============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 5 0.840 20.612 -33.561 -8.307 -99.200 -91.000 PHE 32 1.000 34.221 -27.470 -12.830 -99.200 -91.000 TYR 37 0.840 31.610 -26.512 -7.943 -99.200 -91.000 PHE 42 1.000 45.954 -32.355 -4.373 -99.200 -91.000 HIS 44 0.900 54.397 -33.822 -8.933 -99.200 -91.000 HIS 48 0.900 50.357 -45.541 -2.298 -99.200 -91.000 PHE 57 1.000 40.709 -33.350 -1.905 -99.200 -91.000 HIS 63 0.900 33.279 -33.546 0.243 -99.200 -91.000 TYR 66 0.840 31.995 -27.319 1.155 -99.200 -91.000 PHE 69 1.000 34.331 -34.549 -5.178 -99.200 -91.000 TYR 83 0.840 47.869 -47.142 -17.892 -99.200 -91.000 HIS 89 0.900 50.980 -52.165 -20.920 -99.200 -91.000 HIS 95 0.900 35.626 -51.293 -11.296 -99.200 -91.000 HIS 96 0.900 38.549 -51.170 -8.130 -99.200 -91.000 PHE 101 1.000 35.019 -39.224 -4.235 -99.200 -91.000 TYR 108 0.840 30.081 -35.789 6.841 -99.200 -91.000 PHE 116 1.000 33.593 -38.743 -9.636 -99.200 -91.000 PHE 117 1.000 32.591 -32.334 -15.543 -99.200 -91.000 TYR 121 0.840 45.416 -37.134 -23.451 -99.200 -91.000 HIS 125 0.900 19.575 -45.180 -1.991 -99.200 -91.000 PHE 130 1.000 28.720 -41.582 -7.854 -99.200 -91.000 PHE 131 1.000 27.366 -34.986 -16.135 -99.200 -91.000 TRP 132 1.040 32.399 -42.092 -15.352 -99.200 -91.000 TRP6 132 1.020 33.725 -42.109 -13.391 -99.200 -91.000 HIS 146 0.900 54.436 -32.663 -21.783 -99.200 -91.000 TYR 152 0.840 35.966 -34.011 -21.767 -99.200 -91.000 HIS 172 0.900 28.893 -34.536 -21.643 -99.200 -91.000 TYR 178 0.840 33.824 -27.561 -29.999 -99.200 -91.000 TYR 180 0.840 28.991 -37.829 -32.314 -99.200 -91.000 TRP 182 1.040 38.669 -32.591 -33.202 -99.200 -91.000 TRP6 182 1.020 40.213 -30.959 -33.961 -99.200 -91.000 TYR 192 0.840 40.480 -34.518 -28.423 -99.200 -91.000 TYR 193 0.840 36.859 -41.934 -30.873 -99.200 -91.000 TRP 195 1.040 30.253 -44.391 -21.929 -99.200 -91.000 TRP6 195 1.020 30.490 -44.861 -19.614 -99.200 -91.000 HIS 198 0.900 22.325 -38.586 -16.451 -99.200 -91.000 TYR 208 0.840 19.426 -19.150 -5.860 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h13A1 PRO 240 HA -0.00 -0.03 0.20 -0.51 4.44 4.10 3h13A1 PRO 240 HB2 -0.00 -0.07 0.06 -0.04 2.28 2.23 3h13A1 PRO 240 HB3 -0.00 -0.01 0.01 -0.04 2.02 1.97 3h13A1 PRO 240 HG2 -0.00 -0.01 0.03 -0.04 2.03 2.01 3h13A1 PRO 240 HG3 -0.00 0.00 0.04 -0.04 2.03 2.03 3h13A1 PRO 240 HD2 -0.00 -0.02 0.05 -0.04 3.68 3.67 3h13A1 PRO 240 HD3 -0.00 0.00 0.03 -0.04 3.65 3.64 3h13A1 GLU 241 H -0.01 0.10 0.07 -0.55 8.60 8.22 3h13A1 GLU 241 HA -0.01 -0.03 0.41 -0.75 4.29 3.91 3h13A1 GLU 241 HB2 -0.01 -0.04 0.13 -0.04 2.09 2.14 3h13A1 GLU 241 HB3 -0.01 0.00 0.15 -0.04 1.99 2.10 3h13A1 GLU 241 HG2 -0.01 0.10 -0.30 -0.04 2.34 2.09 3h13A1 GLU 241 HG3 -0.01 -0.02 0.02 -0.04 2.34 2.29 3h13A1 GLU 242 H -0.03 0.07 0.28 -0.55 8.60 8.37 3h13A1 GLU 242 HA -0.04 0.11 0.52 -0.75 4.29 4.13 3h13A1 GLU 242 HB2 -0.08 -0.05 0.18 -0.04 2.09 2.11 3h13A1 GLU 242 HB3 -0.09 0.03 0.06 -0.04 1.99 1.94 3h13A1 GLU 242 HG2 -0.03 0.07 0.09 -0.04 2.34 2.43 3h13A1 GLU 242 HG3 -0.03 -0.01 0.17 -0.04 2.34 2.43 3h13A1 ARG 243 H -0.05 0.30 0.23 -0.55 8.46 8.39 3h13A1 ARG 243 HA -0.05 0.08 0.91 -0.75 4.34 4.52 3h13A1 ARG 243 HB2 -0.01 -0.00 -0.14 -0.04 1.90 1.70 3h13A1 ARG 243 HB3 -0.01 -0.02 0.07 -0.04 1.80 1.81 3h13A1 ARG 243 HG2 0.04 0.19 -0.09 -0.04 1.67 1.78 3h13A1 ARG 243 HG3 0.04 0.06 0.09 -0.04 1.67 1.82 3h13A1 ARG 243 HD2 -0.01 -0.08 -0.04 -0.04 3.22 3.06 3h13A1 ARG 243 HD3 -0.02 -0.03 -0.02 -0.04 3.22 3.11 3h13A1 TYR 244 H 0.09 0.44 0.17 -0.55 8.29 8.44 3h13A1 TYR 244 HA 0.03 0.01 0.50 -0.75 4.56 4.35 3h13A1 TYR 244 HB2 0.02 -0.07 0.15 -0.04 3.06 3.12 3h13A1 TYR 244 HB3 0.03 0.22 0.03 -0.04 2.98 3.22 3h13A1 TYR 244 HD2 0.02 0.10 -0.08 -0.04 7.15 7.15 3h13A1 TYR 244 HE2 0.03 0.06 -0.01 -0.04 6.85 6.90 3h13A1 LYS 245 H 0.16 0.12 0.26 -0.55 8.42 8.40 3h13A1 LYS 245 HA 0.10 0.01 0.52 -0.75 4.32 4.20 3h13A1 LYS 245 HB2 0.08 -0.00 0.19 -0.04 1.87 2.10 3h13A1 LYS 245 HB3 0.09 0.08 0.22 -0.04 1.79 2.15 3h13A1 LYS 245 HG2 0.07 -0.10 -0.16 -0.04 1.46 1.23 3h13A1 LYS 245 HG3 0.08 -0.02 0.04 -0.04 1.46 1.51 3h13A1 LYS 245 HD2 0.05 -0.00 0.03 -0.04 1.69 1.72 3h13A1 LYS 245 HD3 0.05 0.08 0.01 -0.04 1.68 1.77 3h13A1 LYS 245 HE2 0.03 -0.05 -0.04 -0.04 2.99 2.88 3h13A1 LYS 245 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.95 3h13A1 MET 246 H 0.13 0.14 0.12 -0.55 8.47 8.31 3h13A1 MET 246 HA 0.06 0.13 0.80 -0.75 4.52 4.75 3h13A1 MET 246 HB2 0.11 0.07 0.24 -0.04 2.15 2.53 3h13A1 MET 246 HB3 0.07 -0.04 0.09 -0.04 2.03 2.10 3h13A1 MET 246 HG2 0.12 0.08 -0.46 -0.04 2.63 2.32 3h13A1 MET 246 HG3 0.08 0.21 0.09 -0.04 2.56 2.90 3h13A1 MET 246 HE3 0.07 -0.03 -0.08 -0.04 2.10 2.01 3h13A1 LYS 247 H 0.04 0.02 0.07 -0.55 8.42 7.99 3h13A1 LYS 247 HA -0.03 0.24 0.98 -0.75 4.32 4.75 3h13A1 LYS 247 HB2 -0.01 -0.04 -0.03 -0.04 1.87 1.76 3h13A1 LYS 247 HB3 -0.12 0.01 -0.03 -0.04 1.79 1.61 3h13A1 LYS 247 HG2 -0.43 -0.03 0.00 -0.04 1.46 0.96 3h13A1 LYS 247 HG3 -0.11 0.17 -0.03 -0.04 1.46 1.44 3h13A1 LYS 247 HD2 0.43 0.01 -0.05 -0.04 1.69 2.04 3h13A1 LYS 247 HD3 0.14 -0.16 -0.19 -0.04 1.68 1.43 3h13A1 LYS 247 HE2 0.01 0.03 -0.04 -0.04 2.99 2.95 3h13A1 LYS 247 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 3h13A1 SER 248 H 0.01 -0.09 0.12 -0.55 8.46 7.96 3h13A1 SER 248 HA 0.01 0.01 0.37 -0.75 4.49 4.13 3h13A1 SER 248 HB2 0.14 0.19 0.15 -0.04 3.95 4.39 3h13A1 SER 248 HB3 0.08 -0.01 0.14 -0.04 3.93 4.09 3h13A1 LYS 249 H 0.02 0.19 0.11 -0.55 8.42 8.19 3h13A1 LYS 249 HA -0.08 0.08 0.75 -0.75 4.32 4.32 3h13A1 LYS 249 HB2 -0.01 -0.05 0.18 -0.04 1.87 1.95 3h13A1 LYS 249 HB3 -0.03 -0.03 0.06 -0.04 1.79 1.75 3h13A1 LYS 249 HG2 -0.06 0.12 -0.11 -0.04 1.46 1.38 3h13A1 LYS 249 HG3 -0.05 0.05 -0.16 -0.04 1.46 1.26 3h13A1 LYS 249 HD2 -0.03 -0.06 0.01 -0.04 1.69 1.57 3h13A1 LYS 249 HD3 -0.03 -0.03 0.01 -0.04 1.68 1.58 3h13A1 LYS 249 HE2 -0.06 0.05 -0.01 -0.04 2.99 2.94 3h13A1 LYS 249 HE3 -0.07 0.03 -0.00 -0.04 2.99 2.90 3h13A1 PRO 250 HA -0.15 0.15 0.40 -0.51 4.44 4.33 3h13A1 PRO 250 HB2 -0.28 0.01 0.21 -0.04 2.28 2.19 3h13A1 PRO 250 HB3 -0.15 -0.02 0.01 -0.04 2.02 1.83 3h13A1 PRO 250 HG2 -0.93 -0.02 -0.15 -0.04 2.03 0.89 3h13A1 PRO 250 HG3 -0.39 -0.04 -0.01 -0.04 2.03 1.56 3h13A1 PRO 250 HD2 0.03 0.12 0.15 -0.04 3.68 3.94 3h13A1 PRO 250 HD3 -0.05 0.04 0.25 -0.04 3.65 3.85 3h13A1 LEU 251 H -0.37 0.60 0.16 -0.55 8.37 8.21 3h13A1 LEU 251 HA -0.19 0.05 0.33 -0.75 4.35 3.78 3h13A1 LEU 251 HB2 -1.18 -0.03 -0.22 -0.04 1.64 0.17 3h13A1 LEU 251 HB3 -0.62 -0.08 -0.17 -0.04 1.64 0.74 3h13A1 LEU 251 HG -0.22 0.10 -0.00 -0.04 1.64 1.47 3h13A1 LEU 251 HD13 -0.09 -0.02 -0.21 -0.04 0.93 0.57 3h13A1 LEU 251 HD23 -0.07 0.03 -0.18 -0.04 0.89 0.63 3h13A1 GLY 252 H -0.49 0.17 -0.20 -0.55 8.43 7.36 3h13A1 GLY 252 HA2 -0.33 0.07 0.20 -0.51 4.01 3.43 3h13A1 GLY 252 HA3 0.08 0.38 0.54 -0.51 4.01 4.50 3h13A1 ILE 253 H 0.36 0.27 0.22 -0.55 8.25 8.56 3h13A1 ILE 253 HA 0.14 0.18 0.88 -0.75 4.18 4.62 3h13A1 ILE 253 HB 0.65 0.03 0.15 -0.04 1.89 2.68 3h13A1 ILE 253 HG12 0.22 0.03 0.01 -0.04 1.49 1.71 3h13A1 ILE 253 HG13 0.22 -0.02 -0.10 -0.04 1.21 1.27 3h13A1 ILE 253 HG23 0.53 -0.01 -0.17 -0.04 0.93 1.25 3h13A1 ILE 253 HD13 0.20 -0.00 -0.04 -0.04 0.88 0.99 3h13A1 CYS 254 H 0.08 0.65 0.13 -0.55 8.50 8.82 3h13A1 CYS 254 HA -0.44 0.31 0.95 -0.75 4.58 4.64 3h13A1 CYS 254 HB2 -0.48 0.03 -0.18 -0.04 2.97 2.31 3h13A1 CYS 254 HB3 -0.08 -0.05 -0.11 -0.04 2.97 2.68 3h13A1 LEU 255 H -0.38 0.72 0.28 -0.55 8.37 8.44 3h13A1 LEU 255 HA -0.13 0.21 0.88 -0.75 4.35 4.55 3h13A1 LEU 255 HB2 -0.25 0.04 0.06 -0.04 1.64 1.45 3h13A1 LEU 255 HB3 -0.16 0.03 0.23 -0.04 1.64 1.69 3h13A1 LEU 255 HG -0.14 -0.11 -0.28 -0.04 1.64 1.08 3h13A1 LEU 255 HD13 -0.50 0.02 -0.05 -0.04 0.93 0.37 3h13A1 LEU 255 HD23 -0.13 -0.00 -0.10 -0.04 0.89 0.62 3h13A1 ILE 256 H -0.04 0.79 0.42 -0.55 8.25 8.86 3h13A1 ILE 256 HA -0.07 0.25 1.13 -0.75 4.18 4.74 3h13A1 ILE 256 HB -0.05 -0.04 0.10 -0.04 1.89 1.87 3h13A1 ILE 256 HG12 -0.10 0.04 -0.24 -0.04 1.49 1.14 3h13A1 ILE 256 HG13 -0.09 0.13 -0.41 -0.04 1.21 0.79 3h13A1 ILE 256 HG23 -0.02 -0.05 -0.18 -0.04 0.93 0.65 3h13A1 ILE 256 HD13 -0.01 -0.01 -0.28 -0.04 0.88 0.54 3h13A1 ILE 257 H 0.00 0.79 0.33 -0.55 8.25 8.83 3h13A1 ILE 257 HA 0.10 0.21 0.99 -0.75 4.18 4.73 3h13A1 ILE 257 HB 0.04 0.01 0.24 -0.04 1.89 2.13 3h13A1 ILE 257 HG12 0.04 0.02 -0.07 -0.04 1.49 1.44 3h13A1 ILE 257 HG13 0.02 0.00 -0.34 -0.04 1.21 0.84 3h13A1 ILE 257 HG23 0.05 -0.03 -0.14 -0.04 0.93 0.77 3h13A1 ILE 257 HD13 -0.01 -0.00 -0.08 -0.04 0.88 0.76 3h13A1 ASP 258 H 0.04 0.79 0.26 -0.55 8.40 8.95 3h13A1 ASP 258 HA 0.05 0.11 1.10 -0.75 4.63 5.14 3h13A1 ASP 258 HB2 0.02 0.03 0.04 -0.04 2.71 2.76 3h13A1 ASP 258 HB3 0.02 0.14 0.24 -0.04 2.70 3.06 3h13A1 CYS 259 H 0.07 0.83 0.34 -0.55 8.50 9.19 3h13A1 CYS 259 HA 0.07 -0.02 0.81 -0.75 4.58 4.68 3h13A1 CYS 259 HB2 0.08 0.10 0.26 -0.04 2.97 3.36 3h13A1 CYS 259 HB3 0.08 0.03 0.09 -0.04 2.97 3.14 3h13A1 ILE 260 H 0.07 -0.12 -0.14 -0.55 8.25 7.51 3h13A1 ILE 260 HA 0.05 0.32 1.04 -0.75 4.18 4.84 3h13A1 ILE 260 HB 0.07 -0.17 0.02 -0.04 1.89 1.77 3h13A1 ILE 260 HG12 -0.04 0.10 -0.06 -0.04 1.49 1.45 3h13A1 ILE 260 HG13 0.06 -0.06 -0.35 -0.04 1.21 0.81 3h13A1 ILE 260 HG23 -0.01 0.04 -0.16 -0.04 0.93 0.76 3h13A1 ILE 260 HD13 0.09 -0.01 -0.30 -0.04 0.88 0.61 3h13A1 GLY 261 H 0.06 -0.17 0.07 -0.55 8.43 7.85 3h13A1 GLY 261 HA2 0.05 -0.02 0.30 -0.51 4.01 3.84 3h13A1 GLY 261 HA3 0.11 0.32 0.84 -0.51 4.01 4.77 3h13A1 ASN 262 H 0.05 -0.09 0.02 -0.55 8.53 7.97 3h13A1 ASN 262 HA -0.01 0.42 1.02 -0.75 4.76 5.43 3h13A1 ASN 262 HB2 0.01 -0.01 -0.73 -0.04 2.88 2.11 3h13A1 ASN 262 HB3 -0.01 0.38 -0.39 -0.04 2.79 2.72 3h13A1 ASN 262 HD21 0.13 -0.13 -0.12 -0.04 7.03 6.87 3h13A1 ASN 262 HD22 0.02 0.31 -0.20 -0.04 7.74 7.83 3h13A1 GLU 263 H 0.02 0.01 -0.04 -0.55 8.60 8.05 3h13A1 GLU 263 HA 0.00 0.10 0.35 -0.75 4.29 3.98 3h13A1 GLU 263 HB2 0.02 -0.01 0.09 -0.04 2.09 2.14 3h13A1 GLU 263 HB3 -0.00 0.02 0.02 -0.04 1.99 1.99 3h13A1 GLU 263 HG2 -0.03 0.04 0.07 -0.04 2.34 2.37 3h13A1 GLU 263 HG3 -0.01 0.09 -0.06 -0.04 2.34 2.32 3h13A1 THR 264 H -0.01 0.10 -0.46 -0.55 8.28 7.36 3h13A1 THR 264 HA -0.03 0.10 0.20 -0.75 4.39 3.91 3h13A1 THR 264 HB -0.05 0.03 -0.18 -0.04 4.32 4.08 3h13A1 THR 264 HG23 -0.04 0.01 0.09 -0.04 1.22 1.24 3h13A1 GLU 265 H -0.03 -0.01 -0.40 -0.55 8.60 7.61 3h13A1 GLU 265 HA -0.04 -0.07 0.25 -0.75 4.29 3.67 3h13A1 GLU 265 HB2 -0.05 0.30 0.11 -0.04 2.09 2.42 3h13A1 GLU 265 HB3 -0.04 -0.03 0.13 -0.04 1.99 2.01 3h13A1 GLU 265 HG2 -0.03 0.00 -0.39 -0.04 2.34 1.88 3h13A1 GLU 265 HG3 -0.03 0.08 -0.09 -0.04 2.34 2.26 3h13A1 LEU 266 H -0.07 0.43 -0.50 -0.55 8.37 7.69 3h13A1 LEU 266 HA -0.11 0.15 0.36 -0.75 4.35 4.00 3h13A1 LEU 266 HB2 -0.11 -0.01 0.09 -0.04 1.64 1.57 3h13A1 LEU 266 HB3 -0.16 0.02 -0.06 -0.04 1.64 1.40 3h13A1 LEU 266 HG -0.09 0.09 -0.02 -0.04 1.64 1.59 3h13A1 LEU 266 HD13 -0.11 0.01 -0.15 -0.04 0.93 0.64 3h13A1 LEU 266 HD23 -0.12 0.01 -0.01 -0.04 0.89 0.73 3h13A1 LEU 267 H -0.09 0.09 -0.12 -0.55 8.37 7.71 3h13A1 LEU 267 HA -0.23 0.18 0.62 -0.75 4.35 4.17 3h13A1 LEU 267 HB2 -0.02 -0.05 -0.03 -0.04 1.64 1.50 3h13A1 LEU 267 HB3 0.17 0.07 -0.05 -0.04 1.64 1.78 3h13A1 LEU 267 HG -0.15 -0.03 -0.06 -0.04 1.64 1.35 3h13A1 LEU 267 HD13 -0.11 0.00 -0.08 -0.04 0.93 0.70 3h13A1 LEU 267 HD23 -0.39 0.03 -0.18 -0.04 0.89 0.32 3h13A1 ARG 268 H -0.04 -0.05 -0.37 -0.55 8.46 7.45 3h13A1 ARG 268 HA 0.02 0.09 0.35 -0.75 4.34 4.05 3h13A1 ARG 268 HB2 -0.03 -0.07 0.01 -0.04 1.90 1.76 3h13A1 ARG 268 HB3 -0.04 0.00 0.08 -0.04 1.80 1.80 3h13A1 ARG 268 HG2 -0.02 0.08 -0.29 -0.04 1.67 1.40 3h13A1 ARG 268 HG3 -0.02 0.01 -0.05 -0.04 1.67 1.57 3h13A1 ARG 268 HD2 -0.04 -0.10 -0.03 -0.04 3.22 3.01 3h13A1 ARG 268 HD3 -0.03 0.06 -0.06 -0.04 3.22 3.15 3h13A1 ASP 269 H -0.06 0.68 -0.16 -0.55 8.40 8.31 3h13A1 ASP 269 HA -0.04 0.05 0.39 -0.75 4.63 4.27 3h13A1 ASP 269 HB2 -0.09 0.11 0.12 -0.04 2.71 2.81 3h13A1 ASP 269 HB3 -0.07 -0.00 -0.00 -0.04 2.70 2.58 3h13A1 THR 270 H -0.17 0.32 -0.23 -0.55 8.28 7.65 3h13A1 THR 270 HA -0.21 0.10 0.38 -0.75 4.39 3.90 3h13A1 THR 270 HB -0.52 -0.12 0.19 -0.04 4.32 3.83 3h13A1 THR 270 HG23 -0.70 0.00 -0.23 -0.04 1.22 0.26 3h13A1 PHE 271 H -0.17 0.58 -0.11 -0.55 8.34 8.08 3h13A1 PHE 271 HA -0.05 0.09 0.42 -0.75 4.62 4.33 3h13A1 PHE 271 HB2 -0.15 0.12 0.03 -0.04 3.15 3.10 3h13A1 PHE 271 HB3 -0.18 -0.04 -0.10 -0.04 3.06 2.70 3h13A1 PHE 271 HD2 -0.37 0.06 -0.09 -0.04 7.28 6.84 3h13A1 PHE 271 HE2 -0.37 -0.03 -0.12 -0.04 7.38 6.81 3h13A1 PHE 271 HZ -0.78 -0.03 -0.13 -0.04 7.32 6.34 3h13A1 THR 272 H 0.04 0.45 -0.31 -0.55 8.28 7.91 3h13A1 THR 272 HA 0.08 0.19 0.50 -0.75 4.39 4.41 3h13A1 THR 272 HB -0.01 0.05 0.17 -0.04 4.32 4.49 3h13A1 THR 272 HG23 0.00 -0.01 -0.05 -0.04 1.22 1.12 3h13A1 SER 273 H -0.03 0.53 -0.18 -0.55 8.46 8.23 3h13A1 SER 273 HA -0.02 -0.01 0.39 -0.75 4.49 4.10 3h13A1 SER 273 HB2 -0.05 -0.07 0.14 -0.04 3.95 3.92 3h13A1 SER 273 HB3 -0.08 0.15 0.18 -0.04 3.93 4.13 3h13A1 LEU 274 H 0.04 0.21 -0.34 -0.55 8.37 7.74 3h13A1 LEU 274 HA 0.01 0.11 0.62 -0.75 4.35 4.35 3h13A1 LEU 274 HB2 0.32 -0.06 0.04 -0.04 1.64 1.90 3h13A1 LEU 274 HB3 0.18 0.07 0.09 -0.04 1.64 1.93 3h13A1 LEU 274 HG -0.15 0.20 -0.05 -0.04 1.64 1.60 3h13A1 LEU 274 HD13 -0.10 -0.05 -0.07 -0.04 0.93 0.67 3h13A1 LEU 274 HD23 -0.06 0.08 0.01 -0.04 0.89 0.89 3h13A1 GLY 275 H 0.07 0.36 -0.29 -0.55 8.43 8.01 3h13A1 GLY 275 HA2 -0.04 0.04 0.28 -0.51 4.01 3.78 3h13A1 GLY 275 HA3 -0.09 0.16 0.90 -0.51 4.01 4.46 3h13A1 TYR 276 H 0.22 0.53 0.19 -0.55 8.29 8.68 3h13A1 TYR 276 HA -0.07 0.09 0.85 -0.75 4.56 4.68 3h13A1 TYR 276 HB2 0.05 -0.01 -0.20 -0.04 3.06 2.86 3h13A1 TYR 276 HB3 -0.06 -0.05 -0.28 -0.04 2.98 2.55 3h13A1 TYR 276 HD2 0.02 0.05 -0.48 -0.04 7.15 6.70 3h13A1 TYR 276 HE2 0.01 0.06 -0.36 -0.04 6.85 6.51 3h13A1 GLU 277 H 0.02 0.63 0.30 -0.55 8.60 9.00 3h13A1 GLU 277 HA 0.02 0.12 0.73 -0.75 4.29 4.40 3h13A1 GLU 277 HB2 -0.04 0.05 0.06 -0.04 2.09 2.12 3h13A1 GLU 277 HB3 -0.02 -0.00 0.19 -0.04 1.99 2.12 3h13A1 GLU 277 HG2 0.08 -0.02 -0.32 -0.04 2.34 2.04 3h13A1 GLU 277 HG3 0.03 0.02 -0.02 -0.04 2.34 2.32 3h13A1 VAL 278 H 0.04 0.20 0.10 -0.55 8.24 8.04 3h13A1 VAL 278 HA 0.03 0.28 0.88 -0.75 4.13 4.56 3h13A1 VAL 278 HB 0.01 -0.01 0.09 -0.04 2.12 2.18 3h13A1 VAL 278 HG13 -0.03 -0.04 -0.24 -0.04 0.97 0.62 3h13A1 VAL 278 HG23 0.05 0.05 -0.14 -0.04 0.95 0.87 3h13A1 GLN 279 H 0.02 0.64 0.34 -0.55 8.47 8.93 3h13A1 GLN 279 HA -0.07 0.12 0.82 -0.75 4.36 4.47 3h13A1 GLN 279 HB2 0.26 -0.01 0.14 -0.04 2.15 2.50 3h13A1 GLN 279 HB3 0.19 -0.01 0.02 -0.04 2.02 2.18 3h13A1 GLN 279 HG2 0.10 0.07 -0.04 -0.04 2.40 2.49 3h13A1 GLN 279 HG3 0.21 0.03 -0.32 -0.04 2.39 2.26 3h13A1 GLN 279 HE21 0.13 -0.00 -0.04 -0.04 6.97 7.01 3h13A1 GLN 279 HE22 0.26 0.03 -0.08 -0.04 7.69 7.86 3h13A1 LYS 280 H -0.28 0.22 0.15 -0.55 8.42 7.96 3h13A1 LYS 280 HA -0.09 0.37 1.18 -0.75 4.32 5.03 3h13A1 LYS 280 HB2 -0.09 -0.05 -0.05 -0.04 1.87 1.65 3h13A1 LYS 280 HB3 -0.15 0.01 0.07 -0.04 1.79 1.69 3h13A1 LYS 280 HG2 -0.09 0.01 -0.30 -0.04 1.46 1.05 3h13A1 LYS 280 HG3 -0.04 0.01 -0.02 -0.04 1.46 1.36 3h13A1 LYS 280 HD2 -0.04 -0.07 -0.07 -0.04 1.69 1.46 3h13A1 LYS 280 HD3 -0.06 0.06 -0.07 -0.04 1.68 1.57 3h13A1 LYS 280 HE2 -0.03 0.07 -0.10 -0.04 2.99 2.90 3h13A1 LYS 280 HE3 -0.02 -0.09 -0.07 -0.04 2.99 2.78 3h13A1 PHE 281 H 0.10 0.68 0.49 -0.55 8.34 9.05 3h13A1 PHE 281 HA -0.07 0.17 0.91 -0.75 4.62 4.88 3h13A1 PHE 281 HB2 -0.05 -0.06 0.07 -0.04 3.15 3.07 3h13A1 PHE 281 HB3 -0.05 0.03 0.04 -0.04 3.06 3.03 3h13A1 PHE 281 HD2 -0.05 0.04 -0.07 -0.04 7.28 7.15 3h13A1 PHE 281 HE2 -0.02 0.03 -0.10 -0.04 7.38 7.24 3h13A1 PHE 281 HZ 0.32 0.03 -0.08 -0.04 7.32 7.56 3h13A1 LEU 282 H -0.13 0.27 0.18 -0.55 8.37 8.14 3h13A1 LEU 282 HA -0.03 0.31 0.97 -0.75 4.35 4.85 3h13A1 LEU 282 HB2 -0.35 0.04 0.01 -0.04 1.64 1.29 3h13A1 LEU 282 HB3 -0.05 0.00 0.08 -0.04 1.64 1.63 3h13A1 LEU 282 HG -0.07 -0.04 -0.25 -0.04 1.64 1.24 3h13A1 LEU 282 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 3h13A1 LEU 282 HD23 0.00 0.01 0.01 -0.04 0.89 0.88 3h13A1 HIS 283 H 0.06 0.22 0.19 -0.55 8.41 8.33 3h13A1 HIS 283 HA 0.05 0.05 0.39 -0.75 4.63 4.36 3h13A1 HIS 283 HB2 0.04 0.00 0.16 -0.04 3.26 3.43 3h13A1 HIS 283 HB3 0.04 0.03 0.05 -0.04 3.20 3.28 3h13A1 HIS 283 HD2 0.04 0.00 -0.10 -0.04 6.97 6.86 3h13A1 HIS 283 HE1 0.06 -0.01 0.02 -0.04 7.75 7.77 3h13A1 LEU 284 H 0.09 0.05 -0.10 -0.55 8.37 7.86 3h13A1 LEU 284 HA 0.12 0.23 0.94 -0.75 4.35 4.89 3h13A1 LEU 284 HB2 0.06 -0.07 -0.05 -0.04 1.64 1.53 3h13A1 LEU 284 HB3 0.05 -0.04 -0.09 -0.04 1.64 1.51 3h13A1 LEU 284 HG 0.05 -0.03 -0.36 -0.04 1.64 1.25 3h13A1 LEU 284 HD13 -0.04 0.01 -0.24 -0.04 0.93 0.62 3h13A1 LEU 284 HD23 0.06 0.04 -0.12 -0.04 0.89 0.83 3h13A1 SER 285 H 0.10 0.16 0.19 -0.55 8.46 8.36 3h13A1 SER 285 HA 0.08 0.06 0.70 -0.75 4.49 4.58 3h13A1 SER 285 HB2 0.08 0.00 0.20 -0.04 3.95 4.19 3h13A1 SER 285 HB3 0.08 0.18 0.11 -0.04 3.93 4.26 3h13A1 MET 286 H 0.09 0.26 0.16 -0.55 8.47 8.43 3h13A1 MET 286 HA 0.09 0.09 0.30 -0.75 