============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 2 0.840 38.877 15.971 -21.666 -99.200 -91.000 HIS 3 0.900 35.204 10.119 -15.066 -99.200 -91.000 PHE 7 1.000 38.156 12.190 -1.154 -99.200 -91.000 TRP 51 1.040 33.064 21.114 9.408 -99.200 -91.000 TRP6 51 1.020 32.638 22.582 7.615 -99.200 -91.000 PHE 54 1.000 35.801 18.558 -1.374 -99.200 -91.000 PHE 72 1.000 34.554 42.338 4.193 -99.200 -91.000 TRP 75 1.040 36.272 34.208 -2.654 -99.200 -91.000 TRP6 75 1.020 37.964 32.587 -2.383 -99.200 -91.000 TYR 86 0.840 23.836 29.842 -5.545 -99.200 -91.000 PHE 90 1.000 30.945 37.328 4.959 -99.200 -91.000 PHE 92 1.000 36.059 38.435 8.057 -99.200 -91.000 HIS 96 0.900 41.147 40.287 0.961 -99.200 -91.000 HIS 99 0.900 43.959 30.881 0.113 -99.200 -91.000 TRP 100 1.040 43.498 39.724 -2.328 -99.200 -91.000 TRP6 100 1.020 42.872 41.476 -3.776 -99.200 -91.000 TYR 168 0.840 18.676 21.081 -23.079 -99.200 -91.000 TYR 171 0.840 12.943 26.657 -12.452 -99.200 -91.000 HIS 172 0.900 14.179 26.885 -19.897 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h15A1 GLN 235 HA -0.21 -0.07 -0.12 -0.75 4.36 3.20 3h15A1 GLN 235 HB2 -0.15 -0.06 0.09 -0.04 2.15 1.99 3h15A1 GLN 235 HB3 -0.33 0.00 -0.04 -0.04 2.02 1.62 3h15A1 GLN 235 HG2 -0.62 0.00 0.05 -0.04 2.40 1.79 3h15A1 GLN 235 HG3 -0.27 -0.02 0.05 -0.04 2.39 2.12 3h15A1 GLN 235 HE21 -0.07 0.02 0.01 -0.04 6.97 6.90 3h15A1 GLN 235 HE22 -0.13 0.02 0.02 -0.04 7.69 7.56 3h15A1 TYR 236 H 0.00 0.31 0.10 -0.55 8.29 8.15 3h15A1 TYR 236 HA 0.02 0.13 0.64 -0.75 4.56 4.60 3h15A1 TYR 236 HB2 0.02 0.00 0.01 -0.04 3.06 3.04 3h15A1 TYR 236 HB3 0.03 -0.16 0.13 -0.04 2.98 2.94 3h15A1 TYR 236 HD2 0.01 -0.05 -0.03 -0.04 7.15 7.04 3h15A1 TYR 236 HE2 -0.00 -0.03 -0.03 -0.04 6.85 6.75 3h15A1 HIS 237 H 0.30 0.10 0.09 -0.55 8.41 8.36 3h15A1 HIS 237 HA 0.04 -0.01 0.20 -0.75 4.63 4.11 3h15A1 HIS 237 HB2 0.04 -0.01 0.12 -0.04 3.26 3.37 3h15A1 HIS 237 HB3 0.02 0.07 0.02 -0.04 3.20 3.27 3h15A1 HIS 237 HD2 -0.01 0.03 -0.03 -0.04 6.97 6.92 3h15A1 HIS 237 HE1 -0.01 0.06 -0.00 -0.04 7.75 7.75 3h15A1 VAL 238 H -1.24 0.06 0.01 -0.55 8.24 6.52 3h15A1 VAL 238 HA -0.19 -0.01 -0.15 -0.75 4.13 3.02 3h15A1 VAL 238 HB -0.65 -0.01 -0.06 -0.04 2.12 1.35 3h15A1 VAL 238 HG13 -0.18 -0.03 -0.43 -0.04 0.97 0.29 3h15A1 VAL 238 HG23 -0.20 -0.01 -0.15 -0.04 0.95 0.55 3h15A1 GLU 239 H -0.14 0.56 0.12 -0.55 8.60 8.60 3h15A1 GLU 239 HA -0.10 0.15 0.84 -0.75 4.29 4.43 3h15A1 GLU 239 HB2 -0.08 0.13 0.18 -0.04 2.09 2.28 3h15A1 GLU 239 HB3 -0.12 -0.19 0.14 -0.04 1.99 1.78 3h15A1 GLU 239 HG2 -0.03 0.06 0.11 -0.04 2.34 2.43 3h15A1 GLU 239 HG3 -0.04 0.08 0.02 -0.04 2.34 2.36 3h15A1 LYS 240 H -0.13 0.19 0.14 -0.55 8.42 8.06 3h15A1 LYS 240 HA -0.21 0.10 0.15 -0.75 4.32 3.60 3h15A1 LYS 240 HB2 -0.22 0.03 0.12 -0.04 1.87 1.76 3h15A1 LYS 240 HB3 -0.45 -0.04 0.11 -0.04 1.79 1.36 3h15A1 LYS 240 HG2 -0.61 0.04 -0.20 -0.04 1.46 0.65 3h15A1 LYS 240 HG3 -0.29 0.01 0.00 -0.04 1.46 1.14 3h15A1 LYS 240 HD2 -0.31 -0.01 -0.01 -0.04 1.69 1.32 3h15A1 LYS 240 HD3 -1.15 -0.00 -0.06 -0.04 1.68 0.42 3h15A1 LYS 240 HE2 -0.42 0.02 -0.05 -0.04 2.99 2.50 3h15A1 LYS 240 HE3 -0.22 -0.00 -0.02 -0.04 2.99 2.71 3h15A1 PHE 241 H -0.08 0.03 -0.17 -0.55 8.34 7.57 3h15A1 PHE 241 HA -0.10 0.20 0.34 -0.75 4.62 4.30 3h15A1 PHE 241 HB2 -0.26 -0.05 0.00 -0.04 3.15 2.80 3h15A1 PHE 241 HB3 -0.18 0.05 -0.09 -0.04 3.06 2.81 3h15A1 PHE 241 HD2 0.03 -0.02 -0.05 -0.04 7.28 7.20 3h15A1 PHE 241 HE2 0.04 -0.00 -0.12 -0.04 7.38 7.25 3h15A1 PHE 241 HZ 0.03 0.03 -0.06 -0.04 7.32 7.28 3h15A1 SER 242 H -0.29 0.01 -0.13 -0.55 8.46 7.50 3h15A1 SER 242 HA -0.39 0.19 0.67 -0.75 4.49 4.20 3h15A1 SER 242 HB2 -0.21 0.03 -0.04 -0.04 3.95 3.69 3h15A1 SER 242 HB3 -0.75 0.01 -0.08 -0.04 3.93 3.07 3h15A1 GLY 243 H -0.16 0.34 -0.15 -0.55 8.43 7.91 3h15A1 GLY 243 HA2 -0.12 0.07 0.20 -0.51 4.01 3.66 3h15A1 GLY 243 HA3 -0.08 0.08 0.40 -0.51 4.01 3.90 3h15A1 LEU 244 H -0.12 0.06 -0.15 -0.55 8.37 7.61 3h15A1 LEU 244 HA -0.07 0.19 0.78 -0.75 4.35 4.50 3h15A1 LEU 244 HB2 -0.08 -0.07 -0.17 -0.04 1.64 1.29 3h15A1 LEU 244 HB3 -0.06 0.02 -0.21 -0.04 1.64 1.35 3h15A1 LEU 244 HG -0.04 -0.07 -0.10 -0.04 1.64 1.39 3h15A1 LEU 244 HD13 -0.04 0.16 -0.29 -0.04 0.93 0.71 3h15A1 LEU 244 HD23 -0.02 -0.01 -0.20 -0.04 0.89 0.62 3h15A1 ARG 245 H -0.06 0.15 0.03 -0.55 8.46 8.03 3h15A1 ARG 245 HA -0.08 0.19 0.87 -0.75 4.34 4.56 3h15A1 ARG 245 HB2 -0.05 0.19 -0.49 -0.04 1.90 1.51 3h15A1 ARG 245 HB3 -0.07 -0.09 -0.37 -0.04 1.80 1.23 3h15A1 ARG 245 HG2 -0.05 -0.11 -0.02 -0.04 1.67 1.45 3h15A1 ARG 245 HG3 -0.09 0.09 -0.29 -0.04 1.67 1.35 3h15A1 ARG 245 HD2 0.05 -0.05 -0.24 -0.04 3.22 2.94 3h15A1 ARG 245 HD3 0.02 -0.02 -0.13 -0.04 3.22 3.04 3h15A1 ILE 246 H -0.06 0.29 0.03 -0.55 8.25 7.96 3h15A1 ILE 246 HA -0.06 0.29 0.83 -0.75 4.18 4.48 3h15A1 ILE 246 HB -0.04 -0.03 0.05 -0.04 1.89 1.83 3h15A1 ILE 246 HG12 -0.04 0.03 -0.41 -0.04 1.49 1.02 3h15A1 ILE 246 HG13 -0.06 -0.15 -0.65 -0.04 1.21 0.32 3h15A1 ILE 246 HG23 -0.03 0.05 -0.39 -0.04 0.93 0.52 3h15A1 ILE 246 HD13 -0.04 -0.01 -0.14 -0.04 0.88 0.65 3h15A1 ARG 247 H -0.07 0.27 0.23 -0.55 8.46 8.34 3h15A1 ARG 247 HA -0.08 0.23 0.68 -0.75 4.34 4.42 3h15A1 ARG 247 HB2 -0.10 0.01 0.12 -0.04 1.90 1.89 3h15A1 ARG 247 HB3 -0.07 -0.05 0.14 -0.04 1.80 1.78 3h15A1 ARG 247 HG2 -0.05 -0.02 -0.21 -0.04 1.67 1.35 3h15A1 ARG 247 HG3 -0.05 -0.00 -0.00 -0.04 1.67 1.57 3h15A1 ARG 247 HD2 -0.04 -0.01 -0.02 -0.04 3.22 3.11 3h15A1 ARG 247 HD3 -0.07 0.01 0.02 -0.04 3.22 3.14 3h15A1 LYS 248 H -0.03 0.17 0.23 -0.55 8.42 8.23 3h15A1 LYS 248 HA -0.01 0.03 0.42 -0.75 4.32 4.00 3h15A1 LYS 248 HB2 -0.03 -0.00 -0.25 -0.04 1.87 1.55 3h15A1 LYS 248 HB3 -0.02 0.02 0.16 -0.04 1.79 1.91 3h15A1 LYS 248 HG2 -0.01 0.02 0.05 -0.04 1.46 1.48 3h15A1 LYS 248 HG3 -0.02 -0.01 0.09 -0.04 1.46 1.48 3h15A1 LYS 248 HD2 -0.03 -0.02 -0.06 -0.04 1.69 1.55 3h15A1 LYS 248 HD3 -0.02 0.00 -0.00 -0.04 1.68 1.62 3h15A1 LYS 248 HE2 -0.02 -0.01 0.01 -0.04 2.99 2.93 3h15A1 LYS 248 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 3h15A1 PRO 249 HA -0.01 0.26 0.51 -0.51 4.44 4.69 3h15A1 PRO 249 HB2 0.00 -0.05 -0.05 -0.04 2.28 2.14 3h15A1 PRO 249 HB3 -0.00 -0.01 0.13 -0.04 2.02 2.09 3h15A1 PRO 249 HG2 -0.00 -0.02 0.11 -0.04 2.03 2.07 3h15A1 PRO 249 HG3 -0.02 0.13 0.10 -0.04 2.03 2.20 3h15A1 PRO 249 HD2 -0.00 0.02 0.21 -0.04 3.68 3.86 3h15A1 PRO 249 HD3 -0.02 0.19 0.18 -0.04 3.65 3.96 3h15A1 ARG 250 H 0.01 0.22 0.25 -0.55 8.46 8.38 3h15A1 ARG 250 HA 0.01 0.17 0.69 -0.75 4.34 4.45 3h15A1 ARG 250 HB2 0.01 -0.02 -0.31 -0.04 1.90 1.54 3h15A1 ARG 250 HB3 0.02 0.14 -0.02 -0.04 1.80 1.89 3h15A1 ARG 250 HG2 0.01 -0.04 0.06 -0.04 1.67 1.66 3h15A1 ARG 250 HG3 0.00 0.03 -0.11 -0.04 1.67 1.55 3h15A1 ARG 250 HD2 0.02 -0.01 -0.17 -0.04 3.22 3.02 3h15A1 ARG 250 HD3 0.02 -0.01 0.01 -0.04 3.22 3.21 3h15A1 VAL 251 H 0.02 0.09 0.06 -0.55 8.24 7.86 3h15A1 VAL 251 HA 0.02 0.18 0.98 -0.75 4.13 4.56 3h15A1 VAL 251 HB 0.04 0.02 -0.13 -0.04 2.12 2.01 3h15A1 VAL 251 HG13 0.03 0.03 -0.19 -0.04 0.97 0.79 3h15A1 VAL 251 HG23 0.04 -0.02 0.05 -0.04 0.95 0.97 3h15A1 SER 252 H 0.02 0.17 0.10 -0.55 8.46 8.20 3h15A1 SER 252 HA 0.02 0.10 0.35 -0.75 4.49 4.21 3h15A1 SER 252 HB2 0.03 -0.50 0.02 -0.04 3.95 3.45 3h15A1 SER 252 HB3 0.02 0.10 0.14 -0.04 3.93 4.14 3h15A1 SER 253 H 0.02 0.19 0.21 -0.55 8.46 8.33 3h15A1 SER 253 HA 0.05 0.12 0.54 -0.75 4.49 4.45 3h15A1 SER 253 HB2 0.02 0.09 0.20 -0.04 3.95 4.21 3h15A1 SER 253 HB3 0.02 -0.05 0.16 -0.04 3.93 4.03 3h15A1 SER 254 H 0.03 0.10 -0.06 -0.55 8.46 7.98 3h15A1 SER 254 HA 0.05 0.11 0.42 -0.75 4.49 4.32 3h15A1 SER 254 HB2 0.03 0.08 0.02 -0.04 3.95 4.04 3h15A1 SER 254 HB3 0.03 0.03 0.11 -0.04 3.93 4.05 3h15A1 GLU 255 H 0.03 0.01 -0.26 -0.55 8.60 7.84 3h15A1 GLU 255 HA 0.02 0.07 0.33 -0.75 4.29 3.96 3h15A1 GLU 255 HB2 0.02 -0.07 0.11 -0.04 2.09 2.11 3h15A1 GLU 255 HB3 0.03 0.07 -0.02 -0.04 1.99 2.02 3h15A1 GLU 255 HG2 0.02 0.04 0.03 -0.04 2.34 2.38 3h15A1 GLU 255 HG3 0.01 0.01 0.09 -0.04 2.34 2.42 3h15A1 MET 256 H 0.06 0.37 -0.64 -0.55 8.47 7.72 3h15A1 MET 256 HA 0.03 0.09 0.59 -0.75 4.52 4.48 3h15A1 MET 256 HB2 0.13 0.17 0.16 -0.04 2.15 2.58 3h15A1 MET 256 HB3 0.22 -0.07 -0.07 -0.04 2.03 2.08 3h15A1 MET 256 HG2 0.06 0.04 -0.14 -0.04 2.63 2.56 3h15A1 MET 256 HG3 0.10 -0.05 -0.04 -0.04 2.56 2.53 3h15A1 MET 256 HE3 0.13 -0.02 -0.09 -0.04 2.10 2.07 3h15A1 GLU 257 H 0.14 0.43 0.04 -0.55 8.60 8.66 3h15A1 GLU 257 HA 0.23 0.03 0.39 -0.75 4.29 4.19 3h15A1 GLU 257 HB2 0.16 0.00 0.16 -0.04 2.09 2.37 3h15A1 GLU 257 HB3 0.09 0.00 0.03 -0.04 1.99 2.07 3h15A1 GLU 257 HG2 0.28 0.00 0.03 -0.04 2.34 2.61 3h15A1 GLU 257 HG3 0.11 0.00 0.01 -0.04 2.34 2.42 3h15A1 ARG 258 H 0.04 0.29 -0.48 -0.55 8.46 7.76 3h15A1 ARG 258 HA 0.02 0.04 0.33 -0.75 4.34 3.98 3h15A1 ARG 258 HB2 0.02 0.05 0.04 -0.04 1.90 1.97 3h15A1 ARG 258 HB3 0.01 0.09 0.09 -0.04 1.80 1.94 3h15A1 ARG 258 HG2 0.01 0.01 0.00 -0.04 1.67 1.65 3h15A1 ARG 258 HG3 0.01 -0.06 -0.04 -0.04 1.67 1.55 3h15A1 ARG 258 HD2 0.00 -0.00 -0.04 -0.04 3.22 3.14 3h15A1 ARG 258 HD3 -0.00 0.05 -0.16 -0.04 3.22 3.07 3h15A1 LYS 259 H -0.02 0.41 -0.09 -0.55 8.42 8.17 3h15A1 LYS 259 HA -0.04 0.04 0.37 -0.75 4.32 3.93 3h15A1 LYS 259 HB2 -0.03 0.03 0.15 -0.04 1.87 1.98 3h15A1 LYS 259 HB3 -0.06 0.02 0.07 -0.04 1.79 1.79 3h15A1 LYS 259 HG2 -0.06 -0.05 -0.09 -0.04 1.46 1.21 3h15A1 LYS 259 HG3 -0.08 0.03 -0.04 -0.04 1.46 1.34 3h15A1 LYS 259 HD2 -0.04 -0.01 0.00 -0.04 1.69 1.60 3h15A1 LYS 259 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.58 3h15A1 LYS 259 HE2 -0.06 -0.02 -0.07 -0.04 2.99 2.80 3h15A1 LYS 259 HE3 -0.07 -0.00 -0.05 -0.04 2.99 2.83 3h15A1 MET 260 H -0.13 0.49 -0.38 -0.55 8.47 7.91 3h15A1 MET 260 HA -0.20 0.01 0.31 -0.75 4.52 3.90 3h15A1 MET 260 HB2 -0.61 0.23 0.05 -0.04 2.15 1.77 3h15A1 MET 260 HB3 -0.36 -0.00 -0.05 -0.04 2.03 1.57 3h15A1 MET 260 HG2 -2.59 -0.10 -0.07 -0.04 2.63 -0.16 3h15A1 