0.57 -0.75 4.62 3.76 3h17A1 PHE 114 HB2 -2.40 -0.06 0.05 -0.04 3.15 0.70 3h17A1 PHE 114 HB3 -0.80 0.22 0.05 -0.04 3.06 2.49 3h17A1 PHE 114 HD2 -0.35 0.03 -0.10 -0.04 7.28 6.82 3h17A1 PHE 114 HE2 -0.29 -0.00 -0.19 -0.04 7.38 6.85 3h17A1 PHE 114 HZ -1.33 -0.07 -0.12 -0.04 7.32 5.77 3h17A1 PRO 115 HA -0.72 -0.03 0.27 -0.51 4.44 3.45 3h17A1 PRO 115 HB2 -0.34 -0.02 0.13 -0.04 2.28 2.01 3h17A1 PRO 115 HB3 -1.24 0.02 0.03 -0.04 2.02 0.79 3h17A1 PRO 115 HG2 -0.28 0.03 -0.10 -0.04 2.03 1.64 3h17A1 PRO 115 HG3 -0.38 0.04 0.03 -0.04 2.03 1.67 3h17A1 PRO 115 HD2 -0.33 0.14 0.11 -0.04 3.68 3.57 3h17A1 PRO 115 HD3 -0.67 0.12 0.28 -0.04 3.65 3.34 3h17A1 ALA 116 H -0.11 0.67 0.16 -0.55 8.40 8.57 3h17A1 ALA 116 HA -0.03 0.06 0.28 -0.75 4.34 3.90 3h17A1 ALA 116 HB3 0.10 0.06 -0.08 -0.04 1.41 1.45 3h17A1 ALA 117 H 0.23 0.26 -0.06 -0.55 8.40 8.28 3h17A1 ALA 117 HA 0.07 -0.04 0.43 -0.75 4.34 4.06 3h17A1 ALA 117 HB3 0.06 0.10 0.05 -0.04 1.41 1.58 3h17A1 VAL 118 H 0.07 0.08 -0.52 -0.55 8.24 7.33 3h17A1 VAL 118 HA -0.07 0.04 0.66 -0.75 4.13 4.02 3h17A1 VAL 118 HB 0.02 0.13 0.05 -0.04 2.12 2.28 3h17A1 VAL 118 HG13 -0.12 -0.01 -0.16 -0.04 0.97 0.65 3h17A1 VAL 118 HG23 0.19 -0.02 -0.07 -0.04 0.95 1.01 3h17A1 GLU 119 H -0.04 0.66 0.05 -0.55 8.60 8.73 3h17A1 GLU 119 HA -0.03 0.01 0.34 -0.75 4.29 3.86 3h17A1 GLU 119 HB2 -0.03 0.10 0.18 -0.04 2.09 2.29 3h17A1 GLU 119 HB3 -0.02 -0.04 0.05 -0.04 1.99 1.94 3h17A1 GLU 119 HG2 -0.03 -0.03 0.01 -0.04 2.34 2.25 3h17A1 GLU 119 HG3 -0.07 0.16 0.06 -0.04 2.34 2.46 3h17A1 ASP 120 H -0.02 0.41 -0.28 -0.55 8.40 7.96 3h17A1 ASP 120 HA -0.02 0.10 0.51 -0.75 4.63 4.47 3h17A1 ASP 120 HB2 0.03 0.01 0.14 -0.04 2.71 2.86 3h17A1 ASP 120 HB3 0.02 -0.02 0.00 -0.04 2.70 2.67 3h17A1 GLY 121 H -0.09 0.48 -0.06 -0.55 8.43 8.22 3h17A1 GLY 121 HA2 -0.07 -0.03 0.36 -0.51 4.01 3.77 3h17A1 GLY 121 HA3 -0.11 0.07 0.33 -0.51 4.01 3.80 3h17A1 VAL 122 H -0.04 0.70 -0.08 -0.55 8.24 8.27 3h17A1 VAL 122 HA 0.04 0.01 0.36 -0.75 4.13 3.79 3h17A1 VAL 122 HB -0.01 0.11 0.03 -0.04 2.12 2.22 3h17A1 VAL 122 HG13 0.04 -0.01 -0.15 -0.04 0.97 0.80 3h17A1 VAL 122 HG23 -0.08 0.03 -0.00 -0.04 0.95 0.85 3h17A1 ALA 123 H 0.01 0.33 -0.55 -0.55 8.40 7.64 3h17A1 ALA 123 HA 0.07 0.04 0.28 -0.75 4.34 3.98 3h17A1 ALA 123 HB3 0.02 0.00 0.13 -0.04 1.41 1.52 3h17A1 ALA 124 H 0.01 0.74 -0.05 -0.55 8.40 8.55 3h17A1 ALA 124 HA -0.02 -0.04 0.39 -0.75 4.34 3.93 3h17A1 ALA 124 HB3 -0.09 -0.01 -0.02 -0.04 1.41 1.25 3h17A1 TYR 125 H 0.18 0.65 -0.06 -0.55 8.29 8.51 3h17A1 TYR 125 HA 0.08 0.00 0.49 -0.75 4.56 4.38 3h17A1 TYR 125 HB2 0.01 -0.02 0.09 -0.04 3.06 3.10 3h17A1 TYR 125 HB3 0.03 0.08 0.16 -0.04 2.98 3.21 3h17A1 TYR 125 HD2 0.04 -0.04 -0.02 -0.04 7.15 7.09 3h17A1 TYR 125 HE2 0.06 0.11 -0.06 -0.04 6.85 6.92 3h17A1 ARG 126 H 0.19 0.61 -0.04 -0.55 8.46 8.67 3h17A1 ARG 126 HA -0.01 0.01 0.36 -0.75 4.34 3.94 3h17A1 ARG 126 HB2 0.11 0.19 0.16 -0.04 1.90 2.31 3h17A1 ARG 126 HB3 0.12 0.05 0.03 -0.04 1.80 1.96 3h17A1 ARG 126 HG2 0.05 -0.06 0.01 -0.04 1.67 1.62 3h17A1 ARG 126 HG3 0.05 0.02 0.07 -0.04 1.67 1.77 3h17A1 ARG 126 HD2 0.05 -0.06 -0.01 -0.04 3.22 3.16 3h17A1 ARG 126 HD3 0.05 0.04 -0.01 -0.04 3.22 3.26 3h17A1 TRP 127 H 0.31 0.38 -0.53 -0.55 7.97 7.59 3h17A1 TRP 127 HA 0.01 0.00 0.54 -0.75 4.62 4.42 3h17A1 TRP 127 HB2 -0.00 0.05 0.13 -0.04 3.23 3.37 3h17A1 TRP 127 HB3 -0.01 0.31 0.15 -0.04 3.23 3.64 3h17A1 TRP 127 HD1 0.02 -0.04 0.03 -0.04 7.22 7.18 3h17A1 TRP 127 HE1 0.04 -0.01 0.02 -0.04 10.20 10.20 3h17A1 TRP 127 HE3 -0.01 0.13 -0.30 -0.04 7.59 7.37 3h17A1 TRP 127 HZ2 0.11 -0.01 -0.03 -0.04 7.44 7.47 3h17A1 TRP 127 HZ3 0.06 -0.00 -0.11 -0.04 7.13 7.04 3h17A1 TRP 127 HH2 0.37 -0.01 -0.09 -0.04 7.19 7.41 3h17A1 LEU 128 H 0.28 0.65 0.01 -0.55 8.37 8.77 3h17A1 LEU 128 HA 0.28 -0.01 0.42 -0.75 4.35 4.28 3h17A1 LEU 128 HB2 0.02 0.21 0.24 -0.04 1.64 2.06 3h17A1 LEU 128 HB3 0.08 -0.04 -0.03 -0.04 1.64 1.61 3h17A1 LEU 128 HG 0.40 0.07 0.03 -0.04 1.64 2.09 3h17A1 LEU 128 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.86 3h17A1 LEU 128 HD23 0.05 -0.02 -0.07 -0.04 0.89 0.81 3h17A1 LEU 129 H -0.10 0.42 -0.16 -0.55 8.37 7.98 3h17A1 LEU 129 HA -0.02 0.17 0.62 -0.75 4.35 4.37 3h17A1 LEU 129 HB2 -0.10 0.07 0.10 -0.04 1.64 1.67 3h17A1 LEU 129 HB3 -0.08 -0.02 0.07 -0.04 1.64 1.57 3h17A1 LEU 129 HG -0.48 0.01 -0.06 -0.04 1.64 1.08 3h17A1 LEU 129 HD13 -0.29 -0.00 -0.05 -0.04 0.93 0.55 3h17A1 LEU 129 HD23 -0.11 0.04 -0.04 -0.04 0.89 0.74 3h17A1 ASP 130 H -0.07 0.60 -0.04 -0.55 8.40 8.34 3h17A1 ASP 130 HA -0.09 0.05 0.54 -0.75 4.63 4.37 3h17A1 ASP 130 HB2 -0.16 -0.02 0.13 -0.04 2.71 2.62 3h17A1 ASP 130 HB3 -0.09 -0.09 0.17 -0.04 2.70 2.65 3h17A1 GLN 131 H -0.26 0.43 -0.59 -0.55 8.47 7.51 3h17A1 GLN 131 HA -0.28 0.01 0.61 -0.75 4.36 3.94 3h17A1 GLN 131 HB2 0.09 0.13 0.04 -0.04 2.15 2.37 3h17A1 GLN 131 HB3 -0.18 -0.10 0.07 -0.04 2.02 1.77 3h17A1 GLN 131 HG2 -1.26 0.51 0.08 -0.04 2.40 1.70 3h17A1 GLN 131 HG3 -1.07 -0.12 -0.02 -0.04 2.39 1.13 3h17A1 GLN 131 HE21 -0.24 -0.07 -0.01 -0.04 6.97 6.61 3h17A1 GLN 131 HE22 -0.30 -0.02 -0.01 -0.04 7.69 7.32 3h17A1 GLY 132 H -0.08 0.60 -0.28 -0.55 8.43 8.12 3h17A1 GLY 132 HA2 -0.07 0.04 0.29 -0.51 4.01 3.76 3h17A1 GLY 132 HA3 -0.14 -0.01 0.47 -0.51 4.01 3.83 3h17A1 PHE 133 H 0.17 0.37 -0.05 -0.55 8.34 8.27 3h17A1 PHE 133 HA 0.03 0.13 0.65 -0.75 4.62 4.67 3h17A1 PHE 133 HB2 0.04 -0.01 -0.12 -0.04 3.15 3.02 3h17A1 PHE 133 HB3 0.09 0.02 -0.16 -0.04 3.06 2.96 3h17A1 PHE 133 HD2 0.04 0.23 -0.05 -0.04 7.28 7.46 3h17A1 PHE 133 HE2 0.10 0.05 -0.15 -0.04 7.38 7.34 3h17A1 PHE 133 HZ -0.28 -0.08 -0.08 -0.04 7.32 6.85 3h17A1 LYS 134 H 0.21 0.21 0.03 -0.55 8.42 8.32 3h17A1 LYS 134 HA 0.00 0.29 0.78 -0.75 4.32 4.64 3h17A1 LYS 134 HB2 -0.23 0.01 0.11 -0.04 1.87 1.71 3h17A1 LYS 134 HB3 -0.20 -0.09 -0.03 -0.04 1.79 1.43 3h17A1 LYS 134 HG2 -0.07 -0.02 -0.01 -0.04 1.46 1.32 3h17A1 LYS 134 HG3 -0.04 0.10 -0.22 -0.04 1.46 1.26 3h17A1 LYS 134 HD2 -0.02 0.08 -0.02 -0.04 1.69 1.70 3h17A1 LYS 134 HD3 -0.11 -0.04 0.00 -0.04 1.68 1.49 3h17A1 LYS 134 HE2 -0.05 -0.02 -0.01 -0.04 2.99 2.87 3h17A1 LYS 134 HE3 -0.04 0.03 -0.01 -0.04 2.99 2.93 3h17A1 PRO 135 HA 0.15 0.04 0.15 -0.51 4.44 4.27 3h17A1 PRO 135 HB2 0.07 -0.01 0.03 -0.04 2.28 2.33 3h17A1 PRO 135 HB3 0.13 0.25 -0.16 -0.04 2.02 2.21 3h17A1 PRO 135 HG2 0.03 0.00 0.06 -0.04 2.03 2.08 3h17A1 PRO 135 HG3 0.04 0.08 0.04 -0.04 2.03 2.15 3h17A1 PRO 135 HD2 -0.02 0.04 0.16 -0.04 3.68 3.83 3h17A1 PRO 135 HD3 0.00 0.30 0.25 -0.04 3.65 4.16 3h17A1 GLN 136 H -0.02 0.01 -0.53 -0.55 8.47 7.39 3h17A1 GLN 136 HA 0.17 0.13 0.24 -0.75 4.36 4.15 3h17A1 GLN 136 HB2 0.08 0.10 0.12 -0.04 2.15 2.41 