4.52 4.25 3h13A1 MET 286 HB2 0.09 -0.02 0.14 -0.04 2.15 2.32 3h13A1 MET 286 HB3 0.10 0.07 -0.02 -0.04 2.03 2.13 3h13A1 MET 286 HG2 0.12 0.06 0.08 -0.04 2.63 2.85 3h13A1 MET 286 HG3 0.12 0.14 0.00 -0.04 2.56 2.79 3h13A1 MET 286 HE3 0.08 0.03 -0.14 -0.04 2.10 2.03 3h13A1 HIS 287 H 0.17 0.08 -0.12 -0.55 8.41 8.00 3h13A1 HIS 287 HA 0.04 0.13 0.38 -0.75 4.63 4.42 3h13A1 HIS 287 HB2 0.03 0.05 0.07 -0.04 3.26 3.38 3h13A1 HIS 287 HB3 0.03 -0.06 0.06 -0.04 3.20 3.18 3h13A1 HIS 287 HD2 0.03 -0.01 -0.10 -0.04 6.97 6.84 3h13A1 HIS 287 HE1 0.01 0.05 -0.02 -0.04 7.75 7.75 3h13A1 GLY 288 H 0.10 -0.05 -0.32 -0.55 8.43 7.62 3h13A1 GLY 288 HA2 -0.07 0.11 0.42 -0.51 4.01 3.96 3h13A1 GLY 288 HA3 0.03 -0.02 0.30 -0.51 4.01 3.81 3h13A1 ILE 289 H 0.04 0.56 -0.25 -0.55 8.25 8.04 3h13A1 ILE 289 HA -0.01 0.01 0.32 -0.75 4.18 3.75 3h13A1 ILE 289 HB 0.06 0.15 0.12 -0.04 1.89 2.18 3h13A1 ILE 289 HG12 0.05 -0.03 -0.07 -0.04 1.49 1.39 3h13A1 ILE 289 HG13 0.05 0.09 -0.14 -0.04 1.21 1.17 3h13A1 ILE 289 HG23 0.08 -0.00 -0.20 -0.04 0.93 0.77 3h13A1 ILE 289 HD13 0.08 -0.03 -0.16 -0.04 0.88 0.73 3h13A1 SER 290 H 0.02 0.50 -0.11 -0.55 8.46 8.32 3h13A1 SER 290 HA 0.05 0.04 0.40 -0.75 4.49 4.22 3h13A1 SER 290 HB2 -0.02 0.05 0.09 -0.04 3.95 4.03 3h13A1 SER 290 HB3 0.02 0.02 -0.01 -0.04 3.93 3.91 3h13A1 GLN 291 H -0.14 0.50 -0.19 -0.55 8.47 8.10 3h13A1 GLN 291 HA -0.09 0.04 0.38 -0.75 4.36 3.93 3h13A1 GLN 291 HB2 -0.29 -0.00 0.11 -0.04 2.15 1.92 3h13A1 GLN 291 HB3 -0.14 0.07 0.19 -0.04 2.02 2.10 3h13A1 GLN 291 HG2 -0.07 -0.03 -0.04 -0.04 2.40 2.22 3h13A1 GLN 291 HG3 -0.06 0.01 -0.25 -0.04 2.39 2.05 3h13A1 GLN 291 HE21 -0.02 0.01 -0.02 -0.04 6.97 6.90 3h13A1 GLN 291 HE22 -0.02 0.00 -0.03 -0.04 7.69 7.60 3h13A1 ILE 292 H -0.08 0.53 -0.12 -0.55 8.25 8.04 3h13A1 ILE 292 HA 0.00 0.04 0.45 -0.75 4.18 3.92 3h13A1 ILE 292 HB -0.19 0.07 0.12 -0.04 1.89 1.85 3h13A1 ILE 292 HG12 -0.57 0.01 -0.01 -0.04 1.49 0.88 3h13A1 ILE 292 HG13 -0.19 -0.04 -0.03 -0.04 1.21 0.91 3h13A1 ILE 292 HG23 -0.44 -0.01 -0.16 -0.04 0.93 0.28 3h13A1 ILE 292 HD13 -0.46 -0.01 -0.05 -0.04 0.88 0.32 3h13A1 LEU 293 H 0.06 0.71 -0.04 -0.55 8.37 8.55 3h13A1 LEU 293 HA 0.31 -0.00 0.34 -0.75 4.35 4.24 3h13A1 LEU 293 HB2 0.15 0.03 0.12 -0.04 1.64 1.89 3h13A1 LEU 293 HB3 0.34 0.03 -0.04 -0.04 1.64 1.93 3h13A1 LEU 293 HG 0.13 0.10 0.01 -0.04 1.64 1.84 3h13A1 LEU 293 HD13 0.23 -0.03 -0.13 -0.04 0.93 0.95 3h13A1 LEU 293 HD23 0.34 -0.01 -0.08 -0.04 0.89 1.10 3h13A1 GLY 294 H 0.04 0.64 -0.20 -0.55 8.43 8.37 3h13A1 GLY 294 HA2 -0.06 0.04 0.36 -0.51 4.01 3.84 3h13A1 GLY 294 HA3 -0.02 0.05 0.30 -0.51 4.01 3.83 3h13A1 GLN 295 H 0.05 0.40 -0.22 -0.55 8.47 8.15 3h13A1 GLN 295 HA -0.06 0.05 0.51 -0.75 4.36 4.10 3h13A1 GLN 295 HB2 0.06 0.09 0.16 -0.04 2.15 2.42 3h13A1 GLN 295 HB3 -0.12 -0.06 0.01 -0.04 2.02 1.81 3h13A1 GLN 295 HG2 -0.05 -0.04 0.02 -0.04 2.40 2.29 3h13A1 GLN 295 HG3 -0.02 0.13 0.06 -0.04 2.39 2.52 3h13A1 GLN 295 HE21 -0.01 -0.06 -0.05 -0.04 6.97 6.81 3h13A1 GLN 295 HE22 -0.02 -0.00 -0.03 -0.04 7.69 7.59 3h13A1 PHE 296 H 0.37 0.51 -0.11 -0.55 8.34 8.56 3h13A1 PHE 296 HA 0.09 0.02 0.56 -0.75 4.62 4.53 3h13A1 PHE 296 HB2 0.27 0.07 0.11 -0.04 3.15 3.56 3h13A1 PHE 296 HB3 0.29 -0.01 -0.00 -0.04 3.06 3.30 3h13A1 PHE 296 HD2 0.18 0.20 0.02 -0.04 7.28 7.64 3h13A1 PHE 296 HE2 0.11 -0.03 -0.05 -0.04 7.38 7.37 3h13A1 PHE 296 HZ 0.38 -0.04 -0.05 -0.04 7.32 7.58 3h13A1 ALA 297 H -0.01 0.47 -0.19 -0.55 8.40 8.13 3h13A1 ALA 297 HA -0.28 0.03 0.43 -0.75 4.34 3.77 3h13A1 ALA 297 HB3 -0.66 0.04 0.03 -0.04 1.41 0.78 3h13A1 CYS 298 H -0.08 0.20 -0.45 -0.55 8.50 7.62 3h13A1 CYS 298 HA -0.13 0.16 0.63 -0.75 4.58 4.48 3h13A1 CYS 298 HB2 -0.11 0.07 0.08 -0.04 2.97 2.96 3h13A1 CYS 298 HB3 -0.13 -0.11 0.08 -0.04 2.97 2.77 3h13A1 MET 299 H -0.11 0.25 -0.24 -0.55 8.47 7.82 3h13A1 MET 299 HA -0.23 0.05 0.47 -0.75 4.52 4.06 3h13A1 MET 299 HB2 -0.59 0.06 0.11 -0.04 2.15 1.68 3h13A1 MET 299 HB3 -0.32 -0.16 0.08 -0.04 2.03 1.59 3h13A1 MET 299 HG2 -0.30 -0.04 0.06 -0.04 2.63 2.31 3h13A1 MET 299 HG3 -0.27 0.25 0.24 -0.04 2.56 2.74 3h13A1 MET 299 HE3 -0.88 -0.02 -0.09 -0.04 2.10 1.07 3h13A1 PRO 300 HA -0.85 0.16 0.62 -0.51 4.44 3.86 3h13A1 PRO 300 HB2 -0.03 -0.00 0.08 -0.04 2.28 2.29 3h13A1 PRO 300 HB3 -0.31 0.07 0.15 -0.04 2.02 1.89 3h13A1 PRO 300 HG2 -0.11 -0.02 0.07 -0.04 2.03 1.92 3h13A1 PRO 300 HG3 -0.12 0.03 0.09 -0.04 2.03 1.99 3h13A1 PRO 300 HD2 -0.18 0.01 0.27 -0.04 3.68 3.74 3h13A1 PRO 300 HD3 -0.22 0.28 0.25 -0.04 3.65 3.92 3h13A1 GLU 301 H -0.21 0.11 -0.17 -0.55 8.60 7.78 3h13A1 GLU 301 HA -0.19 0.10 0.42 -0.75 4.29 3.87 3h13A1 GLU 301 HB2 -0.38 0.05 -0.02 -0.04 2.09 1.70 3h13A1 GLU 301 HB3 -0.15 0.01 0.07 -0.04 1.99 1.88 3h13A1 GLU 301 HG2 -0.22 0.02 -0.05 -0.04 2.34 2.05 3h13A1 GLU 301 HG3 -0.01 0.02 -0.02 -0.04 2.34 2.28 3h13A1 HIS 302 H -0.16 0.29 -0.60 -0.55 8.41 7.39 3h13A1 HIS 302 HA 0.08 0.00 0.34 -0.75 4.63 4.29 3h13A1 HIS 302 HB2 0.15 0.02 -0.08 -0.04 3.26 3.32 3h13A1 HIS 302 HB3 0.13 0.13 -0.20 -0.04 3.20 3.21 3h13A1 HIS 302 HD2 -0.05 0.16 -0.07 -0.04 6.97 6.96 3h13A1 HIS 302 HE1 0.20 -0.13 0.01 -0.04 7.75 7.78 3h13A1 ARG 303 H 0.34 0.27 -0.29 -0.55 8.46 8.23 3h13A1 ARG 303 HA -0.07 0.16 0.39 -0.75 4.34 4.06 3h13A1 ARG 303 HB2 -0.29 -0.05 0.18 -0.04 1.90 1.70 3h13A1 ARG 303 HB3 0.05 0.04 0.12 -0.04 1.80 1.97 3h13A1 ARG 303 HG2 -0.16 0.05 0.05 -0.04 1.67 1.56 3h13A1 ARG 303 HG3 -0.35 -0.07 0.04 -0.04 1.67 1.25 3h13A1 ARG 303 HD2 -0.02 -0.01 -0.06 -0.04 3.22 3.10 3h13A1 ARG 303 HD3 -0.07 0.01 -0.21 -0.04 3.22 2.91 3h13A1 ASP 304 H -0.26 0.26 -0.50 -0.55 8.40 7.35 3h13A1 ASP 304 HA -0.05 0.11 0.72 -0.75 4.63 4.65 3h13A1 ASP 304 HB2 -0.37 0.07 0.02 -0.04 2.71 2.39 3h13A1 ASP 304 HB3 -0.06 -0.07 0.14 -0.04 2.70 2.67 3h13A1 TYR 305 H -0.03 0.77 -0.16 -0.55 8.29 8.32 3h13A1 TYR 305 HA 0.03 0.11 0.88 -0.75 4.56 4.83 3h13A1 TYR 305 HB2 0.17 0.06 0.12 -0.04 3.06 3.37 3h13A1 TYR 305 HB3 0.09 0.03 0.04 -0.04 2.98 3.11 3h13A1 TYR 305 HD2 0.13 0.07 -0.24 -0.04 7.15 7.07 3h13A1 TYR 305 HE2 0.02 -0.05 -0.15 -0.04 6.85 6.63 3h13A1 ASP 306 H 0.13 0.23 0.24 -0.55 8.40 8.46 3h13A1 ASP 306 HA 0.09 0.19 0.77 -0.75 4.63 4.93 3h13A1 ASP 306 HB2 0.04 -0.02 0.23 -0.04 2.71 2.92 3h13A1 ASP 306 HB3 0.07 0.36 0.28 -0.04 2.70 3.36 3h13A1 SER 307 H 0.15 0.30 0.17 -0.55 8.46 8.54 3h13A1 SER 307 HA 0.06 0.19 0.56 -0.75 4.49 4.55 3h13A1 SER 307 HB2 0.04 -0.01 0.12 -0.04 3.95 4.06 3h13A1 SER 307 HB3 0.04 0.08 -0.20 -0.04 3.93 3.80 3h13A1 PHE 308 H 0.06 0.61 0.33 -0.55 8.34 8.79 3h13A1 PHE 308 HA 0.04 0.13 0.83 -0.75 4.62 4.87 3h13A1 PHE 308 HB2 -0.10 0.08 -0.10 -0.04 3.15 2.99 3h13A1 PHE 308 HB3 -0.18 0.02 0.09 -0.04 3.06 2.94 3h13A1 PHE 308 HD2 -0.18 -0.01 -0.01 -0.04 7.28 7.04 3h13A1 PHE 308 HE2 -0.58 -0.09 -0.14 -0.04 7.38 6.54 3h13A1 PHE 308 HZ -0.17 -0.10 -0.11 -0.04 7.32 6.89 3h13A1 VAL 309 H -0.75 0.63 0.33 -0.55 8.24 7.90 3h13A1 VAL 309 HA -0.82 0.28 1.10 -0.75 4.13 3.94 3h13A1 VAL 309 HB -1.04 -0.04 0.06 -0.04 2.12 1.05 3h13A1 VAL 309 HG13 -1.12 -0.03 -0.24 -0.04 0.97 -0.46 3h13A1 VAL 309 HG23 -0.86 0.00 -0.22 -0.04 0.95 -0.17 3h13A1 CYS 310 H -0.90 0.84 0.40 -0.55 8.50 8.29 3h13A1 CYS 310 HA -0.56 0.28 0.98 -0.75 4.58 4.53 3h13A1 CYS 310 HB2 -0.86 0.05 -0.08 -0.04 2.97 2.05 3h13A1 CYS 310 HB3 -1.06 -0.02 0.10 -0.04 2.97 1.95 3h13A1 VAL 311 H -0.21 0.79 0.38 -0.55 8.24 8.65 3h13A1 VAL 311 HA 0.01 0.34 1.05 -0.75 4.13 4.78 3h13A1 VAL 311 HB -0.07 -0.08 0.13 -0.04 2.12 2.07 3h13A1 VAL 311 HG13 0.02 -0.03 -0.11 -0.04 0.97 0.82 3h13A1 VAL 311 HG23 -0.06 0.00 -0.17 -0.04 0.95 0.68 3h13A1 LEU 312 H 0.02 0.63 0.40 -0.55 8.37 8.88 3h13A1 LEU 312 HA 0.03 0.25 1.06 -0.75 4.35 4.94 3h13A1 LEU 312 HB2 0.04 0.06 -0.12 -0.04 1.64 1.57 3h13A1 LEU 312 HB3 0.01 -0.01 0.08 -0.04 1.64 1.68 3h13A1 LEU 312 HG 0.04 -0.05 -0.25 -0.04 1.64 1.34 3h13A1 LEU 312 HD13 0.06 0.00 -0.03 -0.04 0.93 0.93 3h13A1 LEU 312 HD23 0.07 -0.00 -0.12 -0.04 0.89 0.80 3h13A1 VAL 313 H 0.06 0.68 0.43 -0.55 8.24 8.85 3h13A1 VAL 313 HA 0.10 0.31 1.09 -0.75 4.13 4.88 3h13A1 VAL 313 HB 0.08 -0.22 0.34 -0.04 2.12 2.28 3h13A1 VAL 313 HG13 0.19 -0.00 -0.02 -0.04 0.97 1.11 3h13A1 VAL 313 HG23 0.07 0.01 -0.11 -0.04 0.95 0.87 3h13A1 SER 314 H 0.13 0.79 0.37 -0.55 8.46 9.20 3h13A1 SER 314 HA 0.11 0.02 0.65 -0.75 4.49 4.52 3h13A1 SER 314 HB2 0.07 0.03 -0.19 -0.04 3.95 3.82 3h13A1 SER 314 HB3 0.05 0.01 -0.09 -0.04 3.93 3.85 3h13A1 ARG 315 H 0.09 0.21 0.22 -0.55 8.46 8.43 3h13A1 ARG 315 HA 0.14 0.09 0.86 -0.75 4.34 4.67 3h13A1 ARG 315 HB2 0.15 