MET 260 HG3 -0.40 -0.00 0.00 -0.04 2.56 2.11 3h15A1 MET 260 HE3 0.07 -0.02 -0.14 -0.04 2.10 1.97 3h15A1 ASN 261 H -0.04 0.35 -0.60 -0.55 8.53 7.69 3h15A1 ASN 261 HA 0.02 -0.10 0.32 -0.75 4.76 4.24 3h15A1 ASN 261 HB2 0.01 0.12 0.20 -0.04 2.88 3.17 3h15A1 ASN 261 HB3 -0.00 0.07 0.13 -0.04 2.79 2.95 3h15A1 ASN 261 HD21 0.03 -0.06 0.00 -0.04 7.03 6.96 3h15A1 ASN 261 HD22 0.04 0.02 0.03 -0.04 7.74 7.79 3h15A1 GLY 262 H 0.03 0.09 0.22 -0.55 8.43 8.22 3h15A1 GLY 262 HA2 0.02 -0.06 0.36 -0.51 4.01 3.83 3h15A1 GLY 262 HA3 0.01 0.06 0.44 -0.51 4.01 4.01 3h15A1 ARG 263 H -0.00 0.34 -0.31 -0.55 8.46 7.93 3h15A1 ARG 263 HA 0.02 0.22 0.87 -0.75 4.34 4.69 3h15A1 ARG 263 HB2 -0.04 0.01 -0.09 -0.04 1.90 1.74 3h15A1 ARG 263 HB3 -0.03 -0.02 -0.03 -0.04 1.80 1.68 3h15A1 ARG 263 HG2 -0.03 -0.03 -0.27 -0.04 1.67 1.29 3h15A1 ARG 263 HG3 -0.05 0.18 -0.34 -0.04 1.67 1.42 3h15A1 ARG 263 HD2 -0.11 0.06 -0.13 -0.04 3.22 3.00 3h15A1 ARG 263 HD3 -0.12 -0.06 -0.30 -0.04 3.22 2.70 3h15A1 LYS 264 H 0.09 0.59 0.26 -0.55 8.42 8.81 3h15A1 LYS 264 HA 0.08 0.14 0.94 -0.75 4.32 4.73 3h15A1 LYS 264 HB2 0.08 0.03 0.02 -0.04 1.87 1.97 3h15A1 LYS 264 HB3 0.15 -0.08 0.01 -0.04 1.79 1.83 3h15A1 LYS 264 HG2 0.08 0.04 -0.35 -0.04 1.46 1.19 3h15A1 LYS 264 HG3 0.06 0.01 0.00 -0.04 1.46 1.50 3h15A1 LYS 264 HD2 0.05 0.01 -0.04 -0.04 1.69 1.67 3h15A1 LYS 264 HD3 0.04 -0.04 -0.10 -0.04 1.68 1.54 3h15A1 LYS 264 HE2 0.03 0.03 -0.05 -0.04 2.99 2.95 3h15A1 LYS 264 HE3 0.03 0.00 -0.02 -0.04 2.99 2.96 3h15A1 LEU 265 H 0.11 0.19 0.13 -0.55 8.37 8.25 3h15A1 LEU 265 HA 0.14 0.22 0.74 -0.75 4.35 4.70 3h15A1 LEU 265 HB2 0.19 0.03 0.12 -0.04 1.64 1.94 3h15A1 LEU 265 HB3 0.16 -0.05 0.16 -0.04 1.64 1.87 3h15A1 LEU 265 HG 0.37 -0.00 -0.05 -0.04 1.64 1.92 3h15A1 LEU 265 HD13 0.33 0.05 0.02 -0.04 0.93 1.29 3h15A1 LEU 265 HD23 0.29 0.02 -0.16 -0.04 0.89 0.99 3h15A1 ILE 266 H 0.18 0.64 0.32 -0.55 8.25 8.84 3h15A1 ILE 266 HA 0.05 0.15 0.96 -0.75 4.18 4.59 3h15A1 ILE 266 HB 0.08 0.00 0.05 -0.04 1.89 1.98 3h15A1 ILE 266 HG12 -0.03 0.02 -0.12 -0.04 1.49 1.32 3h15A1 ILE 266 HG13 0.10 0.03 -0.33 -0.04 1.21 0.98 3h15A1 ILE 266 HG23 -0.13 0.01 -0.28 -0.04 0.93 0.48 3h15A1 ILE 266 HD13 -0.27 -0.01 -0.07 -0.04 0.88 0.49 3h15A1 ARG 267 H 0.05 0.18 0.09 -0.55 8.46 8.23 3h15A1 ARG 267 HA 0.11 0.11 0.53 -0.75 4.34 4.33 3h15A1 ARG 267 HB2 0.03 -0.03 0.11 -0.04 1.90 1.97 3h15A1 ARG 267 HB3 0.05 -0.09 0.12 -0.04 1.80 1.83 3h15A1 ARG 267 HG2 0.07 0.07 0.06 -0.04 1.67 1.82 3h15A1 ARG 267 HG3 0.04 0.03 0.05 -0.04 1.67 1.75 3h15A1 ARG 267 HD2 0.07 -0.03 0.05 -0.04 3.22 3.27 3h15A1 ARG 267 HD3 0.13 -0.01 0.03 -0.04 3.22 3.33 3h15A1 LEU 268 H 0.08 0.20 0.24 -0.55 8.37 8.35 3h15A1 LEU 268 HA 0.05 0.12 0.33 -0.75 4.35 4.09 3h15A1 LEU 268 HB2 0.08 0.12 0.15 -0.04 1.64 1.95 3h15A1 LEU 268 HB3 0.04 -0.09 0.14 -0.04 1.64 1.69 3h15A1 LEU 268 HG 0.07 0.00 -0.09 -0.04 1.64 1.58 3h15A1 LEU 268 HD13 0.07 -0.01 -0.18 -0.04 0.93 0.78 3h15A1 LEU 268 HD23 0.02 -0.01 -0.41 -0.04 0.89 0.45 3h15A1 ALA 269 H 0.02 0.05 -0.29 -0.55 8.40 7.62 3h15A1 ALA 269 HA 0.00 0.11 0.43 -0.75 4.34 4.12 3h15A1 ALA 269 HB3 -0.00 0.01 0.07 -0.04 1.41 1.45 3h15A1 GLN 270 H -0.01 0.64 -0.34 -0.55 8.47 8.21 3h15A1 GLN 270 HA -0.03 0.12 0.64 -0.75 4.36 4.33 3h15A1 GLN 270 HB2 -0.04 0.16 0.03 -0.04 2.15 2.26 3h15A1 GLN 270 HB3 -0.06 -0.00 0.06 -0.04 2.02 1.98 3h15A1 GLN 270 HG2 -0.02 0.05 0.02 -0.04 2.40 2.41 3h15A1 GLN 270 HG3 -0.01 -0.01 -0.08 -0.04 2.39 2.25 3h15A1 GLN 270 HE21 0.02 -0.01 0.01 -0.04 6.97 6.94 3h15A1 GLN 270 HE22 0.00 0.01 -0.09 -0.04 7.69 7.57 3h15A1 LEU 271 H -0.06 0.40 -0.35 -0.55 8.37 7.82 3h15A1 LEU 271 HA -0.22 0.07 0.27 -0.75 4.35 3.71 3h15A1 LEU 271 HB2 -0.05 0.10 0.11 -0.04 1.64 1.75 3h15A1 LEU 271 HB3 -0.14 -0.02 -0.08 -0.04 1.64 1.37 3h15A1 LEU 271 HG -0.09 0.03 -0.07 -0.04 1.64 1.47 3h15A1 LEU 271 HD13 0.05 -0.00 -0.09 -0.04 0.93 0.85 3h15A1 LEU 271 HD23 -0.59 0.00 -0.14 -0.04 0.89 0.11 3h15A1 GLN 272 H -0.03 0.21 -0.12 -0.55 8.47 7.97 3h15A1 GLN 272 HA -0.03 0.06 0.27 -0.75 4.36 3.90 3h15A1 GLN 272 HB2 0.00 0.04 0.10 -0.04 2.15 2.25 3h15A1 GLN 272 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 3h15A1 GLN 272 HG2 -0.01 -0.01 -0.17 -0.04 2.40 2.16 3h15A1 GLN 272 HG3 -0.01 -0.03 -0.14 -0.04 2.39 2.16 3h15A1 GLN 272 HE21 0.01 0.03 -0.02 -0.04 6.97 6.94 3h15A1 GLN 272 HE22 -0.00 -0.03 -0.06 -0.04 7.69 7.56 3h15A1 ASN 273 H -0.04 0.15 -0.28 -0.55 8.53 7.81 3h15A1 ASN 273 HA -0.03 0.05 0.42 -0.75 4.76 4.44 3h15A1 ASN 273 HB2 -0.02 -0.00 0.07 -0.04 2.88 2.88 3h15A1 ASN 273 HB3 -0.04 0.09 0.04 -0.04 2.79 2.84 3h15A1 ASN 273 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.98 3h15A1 ASN 273 HD22 -0.02 -0.01 0.01 -0.04 7.74 7.69 3h15A1 LYS 274 H -0.10 0.45 -0.17 -0.55 8.42 8.05 3h15A1 LYS 274 HA -0.08 0.07 0.40 -0.75 4.32 3.96 3h15A1 LYS 274 HB2 -0.22 0.04 0.03 -0.04 1.87 1.67 3h15A1 LYS 274 HB3 -0.17 -0.01 -0.10 -0.04 1.79 1.47 3h15A1 LYS 274 HG2 -0.09 -0.09 -0.03 -0.04 1.46 1.21 3h15A1 LYS 274 HG3 -0.14 0.27 0.00 -0.04 1.46 1.55 3h15A1 LYS 274 HD2 -0.09 -0.05 -0.05 -0.04 1.69 1.46 3h15A1 LYS 274 HD3 -0.19 -0.01 -0.05 -0.04 1.68 1.38 3h15A1 LYS 274 HE2 -0.09 0.07 -0.06 -0.04 2.99 2.86 3h15A1 LYS 274 HE3 -0.06 -0.04 -0.04 -0.04 2.99 2.81 3h15A1 ILE 275 H -0.10 0.56 -0.18 -0.55 8.25 7.98 3h15A1 ILE 275 HA -0.07 -0.03 0.57 -0.75 4.18 3.89 3h15A1 ILE 275 HB -0.05 0.14 0.12 -0.04 1.89 2.06 3h15A1 ILE 275 HG12 -0.09 -0.03 -0.00 -0.04 1.49 1.33 3h15A1 ILE 275 HG13 -0.15 0.01 -0.01 -0.04 1.21 1.01 3h15A1 ILE 275 HG23 -0.03 -0.00 -0.05 -0.04 0.93 0.81 3h15A1 ILE 275 HD13 -0.06 -0.02 -0.14 -0.04 0.88 0.61 3h15A1 ALA 276 H -0.04 0.49 -0.02 -0.55 8.40 8.28 3h15A1 ALA 276 HA -0.02 0.06 0.49 -0.75 4.34 4.11 3h15A1 ALA 276 HB3 -0.02 -0.00 0.11 -0.04 1.41 1.45 3h15A1 THR 277 H -0.04 0.74 -0.00 -0.55 8.28 8.44 3h15A1 THR 277 HA -0.02 0.05 0.47 -0.75 4.39 4.14 3h15A1 THR 277 HB -0.02 -0.03 0.11 -0.04 4.32 4.34 3h15A1 THR 277 HG23 -0.02 0.02 0.05 -0.04 1.22 1.22 3h15A1 GLU 278 H -0.03 0.13 -1.40 -0.55 8.60 6.75 3h15A1 GLU 278 HA -0.03 0.02 0.35 -0.75 4.29 3.87 3h15A1 GLU 278 HB2 -0.02 0.13 -0.10 -0.04 2.09 2.06 3h15A1 GLU 278 HB3 -0.02 0.04 -0.01 -0.04 1.99 1.96 3h15A1 GLU 278 HG2 -0.01 -0.08 0.11 -0.04 2.34 2.32 3h15A1 GLU 278 HG3 -0.01 0.00 0.09 -0.04 2.34 2.38 3h15A1 LYS 279 H -0.05 0.57 -0.06 -0.55 8.42 8.33 3h15A1 LYS 279 HA -0.02 0.02 0.51 -0.75 4.32 4.08 3h15A1 LYS 279 HB2 -0.02 -0.08 0.17 -0.04 1.87 1.90 3h15A1 LYS 279 HB3 -0.02 0.18 -0.00 -0.04 1.79 1.91 3h15A1 LYS 279 HG2 -0.04 0.09 -0.35 -0.04 1.46 1.12 3h15A1 LYS 279 HG3 -0.05 -0.07 -0.04 -0.04 1.46 1.26 3h15A1 LEU 280 H -0.06 0.10 0.09 -0.55 8.37 7.96 3h15A1 LEU 280 HA -0.18 0.19 0.79 -0.75 4.35 4.40 3h15A1 LEU 280 HB2 -0.22 -0.01 -0.22 -0.04 1.64 1.14 3h15A1 LEU 280 HB3 -0.12 0.01 0.03 -0.04 1.64 1.52 3h15A1 LEU 280 HG -0.67 0.04 -0.08 -0.04 1.64 0.89 3h15A1 LEU 280 HD13 -0.91 -0.01 -0.06 -0.04 0.93 -0.09 3h15A1 LEU 280 HD23 -0.34 0.00 -0.09 -0.04 0.89 0.42 3h15A1 GLU 281 H 0.00 0.02 0.07 -0.55 8.60 8.15 3h15A1 GLU 281 HA 0.13 0.14 0.35 -0.75 4.29 4.15 3h15A1 GLU 281 HB2 0.03 -0.01 0.12 -0.04 2.09 2.20 3h15A1 GLU 281 HB3 0.03 -0.01 0.04 -0.04 1.99 2.01 3h15A1 GLU 281 HG2 0.03 -0.01 -0.02 -0.04 2.34 2.31 3h15A1 GLU 281 HG3 0.05 0.04 -0.12 -0.04 2.34 2.27 3h15A1 GLU 282 H 0.03 0.02 -0.38 -0.55 8.60 7.72 3h15A1 GLU 282 HA 0.04 0.08 0.33 -0.75 4.29 3.99 3h15A1 GLU 282 HB2 0.02 0.00 0.08 -0.04 2.09 2.15 3h15A1 GLU 282 HB3 0.02 -0.03 0.02 -0.04 1.99 1.96 3h15A1 GLU 282 HG2 0.01 0.02 -0.36 -0.04 2.34 1.96 3h15A1 GLU 282 HG3 0.02 -0.01 -0.22 -0.04 2.34 2.09 3h15A1 GLU 283 H 0.10 0.41 -0.70 -0.55 8.60 7.87 3h15A1 GLU 283 HA 0.10 0.09 0.82 -0.75 4.29 4.55 3h15A1 GLU 283 HB2 0.12 0.18 0.11 -0.04 2.09 2.47 3h15A1 GLU 283 HB3 0.18 -0.08 -0.06 -0.04 1.99 1.99 3h15A1 GLU 283 HG2 0.01 -0.01 -0.15 -0.04 2.34 2.14 3h15A1 GLU 283 HG3 -0.03 -0.04 0.01 -0.04 2.34 2.23 3h15A1 ASP 284 H 0.10 0.18 0.11 -0.55 8.40 8.24 3h15A1 ASP 284 HA 0.04 0.15 0.80 -0.75 4.63 4.87 3h15A1 ASP 284 HB2 0.03 0.02 0.12 -0.04 2.71 2.84 3h15A1 ASP 284 HB3 0.03 0.03 0.30 -0.04 2.70 3.02 3h15A1 TRP 285 H -0.07 0.24 -0.00 -0.55 7.97 7.59 3h15A1 TRP 285 HA -0.03 0.20 0.79 -0.75 4.62 4.83 3h15A1 TRP 285 HB2 -0.03 0.05 0.06 -0.04 3.23 3.26 3h15A1 TRP 285 HB3 -0.02 -0.04 -0.11 -0.04 3.23 3.03 3h15A1 TRP 285 HD1 -0.02 0.36 0.00 -0.04 7.22 7.52 3h15A1 TRP 285 HE1 -0.01 0.13 -0.02 -0.04 10.20 10.25 3h15A1 TRP 285 HE3 -0.06 0.10 -0.37 -0.04 7.59 7.22 3h15A1 TRP 285 HZ2 -0.01 0.32 -0.08 -0.04 7.44 7.63 3h15A1 TRP 285 HZ3 -0.04 -0.01 -0.18 -0.04 7.13 6.85 3h15A1 TRP 285 HH2 -0.01 -0.02 -0.18 -0.04 7.19 6.94 3h15A1 VAL 286 H 0.18 0.68 0.37 -0.55 8.24 8.93 3h15A1 VAL 286 HA -0.33 0.22 1.00 -0.75 4.13 4.26 3h15A1 VAL 286 HB -0.11 -0.04 -0.06 -0.04 2.12 1.88 3h15A1 VAL 286 HG13 -0.56 -0.02 -0.18 -0.04 0.97 0.17 3h15A1 VAL 286 HG23 -0.19 0.01 -0.27 -0.04 0.95 0.46 3h15A1 THR 287 H -0.27 0.73 0.39 -0.55 8.28 8.58 3h15A1 THR 287 HA -0.02 0.19 0.83 -0.75 4.39 4.64 3h15A1 THR 287 HB 0.44 0.04 -0.13 -0.04 4.32 4.63 3h15A1 THR 287 HG23 0.19 0.02 -0.19 -0.04 1.22 1.21 3h15A1 PHE 288 H 0.16 0.15 0.20 -0.55 8.34 8.29 3h15A1 PHE 288 HA 0.05 0.37 1.15 -0.75 4.62 5.44 3h15A1 PHE 288 HB2 0.06 -0.04 0.09 -0.04 3.15 3.22 3h15A1 PHE 288 HB3 0.04 0.03 -0.05 -0.04 3.06 3.04 3h15A1 PHE 288 HD2 0.05 0.08 -0.15 -0.04 7.28 7.22 3h15A1 PHE 288 HE2 0.03 0.03 -0.17 -0.04 7.38 7.22 3h15A1 PHE 288 HZ -0.11 0.02 -0.17 -0.04 7.32 7.03 3h15A1 GLY 289 H 0.17 0.61 0.30 -0.55 8.43 8.97 3h15A1 GLY 289 HA2 0.10 0.09 0.63 -0.51 4.01 4.32 3h15A1 GLY 289 HA3 0.11 -0.02 0.16 -0.51 4.01 3.75 3h15A1 VAL 290 H 0.04 0.61 0.31 -0.55 8.24 8.65 3h15A1 VAL 290 HA -0.01 0.26 0.96 -0.75 4.13 4.59 3h15A1 VAL 290 HB -0.00 0.02 0.14 -0.04 2.12 2.24 3h15A1 VAL 290 HG13 -0.04 0.03 -0.28 -0.04 0.97 0.64 3h15A1 VAL 290 HG23 -0.01 -0.02 -0.11 -0.04 0.95 