3h17A1 GLN 136 HB3 0.02 -0.03 0.04 -0.04 2.02 2.02 3h17A1 GLN 136 HG2 -0.31 0.08 -0.27 -0.04 2.40 1.85 3h17A1 GLN 136 HG3 -0.09 0.01 -0.04 -0.04 2.39 2.22 3h17A1 GLN 136 HE21 -0.15 -0.03 -0.03 -0.04 6.97 6.73 3h17A1 GLN 136 HE22 -0.23 0.01 -0.04 -0.04 7.69 7.40 3h17A1 HIS 137 H -0.00 1.17 0.01 -0.55 8.41 9.04 3h17A1 HIS 137 HA -0.34 0.15 0.92 -0.75 4.63 4.61 3h17A1 HIS 137 HB2 0.04 -0.01 0.08 -0.04 3.26 3.33 3h17A1 HIS 137 HB3 -0.17 0.01 0.06 -0.04 3.20 3.06 3h17A1 HIS 137 HD2 -0.20 0.16 -0.05 -0.04 6.97 6.83 3h17A1 HIS 137 HE1 -0.07 -0.03 0.03 -0.04 7.75 7.63 3h17A1 LEU 138 H 0.39 0.66 -0.14 -0.55 8.37 8.74 3h17A1 LEU 138 HA 0.49 0.25 1.26 -0.75 4.35 5.59 3h17A1 LEU 138 HB2 0.34 0.10 0.08 -0.04 1.64 2.13 3h17A1 LEU 138 HB3 0.36 -0.03 0.06 -0.04 1.64 1.98 3h17A1 LEU 138 HG 0.26 -0.02 -0.51 -0.04 1.64 1.33 3h17A1 LEU 138 HD13 0.06 -0.02 -0.29 -0.04 0.93 0.63 3h17A1 LEU 138 HD23 0.10 0.00 -0.09 -0.04 0.89 0.86 3h17A1 SER 139 H 0.48 0.67 0.42 -0.55 8.46 9.48 3h17A1 SER 139 HA 0.08 0.17 0.64 -0.75 4.49 4.62 3h17A1 SER 139 HB2 -0.56 0.10 -0.05 -0.04 3.95 3.39 3h17A1 SER 139 HB3 0.06 -0.01 -0.07 -0.04 3.93 3.86 3h17A1 ILE 140 H -0.00 0.42 0.15 -0.55 8.25 8.27 3h17A1 ILE 140 HA 0.04 0.10 1.02 -0.75 4.18 4.59 3h17A1 ILE 140 HB -0.00 0.03 -0.07 -0.04 1.89 1.80 3h17A1 ILE 140 HG12 -0.11 -0.02 -0.07 -0.04 1.49 1.24 3h17A1 ILE 140 HG13 -0.05 0.02 0.19 -0.04 1.21 1.34 3h17A1 ILE 140 HG23 -0.09 0.03 0.09 -0.04 0.93 0.91 3h17A1 ILE 140 HD13 -0.16 -0.00 -0.01 -0.04 0.88 0.67 3h17A1 SER 141 H -0.05 0.77 0.30 -0.55 8.46 8.93 3h17A1 SER 141 HA -0.11 0.14 0.81 -0.75 4.49 4.57 3h17A1 SER 141 HB2 -0.01 0.03 -0.07 -0.04 3.95 3.86 3h17A1 SER 141 HB3 0.11 -0.04 -0.18 -0.04 3.93 3.78 3h17A1 GLY 142 H -0.17 0.33 0.20 -0.55 8.43 8.24 3h17A1 GLY 142 HA2 -1.00 0.07 0.67 -0.51 4.01 3.24 3h17A1 GLY 142 HA3 -0.42 0.16 -0.03 -0.51 4.01 3.22 3h17A1 ASP 143 H -0.14 0.28 0.20 -0.55 8.40 8.19 3h17A1 ASP 143 HA -0.11 0.33 1.20 -0.75 4.63 5.29 3h17A1 ASP 143 HB2 -0.09 0.02 0.04 -0.04 2.71 2.64 3h17A1 ASP 143 HB3 -0.08 0.04 0.09 -0.04 2.70 2.72 3h17A1 SER 144 H -0.01 0.77 0.03 -0.55 8.46 8.71 3h17A1 SER 144 HA 0.21 0.49 0.46 -0.75 4.49 4.89 3h17A1 SER 144 HB2 0.13 0.03 -0.48 -0.04 3.95 3.59 3h17A1 SER 144 HB3 0.11 -0.31 0.48 -0.04 3.93 4.17 3h17A1 ALA 145 H 0.07 -0.03 0.42 -0.55 8.40 8.31 3h17A1 ALA 145 HA 0.06 0.20 0.56 -0.75 4.34 4.40 3h17A1 ALA 145 HB3 -0.54 0.04 0.18 -0.04 1.41 1.04 3h17A1 GLY 146 H -0.13 0.50 -0.20 -0.55 8.43 8.06 3h17A1 GLY 146 HA2 -0.34 0.08 -0.05 -0.51 4.01 3.19 3h17A1 GLY 146 HA3 -0.25 0.27 -0.17 -0.51 4.01 3.35 3h17A1 GLY 147 H -0.08 -0.06 -1.53 -0.55 8.43 6.21 3h17A1 GLY 147 HA2 -0.14 0.15 0.09 -0.51 4.01 3.61 3h17A1 GLY 147 HA3 -0.06 -0.06 0.03 -0.51 4.01 3.41 3h17A1 GLY 148 H -0.04 0.36 -0.41 -0.55 8.43 7.79 3h17A1 GLY 148 HA2 -0.03 0.06 0.26 -0.51 4.01 3.80 3h17A1 GLY 148 HA3 -0.02 0.22 0.20 -0.51 4.01 3.90 3h17A1 LEU 149 H -0.11 0.52 -0.10 -0.55 8.37 8.13 3h17A1 LEU 149 HA -0.03 0.06 0.31 -0.75 4.35 3.93 3h17A1 LEU 149 HB2 -0.24 0.08 0.06 -0.04 1.64 1.49 3h17A1 LEU 149 HB3 -0.25 0.09 -0.20 -0.04 1.64 1.25 3h17A1 LEU 149 HG -0.09 -0.04 -0.12 -0.04 1.64 1.35 3h17A1 LEU 149 HD13 -0.79 0.00 -0.11 -0.04 0.93 -0.01 3h17A1 LEU 149 HD23 -0.14 0.03 -0.18 -0.04 0.89 0.56 3h17A1 VAL 150 H -0.15 0.43 -0.57 -0.55 8.24 7.40 3h17A1 VAL 150 HA -0.16 0.02 0.23 -0.75 4.13 3.46 3h17A1 VAL 150 HB -0.12 0.21 0.01 -0.04 2.12 2.18 3h17A1 VAL 150 HG13 -0.11 -0.01 -0.26 -0.04 0.97 0.56 3h17A1 VAL 150 HG23 -0.19 0.00 -0.31 -0.04 0.95 0.40 3h17A1 LEU 151 H -0.08 0.41 -0.32 -0.55 8.37 7.83 3h17A1 LEU 151 HA -0.07 0.08 0.27 -0.75 4.35 3.86 3h17A1 LEU 151 HB2 -0.04 0.21 0.14 -0.04 1.64 1.91 3h17A1 LEU 151 HB3 -0.03 -0.04 -0.11 -0.04 1.64 1.41 3h17A1 LEU 151 HG -0.04 -0.09 -0.06 -0.04 1.64 1.42 3h17A1 LEU 151 HD13 -0.04 0.01 -0.05 -0.04 0.93 0.82 3h17A1 LEU 151 HD23 -0.06 0.03 -0.05 -0.04 0.89 0.77 3h17A1 ALA 152 H -0.07 0.31 -0.33 -0.55 8.40 7.77 3h17A1 ALA 152 HA -0.05 0.03 0.18 -0.75 4.34 3.75 3h17A1 ALA 152 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 3h17A1 VAL 153 H -0.13 0.69 -0.18 -0.55 8.24 8.06 3h17A1 VAL 153 HA -0.18 -0.04 0.38 -0.75 4.13 3.54 3h17A1 VAL 153 HB -0.16 0.15 0.08 -0.04 2.12 2.15 3h17A1 VAL 153 HG13 -0.16 -0.00 -0.25 -0.04 0.97 0.52 3h17A1 VAL 153 HG23 -0.13 -0.01 0.04 -0.04 0.95 0.81 3h17A1 LEU 154 H -0.15 0.40 -0.42 -0.55 8.37 7.65 3h17A1 LEU 154 HA -0.19 0.04 0.34 -0.75 4.35 3.78 3h17A1 LEU 154 HB2 -0.10 0.13 0.21 -0.04 1.64 1.83 3h17A1 LEU 154 HB3 -0.09 0.00 -0.02 -0.04 1.64 1.49 3h17A1 LEU 154 HG -0.16 0.19 0.06 -0.04 1.64 1.69 3h17A1 LEU 154 HD13 -0.08 -0.02 -0.08 -0.04 0.93 0.70 3h17A1 LEU 154 HD23 -0.22 -0.01 -0.03 -0.04 0.89 0.59 3h17A1 VAL 155 H -0.09 0.51 0.01 -0.55 8.24 8.11 3h17A1 VAL 155 HA -0.02 0.09 0.36 -0.75 4.13 3.81 3h17A1 VAL 155 HB -0.09 -0.01 0.08 -0.04 2.12 2.06 3h17A1 VAL 155 HG13 0.15 0.01 -0.03 -0.04 0.97 1.06 3h17A1 VAL 155 HG23 0.01 0.10 0.01 -0.04 0.95 1.02 3h17A1 SER 156 H -0.34 0.52 -0.24 -0.55 8.46 7.85 3h17A1 SER 156 HA -0.32 -0.05 0.28 -0.75 4.49 3.65 3h17A1 SER 156 HB2 -0.83 0.06 0.08 -0.04 3.95 3.22 3h17A1 SER 156 HB3 -0.28 0.07 0.10 -0.04 3.93 3.78 3h17A1 ALA 157 H -0.13 0.84 0.02 -0.55 8.40 8.58 3h17A1 ALA 157 HA 0.01 -0.03 0.47 -0.75 4.34 4.04 3h17A1 ALA 157 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 3h17A1 ARG 158 H -0.05 0.61 -0.31 -0.55 8.46 8.16 3h17A1 ARG 158 HA 0.02 0.12 0.48 -0.75 4.34 4.21 3h17A1 ARG 158 HB2 -0.01 0.01 -0.00 -0.04 1.90 1.85 3h17A1 ARG 158 HB3 -0.01 0.08 0.16 -0.04 1.80 1.99 3h17A1 ARG 158 HG2 0.02 -0.07 -0.28 -0.04 1.67 1.30 3h17A1 ARG 158 HG3 0.02 -0.00 -0.03 -0.04 1.67 1.62 3h17A1 ARG 158 HD2 0.02 0.04 -0.01 -0.04 3.22 3.23 3h17A1 ARG 158 HD3 0.01 -0.02 -0.15 -0.04 3.22 3.02 3h17A1 ASP 159 H 0.03 0.73 0.13 -0.55 8.40 8.74 3h17A1 ASP 159 HA 0.05 -0.03 0.47 -0.75 4.63 4.36 3h17A1 ASP 159 HB2 0.11 0.18 0.08 -0.04 2.71 3.04 3h17A1 ASP 159 HB3 0.11 -0.11 0.03 -0.04 2.70 2.69 3h17A1 GLN 160 H 0.03 0.24 -0.64 -0.55 8.47 7.56 3h17A1 GLN 160 HA 0.04 0.21 1.06 -0.75 4.36 4.91 3h17A1 GLN 160 HB2 0.04 0.01 0.04 -0.04 2.15 2.20 3h17A1 GLN 160 HB3 0.04 -0.09 0.13 -0.04 2.02 2.06 3h17A1 GLN 160 HG2 0.05 -0.08 -0.15 -0.04 2.40 2.19 3h17A1 GLN 160 HG3 0.03 0.50 0.06 -0.04 2.39 2.94 3h17A1 GLN 160 HE21 0.02 -0.08 -0.10 -0.04 6.97 6.77 3h17A1 GLN 160 HE22 0.01 0.05 -0.14 -0.04 7.69 7.57 3h17A1 GLY 161 H 0.04 0.59 -0.14 -0.55 8.43 8.37 3h17A1 GLY 161 HA2 0.03 0.01 0.26 -0.51 4.01 3.80 3h17A1 GLY 161 HA3 0.03 0.00 0.47 -0.51 4.01 4.01 3h17A1 LEU 162 H 0.06 0.63 0.20 -0.55 8.37 8.71 3h17A1 LEU 162 HA 0.09 0.19 0.95 -0.75 4.35 4.83 