0.06 0.15 -0.04 1.90 2.22 3h13A1 ARG 315 HB3 0.14 0.08 0.16 -0.04 1.80 2.14 3h13A1 ARG 315 HG2 0.07 -0.01 0.08 -0.04 1.67 1.78 3h13A1 ARG 315 HG3 0.05 -0.07 0.07 -0.04 1.67 1.68 3h13A1 ARG 315 HD2 0.08 0.07 0.03 -0.04 3.22 3.36 3h13A1 ARG 315 HD3 0.09 -0.00 0.02 -0.04 3.22 3.29 3h13A1 GLY 316 H -0.15 0.80 0.45 -0.55 8.43 8.98 3h13A1 GLY 316 HA2 -1.74 -0.08 0.39 -0.51 4.01 2.07 3h13A1 GLY 316 HA3 -0.44 0.23 0.52 -0.51 4.01 3.81 3h13A1 GLY 317 H -0.36 0.24 0.00 -0.55 8.43 7.77 3h13A1 GLY 317 HA2 -0.01 0.16 0.87 -0.51 4.01 4.52 3h13A1 GLY 317 HA3 0.03 0.06 0.30 -0.51 4.01 3.90 3h13A1 SER 318 H -0.01 0.17 0.13 -0.55 8.46 8.20 3h13A1 SER 318 HA -0.06 0.07 0.54 -0.75 4.49 4.28 3h13A1 SER 318 HB2 -0.10 0.04 0.05 -0.04 3.95 3.90 3h13A1 SER 318 HB3 -0.06 0.02 0.11 -0.04 3.93 3.96 3h13A1 GLN 319 H -0.05 0.16 0.15 -0.55 8.47 8.18 3h13A1 GLN 319 HA 0.01 0.02 0.32 -0.75 4.36 3.95 3h13A1 GLN 319 HB2 -0.04 0.27 0.08 -0.04 2.15 2.41 3h13A1 GLN 319 HB3 -0.04 -0.10 0.21 -0.04 2.02 2.05 3h13A1 GLN 319 HG2 -0.20 0.02 -0.01 -0.04 2.40 2.17 3h13A1 GLN 319 HG3 -0.13 -0.14 -0.48 -0.04 2.39 1.60 3h13A1 GLN 319 HE21 -0.18 0.03 -0.04 -0.04 6.97 6.75 3h13A1 GLN 319 HE22 -0.28 -0.00 0.04 -0.04 7.69 7.41 3h13A1 SER 320 H -0.04 0.42 -0.40 -0.55 8.46 7.90 3h13A1 SER 320 HA 0.01 0.18 0.49 -0.75 4.49 4.42 3h13A1 SER 320 HB2 0.03 -0.01 -0.56 -0.04 3.95 3.37 3h13A1 SER 320 HB3 0.01 0.12 -0.45 -0.04 3.93 3.57 3h13A1 VAL 321 H 0.02 0.56 0.16 -0.55 8.24 8.43 3h13A1 VAL 321 HA -0.19 0.24 1.03 -0.75 4.13 4.45 3h13A1 VAL 321 HB 0.02 -0.08 0.02 -0.04 2.12 2.04 3h13A1 VAL 321 HG13 0.01 0.01 -0.26 -0.04 0.97 0.69 3h13A1 VAL 321 HG23 0.07 0.02 -0.04 -0.04 0.95 0.96 3h13A1 TYR 322 H -0.10 0.79 0.35 -0.55 8.29 8.78 3h13A1 TYR 322 HA 0.03 0.06 0.79 -0.75 4.56 4.69 3h13A1 TYR 322 HB2 0.02 0.20 -0.04 -0.04 3.06 3.19 3h13A1 TYR 322 HB3 0.00 0.03 0.03 -0.04 2.98 3.00 3h13A1 TYR 322 HD2 0.01 -0.01 -0.30 -0.04 7.15 6.80 3h13A1 TYR 322 HE2 0.01 -0.04 -0.26 -0.04 6.85 6.52 3h13A1 GLY 323 H 0.10 0.05 0.01 -0.55 8.43 8.05 3h13A1 GLY 323 HA2 0.09 -0.00 0.36 -0.51 4.01 3.95 3h13A1 GLY 323 HA3 0.10 0.02 0.45 -0.51 4.01 4.06 3h13A1 VAL 324 H 0.09 0.32 0.26 -0.55 8.24 8.36 3h13A1 VAL 324 HA 0.07 0.21 0.71 -0.75 4.13 4.37 3h13A1 VAL 324 HB 0.04 0.03 0.14 -0.04 2.12 2.30 3h13A1 VAL 324 HG13 0.09 0.03 0.02 -0.04 0.97 1.06 3h13A1 VAL 324 HG23 0.07 -0.00 -0.30 -0.04 0.95 0.68 3h13A1 ASP 325 H 0.08 0.36 -0.20 -0.55 8.40 8.09 3h13A1 ASP 325 HA 0.01 0.06 0.50 -0.75 4.63 4.44 3h13A1 ASP 325 HB2 0.04 0.14 0.12 -0.04 2.71 2.98 3h13A1 ASP 325 HB3 -0.03 0.05 -0.13 -0.04 2.70 2.54 3h13A1 GLN 326 H -0.05 0.15 0.12 -0.55 8.47 8.15 3h13A1 GLN 326 HA -0.14 0.14 0.66 -0.75 4.36 4.27 3h13A1 GLN 326 HB2 -0.06 -0.04 0.25 -0.04 2.15 2.26 3h13A1 GLN 326 HB3 -0.09 0.01 0.09 -0.04 2.02 1.99 3h13A1 GLN 326 HG2 -0.03 0.01 0.05 -0.04 2.40 2.39 3h13A1 GLN 326 HG3 -0.04 0.00 0.05 -0.04 2.39 2.36 3h13A1 GLN 326 HE21 -0.01 -0.02 -0.07 -0.04 6.97 6.84 3h13A1 GLN 326 HE22 -0.01 0.09 -0.10 -0.04 7.69 7.63 3h13A1 THR 327 H -0.52 0.40 0.05 -0.55 8.28 7.66 3h13A1 THR 327 HA -0.25 0.18 0.71 -0.75 4.39 4.28 3h13A1 THR 327 HB -0.15 0.03 -0.34 -0.04 4.32 3.82 3h13A1 THR 327 HG23 -0.37 0.03 -0.35 -0.04 1.22 0.49 3h13A1 HIS 328 H -0.11 0.11 0.13 -0.55 8.41 7.99 3h13A1 HIS 328 HA -0.21 0.21 0.83 -0.75 4.63 4.71 3h13A1 HIS 328 HB2 -0.06 0.00 0.03 -0.04 3.26 3.19 3h13A1 HIS 328 HB3 -0.02 0.02 0.08 -0.04 3.20 3.24 3h13A1 HIS 328 HD2 -0.05 0.01 -0.11 -0.04 6.97 6.78 3h13A1 HIS 328 HE1 0.02 -0.02 -0.01 -0.04 7.75 7.70 3h13A1 SER 329 H -0.05 0.05 0.00 -0.55 8.46 7.92 3h13A1 SER 329 HA 0.11 0.18 0.84 -0.75 4.49 4.86 3h13A1 SER 329 HB2 0.05 0.08 0.05 -0.04 3.95 4.10 3h13A1 SER 329 HB3 0.05 0.01 -0.02 -0.04 3.93 3.93 3h13A1 GLY 330 H 0.23 0.14 -0.16 -0.55 8.43 8.09 3h13A1 GLY 330 HA2 0.23 0.15 0.57 -0.51 4.01 4.45 3h13A1 GLY 330 HA3 0.32 -0.04 -0.02 -0.51 4.01 3.76 3h13A1 LEU 331 H 0.12 0.60 0.24 -0.55 8.37 8.77 3h13A1 LEU 331 HA 0.05 0.14 0.52 -0.75 4.35 4.31 3h13A1 LEU 331 HB2 0.09 -0.04 0.11 -0.04 1.64 1.76 3h13A1 LEU 331 HB3 0.08 -0.04 0.21 -0.04 1.64 1.85 3h13A1 LEU 331 HG 0.08 0.04 -0.24 -0.04 1.64 1.48 3h13A1 LEU 331 HD13 0.10 0.02 -0.04 -0.04 0.93 0.97 3h13A1 LEU 331 HD23 0.09 0.00 -0.07 -0.04 0.89 0.87 3h13A1 PRO 332 HA -0.09 0.22 0.55 -0.51 4.44 4.61 3h13A1 PRO 332 HB2 -1.30 -0.16 0.07 -0.04 2.28 0.85 3h13A1 PRO 332 HB3 -0.35 0.07 0.12 -0.04 2.02 1.83 3h13A1 PRO 332 HG2 -0.83 0.05 0.09 -0.04 2.03 1.30 3h13A1 PRO 332 HG3 -0.20 0.12 0.09 -0.04 2.03 1.99 3h13A1 PRO 332 HD2 -0.20 0.05 0.19 -0.04 3.68 3.67 3h13A1 PRO 332 HD3 -0.06 0.27 0.35 -0.04 3.65 4.17 3h13A1 LEU 333 H 0.02 0.80 0.28 -0.55 8.37 8.93 3h13A1 LEU 333 HA 0.17 0.08 0.37 -0.75 4.35 4.22 3h13A1 LEU 333 HB2 0.15 0.03 0.03 -0.04 1.64 1.81 3h13A1 LEU 333 HB3 0.59 0.02 -0.08 -0.04 1.64 2.14 3h13A1 LEU 333 HG 0.11 0.02 -0.65 -0.04 1.64 1.08 3h13A1 LEU 333 HD13 0.27 0.00 -0.11 -0.04 0.93 1.05 3h13A1 LEU 333 HD23 0.22 0.01 -0.18 -0.04 0.89 0.91 3h13A1 HIS 334 H 0.05 0.16 -0.13 -0.55 8.41 7.94 3h13A1 HIS 334 HA -0.31 0.09 0.31 -0.75 4.63 3.96 3h13A1 HIS 334 HB2 -0.14 0.07 0.04 -0.04 3.26 3.19 3h13A1 HIS 334 HB3 -0.18 0.01 0.08 -0.04 3.20 3.06 3h13A1 HIS 334 HD2 0.10 0.04 -0.17 -0.04 6.97 6.89 3h13A1 HIS 334 HE1 -0.20 0.03 0.01 -0.04 7.75 7.55 3h13A1 HIS 335 H -0.42 0.16 -0.57 -0.55 8.41 7.03 3h13A1 HIS 335 HA -0.18 0.09 0.40 -0.75 4.63 4.19 3h13A1 HIS 335 HB2 -0.16 0.21 0.03 -0.04 3.26 3.31 3h13A1 HIS 335 HB3 -0.09 0.01 -0.03 -0.04 3.20 3.05 3h13A1 HIS 335 HD2 -0.07 -0.00 0.02 -0.04 6.97 6.87 3h13A1 HIS 335 HE1 0.09 0.01 -0.03 -0.04 7.75 7.78 3h13A1 ILE 336 H 0.05 0.27 -0.36 -0.55 8.25 7.66 3h13A1 ILE 336 HA 0.21 0.07 0.37 -0.75 4.18 4.07 3h13A1 ILE 336 HB 0.28 0.14 0.16 -0.04 1.89 2.43 3h13A1 ILE 336 HG12 0.19 -0.02 -0.10 -0.04 1.49 1.52 3h13A1 ILE 336 HG13 0.14 0.12 -0.07 -0.04 1.21 1.35 3h13A1 ILE 336 HG23 0.36 -0.00 -0.22 -0.04 0.93 1.02 3h13A1 ILE 336 HD13 0.19 -0.04 -0.11 -0.04 0.88 0.88 3h13A1 ARG 337 H -0.11 0.38 -0.04 -0.55 8.46 8.14 3h13A1 ARG 337 HA 0.03 0.08 0.23 -0.75 4.34 3.93 3h13A1 ARG 337 HB2 -0.84 0.05 -0.07 -0.04 1.90 1.00 3h13A1 ARG 337 HB3 -0.72 -0.02 -0.01 -0.04 1.80 1.01 3h13A1 ARG 337 HG2 -0.65 0.11 0.02 -0.04 1.67 1.11 3h13A1 ARG 337 HG3 -0.44 0.10 -0.01 -0.04 1.67 1.28 3h13A1 ARG 337 HD2 -0.94 0.05 -0.10 -0.04 3.22 2.19 3h13A1 ARG 337 HD3 -2.11 -0.03 -0.12 -0.04 3.22 0.92 3h13A1 ARG 338 H -0.03 0.29 -0.66 -0.55 8.46 7.51 3h13A1 ARG 338 HA -0.02 -0.03 0.31 -0.75 4.34 3.85 3h13A1 ARG 338 HB2 -0.01 0.04 0.10 -0.04 1.90 1.99 3h13A1 ARG 338 HB3 -0.00 0.14 0.09 -0.04 1.80 1.99 3h13A1 ARG 338 HG2 -0.02 0.04 -0.26 -0.04 1.67 1.39 3h13A1 ARG 338 HG3 -0.01 -0.07 -0.00 -0.04 1.67 1.55 3h13A1 ARG 338 HD2 -0.02 -0.05 -0.04 -0.04 3.22 3.06 3h13A1 ARG 338 HD3 -0.11 0.00 0.00 -0.04 3.22 3.07 3h13A1 MET 339 H 0.12 0.46 -0.34 -0.55 8.47 8.16 3h13A1 MET 339 HA -0.05 0.01 0.39 -0.75 4.52 4.11 3h13A1 MET 339 HB2 0.08 0.14 0.03 -0.04 2.15 2.36 3h13A1 MET 339 HB3 -0.27 -0.01 -0.02 -0.04 2.03 1.69 3h13A1 MET 339 HG2 -0.04 -0.06 0.00 -0.04 2.63 2.50 3h13A1 MET 339 HG3 0.03 0.19 0.08 -0.04 2.56 2.83 3h13A1 MET 339 HE3 -0.02 0.03 -0.20 -0.04 2.10 1.87 3h13A1 PHE 340 H 0.45 0.37 -0.46 -0.55 8.34 8.14 3h13A1 PHE 340 HA 0.11 0.27 0.87 -0.75 4.62 5.13 3h13A1 PHE 340 HB2 0.61 -0.01 -0.02 -0.04 3.15 3.69 3h13A1 PHE 340 HB3 0.20 0.02 0.08 -0.04 3.06 3.32 3h13A1 PHE 340 HD2 0.05 0.10 -0.11 -0.04 7.28 7.27 3h13A1 PHE 340 HE2 -0.14 -0.03 -0.21 -0.04 7.38 6.96 3h13A1 PHE 340 HZ 0.21 -0.06 -0.09 -0.04 7.32 7.34 3h13A1 MET 341 H 0.24 0.25 -0.26 -0.55 8.47 8.15 3h13A1 MET 341 HA 0.46 0.20 0.53 -0.75 4.52 4.95 3h13A1 MET 341 HB2 0.11 -0.08 0.07 -0.04 2.15 2.21 3h13A1 MET 341 HB3 0.15 -0.04 0.09 -0.04 2.03 2.18 3h13A1 MET 341 HG2 0.13 0.05 -0.06 -0.04 2.63 2.71 3h13A1 MET 341 HG3 0.12 0.14 0.08 -0.04 2.56 2.86 3h13A1 MET 341 HE3 -0.24 -0.02 -0.15 -0.04 2.10 1.66 3h13A1 GLY 342 H 0.13 0.38 0.24 -0.55 8.43 8.63 3h13A1 GLY 342 HA2 0.06 0.21 0.19 -0.51 4.01 3.96 3h13A1 GLY 342 HA3 0.06 -0.02 0.33 -0.51 4.01 3.86 3h13A1 ASP 343 H 0.07 0.01 -0.27 -0.55 8.40 7.66 3h13A1 ASP 343 HA 0.06 0.11 0.47 -0.75 4.63 4.51 3h13A1 ASP 343 HB2 0.03 0.03 -0.03 -0.04 2.71 2.71 3h13A1 ASP 343 HB3 0.06 -0.03 0.05 -0.04 2.70 2.73 3h13A1 SER 344 H 0.04 0.08 -0.16 -0.55 8.46 7.87 3h13A1 SER 344 HA -0.00 0.05 0.58 -0.75 4.49 4.37 3h13A1 SER 344 HB2 -0.05 0.10 0.06 -0.04 3.95 4.02 3h13A1 SER 344 HB3 -0.02 -0.13 0.05 -0.04 3.93 3.79 3h13A1 CYS 345 H 0.04 0.40 -0.52 -0.55 8.50 7.87 3h13A1 CYS 345 HA 0.00 0.19 0.80 -0.75 4.58 4.82 3h13A1 CYS 345 HB2 -0.10 0.15 -0.12 -0.04 2.97 2.85 3h13A1 CYS 345 HB3 0.05 0.08 -0.18 -0.04 2.97 2.87 3h13A1 PRO 346 HA 0.08 0.09 0.49 -0.51 4.44 4.58 3h13A1 PRO 346 HB2 0.24 -0.02 0.04 -0.04 2.28 2.50 3h13A1 PRO 346 HB3 0.08 -0.04 0.09 -0.04 2.02 2.12 3h13A1 PRO 346 HG2 0.09 -0.04 0.05 -0.04 2.03 2.09 3h13A1 PRO 346 HG3 0.07 0.13 0.09 -0.04 2.03 2.29 3h13A1 PRO 346 HD2 0.10 0.07 0.04 -0.04 3.68 3.86 3h13A1 PRO 346 HD3 0.05 0.19 -0.56 -0.04 3.65 3.28 3h13A1 TYR 347 H 0.40 0.18 -0.22 -0.55 8.29 8.10 3h13A1 TYR 347 HA 0.02 0.07 0.34 -0.75 4.56 4.24 3h13A1 TYR 347 HB2 0.07 0.12 -0.00 -0.04 3.06 3.21 3h13A1 TYR 347 HB3 0.09 -0.10 -0.05 -0.04 2.98 2.88 3h13A1 TYR 347 HD2 -0.01 -0.19 0.08 -0.04 7.15 7.00 3h13A1 TYR 347 HE2 -0.03 0.00 0.08 -0.04 6.85 6.87 3h13A1 LEU 348 H 0.09 0.36 -0.54 -0.55 8.37 7.74 3h13A1 LEU 348 HA 0.04 0.26 0.76 -0.75 4.35 4.66 3h13A1 LEU 348 HB2 -0.01 0.12 -0.05 -0.04 1.64 1.65 3h13A1 LEU 348 HB3 -0.04 -0.01 0.01 -0.04 1.64 1.56 3h13A1 LEU 348 HG -0.19 -0.08 -0.34 -0.04 1.64 0.98 3h13A1 LEU 348 HD13 -0.53 -0.02 -0.09 -0.04 0.93 0.25 3h13A1 LEU 348 HD23 -0.00 0.04 -0.19 -0.04 0.89 0.70 3h13A1 ALA 349 H 0.04 0.40 -0.17 -0.55 8.40 8.12 3h13A1 ALA 349 HA 0.02 -0.06 0.43 -0.75 4.34 3.98 3h13A1 ALA 349 HB3 0.04 -0.01 0.15 -0.04 1.41 1.55 3h13A1 GLY 350 H 0.02 0.09 0.17 -0.55 8.43 8.17 3h13A1 GLY 350 HA2 0.09 -0.11 0.31 -0.51 4.01 3.79 3h13A1 GLY 350 HA3 0.07 0.04 0.42 -0.51 4.01 4.04 3h13A1 LYS 351 H 0.01 0.55 -0.28 -0.55 8.42 8.14 3h13A1 LYS 351 HA 0.03 0.15 1.06 -0.75 4.32 4.81 3h13A1 LYS 351 HB2 0.01 0.06 -0.04 -0.04 1.87 1.86 3h13A1 LYS 351 HB3 0.02 0.08 -0.11 -0.04 1.79 1.74 3h13A1 LYS 351 HG2 0.06 -0.03 -0.06 -0.04 1.46 1.40 3h13A1 LYS 351 HG3 0.05 0.05 -0.40 -0.04 1.46 1.11 3h13A1 LYS 351 HD2 0.06 -0.07 -0.02 -0.04 1.69 1.62 3h13A1 LYS 351 HD3 0.09 -0.01 -0.15 -0.04 1.68 1.57 3h13A1 LYS 351 HE2 0.05 -0.17 0.03 -0.04 2.99 2.86 3h13A1 LYS 351 HE3 0.03 -0.10 -0.05 -0.04 2.99 2.83 3h13A1 PRO 352 HA -0.27 0.24 0.56 -0.51 4.44 4.46 3h13A1 PRO 352 HB2 -0.28 -0.07 0.00 -0.04 2.28 1.89 3h13A1 PRO 352 HB3 -0.82 -0.11 0.09 -0.04 2.02 1.14 3h13A1 PRO 352 HG2 -0.14 -0.01 0.21 -0.04 2.03 2.06 3h13A1 PRO 352 HG3 -0.35 -0.03 0.10 -0.04 2.03 1.71 3h13A1 PRO 352 HD2 -0.07 0.55 0.44 -0.04 3.68 4.57 3h13A1 PRO 352 HD3 -0.36 0.03 0.28 -0.04 3.65 3.56 3h13A1 LYS 353 H -0.16 0.67 0.43 -0.55 8.42 8.81 3h13A1 LYS 353 HA -0.07 0.17 0.91 -0.75 4.32 4.57 3h13A1 LYS 353 HB2 -0.56 -0.06 0.22 -0.04 1.87 1.43 3h13A1 LYS 353 HB3 0.07 -0.10 0.03 -0.04 1.79 1.75 3h13A1 LYS 353 HG2 0.01 -0.07 -0.06 -0.04 1.46 1.30 3h13A1 LYS 353 HG3 -0.17 0.31 -0.18 -0.04 1.46 1.39 3h13A1 LYS 353 HD2 -0.19 -0.13 -0.02 -0.04 1.69 1.30 3h13A1 LYS 353 HD3 -0.04 0.02 -0.03 -0.04 1.68 1.59 3h13A1 LYS 353 HE2 -1.11 -0.14 -0.09 -0.04 2.99 1.61 3h13A1 LYS 353 HE3 -0.28 -0.02 -0.01 -0.04 2.99 2.64 3h13A1 MET 354 H -0.33 0.84 0.33 -0.55 8.47 8.76 3h13A1 MET 354 HA 0.01 0.17 1.07 -0.75 4.52 5.02 3h13A1 MET 354 HB2 -0.34 0.02 0.18 -0.04 2.15 1.97 3h13A1 MET 354 HB3 -0.52 -0.07 -0.03 -0.04 2.03 1.38 3h13A1 MET 354 HG2 -0.32 -0.08 -0.09 -0.04 2.63 2.09 3h13A1 MET 354 HG3 -0.18 0.02 -0.28 -0.04 2.56 2.08 3h13A1 MET 354 HE3 -0.08 0.08 -0.14 -0.04 2.10 1.91 3h13A1 PHE 355 H 0.03 0.76 0.44 -0.55 8.34 9.03 3h13A1 PHE 355 HA -0.35 0.32 1.06 -0.75 4.62 4.90 3h13A1 PHE 355 HB2 -0.40 -0.03 0.25 -0.04 3.15 2.92 3h13A1 PHE 355 HB3 -0.74 -0.07 -0.02 -0.04 3.06 2.19 3h13A1 PHE 355 HD2 0.11 0.04 -0.13 -0.04 7.28 7.27 3h13A1 PHE 355 HE2 0.16 0.04 -0.18 -0.04 7.38 7.36 3h13A1 PHE 355 HZ -0.29 0.09 -0.17 -0.04 7.32 6.91 3h13A1 PHE 356 H -0.08 0.74 0.40 -0.55 8.34 8.85 3h13A1 PHE 356 HA 0.07 0.18 0.91 -0.75 4.62 5.03 3h13A1 PHE 356 HB2 -0.04 -0.05 0.18 -0.04 3.15 3.20 3h13A1 PHE 356 HB3 0.07 -0.05 0.01 -0.04 3.06 3.05 3h13A1 PHE 356 HD2 0.00 0.01 -0.11 -0.04 7.28 7.14 3h13A1 PHE 356 HE2 0.04 0.02 -0.12 -0.04 7.38 7.27 3h13A1 PHE 356 HZ -0.11 0.02 -0.11 -0.04 7.32 7.08 3h13A1 ILE 357 H 0.01 0.74 0.37 -0.55 8.25 8.82 3h13A1 ILE 357 HA 0.02 0.25 1.23 -0.75 4.18 4.93 3h13A1 ILE 357 HB -0.20 -0.03 0.17 -0.04 1.89 1.78 3h13A1 ILE 357 HG12 -0.16 0.01 -0.17 -0.04 1.49 1.13 3h13A1 ILE 357 HG13 -0.39 -0.06 -0.47 -0.04 1.21 0.26 3h13A1 ILE 357 HG23 -0.04 -0.02 -0.20 -0.04 0.93 0.63 3h13A1 ILE 357 HD13 -0.84 -0.00 -0.15 -0.04 0.88 -0.15 3h13A1 GLN 358 H 0.05 0.70 0.44 -0.55 8.47 9.11 3h13A1 GLN 358 HA -0.14 0.18 1.01 -0.75 4.36 4.66 3h13A1 GLN 358 HB2 0.17 -0.05 0.04 -0.04 2.15 2.27 3h13A1 GLN 358 HB3 0.10 -0.08 0.27 -0.04 2.02 2.27 3h13A1 GLN 358 HG2 0.09 -0.10 -0.03 -0.04 2.40 2.32 3h13A1 GLN 358 HG3 -0.29 0.05 -0.27 -0.04 2.39 1.84 3h13A1 GLN 358 HE21 -0.18 -0.06 -0.28 -0.04 6.97 6.41 3h13A1 GLN 358 HE22 -0.63 0.26 -0.16 -0.04 7.69 7.12 3h13A1 ASN 359 H -0.16 0.90 0.39 -0.55 8.53 9.11 3h13A1 ASN 359 HA -0.00 0.34 0.95 -0.75 4.76 5.30 3h13A1 ASN 359 HB2 -0.05 -0.06 -0.06 -0.04 2.88 2.67 3h13A1 ASN 359 HB3 -0.07 -0.04 0.08 -0.04 2.79 2.71 3h13A1 ASN 359 HD21 -0.10 0.43 0.03 -0.04 7.03 7.35 3h13A1 ASN 359 HD22 -0.05 -0.17 -0.04 -0.04 7.74 7.44 3h13A1 TYR 360 H 0.14 0.40 0.40 -0.55 8.29 8.67 3h13A1 TYR 360 HA 0.04 0.26 0.92 -0.75 4.56 5.02 3h13A1 TYR 360 HB2 0.03 -0.07 0.12 -0.04 3.06 3.10 3h13A1 TYR 360 HB3 0.04 -0.01 -0.05 -0.04 2.98 2.92 3h13A1 TYR 360 HD2 0.05 0.08 -0.28 -0.04 7.15 6.96 3h13A1 TYR 360 HE2 0.10 -0.03 -0.13 -0.04 6.85 6.75 3h13A1 VAL 361 H 0.09 0.69 0.31 -0.55 8.24 8.78 3h13A1 VAL 361 HA 0.05 0.34 1.02 -0.75 4.13 4.79 3h13A1 VAL 361 HB 0.02 -0.01 -0.08 -0.04 2.12 2.01 3h13A1 VAL 361 HG13 0.02 0.03 -0.07 -0.04 0.97 0.91 3h13A1 VAL 361 HG23 -0.04 0.01 -0.48 -0.04 0.95 0.40 3h13A1 VAL 362 H 0.09 0.24 0.23 -0.55 8.24 8.25 3h13A1 VAL 362 HA 0.07 -0.02 0.76 -0.75 4.13 4.18 3h13A1 VAL 362 HB 0.11 0.01 0.21 -0.04 2.12 2.40 3h13A1 VAL 362 HG13 0.06 0.04 -0.11 -0.04 0.97 0.92 3h13A1 VAL 362 HG23 0.12 0.01 0.06 -0.04 0.95 1.10 3h13A1 SER 363 H 0.05 0.05 0.13 -0.55 8.46 8.14 3h13A1 SER 363 HA 0.02 0.13 0.17 -0.75 4.49 4.05 3h13A1 SER 363 HB2 0.02 0.07 0.07 -0.04 3.95 4.06 3h13A1 SER 363 HB3 0.03 0.01 0.07 -0.04 3.93 4.00 3h13A1 HIS 396 HA 0.05 0.03 0.23 -0.75 4.63 4.19 3h13A1 HIS 396 HB2 0.03 0.03 0.05 -0.04 3.26 3.34 3h13A1 HIS 396 HB3 0.04 -0.06 0.08 -0.04 3.20 3.21 3h13A1 HIS 396 HD2 0.04 -0.04 -0.12 -0.04 6.97 6.80 3h13A1 HIS 396 HE1 0.04 0.04 -0.03 -0.04 7.75 7.76 3h13A1 ARG 397 H 0.10 0.20 0.11 -0.55 8.46 8.32 3h13A1 ARG 397 HA -0.12 0.08 0.48 -0.75 4.34 4.03 3h13A1 ARG 397 HB2 0.07 -0.14 0.14 -0.04 1.90 1.93 3h13A1 ARG 397 HB3 0.10 0.03 0.14 -0.04 1.80 2.02 3h13A1 ARG 397 HG2 0.05 0.02 0.06 -0.04 1.67 1.76 3h13A1 ARG 397 HG3 0.04 0.06 -0.26 -0.04 1.67 1.47 3h13A1 ARG 397 HD2 0.04 -0.04 -0.02 -0.04 3.22 3.17 3h13A1 ARG 397 HD3 0.05 0.01 0.01 -0.04 3.22 3.25 3h13A1 GLU 398 H 0.02 0.11 -0.58 -0.55 8.60 7.61 3h13A1 GLU 398 HA 0.22 0.23 0.78 -0.75 4.29 4.76 3h13A1 GLU 398 HB2 -0.07 -0.03 0.09 -0.04 2.09 2.04 3h13A1 GLU 398 HB3 -0.04 -0.05 -0.05 -0.04 1.99 1.81 3h13A1 GLU 398 HG2 0.02 0.05 -0.05 -0.04 2.34 2.32 3h13A1 GLU 398 HG3 0.02 0.03 -0.19 -0.04 2.34 2.16 3h13A1 ALA 399 H 0.02 0.43 -0.23 -0.55 8.40 8.08 3h13A1 ALA 399 HA 0.13 0.07 0.60 -0.75 4.34 4.39 3h13A1 ALA 399 HB3 0.05 -0.00 0.11 -0.04 1.41 1.53 3h13A1 ASP 400 H 0.19 0.56 0.13 -0.55 8.40 8.73 3h13A1 ASP 400 HA 0.16 -0.13 0.18 -0.75 4.63 4.09 3h13A1 ASP 400 HB2 -0.03 0.31 -0.07 -0.04 2.71 2.88 3h13A1 ASP 400 HB3 -0.05 -0.02 -0.29 -0.04 2.70 2.30 3h13A1 PHE 401 H 0.32 0.07 -0.26 -0.55 8.34 7.92 3h13A1 PHE 401 HA 0.20 0.35 0.90 -0.75 4.62 5.32 3h13A1 PHE 401 HB2 0.07 0.04 -0.00 -0.04 3.15 3.22 3h13A1 PHE 401 HB3 0.14 -0.08 -0.11 -0.04 3.06 2.98 3h13A1 PHE 401 HD2 0.19 0.04 -0.18 -0.04 7.28 7.29 3h13A1 PHE 401 HE2 0.17 -0.02 -0.05 -0.04 7.38 7.44 3h13A1 PHE 401 HZ 0.22 -0.01 -0.49 -0.04 7.32 7.00 3h13A1 PHE 402 H 0.45 0.80 0.37 -0.55 8.34 9.40 3h13A1 PHE 402 HA 0.14 0.03 0.83 -0.75 4.62 4.87 3h13A1 PHE 402 HB2 -0.04 0.01 -0.10 -0.04 3.15 2.98 3h13A1 PHE 402 HB3 -0.10 -0.01 0.16 -0.04 3.06 3.06 3h13A1 PHE 402 HD2 -0.31 -0.02 -0.10 -0.04 7.28 6.81 3h13A1 PHE 402 HE2 -0.08 -0.03 -0.11 -0.04 7.38 7.12 3h13A1 PHE 402 HZ -0.10 -0.00 -0.13 -0.04 7.32 7.04 3h13A1 TRP 403 H -0.22 0.54 0.26 -0.55 7.97 8.00 3h13A1 TRP 403 HA -0.01 0.19 1.07 -0.75 4.62 5.12 3h13A1 TRP 403 HB2 -0.05 -0.01 -0.13 -0.04 3.23 3.00 3h13A1 TRP 403 HB3 -0.24 0.07 0.25 -0.04 3.23 3.27 3h13A1 TRP 403 HD1 0.17 -0.04 -0.13 -0.04 7.22 7.18 3h13A1 TRP 