0.78 3h15A1 ILE 291 H -0.12 0.75 0.15 -0.55 8.25 8.48 3h15A1 ILE 291 HA -0.08 0.11 0.55 -0.75 4.18 4.01 3h15A1 ILE 291 HB -0.34 -0.15 0.28 -0.04 1.89 1.64 3h15A1 ILE 291 HG12 -0.50 -0.03 -0.10 -0.04 1.49 0.81 3h15A1 ILE 291 HG13 -0.29 0.12 -0.01 -0.04 1.21 0.98 3h15A1 ILE 291 HG23 -0.54 0.01 -0.19 -0.04 0.93 0.18 3h15A1 ILE 291 HD13 -1.26 0.03 -0.14 -0.04 0.88 -0.53 3h15A1 VAL 292 H 0.03 0.71 0.54 -0.55 8.24 8.98 3h15A1 VAL 292 HA -0.00 0.07 0.57 -0.75 4.13 4.01 3h15A1 VAL 292 HB 0.15 0.09 0.08 -0.04 2.12 2.40 3h15A1 VAL 292 HG13 0.12 -0.01 -0.14 -0.04 0.97 0.91 3h15A1 VAL 292 HG23 0.08 -0.00 -0.01 -0.04 0.95 0.98 3h15A1 LYS 293 H 0.00 0.26 0.16 -0.55 8.42 8.29 3h15A1 LYS 293 HA -0.03 0.16 0.72 -0.75 4.32 4.42 3h15A1 LYS 293 HB2 0.01 0.09 -0.31 -0.04 1.87 1.62 3h15A1 LYS 293 HB3 0.03 -0.12 -0.02 -0.04 1.79 1.64 3h15A1 LYS 293 HG2 0.02 0.05 -0.19 -0.04 1.46 1.29 3h15A1 LYS 293 HG3 -0.00 0.06 0.07 -0.04 1.46 1.55 3h15A1 LYS 293 HD2 -0.01 -0.01 -0.07 -0.04 1.69 1.55 3h15A1 LYS 293 HD3 0.00 -0.05 -0.14 -0.04 1.68 1.45 3h15A1 LYS 293 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.95 3h15A1 LYS 293 HE3 -0.01 -0.03 -0.04 -0.04 2.99 2.87 3h15A1 LYS 294 H -0.01 0.23 0.17 -0.55 8.42 8.26 3h15A1 LYS 294 HA 0.20 0.27 1.24 -0.75 4.32 5.28 3h15A1 LYS 294 HB2 0.05 -0.02 0.12 -0.04 1.87 1.97 3h15A1 LYS 294 HB3 0.22 0.10 0.04 -0.04 1.79 2.11 3h15A1 LYS 294 HG2 -0.36 -0.06 -0.28 -0.04 1.46 0.73 3h15A1 LYS 294 HG3 -0.15 -0.07 -0.04 -0.04 1.46 1.15 3h15A1 LYS 294 HD2 -0.21 -0.00 -0.08 -0.04 1.69 1.36 3h15A1 LYS 294 HD3 -0.41 0.06 -0.18 -0.04 1.68 1.11 3h15A1 LYS 294 HE2 -0.06 -0.14 0.01 -0.04 2.99 2.75 3h15A1 LYS 294 HE3 0.10 -0.07 -0.02 -0.04 2.99 2.97 3h15A1 ILE 295 H 0.14 0.72 0.37 -0.55 8.25 8.93 3h15A1 ILE 295 HA 0.03 0.18 0.98 -0.75 4.18 4.62 3h15A1 ILE 295 HB -0.03 -0.05 0.12 -0.04 1.89 1.89 3h15A1 ILE 295 HG12 0.00 0.00 -0.06 -0.04 1.49 1.40 3h15A1 ILE 295 HG13 0.02 0.08 -0.16 -0.04 1.21 1.11 3h15A1 ILE 295 HG23 -0.03 0.01 -0.04 -0.04 0.93 0.83 3h15A1 ILE 295 HD13 0.03 -0.02 -0.22 -0.04 0.88 0.63 3h15A1 THR 296 H 0.00 0.17 0.04 -0.55 8.28 7.95 3h15A1 THR 296 HA -0.13 0.18 1.04 -0.75 4.39 4.73 3h15A1 THR 296 HB 0.19 0.03 -0.01 -0.04 4.32 4.48 3h15A1 THR 296 HG23 0.08 -0.01 0.11 -0.04 1.22 1.36 3h15A1 PRO 297 HA -0.11 0.09 0.21 -0.51 4.44 4.13 3h15A1 PRO 297 HB2 -0.05 -0.04 0.12 -0.04 2.28 2.27 3h15A1 PRO 297 HB3 -0.06 0.01 0.05 -0.04 2.02 1.99 3h15A1 PRO 297 HG2 -0.66 0.06 -0.17 -0.04 2.03 1.21 3h15A1 PRO 297 HG3 -0.10 0.01 -0.08 -0.04 2.03 1.83 3h15A1 PRO 297 HD2 -0.80 0.26 -0.02 -0.04 3.68 3.08 3h15A1 PRO 297 HD3 -0.25 0.07 -0.39 -0.04 3.65 3.04 3h15A1 GLN 298 H -0.03 0.12 0.15 -0.55 8.47 8.16 3h15A1 GLN 298 HA -0.07 0.11 0.55 -0.75 4.36 4.20 3h15A1 GLN 298 HB2 0.03 0.00 0.11 -0.04 2.15 2.25 3h15A1 GLN 298 HB3 0.00 0.04 0.00 -0.04 2.02 2.03 3h15A1 GLN 298 HG2 -0.01 -0.06 0.08 -0.04 2.40 2.37 3h15A1 GLN 298 HG3 -0.00 0.03 0.02 -0.04 2.39 2.40 3h15A1 GLN 298 HE21 -0.03 0.08 -0.06 -0.04 6.97 6.92 3h15A1 GLN 298 HE22 -0.03 -0.05 -0.04 -0.04 7.69 7.53 3h15A1 SER 299 H -0.01 0.12 0.12 -0.55 8.46 8.14 3h15A1 SER 299 HA 0.09 0.12 0.20 -0.75 4.49 4.14 3h15A1 SER 299 HB2 0.38 -0.01 0.05 -0.04 3.95 4.32 3h15A1 SER 299 HB3 0.15 -0.15 0.17 -0.04 3.93 4.05 3h15A1 SER 300 H 0.03 