3h17A1 LEU 162 HB2 0.15 -0.08 0.01 -0.04 1.64 1.67 3h17A1 LEU 162 HB3 0.25 0.01 0.07 -0.04 1.64 1.93 3h17A1 LEU 162 HG 0.08 0.05 -0.16 -0.04 1.64 1.57 3h17A1 LEU 162 HD13 0.14 -0.05 0.01 -0.04 0.93 0.98 3h17A1 LEU 162 HD23 0.07 0.04 -0.25 -0.04 0.89 0.71 3h17A1 PRO 163 HA 0.07 0.01 0.55 -0.51 4.44 4.57 3h17A1 PRO 163 HB2 0.10 0.06 -0.07 -0.04 2.28 2.34 3h17A1 PRO 163 HB3 0.06 -0.02 0.13 -0.04 2.02 2.14 3h17A1 PRO 163 HG2 0.14 -0.02 0.12 -0.04 2.03 2.23 3h17A1 PRO 163 HG3 0.04 0.02 0.10 -0.04 2.03 2.14 3h17A1 PRO 163 HD2 0.08 0.10 0.34 -0.04 3.68 4.16 3h17A1 PRO 163 HD3 0.05 0.11 0.17 -0.04 3.65 3.95 3h17A1 MET 164 H 0.07 0.07 0.11 -0.55 8.47 8.17 3h17A1 MET 164 HA 0.06 0.09 0.52 -0.75 4.52 4.44 3h17A1 MET 164 HB2 0.04 -0.01 0.07 -0.04 2.15 2.21 3h17A1 MET 164 HB3 0.01 0.06 0.05 -0.04 2.03 2.10 3h17A1 MET 164 HG2 0.03 -0.01 -0.04 -0.04 2.63 2.57 3h17A1 MET 164 HG3 0.01 0.21 -0.02 -0.04 2.56 2.73 3h17A1 MET 164 HE3 -0.06 0.07 -0.14 -0.04 2.10 1.93 3h17A1 PRO 165 HA 0.25 0.23 0.48 -0.51 4.44 4.89 3h17A1 PRO 165 HB2 0.17 0.03 -0.07 -0.04 2.28 2.37 3h17A1 PRO 165 HB3 0.34 -0.07 -0.04 -0.04 2.02 2.21 3h17A1 PRO 165 HG2 -0.02 0.11 -0.12 -0.04 2.03 1.96 3h17A1 PRO 165 HG3 -0.14 -0.07 -0.03 -0.04 2.03 1.75 3h17A1 PRO 165 HD2 -0.06 0.07 0.12 -0.04 3.68 3.77 3h17A1 PRO 165 HD3 -0.24 0.10 0.12 -0.04 3.65 3.59 3h17A1 ALA 166 H 0.22 0.69 0.34 -0.55 8.40 9.10 3h17A1 ALA 166 HA 0.08 0.09 0.47 -0.75 4.34 4.23 3h17A1 ALA 166 HB3 0.18 0.00 0.10 -0.04 1.41 1.65 3h17A1 SER 167 H -0.05 0.13 0.20 -0.55 8.46 8.20 3h17A1 SER 167 HA -0.01 0.36 0.71 -0.75 4.49 4.79 3h17A1 SER 167 HB2 0.02 -0.09 -0.08 -0.04 3.95 3.77 3h17A1 SER 167 HB3 -0.26 0.06 0.01 -0.04 3.93 3.69 3h17A1 ALA 168 H 0.09 0.59 0.30 -0.55 8.40 8.83 3h17A1 ALA 168 HA -0.03 0.09 0.59 -0.75 4.34 4.24 3h17A1 ALA 168 HB3 -0.05 0.01 -0.01 -0.04 1.41 1.32 3h17A1 ILE 169 H -0.06 0.55 0.23 -0.55 8.25 8.42 3h17A1 ILE 169 HA -0.14 0.34 1.16 -0.75 4.18 4.78 3h17A1 ILE 169 HB -0.06 -0.10 0.17 -0.04 1.89 1.86 3h17A1 ILE 169 HG12 0.05 0.00 -0.06 -0.04 1.49 1.44 3h17A1 ILE 169 HG13 -0.09 0.06 -0.04 -0.04 1.21 1.09 3h17A1 ILE 169 HG23 -0.23 -0.02 -0.08 -0.04 0.93 0.56 3h17A1 ILE 169 HD13 0.08 -0.07 -0.62 -0.04 0.88 0.23 3h17A1 PRO 170 HA -0.12 0.14 0.79 -0.51 4.44 4.73 3h17A1 PRO 170 HB2 -0.05 -0.11 -0.03 -0.04 2.28 2.05 3h17A1 PRO 170 HB3 -0.07 0.18 0.09 -0.04 2.02 2.18 3h17A1 PRO 170 HG2 -0.06 -0.03 0.01 -0.04 2.03 1.91 3h17A1 PRO 170 HG3 -0.07 0.10 -0.04 -0.04 2.03 1.99 3h17A1 PRO 170 HD2 -0.12 0.42 0.26 -0.04 3.68 4.19 3h17A1 PRO 170 HD3 -0.09 0.22 -0.34 -0.04 3.65 3.39 3h17A1 ILE 171 H -0.14 0.81 0.47 -0.55 8.25 8.84 3h17A1 ILE 171 HA -0.14 0.19 1.13 -0.75 4.18 4.60 3h17A1 ILE 171 HB -0.29 -0.08 0.15 -0.04 1.89 1.63 3h17A1 ILE 171 HG12 -0.33 0.06 -0.17 -0.04 1.49 1.01 3h17A1 ILE 171 HG13 -0.20 0.17 -0.20 -0.04 1.21 0.94 3h17A1 ILE 171 HG23 -0.87 -0.03 -0.07 -0.04 0.93 -0.09 3h17A1 ILE 171 HD13 -0.45 -0.01 -0.08 -0.04 0.88 0.29 3h17A1 SER 172 H 0.01 0.59 0.22 -0.55 8.46 8.73 3h17A1 SER 172 HA 0.11 0.13 0.40 -0.75 4.49 4.37 3h17A1 SER 172 HB2 -0.18 0.04 0.06 -0.04 3.95 3.83 3h17A1 SER 172 HB3 0.20 -0.00 0.24 -0.04 3.93 4.32 3h17A1 PRO 173 HA 0.07 0.00 0.18 -0.51 4.44 4.19 3h17A1 PRO 173 HB2 0.05 0.05 -0.46 -0.04 2.28 1.87 3h17A1 PRO 173 HB3 -0.00 0.07 -0.28 -0.04 2.02 1.77 3h17A1 PRO 173 HG2 0.07 -0.04 -0.17 -0.04 2.03 1.84 3h17A1 PRO 173 HG3 0.02 0.16 -0.11 -0.04 2.03 2.06 3h17A1 PRO 173 HD2 0.07 0.06 0.04 -0.04 3.68 3.81 3h17A1 PRO 173 HD3 0.02 0.20 -0.25 -0.04 3.65 3.58 3h17A1 TRP 174 H 0.30 0.56 0.06 -0.55 7.97 8.34 3h17A1 TRP 174 HA 0.07 0.09 0.77 -0.75 4.62 4.80 3h17A1 TRP 174 HB2 0.06 -0.06 -0.01 -0.04 3.23 3.18 3h17A1 TRP 174 HB3 0.03 0.01 0.08 -0.04 3.23 3.31 3h17A1 TRP 174 HD1 0.16 -0.05 0.02 -0.04 7.22 7.31 3h17A1 TRP 174 HE1 0.14 0.13 0.15 -0.04 10.20 10.58 3h17A1 TRP 174 HE3 0.00 -0.20 0.03 -0.04 7.59 7.39 3h17A1 TRP 174 HZ2 0.08 0.07 0.08 -0.04 7.44 7.63 3h17A1 TRP 174 HZ3 0.16 0.08 -0.06 -0.04 7.13 7.27 3h17A1 TRP 174 HH2 0.13 0.02 -0.08 -0.04 7.19 7.21 3h17A1 ALA 175 H 0.19 0.19 -0.17 -0.55 8.40 8.07 3h17A1 ALA 175 HA -0.09 0.42 1.18 -0.75 4.34 5.09 3h17A1 ALA 175 HB3 -0.01 0.01 -0.03 -0.04 1.41 1.34 3h17A1 ASP 176 H -0.18 0.27 -0.46 -0.55 8.40 7.48 3h17A1 ASP 176 HA 0.11 0.17 0.67 -0.75 4.63 4.82 3h17A1 ASP 176 HB2 0.03 0.14 -0.33 -0.04 2.71 2.50 3h17A1 ASP 176 HB3 0.27 -0.10 0.05 -0.04 2.70 2.88 3h17A1 MET 177 H -0.02 0.39 0.08 -0.55 8.47 8.38 3h17A1 MET 177 HA 0.04 0.13 0.72 -0.75 4.52 4.65 3h17A1 MET 177 HB2 -0.07 0.13 0.01 -0.04 2.15 2.17 3h17A1 MET 177 HB3 -0.07 -0.02 0.18 -0.04 2.03 2.08 3h17A1 MET 177 HG2 -0.29 -0.04 -0.14 -0.04 2.63 2.11 3h17A1 MET 177 HG3 -0.27 0.04 -0.09 -0.04 2.56 2.20 3h17A1 MET 177 HE3 -1.51 0.02 -0.14 -0.04 2.10 0.43 3h17A1 THR 178 H 0.17 0.05 -0.27 -0.55 8.28 7.67 3h17A1 THR 178 HA 0.04 0.22 0.69 -0.75 4.39 4.60 3h17A1 THR 178 HB 0.03 0.06 0.03 -0.04 4.32 4.39 3h17A1 THR 178 HG23 -0.01 0.03 -0.13 -0.04 1.22 1.07 3h17A1 CYS 179 H 0.22 0.12 -0.49 -0.55 8.50 7.81 3h17A1 CYS 179 HA -0.04 -0.08 0.26 -0.75 4.58 3.96 3h17A1 CYS 179 HB2 -0.32 0.13 -0.04 -0.04 2.97 2.69 3h17A1 CYS 179 HB3 -1.24 -0.05 0.11 -0.04 2.97 1.75 3h17A1 THR 180 H 0.05 0.01 -0.14 -0.55 8.28 7.64 3h17A1 THR 180 HA -0.08 0.26 0.51 -0.75 4.39 4.32 3h17A1 THR 180 HB 0.05 0.00 0.06 -0.04 4.32 4.39 3h17A1 THR 180 HG23 -0.00 0.12 -0.09 -0.04 1.22 1.20 3h17A1 ASN 181 H 0.36 0.02 -0.16 -0.55 8.53 8.20 3h17A1 ASN 181 HA 0.17 0.15 0.45 -0.75 4.76 4.78 3h17A1 ASN 181 HB2 0.50 0.00 0.04 -0.04 2.88 3.39 3h17A1 ASN 181 HB3 0.17 -0.09 -0.00 -0.04 2.79 2.83 3h17A1 ASN 181 HD21 0.24 0.10 -0.08 -0.04 7.03 7.25 3h17A1 ASN 181 HD22 0.55 -0.00 -0.01 -0.04 7.74 8.23 3h17A1 ASP 182 H 0.11 0.21 0.18 -0.55 8.40 8.35 3h17A1 ASP 182 HA 0.10 0.14 0.33 -0.75 4.63 4.44 3h17A1 ASP 182 HB2 0.05 -0.04 0.15 -0.04 2.71 2.83 3h17A1 ASP 182 HB3 0.04 0.00 0.05 -0.04 2.70 2.75 3h17A1 SER 183 H 0.04 0.01 -0.23 -0.55 8.46 7.73 3h17A1 SER 183 HA -0.03 -0.00 0.28 -0.75 4.49 3.98 3h17A1 SER 183 HB2 -0.13 0.17 0.06 -0.04 3.95 4.01 3h17A1 SER 183 HB3 -0.05 0.02 0.08 -0.04 3.93 3.94 3h17A1 PHE 184 H 0.15 0.45 -0.23 -0.55 8.34 8.16 3h17A1 PHE 184 HA -0.01 -0.01 0.59 -0.75 4.62 4.43 3h17A1 PHE 184 HB2 0.01 0.08 -0.00 -0.04 3.15 3.20 3h17A1 PHE 184 HB3 -0.01 -0.02 0.07 -0.04 3.06 3.07 3h17A1 PHE 184 HD2 -0.01 0.26 0.02 -0.04 7.28 7.51 3h17A1 PHE 184 HE2 -0.04 -0.14 -0.04 -0.04 7.38 7.12 3h17A1 PHE 184 HZ 0.09 -0.01 -0.01 -0.04 7.32 7.35 3h17A1 LYS 185 H 0.14 0.49 -0.03 -0.55 8.42 8.46 3h17A1 LYS 185 HA 0.06 0.15 0.88 -0.75 4.32 4.66 3h17A1 LYS 185 HB2 0.07 -0.01 0.23 -0.04 1.87 2.11 3h17A1 LYS 