403 HE1 0.29 -0.07 -0.16 -0.04 10.20 10.22 3h13A1 TRP 403 HE3 -0.27 0.09 -0.08 -0.04 7.59 7.28 3h13A1 TRP 403 HZ2 0.00 -0.11 -0.14 -0.04 7.44 7.16 3h13A1 TRP 403 HZ3 -1.32 0.05 -0.11 -0.04 7.13 5.71 3h13A1 TRP 403 HH2 -0.16 -0.01 -0.05 -0.04 7.19 6.93 3h13A1 SER 404 H -0.32 0.81 0.36 -0.55 8.46 8.75 3h13A1 SER 404 HA -0.12 0.23 1.08 -0.75 4.49 4.92 3h13A1 SER 404 HB2 0.13 -0.02 0.03 -0.04 3.95 4.04 3h13A1 SER 404 HB3 0.25 0.02 0.28 -0.04 3.93 4.45 3h13A1 LEU 405 H 0.11 0.82 0.37 -0.55 8.37 9.13 3h13A1 LEU 405 HA -0.12 0.19 1.17 -0.75 4.35 4.84 3h13A1 LEU 405 HB2 0.11 -0.01 -0.10 -0.04 1.64 1.59 3h13A1 LEU 405 HB3 0.49 0.04 0.15 -0.04 1.64 2.28 3h13A1 LEU 405 HG 0.07 -0.01 -0.40 -0.04 1.64 1.26 3h13A1 LEU 405 HD13 -0.01 0.02 -0.09 -0.04 0.93 0.81 3h13A1 LEU 405 HD23 0.15 -0.03 -0.06 -0.04 0.89 0.92 3h13A1 CYS 406 H -0.29 0.91 0.48 -0.55 8.50 9.05 3h13A1 CYS 406 HA -0.19 0.36 1.21 -0.75 4.58 5.21 3h13A1 CYS 406 HB2 -1.62 -0.03 -0.01 -0.04 2.97 1.27 3h13A1 CYS 406 HB3 -0.73 -0.08 0.22 -0.04 2.97 2.34 3h13A1 THR 407 H 0.02 0.73 0.42 -0.55 8.28 8.89 3h13A1 THR 407 HA -0.08 0.23 1.05 -0.75 4.39 4.83 3h13A1 THR 407 HB 0.08 0.00 0.13 -0.04 4.32 4.48 3h13A1 THR 407 HG23 0.00 -0.01 -0.15 -0.04 1.22 1.02 3h13A1 ALA 408 H -0.12 0.47 0.36 -0.55 8.40 8.56 3h13A1 ALA 408 HA -0.02 0.25 0.84 -0.75 4.34 4.66 3h13A1 ALA 408 HB3 -0.16 0.00 0.04 -0.04 1.41 1.26 3h13A1 ASP 409 H 0.01 0.34 0.21 -0.55 8.40 8.41 3h13A1 ASP 409 HA 0.08 0.18 0.65 -0.75 4.63 4.80 3h13A1 ASP 409 HB2 0.06 0.09 0.20 -0.04 2.71 3.02 3h13A1 ASP 409 HB3 0.05 0.17 0.28 -0.04 2.70 3.16 3h13A1 MET 410 H 0.11 0.71 0.39 -0.55 8.47 9.13 3h13A1 MET 410 HA 0.17 0.04 0.36 -0.75 4.52 4.33 3h13A1 MET 410 HB2 0.11 0.06 -0.26 -0.04 2.15 2.02 3h13A1 MET 410 HB3 0.08 -0.05 0.04 -0.04 2.03 2.06 3h13A1 MET 410 HG2 0.07 0.03 -0.07 -0.04 2.63 2.63 3h13A1 MET 410 HG3 0.05 -0.05 -0.04 -0.04 2.56 2.48 3h13A1 MET 410 HE3 0.14 -0.01 -0.02 -0.04 2.10 2.17 3h13A1 SER 411 H 0.07 0.08 -0.25 -0.55 8.46 7.81 3h13A1 SER 411 HA 0.04 0.07 0.39 -0.75 4.49 4.23 3h13A1 SER 411 HB2 0.04 0.05 0.06 -0.04 3.95 4.06 3h13A1 SER 411 HB3 0.04 -0.01 0.11 -0.04 3.93 4.03 3h13A1 LEU 412 H 0.10 0.47 -0.32 -0.55 8.37 8.08 3h13A1 LEU 412 HA 0.07 0.04 0.38 -0.75 4.35 4.09 3h13A1 LEU 412 HB2 0.23 0.11 0.07 -0.04 1.64 2.02 3h13A1 LEU 412 HB3 0.17 0.02 -0.02 -0.04 1.64 1.77 3h13A1 LEU 412 HG 0.07 0.05 0.14 -0.04 1.64 1.86 3h13A1 LEU 412 HD13 0.02 -0.00 0.03 -0.04 0.93 0.94 3h13A1 LEU 412 HD23 0.11 -0.02 0.03 -0.04 0.89 0.97 3h13A1 LEU 413 H -0.00 0.41 -0.30 -0.55 8.37 7.93 3h13A1 LEU 413 HA -0.05 0.15 0.27 -0.75 4.35 3.96 3h13A1 LEU 413 HB2 -0.06 0.13 0.06 -0.04 1.64 1.72 3h13A1 LEU 413 HB3 -0.08 -0.01 -0.01 -0.04 1.64 1.50 3h13A1 LEU 413 HG -0.47 -0.02 -0.02 -0.04 1.64 1.09 3h13A1 LEU 413 HD13 -0.28 -0.01 -0.03 -0.04 0.93 0.57 3h13A1 LEU 413 HD23 -0.69 0.01 -0.12 -0.04 0.89 0.05 3h13A1 GLU 414 H 0.02 0.22 -0.20 -0.55 8.60 8.10 3h13A1 GLU 414 HA 0.02 0.05 0.43 -0.75 4.29 4.04 3h13A1 GLU 414 HB2 0.03 0.13 0.15 -0.04 2.09 2.36 3h13A1 GLU 414 HB3 0.02 -0.00 0.01 -0.04 1.99 1.98 3h13A1 GLU 414 HG2 0.02 0.01 0.01 -0.04 2.34 2.33 3h13A1 GLU 414 HG3 0.02 -0.00 -0.01 -0.04 2.34 2.31 3h13A1 GLN 415 H 0.04 0.30 -0.25 -0.55 8.47 8.01 3h13A1 GLN 415 HA 0.03 0.04 0.45 -0.75 4.36 4.13 3h13A1 GLN 415 HB2 0.04 -0.04 0.07 -0.04 2.15 2.18 3h13A1 GLN 415 HB3 0.05 0.11 0.13 -0.04 2.02 2.26 3h13A1 GLN 415 HG2 0.04 0.03 -0.23 -0.04 2.40 2.20 3h13A1 GLN 415 HG3 0.04 -0.03 0.01 -0.04 2.39 2.36 3h13A1 GLN 415 HE21 0.05 -0.03 -0.02 -0.04 6.97 6.93 3h13A1 GLN 415 HE22 0.04 -0.00 -0.02 -0.04 7.69 7.67 3h13A1 SER 416 H 0.03 0.52 -0.20 -0.55 8.46 8.27 3h13A1 SER 416 HA 0.00 0.08 0.53 -0.75 4.49 4.34 3h13A1 SER 416 HB2 0.01 0.14 -0.11 -0.04 3.95 3.95 3h13A1 SER 416 HB3 0.02 0.02 0.07 -0.04 3.93 4.00 3h13A1 HIS 417 H 0.06 0.23 0.07 -0.55 8.41 8.23 3h13A1 HIS 417 HA -0.09 0.07 0.54 -0.75 4.63 4.40 3h13A1 HIS 417 HB2 -0.07 -0.07 0.12 -0.04 3.26 3.20 3h13A1 HIS 417 HB3 -0.05 0.27 0.15 -0.04 3.20 3.53 3h13A1 HIS 417 HD2 -0.01 0.06 0.03 -0.04 6.97 7.01 3h13A1 HIS 417 HE1 0.00 -0.02 -0.03 -0.04 7.75 7.66 3h13A1 SER 418 H -0.31 0.04 -0.34 -0.55 8.46 7.29 3h13A1 SER 418 HA -0.17 0.23 0.66 -0.75 4.49 4.46 3h13A1 SER 418 HB2 -0.14 0.02 0.11 -0.04 3.95 3.89 3h13A1 SER 418 HB3 -0.41 -0.01 -0.02 -0.04 3.93 3.45 3h13A1 SER 419 H -0.07 0.23 -0.32 -0.55 8.46 7.75 3h13A1 SER 419 HA -0.03 0.16 0.66 -0.75 4.49 4.53 3h13A1 SER 419 HB2 0.02 0.08 0.08 -0.04 3.95 4.08 3h13A1 SER 419 HB3 0.01 0.05 -0.03 -0.04 3.93 3.92 3h13A1 PRO 420 HA 0.03 -0.05 0.41 -0.51 4.44 4.32 3h13A1 PRO 420 HB2 -0.07 -0.03 -0.08 -0.04 2.28 2.06 3h13A1 PRO 420 HB3 -0.04 0.18 0.06 -0.04 2.02 2.18 3h13A1 PRO 420 HG2 -0.06 -0.01 0.04 -0.04 2.03 1.96 3h13A1 PRO 420 HG3 -0.06 0.03 0.03 -0.04 2.03 1.99 3h13A1 PRO 420 HD2 -0.03 0.04 0.24 -0.04 3.68 3.88 3h13A1 PRO 420 HD3 -0.03 0.22 0.22 -0.04 3.65 4.01 3h13A1 SER 421 H 0.08 0.01 0.10 -0.55 8.46 8.11 3h13A1 SER 421 HA 0.09 0.21 0.38 -0.75 4.49 4.41 3h13A1 SER 421 HB2 -0.18 0.02 0.10 -0.04 3.95 3.85 3h13A1 SER 421 HB3 0.23 0.12 0.08 -0.04 3.93 4.31 3h13A1 LEU 422 H -0.77 0.23 0.14 -0.55 8.37 7.43 3h13A1 LEU 422 HA -0.33 0.16 0.42 -0.75 4.35 3.85 3h13A1 LEU 422 HB2 -0.95 0.02 0.13 -0.04 1.64 0.80 3h13A1 LEU 422 HB3 -0.49 0.02 -0.11 -0.04 1.64 1.02 3h13A1 LEU 422 HG -0.78 0.06 0.03 -0.04 1.64 0.91 3h13A1 LEU 422 HD13 -1.01 0.02 -0.02 -0.04 0.93 -0.12 3h13A1 LEU 422 HD23 -0.18 0.01 0.01 -0.04 0.89 0.68 3h13A1 TYR 423 H -0.64 0.08 -0.20 -0.55 8.29 6.98 3h13A1 TYR 423 HA -0.30 0.13 0.37 -0.75 4.56 4.01 3h13A1 TYR 423 HB2 -0.28 0.07 0.00 -0.04 3.06 2.81 3h13A1 TYR 423 HB3 -0.30 -0.08 0.02 -0.04 2.98 2.58 3h13A1 TYR 423 HD2 -0.11 -0.02 -0.13 -0.04 7.15 6.84 3h13A1 TYR 423 HE2 0.04 0.00 -0.25 -0.04 6.85 6.60 3h13A1 LEU 424 H -0.12 0.07 -0.30 -0.55 8.37 7.48 3h13A1 LEU 424 HA -0.44 0.05 0.28 -0.75 4.35 3.49 3h13A1 LEU 424 HB2 -0.11 0.15 -0.01 -0.04 1.64 1.64 3h13A1 LEU 424 HB3 -0.14 -0.01 -0.03 -0.04 1.64 1.42 3h13A1 LEU 424 HG 0.07 -0.07 -0.01 -0.04 1.64 1.59 3h13A1 LEU 424 HD13 0.03 -0.01 -0.03 -0.04 0.93 0.88 3h13A1 LEU 424 HD23 -0.03 0.00 -0.11 -0.04 0.89 0.72 3h13A1 GLN 425 H -0.24 0.37 -0.38 -0.55 8.47 7.68 3h13A1 GLN 425 HA -0.21 0.04 0.38 -0.75 4.36 3.83 3h13A1 GLN 425 HB2 -0.22 0.03 0.11 -0.04 2.15 2.03 3h13A1 GLN 425 HB3 -0.18 0.00 -0.04 -0.04 2.02 1.76 3h13A1 GLN 425 HG2 -0.13 -0.03 -0.04 -0.04 2.40 2.16 3h13A1 GLN 425 HG3 -0.15 0.11 -0.12 -0.04 2.39 2.19 3h13A1 GLN 425 HE21 -0.12 -0.05 -0.12 -0.04 6.97 6.63 3h13A1 GLN 425 HE22 -0.14 0.21 -0.54 -0.04 7.69 7.17 3h13A1 CYS 426 H -0.35 0.74 -0.08 -0.55 8.50 8.26 3h13A1 CYS 426 HA -0.46 0.04 0.40 -0.75 4.58 3.81 3h13A1 CYS 426 HB2 -0.72 0.03 0.08 -0.04 2.97 2.32 3h13A1 CYS 426 HB3 -0.41 0.05 0.13 -0.04 2.97 2.69 3h13A1 LEU 427 H -0.46 0.56 -0.21 -0.55 8.37 7.72 3h13A1 LEU 427 HA -0.37 0.01 0.33 -0.75 4.35 3.57 3h13A1 LEU 427 HB2 -0.72 0.09 0.04 -0.04 1.64 1.01 3h13A1 LEU 427 HB3 -0.53 0.03 0.05 -0.04 1.64 1.15 3h13A1 LEU 427 HG -0.65 0.01 -0.19 -0.04 1.64 0.77 3h13A1 LEU 427 HD13 -0.33 -0.01 -0.06 -0.04 0.93 0.50 3h13A1 LEU 427 HD23 -0.78 -0.02 -0.11 -0.04 0.89 -0.07 3h13A1 SER 428 H -0.35 0.51 -0.26 -0.55 8.46 7.81 3h13A1 SER 428 HA -0.39 -0.01 0.35 -0.75 4.49 3.68 3h13A1 SER 428 HB2 -0.26 -0.13 -0.08 -0.04 3.95 3.44 3h13A1 SER 428 HB3 -0.24 0.15 0.14 -0.04 3.93 3.94 3h13A1 GLN 429 H -0.26 0.53 -0.21 -0.55 8.47 7.98 3h13A1 GLN 429 HA -0.17 0.02 0.34 -0.75 4.36 3.79 3h13A1 GLN 429 HB2 -0.20 0.05 0.09 -0.04 2.15 2.05 3h13A1 GLN 429 HB3 -0.25 0.06 0.14 -0.04 2.02 1.94 3h13A1 GLN 429 HG2 -0.13 -0.01 -0.23 -0.04 2.40 1.99 3h13A1 GLN 429 HG3 -0.12 -0.02 -0.01 -0.04 2.39 2.21 3h13A1 GLN 429 HE21 -0.04 -0.02 -0.05 -0.04 6.97 6.83 3h13A1 GLN 429 HE22 -0.07 0.01 -0.08 -0.04 7.69 7.51 3h13A1 LYS 430 H -0.25 0.63 -0.09 -0.55 8.42 8.16 3h13A1 LYS 430 HA -0.14 0.02 0.36 -0.75 4.32 3.81 3h13A1 LYS 430 HB2 -0.21 0.04 0.09 -0.04 1.87 1.75 3h13A1 LYS 430 HB3 -0.13 -0.05 -0.06 -0.04 1.79 1.52 3h13A1 LYS 430 HG2 -0.25 0.19 0.06 -0.04 1.46 1.42 3h13A1 LYS 430 HG3 -0.18 -0.05 -0.07 -0.04 1.46 1.12 3h13A1 LYS 430 HD2 -0.08 -0.02 -0.01 -0.04 1.69 1.54 3h13A1 LYS 430 HD3 -0.12 -0.01 -0.05 -0.04 1.68 1.47 3h13A1 LYS 430 HE2 -0.20 -0.01 -0.08 -0.04 2.99 2.66 3h13A1 LYS 430 HE3 -0.09 -0.05 -0.19 -0.04 2.99 2.62 3h13A1 LEU 431 H -0.26 0.56 -0.10 -0.55 8.37 8.02 3h13A1 LEU 431 HA -0.17 0.04 0.26 -0.75 4.35 3.73 3h13A1 LEU 431 HB2 -0.44 0.06 0.07 -0.04 1.64 1.28 3h13A1 LEU 431 HB3 -0.37 0.03 -0.06 -0.04 1.64 1.19 3h13A1 LEU 431 HG -0.29 0.01 0.02 -0.04 1.64 1.33 3h13A1 LEU 431 HD13 -0.55 -0.03 -0.10 -0.04 0.93 0.21 3h13A1 LEU 431 HD23 -0.12 -0.00 -0.06 -0.04 0.89 0.67 3h13A1 ARG 432 H -0.23 0.49 -0.25 -0.55 8.46 7.93 3h13A1 ARG 432 HA -0.15 0.10 0.44 -0.75 4.34 3.97 3h13A1 ARG 432 HB2 -0.20 0.22 0.16 -0.04 1.90 2.03 3h13A1 ARG 432 HB3 -0.14 -0.01 0.00 -0.04 1.80 1.61 3h13A1 ARG 432 HG2 -0.11 0.01 0.04 -0.04 1.67 1.57 3h13A1 ARG 432 HG3 -0.16 -0.01 0.05 -0.04 1.67 1.51 3h13A1 ARG 432 HD2 -0.11 -0.02 -0.06 -0.04 3.22 3.00 3h13A1 ARG 432 HD3 -0.10 -0.01 -0.06 -0.04 3.22 3.00 3h13A1 GLN 433 H -0.13 0.56 -0.11 -0.55 8.47 8.25 3h13A1 GLN 433 HA -0.07 0.14 0.75 -0.75 4.36 4.42 3h13A1 GLN 433 HB2 -0.08 0.02 0.06 -0.04 2.15 2.10 3h13A1 GLN 433 HB3 -0.06 -0.09 0.10 -0.04 2.02 1.93 3h13A1 GLN 433 HG2 -0.08 -0.05 -0.05 -0.04 2.40 2.18 3h13A1 GLN 433 HG3 -0.11 0.26 0.14 -0.04 2.39 2.64 3h13A1 GLN 433 HE21 -0.06 -0.05 -0.02 -0.04 6.97 6.80 3h13A1 GLN 433 HE22 -0.07 0.00 -0.02 -0.04 7.69 7.56 3h13A1 GLU 434 H -0.09 0.54 -0.20 -0.55 8.60 8.30 3h13A1 GLU 434 HA -0.05 0.14 0.88 -0.75 4.29 4.51 3h13A1 GLU 434 HB2 -0.06 0.03 0.11 -0.04 2.09 2.13 3h13A1 GLU 434 HB3 -0.04 -0.09 0.13 -0.04 1.99 1.95 3h13A1 GLU 434 HG2 -0.05 0.13 -0.45 -0.04 2.34 1.93 3h13A1 GLU 434 HG3 -0.07 0.06 -0.14 -0.04 2.34 2.15 3h13A1 ARG 435 H -0.06 0.27 -0.18 -0.55 8.46 7.93 3h13A1 ARG 435 HA -0.06 0.02 0.30 -0.75 4.34 3.85 3h13A1 ARG 435 HB2 -0.03 0.11 0.13 -0.04 1.90 2.07 3h13A1 ARG 435 HB3 -0.06 0.23 0.17 -0.04 1.80 2.09 3h13A1 ARG 435 HG2 -0.04 -0.11 -0.05 -0.04 1.67 1.44 3h13A1 ARG 435 HG3 -0.02 -0.03 -0.22 -0.04 1.67 1.37 3h13A1 ARG 435 HD2 -0.02 -0.07 0.00 -0.04 3.22 3.09 3h13A1 ARG 435 HD3 -0.02 0.07 0.05 -0.04 3.22 3.28 3h13A1 LYS 436 H -0.03 -0.00 -0.64 -0.55 8.42 7.20 3h13A1 LYS 436 HA -0.02 0.17 0.52 -0.75 4.32 4.23 3h13A1 LYS 436 HB2 -0.02 -0.03 -0.05 -0.04 1.87 1.71 3h13A1 LYS 436 HB3 -0.03 -0.03 -0.00 -0.04 1.79 1.69 3h13A1 LYS 436 HG2 -0.02 0.09 -0.09 -0.04 1.46 1.40 3h13A1 LYS 436 HG3 -0.02 -0.03 -0.12 -0.04 1.46 1.25 3h13A1 LYS 436 HD2 -0.02 -0.02 -0.04 -0.04 1.69 1.56 3h13A1 LYS 436 HD3 -0.03 -0.02 -0.04 -0.04 1.68 1.55 3h13A1 LYS 436 HE2 -0.02 0.06 -0.04 -0.04 2.99 2.95 3h13A1 LYS 436 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.90 3h13A1 ARG 437 H -0.03 0.53 -0.04 -0.55 8.46 8.36 3h13A1 ARG 437 HA -0.01 0.11 0.69 -0.75 4.34 4.38 3h13A1 ARG 437 HB2 -0.02 0.07 0.05 -0.04 1.90 1.97 3h13A1 ARG 437 HB3 -0.00 -0.07 0.05 -0.04 1.80 1.73 3h13A1 ARG 437 HG2 -0.01 -0.00 -0.04 -0.04 1.67 1.58 3h13A1 ARG 437 HG3 -0.02 -0.05 -0.04 -0.04 1.67 1.53 3h13A1 ARG 437 HD2 -0.01 -0.02 -0.02 -0.04 3.22 3.13 3h13A1 ARG 437 HD3 -0.02 0.03 0.01 -0.04 3.22 3.20 3h13A1 PRO 438 HA -0.00 0.26 0.59 -0.51 4.44 4.77 3h13A1 PRO 438 HB2 0.02 -0.23 0.07 -0.04 2.28 2.10 3h13A1 PRO 438 HB3 0.01 0.06 0.06 -0.04 2.02 2.11 3h13A1 PRO 438 HG2 0.02 -0.08 0.11 -0.04 2.03 2.04 3h13A1 PRO 438 HG3 0.01 0.09 0.07 -0.04 2.03 2.16 3h13A1 PRO 438 HD2 0.00 0.07 0.23 -0.04 3.68 3.94 3h13A1 PRO 438 HD3 -0.00 0.26 0.12 -0.04 3.65 3.99 3h13A1 LEU 439 H -0.04 0.73 0.39 -0.55 8.37 8.90 3h13A1 LEU 439 HA -0.04 0.12 0.37 -0.75 4.35 4.05 3h13A1 LEU 439 HB2 -0.15 0.09 0.09 -0.04 1.64 1.64 3h13A1 LEU 439 HB3 -0.25 -0.04 0.14 -0.04 1.64 1.45 3h13A1 LEU 439 HG -0.46 -0.07 -0.25 -0.04 1.64 0.82 3h13A1 LEU 439 HD13 0.03 0.00 -0.01 -0.04 0.93 0.91 3h13A1 LEU 439 HD23 -0.99 0.01 -0.08 -0.04 0.89 -0.21 3h13A1 LEU 440 H 0.00 0.15 -0.13 -0.55 8.37 7.85 3h13A1 LEU 440 HA 0.22 0.05 0.35 -0.75 4.35 4.22 3h13A1 LEU 440 HB2 0.03 0.01 0.10 -0.04 1.64 1.73 3h13A1 LEU 440 HB3 0.06 0.03 -0.02 -0.04 1.64 1.67 3h13A1 LEU 440 HG 0.10 0.01 -0.08 -0.04 1.64 1.63 3h13A1 LEU 440 HD13 0.10 -0.00 -0.01 -0.04 0.93 0.98 3h13A1 LEU 440 HD23 0.03 0.02 -0.03 -0.04 0.89 0.86 3h13A1 ASP 441 H 0.05 0.20 -0.29 -0.55 8.40 7.82 3h13A1 ASP 441 HA 0.07 0.04 0.46 -0.75 4.63 4.45 3h13A1 ASP 441 HB2 0.03 0.19 0.05 -0.04 2.71 2.93 3h13A1 ASP 441 HB3 0.03 0.00 0.00 -0.04 2.70 2.69 3h13A1 LEU 442 H 0.05 0.50 -0.25 -0.55 8.37 8.11 3h13A1 LEU 442 HA 0.01 0.04 0.40 -0.75 4.35 4.04 3h13A1 LEU 442 HB2 0.02 0.14 0.07 -0.04 1.64 1.83 3h13A1 LEU 442 HB3 -0.04 -0.09 -0.07 -0.04 1.64 1.39 3h13A1 LEU 442 HG -0.01 0.16 -0.18 -0.04 1.64 1.57 3h13A1 LEU 442 HD13 -0.07 0.01 -0.26 -0.04 0.93 0.58 3h13A1 LEU 442 HD23 -0.04 -0.01 -0.07 -0.04 0.89 0.72 3h13A1 HIS 443 H 0.22 0.55 -0.16 -0.55 8.41 8.46 3h13A1 HIS 443 HA 0.11 -0.00 0.37 -0.75 4.63 4.35 3h13A1 HIS 443 HB2 0.29 0.12 0.06 -0.04 3.26 3.70 3h13A1 HIS 443 HB3 0.20 0.09 0.03 -0.04 3.20 3.48 3h13A1 HIS 443 HD2 0.51 0.03 -0.07 -0.04 6.97 7.40 3h13A1 HIS 443 HE1 0.11 -0.01 -0.18 -0.04 7.75 7.62 3h13A1 ILE 444 H 0.17 0.40 -0.36 -0.55 8.25 7.91 3h13A1 ILE 444 HA 0.18 0.01 0.41 -0.75 4.18 4.03 3h13A1 ILE 444 HB 0.09 0.21 0.17 -0.04 1.89 2.32 3h13A1 ILE 444 HG12 0.13 0.29 0.10 -0.04 1.49 1.97 3h13A1 ILE 444 HG13 0.09 -0.03 0.01 -0.04 1.21 1.24 3h13A1 ILE 444 HG23 0.09 -0.02 -0.13 -0.04 0.93 0.83 3h13A1 ILE 444 HD13 0.13 -0.02 0.00 -0.04 0.88 0.94 3h13A1 GLU 445 H 0.07 0.48 -0.15 -0.55 8.60 8.45 3h13A1 GLU 445 HA 0.08 0.01 0.46 -0.75 4.29 4.08 3h13A1 GLU 445 HB2 0.01 0.13 0.11 -0.04 2.09 2.30 3h13A1 GLU 445 HB3 0.04 -0.04 0.04 -0.04 1.99 1.98 3h13A1 GLU 445 HG2 0.04 -0.07 0.03 -0.04 2.34 2.31 3h13A1 GLU 445 HG3 0.04 0.38 0.16 -0.04 2.34 2.88 3h13A1 LEU 446 H -0.01 0.57 -0.21 -0.55 8.37 8.17 3h13A1 LEU 446 HA -0.05 -0.00 0.39 -0.75 4.35 3.93 3h13A1 LEU 446 HB2 -0.18 0.06 0.02 -0.04 1.64 1.49 3h13A1 LEU 446 HB3 -0.25 0.16 0.12 -0.04 1.64 1.62 3h13A1 LEU 446 HG -0.14 -0.07 -0.02 -0.04 1.64 1.37 3h13A1 LEU 446 HD13 -0.31 -0.00 -0.11 -0.04 0.93 0.46 3h13A1 LEU 446 HD23 -0.07 -0.01 -0.27 -0.04 0.89 0.50 3h13A1 ASN 447 H 0.08 0.56 -0.25 -0.55 8.53 8.38 3h13A1 ASN 447 HA 0.10 -0.05 0.34 -0.75 4.76 4.40 3h13A1 ASN 447 HB2 0.20 0.30 0.25 -0.04 2.88 3.59 3h13A1 ASN 447 HB3 0.33 -0.06 -0.01 -0.04 2.79 3.01 3h13A1 ASN 447 HD21 0.21 -0.04 -0.02 -0.04 7.03 7.14 3h13A1 ASN 447 HD22 0.20 0.00 0.05 -0.04 7.74 7.95 3h13A1 GLY 448 H 0.17 0.55 -0.08 -0.55 8.43 8.53 3h13A1 GLY 448 HA2 0.25 -0.01 0.41 -0.51 4.01 4.15 3h13A1 GLY 448 HA3 0.15 0.07 0.32 -0.51 4.01 4.04 3h13A1 TYR 449 H 0.23 0.64 -0.17 -0.55 8.29 8.44 3h13A1 TYR 449 HA 0.08 0.00 0.44 -0.75 4.56 4.32 3h13A1 TYR 449 HB2 0.01 0.07 0.11 -0.04 3.06 3.21 3h13A1 TYR 449 HB3 -0.01 0.12 0.19 -0.04 2.98 3.24 3h13A1 TYR 449 HD2 -0.03 0.02 -0.16 -0.04 7.15 6.94 3h13A1 TYR 449 HE2 -0.12 -0.02 -0.05 -0.04 6.85 6.63 3h13A1 MET 450 H 0.21 0.72 -0.03 -0.55 8.47 8.82 3h13A1 MET 450 HA 0.22 -0.03 0.46 -0.75 4.52 4.42 3h13A1 MET 450 HB2 0.02 0.13 0.15 -0.04 2.15 2.41 3h13A1 MET 450 HB3 0.05 0.01 0.05 -0.04 2.03 2.10 3h13A1 MET 450 HG2 0.10 0.20 0.01 -0.04 2.63 2.89 3h13A1 MET 450 HG3 0.06 -0.08 -0.07 -0.04 2.56 2.43 3h13A1 MET 450 HE3 0.07 0.02 -0.18 -0.04 2.10 1.97 3h13A1 TYR 451 H 0.22 0.60 -0.09 -0.55 8.29 8.47 3h13A1 TYR 451 HA 0.08 0.01 0.52 -0.75 4.56 4.42 3h13A1 TYR 451 HB2 0.08 0.12 0.19 -0.04 3.06 3.41 3h13A1 TYR 451 HB3 0.06 -0.03 -0.03 -0.04 2.98 2.93 3h13A1 TYR 451 HD2 0.08 0.04 -0.07 -0.04 7.15 7.16 3h13A1 TYR 451 HE2 0.10 -0.02 0.01 -0.04 6.85 6.89 3h13A1 ASP 452 H 0.16 0.51 -0.15 -0.55 8.40 8.38 3h13A1 ASP 452 HA 0.07 0.03 0.46 -0.75 4.63 4.43 3h13A1 ASP 452 HB2 0.05 0.06 0.14 -0.04 2.71 2.92 3h13A1 ASP 452 HB3 -0.02 0.09 0.16 -0.04 2.70 2.88 3h13A1 TRP 453 H 0.18 0.47 -0.10 -0.55 7.97 7.98 3h13A1 TRP 453 HA -0.07 0.03 0.39 -0.75 4.62 4.22 3h13A1 TRP 453 HB2 -0.12 -0.01 0.11 -0.04 3.23 3.16 3h13A1 TRP 453 HB3 -0.01 0.07 0.22 -0.04 3.23 3.47 3h13A1 TRP 453 HD1 0.11 -0.04 -0.03 -0.04 7.22 7.22 3h13A1 TRP 453 HE1 0.03 0.50 0.04 -0.04 10.20 10.73 3h13A1 TRP 453 HE3 -0.04 0.02 0.01 -0.04 7.59 7.54 3h13A1 TRP 453 HZ2 0.08 0.02 0.02 -0.04 7.44 7.51 3h13A1 TRP 453 HZ3 0.02 0.01 -0.02 -0.04 7.13 7.10 3h13A1 TRP 453 HH2 0.05 -0.01 -0.01 -0.04 7.19 7.18 3h13A1 ASN 454 H 0.19 0.61 -0.11 -0.55 8.53 8.68 3h13A1 ASN 454 HA -0.22 -0.05 0.33 -0.75 4.76 4.07 3h13A1 ASN 454 HB2 0.05 0.14 0.22 -0.04 2.88 3.25 3h13A1 ASN 454 HB3 -0.03 -0.05 0.03 -0.04 2.79 2.70 3h13A1 ASN 454 HD21 -0.39 0.44 0.13 -0.04 7.03 7.17 3h13A1 ASN 454 HD22 -0.18 -0.05 0.05 -0.04 7.74 7.52 3h13A1 SER 455 H -0.00 0.40 -0.39 -0.55 8.46 7.92 3h13A1 SER 455 HA -0.03 0.02 0.48 -0.75 4.49 4.21 3h13A1 SER 455 HB2 -0.00 -0.09 0.13 -0.04 3.95 3.95 3h13A1 SER 455 HB3 0.04 0.04 0.14 -0.04 3.93 4.10 3h13A1 ARG 456 H -0.25 0.46 -0.35 -0.55 8.46 7.77 3h13A1 