185 HB3 0.04 -0.01 0.07 -0.04 1.79 1.85 3h17A1 LYS 185 HG2 0.04 0.01 0.02 -0.04 1.46 1.49 3h17A1 LYS 185 HG3 0.07 0.02 -0.12 -0.04 1.46 1.39 3h17A1 LYS 185 HD2 0.07 -0.00 -0.03 -0.04 1.69 1.69 3h17A1 LYS 185 HD3 0.04 -0.02 0.01 -0.04 1.68 1.68 3h17A1 LYS 185 HE2 0.04 0.02 -0.05 -0.04 2.99 2.95 3h17A1 LYS 185 HE3 0.03 0.01 -0.03 -0.04 2.99 2.96 3h17A1 THR 186 H 0.04 0.17 0.07 -0.55 8.28 8.00 3h17A1 THR 186 HA 0.01 0.04 0.29 -0.75 4.39 3.98 3h17A1 THR 186 HB 0.00 0.04 -0.04 -0.04 4.32 4.28 3h17A1 THR 186 HG23 0.01 0.01 0.04 -0.04 1.22 1.24 3h17A1 ARG 187 H -0.02 0.34 -0.42 -0.55 8.46 7.81 3h17A1 ARG 187 HA -0.02 0.12 0.60 -0.75 4.34 4.29 3h17A1 ARG 187 HB2 -0.08 0.24 0.03 -0.04 1.90 2.04 3h17A1 ARG 187 HB3 -0.05 -0.13 -0.17 -0.04 1.80 1.41 3h17A1 ARG 187 HG2 -0.03 -0.16 -0.12 -0.04 1.67 1.32 3h17A1 ARG 187 HG3 -0.05 -0.13 0.07 -0.04 1.67 1.52 3h17A1 ARG 187 HD2 -0.02 -0.07 0.14 -0.04 3.22 3.23 3h17A1 ARG 187 HD3 -0.02 0.03 0.31 -0.04 3.22 3.50 3h17A1 ALA 188 H 0.00 0.73 -0.15 -0.55 8.40 8.43 3h17A1 ALA 188 HA -0.01 -0.06 0.25 -0.75 4.34 3.76 3h17A1 ALA 188 HB3 0.02 0.11 0.17 -0.04 1.41 1.68 3h17A1 GLU 189 H -0.00 0.13 -0.07 -0.55 8.60 8.12 3h17A1 GLU 189 HA -0.00 0.12 0.47 -0.75 4.29 4.12 3h17A1 GLU 189 HB2 -0.00 -0.01 0.09 -0.04 2.09 2.12 3h17A1 GLU 189 HB3 -0.01 0.01 0.02 -0.04 1.99 1.97 3h17A1 GLU 189 HG2 -0.00 0.04 0.05 -0.04 2.34 2.39 3h17A1 GLU 189 HG3 0.00 -0.03 0.02 -0.04 2.34 2.29 3h17A1 ALA 190 H -0.01 0.08 -0.36 -0.55 8.40 7.56 3h17A1 ALA 190 HA -0.01 0.16 0.70 -0.75 4.34 4.43 3h17A1 ALA 190 HB3 -0.02 -0.03 0.06 -0.04 1.41 1.38 3h17A1 ASP 191 H -0.02 0.36 -0.21 -0.55 8.40 7.99 3h17A1 ASP 191 HA 0.00 0.19 0.85 -0.75 4.63 4.92 3h17A1 ASP 191 HB2 -0.03 -0.00 0.01 -0.04 2.71 2.64 3h17A1 ASP 191 HB3 -0.03 -0.02 -0.08 -0.04 2.70 2.53 3h17A1 PRO 192 HA -0.01 0.21 0.10 -0.51 4.44 4.24 3h17A1 PRO 192 HB2 0.00 0.02 0.00 -0.04 2.28 2.27 3h17A1 PRO 192 HB3 -0.01 0.15 0.08 -0.04 2.02 2.21 3h17A1 PRO 192 HG2 -0.01 -0.03 0.05 -0.04 2.03 2.00 3h17A1 PRO 192 HG3 -0.02 0.08 -0.05 -0.04 2.03 1.99 3h17A1 PRO 192 HD2 0.00 0.08 0.17 -0.04 3.68 3.89 3h17A1 PRO 192 HD3 -0.01 0.31 -0.52 -0.04 3.65 3.39 3h17A1 GLY 197 HA2 -0.01 -0.04 0.34 -0.51 4.01 3.80 3h17A1 GLY 197 HA3 -0.02 0.00 0.25 -0.51 4.01 3.73 3h17A1 GLY 198 H -0.01 0.18 0.20 -0.55 8.43 8.26 3h17A1 GLY 198 HA2 0.00 0.12 0.43 -0.51 4.01 4.05 3h17A1 GLY 198 HA3 -0.01 0.10 0.32 -0.51 4.01 3.91 3h17A1 ILE 199 H -0.06 0.09 -0.13 -0.55 8.25 7.61 3h17A1 ILE 199 HA -0.15 0.10 0.66 -0.75 4.18 4.03 3h17A1 ILE 199 HB -0.24 -0.00 0.10 -0.04 1.89 1.71 3h17A1 ILE 199 HG12 -0.52 0.05 -0.07 -0.04 1.49 0.91 3h17A1 ILE 199 HG13 -0.87 -0.02 0.14 -0.04 1.21 0.41 3h17A1 ILE 199 HG23 -0.03 0.02 -0.02 -0.04 0.93 0.85 3h17A1 ILE 199 HD13 -1.09 -0.01 0.01 -0.04 0.88 -0.25 3h17A1 ASN 200 H -0.02 0.32 -0.34 -0.55 8.53 7.95 3h17A1 ASN 200 HA 0.11 0.09 0.73 -0.75 4.76 4.93 3h17A1 ASN 200 HB2 0.01 0.19 0.11 -0.04 2.88 3.15 3h17A1 ASN 200 HB3 0.03 -0.02 0.07 -0.04 2.79 2.83 3h17A1 ASN 200 HD21 -0.16 0.07 -0.03 -0.04 7.03 6.86 3h17A1 ASN 200 HD22 -0.02 0.02 -0.07 -0.04 7.74 7.62 3h17A1 LYS 201 H 0.03 0.33 -0.10 -0.55 8.42 8.12 3h17A1 LYS 201 HA 0.06 0.04 0.39 -0.75 4.32 4.05 3h17A1 LYS 201 HB2 0.03 0.04 0.09 -0.04 1.87 1.99 3h17A1 LYS 201 HB3 0.03 0.06 0.18 -0.04 1.79 2.02 3h17A1 LYS 201 HG2 0.04 0.01 -0.01 -0.04 1.46 1.46 3h17A1 LYS 201 HG3 0.06 -0.02 -0.13 -0.04 1.46 1.32 3h17A1 LYS 201 HD2 0.03 -0.00 0.02 -0.04 1.69 1.70 3h17A1 LYS 201 HD3 0.03 0.01 -0.02 -0.04 1.68 1.66 3h17A1 LYS 201 HE2 0.03 -0.00 -0.02 -0.04 2.99 2.95 3h17A1 LYS 201 HE3 0.04 -0.01 -0.04 -0.04 2.99 2.95 3h17A1 MET 202 H 0.10 0.31 -0.26 -0.55 8.47 8.07 3h17A1 MET 202 HA 0.18 0.05 0.43 -0.75 4.52 4.43 3h17A1 MET 202 HB2 0.18 0.04 0.14 -0.04 2.15 2.48 3h17A1 MET 202 HB3 0.31 0.22 0.12 -0.04 2.03 2.64 3h17A1 MET 202 HG2 0.11 0.00 0.01 -0.04 2.63 2.71 3h17A1 MET 202 HG3 0.06 0.19 0.13 -0.04 2.56 2.91 3h17A1 MET 202 HE3 -0.01 -0.01 -0.11 -0.04 2.10 1.93 3h17A1 ALA 203 H 0.38 0.40 -0.11 -0.55 8.40 8.52 3h17A1 ALA 203 HA 0.29 0.01 0.62 -0.75 4.34 4.51 3h17A1 ALA 203 HB3 0.28 0.07 0.22 -0.04 1.41 1.94 3h17A1 ALA 204 H 0.14 0.49 -0.26 -0.55 8.40 8.23 3h17A1 ALA 204 HA 0.05 -0.05 0.15 -0.75 4.34 3.73 3h17A1 ALA 204 HB3 0.05 0.06 0.14 -0.04 1.41 1.62 3h17A1 ARG 205 H 0.14 0.31 -0.28 -0.55 8.46 8.08 3h17A1 ARG 205 HA 0.08 0.05 0.34 -0.75 4.34 4.05 3h17A1 ARG 205 HB2 0.16 0.04 0.11 -0.04 1.90 2.17 3h17A1 ARG 205 HB3 0.14 -0.06 -0.09 -0.04 1.80 1.74 3h17A1 ARG 205 HG2 0.07 -0.02 0.01 -0.04 1.67 1.69 3h17A1 ARG 205 HG3 0.08 0.07 -0.02 -0.04 1.67 1.76 3h17A1 ARG 205 HD2 0.09 -0.04 -0.14 -0.04 3.22 3.09 3h17A1 ARG 205 HD3 0.09 0.02 -0.07 -0.04 3.22 3.23 3h17A1 TYR 206 H 0.22 0.42 -0.34 -0.55 8.29 8.04 3h17A1 TYR 206 HA 0.05 0.04 0.54 -0.75 4.56 4.44 3h17A1 TYR 206 HB2 0.10 0.05 0.14 -0.04 3.06 3.30 3h17A1 TYR 206 HB3 -0.07 0.05 0.28 -0.04 2.98 3.20 3h17A1 TYR 206 HD2 -0.27 0.06 0.08 -0.04 7.15 6.99 3h17A1 TYR 206 HE2 -0.43 -0.00 0.00 -0.04 6.85 6.38 3h17A1 LEU 207 H 0.05 0.96 0.16 -0.55 8.37 9.00 3h17A1 LEU 207 HA -0.27 -0.00 0.20 -0.75 4.35 3.53 3h17A1 LEU 207 HB2 -0.02 0.04 0.05 -0.04 1.64 1.66 3h17A1 LEU 207 HB3 -0.08 -0.06 -0.03 -0.04 1.64 1.42 3h17A1 LEU 207 HG -0.07 0.02 0.07 -0.04 1.64 1.61 3h17A1 LEU 207 HD13 -0.08 0.05 -0.09 -0.04 0.93 0.77 3h17A1 LEU 207 HD23 -0.40 -0.01 -0.11 -0.04 0.89 0.34 3h17A1 ASN 208 H 0.01 0.49 -0.14 -0.55 8.53 8.34 3h17A1 ASN 208 HA 0.00 0.05 0.33 -0.75 4.76 4.39 3h17A1 ASN 208 HB2 -0.00 0.11 -0.11 -0.04 2.88 2.84 3h17A1 ASN 208 HB3 -0.03 0.17 0.02 -0.04 2.79 2.91 3h17A1 ASN 208 HD21 -0.02 -0.07 0.07 -0.04 7.03 6.97 3h17A1 ASN 208 HD22 -0.03 0.06 0.09 -0.04 7.74 7.82 3h17A1 GLY 209 H -0.02 0.04 -0.18 -0.55 8.43 7.72 3h17A1 GLY 209 HA2 -0.02 -0.05 0.25 -0.51 4.01 3.67 3h17A1 GLY 209 HA3 -0.02 0.12 0.48 -0.51 4.01 4.09 3h17A1 ALA 210 H -0.04 0.31 -0.48 -0.55 8.40 7.64 3h17A1 ALA 210 HA -0.01 0.09 0.57 -0.75 4.34 4.25 3h17A1 ALA 210 HB3 0.04 0.01 0.01 -0.04 1.41 1.42 3h17A1 ASP 211 H -0.00 0.13 0.09 -0.55 8.40 8.08 3h17A1 ASP 211 HA -0.05 0.04 0.37 -0.75 4.63 4.23 3h17A1 ASP 211 HB2 -0.00 0.09 0.12 -0.04 2.71 2.87 3h17A1 ASP 211 HB3 0.05 -0.04 0.07 -0.04 2.70 2.74 3h17A1 ALA 212 H -0.08 0.15 0.13 -0.55 8.40 8.05 3h17A1 ALA 212 HA -0.14 0.21 0.35 -0.75 4.34 4.01 3h17A1 ALA 212 HB3 -0.06 -0.00 -0.03 -0.04 1.41 1.28 3h17A1 LYS 213 H -0.15 0.04 -0.34 -0.55 8.42 7.42 3h17A1 LYS 213 HA -0.21 0.16 0.76 -0.75 4.32 4.27 3h17A1 LYS 213 HB2 -0.30 0.02 -0.01 -0.04 1.87 1.54 3h17A1 LYS 213 HB3 -0.83 0.08 0.14 -0.04 1.79 1.14 3h17A1 LYS 213 HG2 -0.60 -0.02 -0.10 -0.04 1.46 0.69 3h17A1 LYS 213 HG3 -0.28 -0.09 -0.05 -0.04 1.46 1.01 3h17A1 LYS 213 HD2 -0.25 0.00 -0.03 -0.04 1.69 1.38 3h17A1 LYS 213 HD3 -0.46 0.06 -0.00 -0.04 1.68 1.24 3h17A1 LYS 213 HE2 -0.89 0.01 -0.03 -0.04 2.99 2.03 3h17A1 LYS 213 HE3 -0.30 -0.05 -0.06 -0.04 2.99 2.55 3h17A1 HIS 214 H -0.03 0.39 -0.44 -0.55 8.41 7.79 3h17A1 HIS 214 HA -0.09 0.18 0.56 -0.75 4.63 4.52 3h17A1 HIS 214 HB2 -0.10 0.00 0.07 -0.04 3.26 3.19 3h17A1 HIS 214 HB3 -0.26 0.02 0.08 -0.04 3.20 2.99 3h17A1 HIS 214 HD2 -0.00 0.01 0.01 -0.04 6.97 6.94 3h17A1 HIS 214 HE1 -0.74 0.09 -0.05 -0.04 7.75 7.00 3h17A1 PRO 215 HA 0.13 0.18 -0.05 -0.51 4.44 4.19 3h17A1 PRO 215 HB2 0.03 0.02 -0.10 -0.04 2.28 2.18 3h17A1 PRO 215 HB3 0.07 0.01 -0.00 -0.04 2.02 2.05 3h17A1 PRO 215 HG2 -0.39 0.04 0.07 -0.04 2.03 1.71 3h17A1 PRO 215 HG3 -0.13 0.17 0.11 -0.04 2.03 2.14 3h17A1 PRO 215 HD2 -1.23 0.04 0.17 -0.04 3.68 2.61 3h17A1 PRO 215 HD3 -0.28 0.27 0.33 -0.04 3.65 3.93 3h17A1 TYR 216 H 0.73 0.06 -0.43 -0.55 8.29 8.10 3h17A1 TYR 216 HA 0.13 0.18 0.53 -0.75 4.56 4.64 3h17A1 TYR 216 HB2 0.48 -0.04 -0.06 -0.04 3.06 3.39 3h17A1 TYR 216 HB3 0.26 -0.01 -0.03 -0.04 2.98 3.17 3h17A1 TYR 216 HD2 0.13 -0.05 -0.26 -0.04 7.15 6.93 3h17A1 TYR 216 HE2 0.05 0.03 -0.09 -0.04 6.85 6.80 3h17A1 ALA 217 H 0.10 0.24 -0.32 -0.55 8.40 7.89 3h17A1 ALA 217 HA -0.30 0.04 0.53 -0.75 4.34 3.86 3h17A1 ALA 217 HB3 -0.68 -0.01 -0.04 -0.04 1.41 0.64 3h17A1 SER 218 H 0.04 0.68 -0.30 -0.55 8.46 8.33 3h17A1 SER 218 HA -0.07 0.03 0.33 -0.75 4.49 4.02 3h17A1 SER 218 HB2 0.30 0.03 0.04 -0.04 3.95 4.28 3h17A1 SER 218 HB3 0.22 -0.11 0.10 -0.04 3.93 4.10 3h17A1 PRO 219 HA 0.06 0.16 0.34 -0.51 4.44 4.49 3h17A1 PRO 219 HB2 -0.02 -0.02 -0.08 -0.04 2.28 2.12 3h17A1 PRO 219 HB3 0.02 0.09 -0.06 -0.04 2.02 2.03 3h17A1 PRO 219 HG2 -0.02 0.08 -0.07 -0.04 2.03 1.98 3h17A1 PRO 219 HG3 0.03 0.16 -0.25 -0.04 2.03 1.93 3h17A1 PRO 219 HD2 -0.05 -0.03 0.11 -0.04 3.68 3.68 3h17A1 PRO 219 HD3 -0.05 0.22 -0.29 -0.04 3.65 3.49 3h17A1 ASN 220 H -0.15 0.41 -0.08 -0.55 8.53 8.16 3h17A1 ASN 220 HA -0.15 0.12 0.61 -0.75 4.76 4.58 3h17A1 ASN 220 HB2 -0.44 0.13 -0.02 -0.04 2.88 2.51 3h17A1 ASN 220 HB3 -0.50 -0.04 -0.09 -0.04 2.79 2.12 3h17A1 ASN 220 HD21 -0.02 0.08 0.06 -0.04 7.03 7.12 3h17A1 ASN 220 HD22 -0.11 -0.08 -0.11 -0.04 7.74 7.40 3h17A1 PHE 221 H -0.10 0.38 -0.26 -0.55 8.34 7.81 3h17A1 PHE 221 HA 0.00 0.24 0.77 -0.75 4.62 4.87 3h17A1 PHE 221 HB2 -0.02 0.12 0.09 -0.04 3.15 3.30 3h17A1 PHE 221 HB3 -0.02 -0.03 0.18 -0.04 3.06 3.16 3h17A1 PHE 221 HD2 -0.01 0.19 0.01 -0.04 7.28 7.43 3h17A1 PHE 221 HE2 0.00 -0.08 -0.02 -0.04 7.38 7.24 3h17A1 PHE 221 HZ 0.02 -0.12 -0.07 -0.04 7.32 7.11 3h17A1 ALA 222 H 0.01 0.31 -0.35 -0.55 8.40 7.83 3h17A1 ALA 222 HA 0.07 0.15 0.81 -0.75 4.34 4.61 3h17A1 ALA 222 HB3 0.08 0.04 -0.02 -0.04 1.41 1.48 3h17A1 ASN 223 H 0.05 0.14 0.12 -0.55 8.53 8.29 3h17A1 ASN 223 HA 0.02 0.16 1.00 -0.75 4.76 5.19 3h17A1 ASN 223 HB2 0.02 0.01 0.12 -0.04 2.88 2.99 3h17A1 ASN 223 HB3 0.03 0.01 0.21 -0.04 2.79 3.00 3h17A1 ASN 223 HD21 0.02 0.06 0.01 -0.04 7.03 7.07 3h17A1 ASN 223 HD22 0.02 -0.01 0.03 -0.04 7.74 7.74 3h17A1 LEU 224 H 0.01 0.22 0.01 -0.55 8.37 8.07 3h17A1 LEU 224 HA 0.01 0.16 0.58 -0.75 4.35 4.35 3h17A1 LEU 224 HB2 0.00 0.03 -0.04 -0.04 1.64 1.59 3h17A1 LEU 224 HB3 -0.00 0.01 0.05 -0.04 1.64 1.65 3h17A1 LEU 224 HG 0.00 0.08 -0.22 -0.04 1.64 1.45 3h17A1 LEU 224 HD13 -0.02 -0.01 -0.13 -0.04 0.93 0.74 3h17A1 LEU 224 HD23 -0.01 0.03 -0.14 -0.04 0.89 0.74 3h17A1 LYS 225 H 0.01 -0.05 -0.21 -0.55 8.42 7.61 3h17A1 LYS 225 HA 0.01 0.23 0.39 -0.75 4.32 4.19 3h17A1 LYS 225 HB2 0.01 -0.10 0.15 -0.04 1.87 1.90 3h17A1 LYS 225 HB3 0.01 -0.03 0.08 -0.04 1.79 1.81 3h17A1 LYS 225 HG2 0.01 0.25 0.12 -0.04 1.46 1.80 3h17A1 LYS 225 HG3 0.01 -0.09 0.03 -0.04 1.46 1.37 3h17A1 LYS 225 HD2 0.01 -0.07 -0.06 -0.04 1.69 1.53 3h17A1 LYS 225 HD3 0.01 0.08 -0.32 -0.04 1.68 1.42 3h17A1 LYS 225 HE2 0.01 0.09 0.06 -0.04 2.99 3.10 3h17A1 LYS 225 HE3 0.01 -0.07 0.00 -0.04 2.99 2.89 3h17A1 GLY 226 H 0.01 0.17 0.21 -0.55 8.43 8.27 3h17A1 GLY 226 HA2 0.01 -0.04 0.30 -0.51 4.01 3.77 3h17A1 GLY 226 HA3 0.01 0.11 0.67 -0.51 4.01 4.30 3h17A1 LEU 227 H 0.00 0.33 0.03 -0.55 8.37 8.19 3h17A1 LEU 227 HA -0.01 0.07 0.29 -0.75 4.35 3.95 3h17A1 LEU 227 HB2 -0.01 -0.02 -0.04 -0.04 1.64 1.54 3h17A1 LEU 227 HB3 -0.03 0.01 0.05 -0.04 1.64 1.64 3h17A1 LEU 227 HG -0.01 0.18 0.07 -0.04 1.64 1.84 3h17A1 LEU 227 HD13 -0.03 -0.03 -0.03 -0.04 0.93 0.80 3h17A1 LEU 227 HD23 -0.02 -0.01 -0.23 -0.04 0.89 0.58 3h17A1 PRO 228 HA 0.02 0.11 0.37 -0.51 4.44 4.43 3h17A1 PRO 228 HB2 0.02 0.06 -0.33 -0.04 2.28 1.98 3h17A1 PRO 228 HB3 0.03 0.19 -0.01 -0.04 2.02 2.19 3h17A1 PRO 228 HG2 -0.01 -0.04 -0.28 -0.04 2.03 1.65 3h17A1 PRO 228 HG3 0.01 0.08 -0.07 -0.04 2.03 2.01 3h17A1 PRO 228 HD2 -0.02 0.01 -0.00 -0.04 3.68 3.62 3h17A1 PRO 228 HD3 -0.02 0.05 0.15 -0.04 3.65 3.79 3h17A1 PRO 229 HA 0.08 0.11 0.55 -0.51 4.44 4.67 3h17A1 PRO 229 HB2 0.13 -0.02 0.09 -0.04 2.28 2.44 3h17A1 PRO 229 HB3 0.14 -0.07 0.08 -0.04 2.02 2.13 3h17A1 PRO 229 HG2 -0.01 0.09 0.16 -0.04 2.03 2.23 3h17A1 PRO 229 HG3 0.03 -0.05 0.15 -0.04 2.03 2.12 3h17A1 PRO 229 HD2 0.01 0.50 0.31 -0.04 3.68 4.47 3h17A1 PRO 229 HD3 0.02 0.08 0.24 -0.04 3.65 3.95 3h17A1 LEU 230 H 0.07 0.60 0.40 -0.55 8.37 8.90 3h17A1 LEU 230 HA 0.00 0.32 0.87 -0.75 4.35 4.78 3h17A1 LEU 230 HB2 -0.01 0.22 0.25 -0.04 1.64 2.06 3h17A1 LEU 230 HB3 -0.06 -0.18 -0.16 -0.04 1.64 1.20 3h17A1 LEU 230 HG -0.04 -0.07 -0.06 -0.04 1.64 1.43 3h17A1 LEU 230 HD13 -0.01 0.04 -0.13 -0.04 0.93 0.78 3h17A1 LEU 230 HD23 -0.02 -0.04 -0.14 -0.04 0.89 0.65 3h17A1 LEU 231 H -0.28 0.55 0.43 -0.55 8.37 8.53 3h17A1 LEU 231 HA -0.46 0.11 1.02 -0.75 4.35 4.27 3h17A1 LEU 231 HB2 -2.57 0.05 -0.03 -0.04 1.64 -0.94 3h17A1 LEU 231 HB3 -0.70 -0.06 0.14 -0.04 1.64 0.98 3h17A1 LEU 231 HG -0.73 0.02 -0.02 -0.04 1.64 0.87 3h17A1 LEU 231 HD13 -0.34 -0.02 -0.10 -0.04 0.93 0.43 3h17A1 LEU 231 HD23 -0.13 -0.01 -0.24 -0.04 0.89 0.48 3h17A1 ILE 232 H -0.08 0.68 0.33 -0.55 8.25 8.62 3h17A1 ILE 232 HA -0.06 0.31 0.88 -0.75 4.18 4.55 3h17A1 ILE 232 HB 0.01 -0.04 0.16 -0.04 1.89 1.98 3h17A1 ILE 232 HG12 -0.03 0.01 -0.10 -0.04 1.49 1.33 3h17A1 ILE 232 HG13 -0.07 -0.02 -0.47 -0.04 1.21 0.61 3h17A1 ILE 232 HG23 0.05 -0.01 -0.11 -0.04 0.93 0.82 3h17A1 ILE 232 HD13 -0.02 0.01 -0.21 -0.04 0.88 0.62 3h17A1 HIS 233 H 0.07 0.43 0.37 -0.55 8.41 8.74 3h17A1 HIS 233 HA 0.29 0.28 0.89 -0.75 4.63 5.34 3h17A1 HIS 233 HB2 -0.09 0.03 0.17 -0.04 3.26 3.33 3h17A1 HIS 233 HB3 -0.01 -0.14 0.06 -0.04 3.20 3.07 3h17A1 HIS 233 HD2 0.27 0.11 -0.18 -0.04 6.97 7.13 3h17A1 HIS 233 HE1 0.13 0.19 0.00 -0.04 7.75 8.02 3h17A1 VAL 234 H 0.64 0.40 0.25 -0.55 8.24 8.99 3h17A1 VAL 234 HA 0.40 -0.09 0.50 -0.75 4.13 4.19 3h17A1 VAL 234 HB 0.18 0.24 -0.21 -0.04 2.12 2.29 3h17A1 VAL 234 HG13 0.16 0.01 -0.36 -0.04 0.97 0.73 3h17A1 VAL 234 HG23 0.13 0.02 -0.09 -0.04 0.95 0.98 3h17A1 GLY 235 H 0.26 0.14 -0.00 -0.55 8.43 8.28 3h17A1 GLY 235 HA2 -0.21 0.27 0.53 -0.51 4.01 4.09 3h17A1 GLY 235 HA3 -0.03 0.02 -0.16 -0.51 4.01 3.34 3h17A1 ARG 236 H -0.06 0.50 0.13 -0.55 8.46 8.47 3h17A1 ARG 236 HA -0.01 0.04 0.48 -0.75 4.34 4.10 3h17A1 ARG 236 HB2 -0.03 0.05 -0.00 -0.04 1.90 1.87 3h17A1 ARG 236 HB3 -0.05 -0.17 0.18 -0.04 1.80 1.71 3h17A1 ARG 236 HG2 -0.03 -0.03 -0.01 -0.04 1.67 1.56 3h17A1 ARG 236 HG3 -0.02 0.04 -0.08 -0.04 1.67 1.56 3h17A1 ARG 236 HD2 -0.02 0.04 -0.01 -0.04 3.22 3.18 3h17A1 ARG 236 HD3 -0.02 -0.01 0.00 -0.04 3.22 3.15 3h17A1 ASP 237 H -0.04 0.31 -0.20 -0.55 8.40 7.92 3h17A1 ASP 237 HA -0.02 0.14 0.62 -0.75 4.63 4.63 3h17A1 ASP 237 HB2 -0.03 0.17 -0.02 -0.04 2.71 2.79 3h17A1 ASP 237 HB3 -0.02 0.19 0.07 -0.04 2.70 2.90 3h17A1 GLU 238 H -0.01 0.43 -0.41 -0.55 8.60 8.07 3h17A1 GLU 238 HA -0.01 0.23 0.40 -0.75 4.29 4.16 3h17A1 GLU 238 HB2 0.06 -0.08 0.16 -0.04 2.09 2.19 3h17A1 GLU 238 HB3 0.11 0.06 -0.11 -0.04 1.99 2.01 3h17A1 GLU 238 HG2 0.10 0.44 -0.07 -0.04 2.34 2.78 3h17A1 GLU 238 HG3 0.05 -0.20 -0.20 -0.04 2.34 1.95 3h17A1 VAL 239 H -0.10 0.23 0.09 -0.55 8.24 7.91 3h17A1 VAL 239 HA -0.22 0.28 0.15 -0.75 4.13 3.59 3h17A1 VAL 239 HB -0.12 0.13 0.08 -0.04 2.12 2.16 3h17A1 VAL 239 HG13 -0.24 -0.03 -0.04 -0.04 0.97 0.62 3h17A1 VAL 239 HG23 -0.23 0.03 0.02 -0.04 0.95 0.73 3h17A1 LEU 240 H -0.12 0.07 -0.65 -0.55 8.37 7.13 3h17A1 LEU 240 HA -0.43 0.15 0.09 -0.75 4.35 3.41 3h17A1 LEU 240 HB2 -0.01 -0.04 -0.04 -0.04 1.64 1.50 3h17A1 LEU 240 HB3 0.02 0.09 0.01 -0.04 1.64 1.72 3h17A1 LEU 240 HG -0.27 -0.01 -0.09 -0.04 1.64 1.23 3h17A1 LEU 240 HD13 0.07 0.02 -0.14 -0.04 0.93 0.83 3h17A1 LEU 240 HD23 -0.14 0.01 -0.03 -0.04 0.89 0.69 3h17A1 LEU 241 H -0.13 0.47 -0.66 -0.55 8.37 7.50 3h17A1 LEU 241 HA 0.02 0.04 0.22 -0.75 4.35 3.88 3h17A1 LEU 241 HB2 -0.02 0.24 0.12 -0.04 1.64 1.93 3h17A1 LEU 241 HB3 -0.04 -0.10 0.09 -0.04 1.64 1.55 3h17A1 LEU 241 HG -0.00 0.15 0.05 -0.04 1.64 1.80 3h17A1 LEU 241 HD13 -0.00 -0.02 -0.12 -0.04 0.93 0.75 3h17A1 LEU 241 HD23 0.03 -0.02 -0.15 -0.04 0.89 0.72 3h17A1 ASP 242 H -0.08 0.13 -0.22 -0.55 8.40 7.68 3h17A1 ASP 242 HA 0.02 0.10 0.19 -0.75 4.63 4.18 3h17A1 ASP 242 HB2 0.04 -0.02 0.04 -0.04 2.71 2.74 3h17A1 ASP 242 HB3 0.07 0.09 -0.00 -0.04 2.70 2.82 3h17A1 ASP 243 H 0.05 0.08 -0.21 -0.55 8.40 7.77 3h17A1 ASP 243 HA 0.08 0.01 0.38 -0.75 4.63 4.35 3h17A1 ASP 243 HB2 0.10 0.27 0.10 -0.04 2.71 3.14 3h17A1 ASP 243 HB3 0.15 0.14 -0.03 -0.04 2.70 2.92 3h17A1 SER 244 H 0.05 0.40 -0.29 -0.55 8.46 8.07 3h17A1 SER 244 HA 0.04 0.12 0.62 -0.75 4.49 4.51 3h17A1 SER 244 HB2 0.07 0.12 0.08 -0.04 3.95 4.17 3h17A1 SER 244 HB3 0.07 -0.03 -0.15 -0.04 3.93 3.79 3h17A1 ILE 245 H 0.03 0.42 -0.03 -0.55 8.25 8.12 3h17A1 ILE 245 HA 0.03 0.12 0.48 -0.75 4.18 4.06 3h17A1 ILE 245 HB 0.02 0.01 0.07 -0.04 1.89 1.95 3h17A1 ILE 245 HG12 0.03 0.02 -0.05 -0.04 1.49 1.45 3h17A1 ILE 245 HG13 0.03 0.07 -0.05 -0.04 1.21 1.22 3h17A1 ILE 245 HG23 0.02 0.00 -0.04 -0.04 0.93 0.87 3h17A1 ILE 245 HD13 0.02 -0.02 -0.07 -0.04 0.88 0.77 3h17A1 LYS 246 H 0.01 0.45 -0.14 -0.55 8.42 8.19 3h17A1 LYS 246 HA -0.01 0.07 0.37 -0.75 4.32 3.99 3h17A1 LYS 246 HB2 -0.03 0.05 0.02 -0.04 1.87 1.87 3h17A1 LYS 246 HB3 -0.05 0.05 0.03 -0.04 1.79 1.79 3h17A1 LYS 246 HG2 0.01 -0.03 -0.05 -0.04 1.46 1.35 3h17A1 LYS 246 HG3 0.02 0.22 -0.03 -0.04 1.46 1.64 3h17A1 LYS 246 HD2 0.04 -0.09 -0.12 -0.04 1.69 1.48 3h17A1 LYS 246 HD3 0.00 0.08 -0.05 -0.04 1.68 1.68 3h17A1 LYS 246 HE2 0.03 0.07 -0.03 -0.04 2.99 3.02 3h17A1 LYS 246 HE3 0.04 -0.08 -0.04 -0.04 2.99 2.88 3h17A1 LEU 247 H 0.00 0.19 -0.43 -0.55 8.37 7.59 3h17A1 LEU 247 HA -0.04 0.05 0.29 -0.75 4.35 3.90 3h17A1 LEU 247 HB2 -0.01 0.03 0.11 -0.04 1.64 1.74 3h17A1 LEU 247 HB3 0.00 0.09 0.10 -0.04 1.64 1.79 3h17A1 LEU 247 HG -0.02 0.03 -0.15 -0.04 1.64 1.46 3h17A1 LEU 247 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.79 3h17A1 LEU 247 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.74 3h17A1 ASP 248 H 0.00 0.12 -0.84 -0.55 8.40 7.14 3h17A1 ASP 248 HA -0.00 0.08 0.08 -0.75 4.63 4.03 3h17A1 ASP 248 HB2 0.01 0.05 0.05 -0.04 2.71 2.78 3h17A1 ASP 248 HB3 0.01 0.09 0.14 -0.04 2.70 2.90 3h17A1 ALA 249 H 0.00 0.56 0.05 -0.55 8.40 8.46 3h17A1 ALA 249 HA 0.00 0.00 0.46 -0.75 4.34 4.05 3h17A1 ALA 249 HB3 0.00 -0.00 0.11 -0.04 1.41 1.48 3h17A1 LYS 250 H -0.02 0.57 -0.23 -0.55 8.42 8.19 3h17A1 LYS 250 HA -0.01 -0.01 0.30 -0.75 4.32 3.85 3h17A1 LYS 250 HB2 -0.05 0.02 0.13 -0.04 1.87 1.94 3h17A1 LYS 250 HB3 -0.03 0.05 0.11 -0.04 1.79 1.88 3h17A1 LYS 250 HG2 -0.03 0.05 -0.04 -0.04 1.46 1.41 3h17A1 LYS 250 HG3 -0.01 -0.07 -0.14 -0.04 1.46 1.20 3h17A1 LYS 250 HD2 -0.00 -0.09 0.02 -0.04 1.69 1.57 3h17A1 LYS 250 HD3 -0.02 0.09 -0.00 -0.04 1.68 1.70 3h17A1 LYS 250 HE2 0.01 -0.06 -0.02 -0.04 2.99 2.87 3h17A1 LYS 250 HE3 0.02 -0.07 -0.05 -0.04 2.99 2.86 3h17A1 ALA 251 H -0.01 0.52 -0.07 -0.55 8.40 8.30 3h17A1 ALA 251 HA -0.00 -0.02 0.36 -0.75 4.34 3.92 3h17A1 ALA 251 HB3 -0.00 0.04 -0.02 -0.04 1.41 1.39 3h17A1 LYS 252 H 0.00 0.55 -0.24 -0.55 8.42 8.17 3h17A1 LYS 252 HA 0.01 0.14 0.38 -0.75 4.32 4.09 3h17A1 LYS 252 HB2 0.01 0.12 0.25 -0.04 1.87 2.21 3h17A1 LYS 252 HB3 0.01 -0.08 0.04 -0.04 1.79 1.72 3h17A1 LYS 252 HG2 0.01 0.38 0.04 -0.04 1.46 1.85 3h17A1 LYS 252 HG3 0.01 -0.15 -0.05 -0.04 1.46 1.22 3h17A1 LYS 252 HD2 0.01 -0.02 0.04 -0.04 1.69 1.68 3h17A1 LYS 252 HD3 0.01 0.12 0.02 -0.04 1.68 1.79 3h17A1 LYS 252 HE2 0.01 -0.02 0.05 -0.04 2.99 2.99 3h17A1 LYS 252 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 3h17A1 ALA 253 H 0.01 0.51 0.12 -0.55 8.40 8.49 3h17A1 ALA 253 HA 0.01 -0.09 0.46 -0.75 4.34 3.97 3h17A1 ALA 253 HB3 0.01 0.05 0.14 -0.04 1.41 1.57 3h17A1 ASP 254 H 0.00 0.31 -0.64 -0.55 8.40 7.52 3h17A1 ASP 254 HA 0.01 0.21 0.93 -0.75 4.63 5.03 3h17A1 ASP 254 HB2 0.00 0.09 0.02 -0.04 2.71 2.79 3h17A1 ASP 254 HB3 0.01 -0.14 0.01 -0.04 2.70 2.54 3h17A1 GLY 255 H 0.01 0.66 -0.07 -0.55 8.43 8.48 3h17A1 GLY 255 HA2 0.01 -0.05 0.32 -0.51 4.01 3.79 3h17A1 GLY 255 HA3 0.01 0.10 0.89 -0.51 4.01 4.50 3h17A1 VAL 256 H 0.01 0.47 -0.11 -0.55 8.24 8.06 3h17A1 VAL 256 HA 0.02 0.14 0.46 -0.75 4.13 3.99 3h17A1 VAL 256 HB 0.00 -0.13 0.00 -0.04 2.12 1.95 3h17A1 VAL 256 HG13 0.01 -0.01 -0.26 -0.04 0.97 0.67 3h17A1 VAL 256 HG23 0.01 0.06 -0.13 -0.04 0.95 0.84 3h17A1 LYS 257 H 0.03 0.19 0.12 -0.55 8.42 8.20 3h17A1 