ARG 456 HA -0.14 0.16 0.95 -0.75 4.34 4.56 3h13A1 ARG 456 HB2 -0.31 0.05 0.07 -0.04 1.90 1.67 3h13A1 ARG 456 HB3 -0.17 -0.10 0.15 -0.04 1.80 1.65 3h13A1 ARG 456 HG2 -0.07 -0.05 -0.04 -0.04 1.67 1.46 3h13A1 ARG 456 HG3 -0.09 0.12 -0.07 -0.04 1.67 1.59 3h13A1 ARG 456 HD2 -0.06 -0.00 -0.02 -0.04 3.22 3.10 3h13A1 ARG 456 HD3 -0.05 -0.07 -0.01 -0.04 3.22 3.05 3h13A1 VAL 457 H -0.36 0.33 -0.12 -0.55 8.24 7.54 3h13A1 VAL 457 HA -0.27 0.20 1.06 -0.75 4.13 4.36 3h13A1 VAL 457 HB -0.38 -0.17 0.10 -0.04 2.12 1.63 3h13A1 VAL 457 HG13 -1.29 0.03 -0.19 -0.04 0.97 -0.52 3h13A1 VAL 457 HG23 -0.60 0.07 -0.24 -0.04 0.95 0.13 3h13A1 SER 458 H -0.14 0.08 0.14 -0.55 8.46 7.99 3h13A1 SER 458 HA -0.06 0.17 0.52 -0.75 4.49 4.35 3h13A1 SER 458 HB2 -0.03 -0.05 0.12 -0.04 3.95 3.95 3h13A1 SER 458 HB3 -0.05 0.10 0.12 -0.04 3.93 4.06 3h13A1 ALA 459 H -0.02 0.17 0.18 -0.55 8.40 8.19 3h13A1 ALA 459 HA 0.02 0.15 0.37 -0.75 4.34 4.12 3h13A1 ALA 459 HB3 0.03 0.01 0.13 -0.04 1.41 1.53 3h13A1 LYS 460 H 0.00 0.07 -0.21 -0.55 8.42 7.72 3h13A1 LYS 460 HA 0.03 0.06 0.49 -0.75 4.32 4.15 3h13A1 LYS 460 HB2 0.02 0.02 0.04 -0.04 1.87 1.90 3h13A1 LYS 460 HB3 0.03 0.00 0.03 -0.04 1.79 1.80 3h13A1 LYS 460 HG2 0.03 -0.04 0.06 -0.04 1.46 1.48 3h13A1 LYS 460 HG3 0.02 -0.00 0.04 -0.04 1.46 1.48 3h13A1 LYS 460 HD2 0.02 0.06 0.01 -0.04 1.69 1.74 3h13A1 LYS 460 HD3 0.03 -0.04 0.02 -0.04 1.68 1.65 3h13A1 LYS 460 HE2 0.03 -0.08 0.05 -0.04 2.99 2.95 3h13A1 LYS 460 HE3 0.02 0.04 0.02 -0.04 2.99 3.03 3h13A1 GLU 461 H -0.02 0.55 -0.28 -0.55 8.60 8.30 3h13A1 GLU 461 HA 0.03 0.11 0.79 -0.75 4.29 4.46 3h13A1 GLU 461 HB2 -0.05 0.09 0.04 -0.04 2.09 2.13 3h13A1 GLU 461 HB3 0.28 -0.00 0.11 -0.04 1.99 2.33 3h13A1 GLU 461 HG2 0.13 0.03 -0.01 -0.04 2.34 2.46 3h13A1 GLU 461 HG3 0.04 -0.12 -0.10 -0.04 2.34 2.12 3h13A1 LYS 462 H -0.06 0.29 -0.26 -0.55 8.42 7.84 3h13A1 LYS 462 HA 0.07 0.09 0.48 -0.75 4.32 4.21 3h13A1 LYS 462 HB2 -0.12 0.08 0.09 -0.04 1.87 1.88 3h13A1 LYS 462 HB3 -0.48 -0.02 0.02 -0.04 1.79 1.27 3h13A1 LYS 462 HG2 -0.14 0.01 0.01 -0.04 1.46 1.30 3h13A1 LYS 462 HG3 -0.09 0.07 -0.13 -0.04 1.46 1.26 3h13A1 LYS 462 HD2 0.08 -0.09 0.03 -0.04 1.69 1.67 3h13A1 LYS 462 HD3 -0.02 -0.04 0.00 -0.04 1.68 1.58 3h13A1 LYS 462 HE2 -0.08 0.53 0.08 -0.04 2.99 3.48 3h13A1 LYS 462 HE3 -0.05 -0.09 -0.24 -0.04 2.99 2.57 3h13A1 TYR 463 H -0.03 0.26 0.20 -0.55 8.29 8.17 3h13A1 TYR 463 HA -0.12 0.25 1.00 -0.75 4.56 4.93 3h13A1 TYR 463 HB2 -0.04 0.01 0.12 -0.04 3.06 3.10 3h13A1 TYR 463 HB3 -0.09 -0.04 -0.03 -0.04 2.98 2.78 3h13A1 TYR 463 HD2 -0.11 0.05 -0.03 -0.04 7.15 7.02 3h13A1 TYR 463 HE2 -0.20 0.05 0.02 -0.04 6.85 6.67 3h13A1 TYR 464 H 0.07 0.65 0.32 -0.55 8.29 8.78 3h13A1 TYR 464 HA -0.00 0.16 0.92 -0.75 4.56 4.88 3h13A1 TYR 464 HB2 -0.00 -0.04 0.19 -0.04 3.06 3.16 3h13A1 TYR 464 HB3 0.02 0.03 0.02 -0.04 2.98 3.00 3h13A1 TYR 464 HD2 -0.01 0.04 -0.04 -0.04 7.15 7.10 3h13A1 TYR 464 HE2 0.00 0.02 -0.07 -0.04 6.85 6.77 3h13A1 VAL 465 H 0.06 0.24 0.17 -0.55 8.24 8.16 3h13A1 VAL 465 HA 0.04 0.29 1.21 -0.75 4.13 4.93 3h13A1 VAL 465 HB 0.07 0.02 0.09 -0.04 2.12 2.26 3h13A1 VAL 465 HG13 0.18 -0.01 -0.24 -0.04 0.97 0.86 3h13A1 VAL 465 HG23 -0.02 -0.00 -0.21 -0.04 0.95 0.67 3h13A1 TRP 466 H 0.25 0.83 0.40 -0.55 7.97 8.90 3h13A1 TRP 466 HA 0.07 0.16 0.96 -0.75 4.62 5.05 3h13A1 TRP 466 HB2 0.05 -0.02 0.01 -0.04 3.23 3.22 3h13A1 TRP 466 HB3 0.06 -0.03 0.19 -0.04 3.23 3.41 3h13A1 TRP 466 HD1 0.04 0.02 0.05 -0.04 7.22 7.28 3h13A1 TRP 466 HE1 0.01 0.01 -0.01 -0.04 10.20 10.17 3h13A1 TRP 466 HE3 0.27 -0.06 -0.09 -0.04 7.59 7.67 3h13A1 TRP 466 HZ2 -0.04 0.02 -0.02 -0.04 7.44 7.35 3h13A1 TRP 466 HZ3 0.13 -0.03 -0.10 -0.04 7.13 7.09 3h13A1 TRP 466 HH2 -0.16 0.00 0.03 -0.04 7.19 7.03 3h13A1 LEU 467 H -0.34 0.23 0.19 -0.55 8.37 7.91 3h13A1 LEU 467 HA -0.43 0.35 1.23 -0.75 4.35 4.75 3h13A1 LEU 467 HB2 -0.36 -0.02 -0.07 -0.04 1.64 1.14 3h13A1 LEU 467 HB3 -0.22 -0.00 0.08 -0.04 1.64 1.46 3h13A1 LEU 467 HG -0.38 -0.01 -0.43 -0.04 1.64 0.79 3h13A1 LEU 467 HD13 -1.13 0.04 -0.13 -0.04 0.93 -0.33 3h13A1 LEU 467 HD23 -0.29 -0.01 -0.09 -0.04 0.89 0.45 3h13A1 GLN 468 H -0.55 0.69 0.33 -0.55 8.47 8.41 3h13A1 GLN 468 HA -0.53 0.14 0.83 -0.75 4.36 4.04 3h13A1 GLN 468 HB2 -1.96 -0.04 -0.13 -0.04 2.15 -0.02 3h13A1 GLN 468 HB3 -0.52 -0.02 0.09 -0.04 2.02 1.52 3h13A1 GLN 468 HG2 -0.14 -0.04 -0.01 -0.04 2.40 2.16 3h13A1 GLN 468 HG3 -0.25 0.05 -0.04 -0.04 2.39 2.11 3h13A1 GLN 468 HE21 -0.10 -0.00 0.06 -0.04 6.97 6.89 3h13A1 GLN 468 HE22 -0.13 0.04 0.04 -0.04 7.69 7.59 3h13A1 HIS 469 H -0.40 0.28 0.21 -0.55 8.41 7.96 3h13A1 HIS 469 HA -0.04 0.18 0.54 -0.75 4.63 4.55 3h13A1 HIS 469 HB2 0.08 0.16 0.37 -0.04 3.26 3.83 3h13A1 HIS 469 HB3 -0.34 -0.06 -0.08 -0.04 3.20 2.68 3h13A1 HIS 469 HD2 -0.16 -0.02 -0.11 -0.04 6.97 6.63 3h13A1 HIS 469 HE1 0.06 0.10 -0.05 -0.04 7.75 7.82 3h13A1 THR 470 H 0.27 0.69 0.27 -0.55 8.28 8.95 3h13A1 THR 470 HA 0.06 0.22 0.84 -0.75 4.39 4.75 3h13A1 THR 470 HB 0.11 -0.05 0.26 -0.04 4.32 4.59 3h13A1 THR 470 HG23 0.01 -0.00 -0.14 -0.04 1.22 1.04 3h13A1 LEU 471 H 0.72 0.06 -0.00 -0.55 8.37 8.60 3h13A1 LEU 471 HA 0.33 0.02 0.49 -0.75 4.35 4.44 3h13A1 LEU 471 HB2 0.18 -0.01 0.04 -0.04 1.64 1.81 3h13A1 LEU 471 HB3 0.31 0.11 0.08 -0.04 1.64 2.10 3h13A1 LEU 471 HG 0.17 -0.04 0.06 -0.04 1.64 1.79 3h13A1 LEU 471 HD13 0.01 0.00 0.02 -0.04 0.93 0.92 3h13A1 LEU 471 HD23 0.12 -0.00 -0.17 -0.04 0.89 0.80 3h13A1 ARG 472 H 0.32 0.09 0.24 -0.55 8.46 8.55 3h13A1 ARG 472 HA 0.08 0.20 0.85 -0.75 4.34 4.72 3h13A1 ARG 472 HB2 0.01 0.03 0.03 -0.04 1.90 1.93 3h13A1 ARG 472 HB3 0.01 0.00 0.12 -0.04 1.80 1.90 3h13A1 ARG 472 HG2 0.09 0.04 -0.06 -0.04 1.67 1.70 3h13A1 ARG 472 HG3 0.15 -0.00 -0.03 -0.04 1.67 1.74 3h13A1 ARG 472 HD2 0.06 -0.01 0.02 -0.04 3.22 3.26 3h13A1 ARG 472 HD3 0.09 -0.01 0.02 -0.04 3.22 3.29 3h13A1 LYS 473 H -0.02 0.08 0.13 -0.55 8.42 8.05 3h13A1 LYS 473 HA -0.12 0.20 0.66 -0.75 4.32 4.30 3h13A1 LYS 473 HB2 -1.12 -0.02 -0.19 -0.04 1.87 0.50 3h13A1 LYS 473 HB3 -0.30 0.03 -0.38 -0.04 1.79 1.09 3h13A1 LYS 473 HG2 -0.24 0.13 -0.22 -0.04 1.46 1.09 3h13A1 LYS 473 HG3 -0.56 -0.14 -0.45 -0.04 1.46 0.26 3h13A1 LYS 473 HD2 -0.67 -0.00 -0.24 -0.04 1.69 0.74 3h13A1 LYS 473 HD3 -0.24 -0.01 -0.27 -0.04 1.68 1.12 3h13A1 LYS 473 HE2 -0.12 -0.01 -0.05 -0.04 2.99 2.77 3h13A1 LYS 473 HE3 -0.17 -0.01 -0.06 -0.04 2.99 2.71 3h13A1 LYS 474 H -0.05 0.64 0.25 -0.55 8.42 8.70 3h13A1 LYS 474 HA 0.05 -0.04 0.50 -0.75 4.32 4.08 3h13A1 LYS 474 HB2 0.01 0.00 0.14 -0.04 1.87 1.98 3h13A1 LYS 474 HB3 0.00 0.12 0.23 -0.04 1.79 2.10 3h13A1 LYS 474 HG2 0.02 0.02 -0.26 -0.04 1.46 1.20 3h13A1 LYS 474 HG3 0.03 -0.12 0.00 -0.04 1.46 1.33 3h13A1 LYS 474 HD2 0.00 0.06 -0.03 -0.04 1.69 1.68 3h13A1 LYS 474 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 3h13A1 LYS 474 HE2 0.02 -0.07 0.02 -0.04 2.99 2.91 3h13A1 LYS 474 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 3h13A1 LEU 475 H 0.08 0.05 0.23 -0.55 8.37 8.19 3h13A1 LEU 475 HA 0.19 0.25 1.03 -0.75 4.35 5.07 3h13A1 LEU 475 HB2 0.17 0.08 0.01 -0.04 1.64 1.85 3h13A1 LEU 475 HB3 0.00 -0.16 0.21 -0.04 1.64 1.65 3h13A1 LEU 475 HG -0.09 -0.10 -0.24 -0.04 1.64 1.18 3h13A1 LEU 475 HD13 -0.07 0.05 -0.06 -0.04 0.93 0.81 3h13A1 LEU 475 HD23 -0.25 -0.01 -0.07 -0.04 0.89 0.53 3h13A1 ILE 476 H 0.07 0.40 0.15 -0.55 8.25 8.32 3h13A1 ILE 476 HA 0.00 0.05 0.84 -0.75 4.18 4.32 3h13A1 ILE 476 HB 0.02 0.06 0.09 -0.04 1.89 2.01 3h13A1 ILE 476 HG12 0.00 -0.02 -0.36 -0.04 1.49 1.07 3h13A1 ILE 476 HG13 0.02 -0.23 -0.54 -0.04 1.21 0.42 3h13A1 ILE 476 HG23 -0.01 0.05 -0.26 -0.04 0.93 0.67 3h13A1 ILE 476 HD13 -0.01 0.04 -0.08 -0.04 0.88 0.79 3h13A1 LEU 477 H 0.01 0.16 0.05 -0.55 8.37 8.04 3h13A1 LEU 477 HA 0.08 0.13 0.58 -0.75 4.35 4.38 3h13A1 LEU 477 HB2 0.04 0.05 0.20 -0.04 1.64 1.89 3h13A1 LEU 477 HB3 0.19 0.02 0.11 -0.04 1.64 1.93 3h13A1 LEU 477 HG 0.00 -0.07 -0.01 -0.04 1.64 1.53 3h13A1 LEU 477 HD13 0.14 -0.01 -0.07 -0.04 0.93 0.95 3h13A1 LEU 477 HD23 0.06 -0.01 -0.22 -0.04 0.89 0.68 3h13A1 SER 478 H 0.05 0.65 0.01 -0.55 8.46 8.62 3h13A1 SER 478 HA 0.04 0.09 0.36 -0.75 4.49 4.23 3h13A1 SER 478 HB2 0.03 -0.09 0.11 -0.04 3.95 3.95 3h13A1 SER 478 HB3 0.02 0.21 0.00 -0.04 3.93 4.12 3h13A1 TYR 479 H 0.13 0.10 0.07 -0.55 8.29 8.05 3h13A1 TYR 479 HA 0.00 0.31 0.78 -0.75 4.56 4.90 3h13A1 TYR 479 HB2 -0.01 0.14 0.13 -0.04 3.06 3.28 3h13A1 TYR 479 HB3 -0.01 -0.05 0.14 -0.04 2.98 3.02 3h13A1 TYR 479 HD2 0.00 0.07 0.06 -0.04 7.15 7.24 3h13A1 TYR 479 HE2 0.00 -0.04 0.02 -0.04 6.85 6.79