LYS 257 HA 0.03 0.10 0.80 -0.75 4.32 4.49 3h17A1 LYS 257 HB2 0.07 -0.08 0.11 -0.04 1.87 1.93 3h17A1 LYS 257 HB3 0.06 -0.01 0.04 -0.04 1.79 1.84 3h17A1 LYS 257 HG2 0.03 0.05 0.12 -0.04 1.46 1.62 3h17A1 LYS 257 HG3 0.04 0.04 0.08 -0.04 1.46 1.58 3h17A1 LYS 257 HD2 0.04 -0.04 0.03 -0.04 1.69 1.68 3h17A1 LYS 257 HD3 0.03 0.01 0.02 -0.04 1.68 1.70 3h17A1 LYS 257 HE2 0.03 -0.05 0.01 -0.04 2.99 2.94 3h17A1 LYS 257 HE3 0.02 0.02 0.01 -0.04 2.99 3.00 3h17A1 SER 258 H 0.02 0.34 0.23 -0.55 8.46 8.51 3h17A1 SER 258 HA -0.01 0.47 0.91 -0.75 4.49 5.11 3h17A1 SER 258 HB2 -0.00 -0.13 -0.48 -0.04 3.95 3.30 3h17A1 SER 258 HB3 -0.03 -0.02 -0.14 -0.04 3.93 3.70 3h17A1 THR 259 H -0.09 0.45 0.20 -0.55 8.28 8.30 3h17A1 THR 259 HA 0.01 0.10 0.77 -0.75 4.39 4.51 3h17A1 THR 259 HB -0.14 -0.06 0.22 -0.04 4.32 4.31 3h17A1 THR 259 HG23 0.04 0.00 -0.09 -0.04 1.22 1.13 3h17A1 LEU 260 H 0.02 0.18 0.13 -0.55 8.37 8.16 3h17A1 LEU 260 HA 0.06 0.17 0.82 -0.75 4.35 4.65 3h17A1 LEU 260 HB2 0.03 0.02 0.09 -0.04 1.64 1.73 3h17A1 LEU 260 HB3 0.04 -0.05 0.05 -0.04 1.64 1.64 3h17A1 LEU 260 HG 0.05 0.11 -0.05 -0.04 1.64 1.70 3h17A1 LEU 260 HD13 0.03 -0.03 -0.08 -0.04 0.93 0.81 3h17A1 LEU 260 HD23 0.10 -0.03 -0.24 -0.04 0.89 0.68 3h17A1 GLU 261 H 0.23 0.79 0.20 -0.55 8.60 9.27 3h17A1 GLU 261 HA 0.09 0.25 0.95 -0.75 4.29 4.83 3h17A1 GLU 261 HB2 0.59 -0.10 0.22 -0.04 2.09 2.75 3h17A1 GLU 261 HB3 0.15 -0.01 0.02 -0.04 1.99 2.11 3h17A1 GLU 261 HG2 0.15 0.07 -0.36 -0.04 2.34 2.15 3h17A1 GLU 261 HG3 0.35 0.05 -0.16 -0.04 2.34 2.55 3h17A1 ILE 262 H 0.07 0.16 -0.11 -0.55 8.25 7.82 3h17A1 ILE 262 HA 0.18 0.25 0.64 -0.75 4.18 4.49 3h17A1 ILE 262 HB 0.02 0.00 0.07 -0.04 1.89 1.94 3h17A1 ILE 262 HG12 0.07 -0.02 -0.17 -0.04 1.49 1.34 3h17A1 ILE 262 HG13 0.08 -0.04 -0.14 -0.04 1.21 1.06 3h17A1 ILE 262 HG23 0.03 -0.03 -0.27 -0.04 0.93 0.62 3h17A1 ILE 262 HD13 0.03 0.01 -0.07 -0.04 0.88 0.81 3h17A1 TRP 263 H 0.21 0.45 0.36 -0.55 7.97 8.45 3h17A1 TRP 263 HA -0.20 0.14 0.67 -0.75 4.62 4.48 3h17A1 TRP 263 HB2 -1.12 -0.13 0.13 -0.04 3.23 2.08 3h17A1 TRP 263 HB3 -0.64 0.04 -0.00 -0.04 3.23 2.59 3h17A1 TRP 263 HD1 -0.02 0.35 0.02 -0.04 7.22 7.54 3h17A1 TRP 263 HE1 -0.25 0.06 -0.01 -0.04 10.20 9.96 3h17A1 TRP 263 HE3 -0.26 -0.04 -0.03 -0.04 7.59 7.22 3h17A1 TRP 263 HZ2 0.06 0.08 -0.04 -0.04 7.44 7.50 3h17A1 TRP 263 HZ3 0.02 -0.07 -0.03 -0.04 7.13 7.01 3h17A1 TRP 263 HH2 0.06 0.05 -0.24 -0.04 7.19 7.02 3h17A1 ASP 264 H -0.12 0.21 0.18 -0.55 8.40 8.12 3h17A1 ASP 264 HA -0.08 -0.00 0.51 -0.75 4.63 4.30 3h17A1 ASP 264 HB2 -0.08 0.08 -0.02 -0.04 2.71 2.66 3h17A1 ASP 264 HB3 -0.06 -0.03 0.12 -0.04 2.70 2.69 3h17A1 ASP 265 H -0.07 0.16 0.16 -0.55 8.40 8.10 3h17A1 ASP 265 HA -0.07 0.08 0.31 -0.75 4.63 4.19 3h17A1 ASP 265 HB2 -0.08 0.09 0.10 -0.04 2.71 2.78 3h17A1 ASP 265 HB3 -0.06 0.01 0.15 -0.04 2.70 2.76 3h17A1 MET 266 H -0.21 0.07 -0.79 -0.55 8.47 7.00 3h17A1 MET 266 HA -0.22 0.20 0.82 -0.75 4.52 4.57 3h17A1 MET 266 HB2 -0.75 0.13 0.01 -0.04 2.15 1.50 3h17A1 MET 266 HB3 -1.04 -0.03 0.01 -0.04 2.03 0.93 3h17A1 MET 266 HG2 -0.48 0.18 -0.23 -0.04 2.63 2.06 3h17A1 MET 266 HG3 -2.05 -0.04 -0.10 -0.04 2.56 0.34 3h17A1 MET 266 HE3 -0.13 0.11 -0.24 -0.04 2.10 1.79 3h17A1 ILE 267 H 0.08 0.14 0.12 -0.55 8.25 8.04 3h17A1 ILE 267 HA 0.11 0.32 0.68 -0.75 4.18 4.53 3h17A1 ILE 267 HB 0.12 0.02 0.17 -0.04 1.89 2.16 3h17A1 ILE 267 HG12 0.07 -0.06 0.01 -0.04 1.49 1.46 3h17A1 ILE 267 HG13 0.28 -0.03 -0.26 -0.04 1.21 1.16 3h17A1 ILE 267 HG23 -0.00 0.08 -0.07 -0.04 0.93 0.90 3h17A1 ILE 267 HD13 -0.05 0.03 -0.03 -0.04 0.88 0.80 3h17A1 HIS 268 H 0.26 0.26 0.12 -0.55 8.41 8.51 3h17A1 HIS 268 HA 0.19 -0.12 0.33 -0.75 4.63 4.27 3h17A1 HIS 268 HB2 0.07 -0.00 0.18 -0.04 3.26 3.46 3h17A1 HIS 268 HB3 0.12 0.14 0.11 -0.04 3.20 3.52 3h17A1 HIS 268 HD2 0.05 0.08 -0.07 -0.04 6.97 6.98 3h17A1 HIS 268 HE1 0.01 0.12 0.10 -0.04 7.75 7.94 3h17A1 VAL 269 H -0.10 0.04 0.13 -0.55 8.24 7.76 3h17A1 VAL 269 HA -0.37 -0.05 0.36 -0.75 4.13 3.32 3h17A1 VAL 269 HB -0.26 0.16 -0.04 -0.04 2.12 1.94 3h17A1 VAL 269 HG13 -0.30 -0.02 0.04 -0.04 0.97 0.65 3h17A1 VAL 269 HG23 -0.96 -0.01 -0.08 -0.04 0.95 -0.15 3h17A1 TRP 270 H 0.30 0.14 -0.05 -0.55 7.97 7.81 3h17A1 TRP 270 HA 0.42 0.16 0.21 -0.75 4.62 4.66 3h17A1 TRP 270 HB2 0.07 -0.02 0.03 -0.04 3.23 3.26 3h17A1 TRP 270 HB3 0.07 0.16 0.08 -0.04 3.23 3.50 3h17A1 TRP 270 HD1 -0.20 -0.10 -0.56 -0.04 7.22 6.32 3h17A1 TRP 270 HE1 -1.11 0.23 -0.14 -0.04 10.20 9.15 3h17A1 TRP 270 HE3 0.02 0.29 -0.05 -0.04 7.59 7.81 3h17A1 TRP 270 HZ2 -2.48 0.11 -0.00 -0.04 7.44 5.03 3h17A1 TRP 270 HZ3 0.01 -0.20 -0.24 -0.04 7.13 6.66 3h17A1 TRP 270 HH2 -0.36 -0.05 0.07 -0.04 7.19 6.80 3h17A1 HIS 271 H -0.43 -0.00 -0.36 -0.55 8.41 7.07 3h17A1 HIS 271 HA -0.33 0.12 0.44 -0.75 4.63 4.11 3h17A1 HIS 271 HB2 -0.37 0.01 -0.08 -0.04 3.26 2.79 3h17A1 HIS 271 HB3 -0.30 0.08 0.01 -0.04 3.20 2.95 3h17A1 HIS 271 HD2 -0.29 0.09 -0.15 -0.04 6.97 6.57 3h17A1 HIS 271 HE1 -2.33 -0.06 -0.04 -0.04 7.75 5.27 3h17A1 ALA 272 H -0.15 0.75 -0.39 -0.55 8.40 8.06 3h17A1 ALA 272 HA -0.06 0.01 0.07 -0.75 4.34 3.61 3h17A1 ALA 272 HB3 -0.50 0.01 0.11 -0.04 1.41 0.99 3h17A1 PHE 273 H 0.09 0.61 -0.45 -0.55 8.34 8.03 3h17A1 PHE 273 HA 0.04 0.23 0.79 -0.75 4.62 4.93 3h17A1 PHE 273 HB2 0.09 -0.00 0.09 -0.04 3.15 3.29 3h17A1 PHE 273 HB3 0.05 -0.05 0.14 -0.04 3.06 3.16 3h17A1 PHE 273 HD2 0.18 -0.02 0.01 -0.04 7.28 7.40 3h17A1 PHE 273 HE2 0.08 0.07 -0.08 -0.04 7.38 7.42 3h17A1 PHE 273 HZ 0.05 0.00 -0.05 -0.04 7.32 7.28 3h17A1 HIS 274 H 0.11 0.47 -0.40 -0.55 8.41 8.05 3h17A1 HIS 274 HA 0.02 -0.04 0.35 -0.75 4.63 4.20 3h17A1 HIS 274 HB2 -0.04 -0.05 -0.09 -0.04 3.26 3.04 3h17A1 HIS 274 HB3 -0.06 0.08 -0.05 -0.04 3.20 3.13 3h17A1 HIS 274 HD2 -0.08 -0.03 -0.24 -0.04 6.97 6.58 3h17A1 HIS 274 HE1 -0.08 -0.11 -0.25 -0.04 7.75 7.27 3h17A1 PRO 275 HA -0.20 0.06 0.37 -0.51 4.44 4.15 3h17A1 PRO 275 HB2 -0.49 0.03 -0.06 -0.04 2.28 1.72 3h17A1 PRO 275 HB3 -0.37 0.02 0.05 -0.04 2.02 1.69 3h17A1 PRO 275 HG2 -1.29 0.06 0.01 -0.04 2.03 0.77 3h17A1 PRO 275 HG3 -0.83 0.00 -0.01 -0.04 2.03 1.15 3h17A1 PRO 275 HD2 -0.68 0.09 -0.15 -0.04 3.68 2.89 3h17A1 PRO 275 HD3 -1.72 0.09 -0.09 -0.04 3.65 1.89 3h17A1 MET 276 H -0.10 0.36 -0.24 -0.55 8.47 7.94 3h17A1 MET 276 HA -0.04 0.36 1.20 -0.75 4.52 5.28 3h17A1 MET 276 HB2 -0.01 -0.04 0.18 -0.04 2.15 2.24 3h17A1 MET 276 HB3 -0.04 0.01 -0.08 -0.04 2.03 1.88 3h17A1 MET 276 HG2 0.02 -0.05 -0.10 -0.04 2.63 2.46 3h17A1 MET 276 HG3 0.03 -0.01 -0.01 -0.04 2.56 2.53 3h17A1 MET 276 HE3 0.07 0.00 -0.03 -0.04 2.10 2.10 3h17A1 LEU 277 H 0.03 0.35 -0.19 -0.55 8.37 8.02 3h17A1 LEU 277 HA 0.05 0.18 0.84 -0.75 4.35 4.67 3h17A1 LEU 277 HB2 0.11 0.10 -0.17 -0.04 1.64 1.63 3h17A1 LEU 277 HB3 0.18 0.05 -0.12 -0.04 1.64 1.71 3h17A1 LEU 277 HG 0.15 -0.33 -0.18 -0.04 1.64 1.24 3h17A1 LEU 277 HD13 0.03 0.04 -0.12 -0.04 0.93 0.84 3h17A1 LEU 277 HD23 0.23 0.04 -0.07 -0.04 0.89 1.05 3h17A1 PRO 278 HA 0.07 0.15 0.45 -0.51 4.44 4.60 3h17A1 PRO 278 HB2 0.06 -0.02 0.12 -0.04 2.28 2.40 3h17A1 PRO 278 HB3 0.06 0.10 0.11 -0.04 2.02 2.25 3h17A1 PRO 278 HG2 0.03 0.05 0.11 -0.04 2.03 2.17 3h17A1 PRO 278 HG3 0.03 0.14 0.03 -0.04 2.03 2.19 3h17A1 PRO 278 HD2 0.04 -0.03 0.24 -0.04 3.68 3.89 3h17A1 PRO 278 HD3 0.03 0.37 0.26 -0.04 3.65 4.27 3h17A1 GLU 279 H 0.11 0.14 -0.16 -0.55 8.60 8.15 3h17A1 GLU 279 HA 0.27 0.13 0.41 -0.75 4.29 4.35 3h17A1 GLU 279 HB2 0.08 -0.01 -0.09 -0.04 2.09 2.03 3h17A1 GLU 279 HB3 0.13 0.02 -0.04 -0.04 1.99 2.05 3h17A1 GLU 279 HG2 0.14 0.09 -0.03 -0.04 2.34 2.49 3h17A1 GLU 279 HG3 0.23 0.05 -0.02 -0.04 2.34 2.56 3h17A1 GLY 280 H 0.17 0.24 -0.52 -0.55 8.43 7.76 3h17A1 GLY 280 HA2 -0.01 -0.05 0.22 -0.51 4.01 3.67 3h17A1 GLY 280 HA3 0.13 0.16 0.15 -0.51 4.01 3.94 3h17A1 LYS 281 H 0.08 0.40 -0.20 -0.55 8.42 8.15 3h17A1 LYS 281 HA 0.03 0.05 0.13 -0.75 4.32 3.78 3h17A1 LYS 281 HB2 0.07 0.07 0.21 -0.04 1.87 2.18 3h17A1 LYS 281 HB3 0.06 0.03 -0.05 -0.04 1.79 1.79 3h17A1 LYS 281 HG2 0.04 -0.02 -0.00 -0.04 1.46 1.44 3h17A1 LYS 281 HG3 0.08 0.02 0.01 -0.04 1.46 1.53 3h17A1 LYS 281 HD2 0.04 -0.00 -0.02 -0.04 1.69 1.67 3h17A1 LYS 281 HD3 0.05 0.07 -0.04 -0.04 1.68 1.71 3h17A1 LYS 281 HE2 0.06 0.06 0.06 -0.04 2.99 3.13 3h17A1 LYS 281 HE3 0.04 -0.00 -0.01 -0.04 2.99 2.98 3h17A1 GLN 282 H 0.09 0.28 -0.21 -0.55 8.47 8.08 3h17A1 GLN 282 HA 0.11 0.10 0.25 -0.75 4.36 4.07 3h17A1 GLN 282 HB2 0.44 0.01 -0.15 -0.04 2.15 2.41 3h17A1 GLN 282 HB3 0.23 0.02 0.03 -0.04 2.02 2.26 3h17A1 GLN 282 HG2 0.13 -0.00 -0.00 -0.04 2.40 2.49 3h17A1 GLN 282 HG3 0.18 0.28 0.07 -0.04 2.39 2.88 3h17A1 GLN 282 HE21 0.11 0.00 -0.05 -0.04 6.97 6.99 3h17A1 GLN 282 HE22 0.16 0.03 -0.04 -0.04 7.69 7.80 3h17A1 ALA 283 H -0.15 0.53 -0.35 -0.55 8.40 7.88 3h17A1 ALA 283 HA -0.18 0.07 0.49 -0.75 4.34 3.97 3h17A1 ALA 283 HB3 -1.09 -0.01 0.09 -0.04 1.41 0.35 3h17A1 ILE 284 H -0.18 0.46 -0.19 -0.55 8.25 7.79 3h17A1 ILE 284 HA 0.02 -0.01 0.38 -0.75 4.18 3.81 3h17A1 ILE 284 HB -0.08 0.18 0.14 -0.04 1.89 2.10 3h17A1 ILE 284 HG12 -0.05 -0.17 0.04 -0.04 1.49 1.27 3h17A1 ILE 284 HG13 -0.16 0.40 0.15 -0.04 1.21 1.57 3h17A1 ILE 284 HG23 -0.10 -0.01 -0.23 -0.04 0.93 0.55 3h17A1 ILE 284 HD13 -0.23 0.02 0.01 -0.04 0.88 0.64 3h17A1 VAL 285 H 0.02 0.57 0.00 -0.55 8.24 8.29 3h17A1 VAL 285 HA 0.05 0.05 0.35 -0.75 4.13 3.82 3h17A1 VAL 285 HB 0.11 0.11 0.10 -0.04 2.12 2.40 3h17A1 VAL 285 HG13 0.08 -0.01 -0.11 -0.04 0.97 0.89 3h17A1 VAL 285 HG23 0.05 0.05 0.04 -0.04 0.95 1.05 3h17A1 ARG 286 H 0.14 0.26 -0.98 -0.55 8.46 7.33 3h17A1 ARG 286 HA 0.17 0.04 0.23 -0.75 4.34 4.03 3h17A1 ARG 286 HB2 0.29 -0.03 0.04 -0.04 1.90 2.16 3h17A1 ARG 286 HB3 0.39 0.13 0.16 -0.04 1.80 2.44 3h17A1 ARG 286 HG2 0.52 -0.06 -0.03 -0.04 1.67 2.07 3h17A1 ARG 286 HG3 0.34 0.02 -0.23 -0.04 1.67 1.76 3h17A1 ARG 286 HD2 0.22 -0.06 0.10 -0.04 3.22 3.44 3h17A1 ARG 286 HD3 0.21 -0.00 0.00 -0.04 3.22 3.40 3h17A1 VAL 287 H 0.11 0.36 -0.09 -0.55 8.24 8.07 3h17A1 VAL 287 HA 0.01 0.03 0.44 -0.75 4.13 3.86 3h17A1 VAL 287 HB 0.02 0.08 0.15 -0.04 2.12 2.33 3h17A1 VAL 287 HG13 -0.05 -0.02 -0.05 -0.04 0.97 0.82 3h17A1 VAL 287 HG23 -0.01 0.09 0.00 -0.04 0.95 0.99 3h17A1 GLY 288 H 0.06 0.47 -0.20 -0.55 8.43 8.21 3h17A1 GLY 288 HA2 0.05 -0.02 0.12 -0.51 4.01 3.65 3h17A1 GLY 288 HA3 0.06 0.15 -0.01 -0.51 4.01 3.70 3h17A1 GLU 289 H 0.10 0.39 -0.12 -0.55 8.60 8.42 3h17A1 GLU 289 HA 0.06 0.06 0.44 -0.75 4.29 4.10 3h17A1 GLU 289 HB2 0.13 0.01 0.14 -0.04 2.09 2.33 3h17A1 GLU 289 HB3 0.08 -0.05 0.01 -0.04 1.99 2.00 3h17A1 GLU 289 HG2 0.07 -0.03 0.03 -0.04 2.34 2.37 3h17A1 GLU 289 HG3 0.08 0.12 0.07 -0.04 2.34 2.56 3h17A1 PHE 290 H 0.19 0.52 -0.22 -0.55 8.34 8.29 3h17A1 PHE 290 HA -0.02 -0.01 0.38 -0.75 4.62 4.21 3h17A1 PHE 290 HB2 0.00 -0.02 0.10 -0.04 3.15 3.18 3h17A1 PHE 290 HB3 -0.06 0.11 0.15 -0.04 3.06 3.22 3h17A1 PHE 290 HD2 -0.07 -0.01 -0.13 -0.04 7.28 7.03 3h17A1 PHE 290 HE2 -0.07 0.01 -0.16 -0.04 7.38 7.13 3h17A1 PHE 290 HZ -0.05 0.01 -0.42 -0.04 7.32 6.82 3h17A1 MET 291 H -0.07 0.50 -0.08 -0.55 8.47 8.28 3h17A1 MET 291 HA -0.64 0.07 0.56 -0.75 4.52 3.75 3h17A1 MET 291 HB2 -1.31 0.05 -0.14 -0.04 2.15 0.71 3h17A1 MET 291 HB3 -0.60 -0.08 -0.03 -0.04 2.03 1.28 3h17A1 MET 291 HG2 -0.09 0.23 -0.03 -0.04 2.63 2.70 3h17A1 MET 291 HG3 -0.12 0.08 -0.04 -0.04 2.56 2.44 3h17A1 MET 291 HE3 0.04 -0.02 -0.25 -0.04 2.10 1.83 3h17A1 ARG 292 H -0.06 0.70 -0.13 -0.55 8.46 8.41 3h17A1 ARG 292 HA 0.36 0.05 0.49 -0.75 4.34 4.49 3h17A1 ARG 292 HB2 0.08 0.19 0.19 -0.04 1.90 2.32 3h17A1 ARG 292 HB3 0.10 -0.09 -0.03 -0.04 1.80 1.74 3h17A1 ARG 292 HG2 0.28 -0.06 0.04 -0.04 1.67 1.89 3h17A1 ARG 292 HG3 0.24 0.17 0.04 -0.04 1.67 2.08 3h17A1 ARG 292 HD2 0.09 -0.09 -0.03 -0.04 3.22 3.15 3h17A1 ARG 292 HD3 0.11 -0.04 -0.07 -0.04 3.22 3.18 3h17A1 GLU 293 H -0.08 0.87 -0.02 -0.55 8.60 8.82 3h17A1 GLU 293 HA -0.02 -0.05 0.43 -0.75 4.29 3.89 3h17A1 GLU 293 HB2 -0.07 0.12 0.10 -0.04 2.09 2.20 3h17A1 GLU 293 HB3 -0.31 0.14 0.11 -0.04 1.99 1.88 3h17A1 GLU 293 HG2 -0.06 -0.01 -0.04 -0.04 2.34 2.18 3h17A1 GLU 293 HG3 -0.02 -0.07 -0.00 -0.04 2.34 2.21 3h17A1 GLN 294 H -0.43 0.44 -0.25 -0.55 8.47 7.67 3h17A1 GLN 294 HA -0.21 -0.04 0.20 -0.75 4.36 3.56 3h17A1 GLN 294 HB2 -0.60 -0.01 0.07 -0.04 2.15 1.57 3h17A1 GLN 294 HB3 -0.28 0.09 -0.16 -0.04 2.02 1.62 3h17A1 GLN 294 HG2 -1.14 0.01 -0.01 -0.04 2.40 1.22 3h17A1 GLN 294 HG3 -0.33 0.10 0.03 -0.04 2.39 2.15 3h17A1 GLN 294 HE21 -0.30 -0.09 -0.13 -0.04 6.97 6.41 3h17A1 GLN 294 HE22 -1.07 0.16 -0.01 -0.04 7.69 6.73 3h17A1 TRP 295 H -0.09 0.61 -0.19 -0.55 7.97 7.76 3h17A1 TRP 295 HA 0.02 0.18 0.79 -0.75 4.62 4.86 3h17A1 TRP 295 HB2 0.01 0.09 0.18 -0.04 3.23 3.47 3h17A1 TRP 295 HB3 0.05 -0.11 0.04 -0.04 3.23 3.17 3h17A1 TRP 295 HD1 0.08 0.31 0.12 -0.04 7.22 7.69 3h17A1 TRP 295 HE1 0.11 0.01 -0.69 -0.04 10.20 9.59 3h17A1 TRP 295 HE3 0.02 0.02 -0.15 -0.04 7.59 7.44 3h17A1 TRP 295 HZ2 0.10 -0.04 -0.27 -0.04 7.44 7.19 3h17A1 TRP 295 HZ3 0.04 0.16 -0.19 -0.04 7.13 7.09 3h17A1 TRP 295 HH2 0.07 -0.12 -0.24 -0.04 7.19 6.86 3h17A1 ALA 296 H 0.14 0.61 -0.11 -0.55 8.40 8.50 3h17A1 ALA 296 HA 0.11 -0.03 0.31 -0.75 4.34 3.97 3h17A1 ALA 296 HB3 0.06 -0.03 0.09 -0.04 1.41 1.49 3h17A1 ALA 297 H 0.08 0.33 -0.89 -0.55 8.40 7.37 3h17A1 ALA 297 HA 0.03 0.03 0.24 -0.75 4.34 3.89 3h17A1 ALA 297 HB3 0.01 0.05 0.04 -0.04 1.41 1.47