0.31 0.23 -0.55 8.46 8.48 3h15A1 SER 300 HA -0.01 -0.06 0.10 -0.75 4.49 3.76 3h15A1 SER 300 HB2 -0.00 0.21 0.09 -0.04 3.95 4.20 3h15A1 SER 300 HB3 -0.01 0.02 0.08 -0.04 3.93 3.97 3h15A1 ASN 301 H 0.04 -0.04 -0.69 -0.55 8.53 7.30 3h15A1 ASN 301 HA 0.00 0.10 0.31 -0.75 4.76 4.42 3h15A1 ASN 301 HB2 -0.00 -0.04 0.15 -0.04 2.88 2.95 3h15A1 ASN 301 HB3 -0.01 0.04 0.05 -0.04 2.79 2.82 3h15A1 ASN 301 HD21 0.03 0.02 0.01 -0.04 7.03 7.05 3h15A1 ASN 301 HD22 0.01 0.03 -0.05 -0.04 7.74 7.70 3h15A1 ASN 302 H -0.01 0.35 0.31 -0.55 8.53 8.64 3h15A1 ASN 302 HA -0.01 0.01 0.37 -0.75 4.76 4.38 3h15A1 ASN 302 HB2 -0.02 -0.07 -0.55 -0.04 2.88 2.19 3h15A1 ASN 302 HB3 -0.03 0.08 0.17 -0.04 2.79 2.97 3h15A1 ASN 302 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.97 3h15A1 ASN 302 HD22 -0.02 -0.02 -0.05 -0.04 7.74 7.61 3h15A1 GLY 303 H -0.01 0.05 -0.97 -0.55 8.43 6.96 3h15A1 GLY 303 HA2 -0.01 0.20 0.87 -0.51 4.01 4.56 3h15A1 GLY 303 HA3 -0.01 -0.07 0.27 -0.51 4.01 3.68 3h15A1 LYS 304 H -0.03 0.07 -0.05 -0.55 8.42 7.86 3h15A1 LYS 304 HA -0.02 0.08 0.28 -0.75 4.32 3.91 3h15A1 LYS 304 HB2 -0.01 -0.28 -0.09 -0.04 1.87 1.46 3h15A1 LYS 304 HB3 0.02 0.05 -0.00 -0.04 1.79 1.82 3h15A1 LYS 304 HG2 -0.01 0.05 0.01 -0.04 1.46 1.46 3h15A1 LYS 304 HG3 -0.03 0.10 -0.03 -0.04 1.46 1.47 3h15A1 LYS 304 HD2 0.02 -0.04 0.01 -0.04 1.69 1.63 3h15A1 LYS 304 HD3 -0.00 -0.00 0.08 -0.04 1.68 1.72 3h15A1 LYS 304 HE2 -0.01 0.04 0.01 -0.04 2.99 2.99 3h15A1 LYS 304 HE3 0.01 -0.08 0.05 -0.04 2.99 2.93 3h15A1 THR 305 H -0.11 0.19 0.18 -0.55 8.28 8.00 3h15A1 THR 305 HA -0.11 0.07 0.97 -0.75 4.39 4.57 3h15A1 THR 305 HB -0.20 -0.02 0.07 -0.04 4.32 4.13 3h15A1 THR 305 HG23 -0.42 0.00 -0.03 -0.04 1.22 0.73 3h15A1 PHE 306 H -0.42 0.32 0.19 -0.55 8.34 7.88 3h15A1 PHE 306 HA -0.58 0.12 0.78 -0.75 4.62 4.19 3h15A1 PHE 306 HB2 -0.13 0.23 0.22 -0.04 3.15 3.43 3h15A1 PHE 306 HB3 0.12 -0.11 -0.20 -0.04 3.06 2.82 3h15A1 PHE 306 HD2 -0.11 0.03 -0.15 -0.04 7.28 7.00 3h15A1 PHE 306 HE2 -0.03 0.04 -0.22 -0.04 7.38 7.12 3h15A1 PHE 306 HZ 0.09 -0.00 -0.14 -0.04 7.32 7.23 3h15A1 SER 307 H -0.00 0.53 0.37 -0.55 8.46 8.81 3h15A1 SER 307 HA -0.31 0.18 0.91 -0.75 4.49 4.52 3h15A1 SER 307 HB2 0.16 0.17 0.23 -0.04 3.95 4.47 3h15A1 SER 307 HB3 0.26 -0.02 -0.14 -0.04 3.93 3.99 3h15A1 ILE 308 H -0.05 0.90 0.47 -0.55 8.25 9.02 3h15A1 ILE 308 HA -0.40 0.28 1.06 -0.75 4.18 4.37 3h15A1 ILE 308 HB -0.13 -0.08 0.10 -0.04 1.89 1.75 3h15A1 ILE 308 HG12 -0.92 0.06 -0.24 -0.04 1.49 0.36 3h15A1 ILE 308 HG13 -0.18 -0.03 -0.29 -0.04 1.21 0.67 3h15A1 ILE 308 HG23 -0.36 -0.01 -0.17 -0.04 0.93 0.36 3h15A1 ILE 308 HD13 -0.18 -0.01 -0.11 -0.04 0.88 0.55 3h15A1 TRP 309 H 0.01 0.54 0.35 -0.55 7.97 8.31 3h15A1 TRP 309 HA -0.02 0.31 1.19 -0.75 4.62 5.35 3h15A1 TRP 309 HB2 0.00 -0.06 0.13 -0.04 3.23 3.26 3h15A1 TRP 309 HB3 0.01 -0.00 -0.03 -0.04 3.23 3.17 3h15A1 TRP 309 HD1 0.00 0.27 -0.18 -0.04 7.22 7.27 3h15A1 TRP 309 HE1 0.08 0.08 -0.09 -0.04 10.20 10.23 3h15A1 TRP 309 HE3 -0.00 -0.06 -0.15 -0.04 7.59 7.34 3h15A1 TRP 309 HZ2 0.06 0.21 -0.14 -0.04 7.44 7.53 3h15A1 TRP 309 HZ3 -0.08 -0.02 -0.16 -0.04 7.13 6.83 3h15A1 TRP 309 HH2 -0.01 0.03 -0.07 -0.04 7.19 7.10 3h15A1 ARG 310 H 0.15 0.70 0.35 -0.55 8.46 9.10 3h15A1 ARG 310 HA 0.16 0.24 1.05 -0.75 4.34 5.04 3h15A1 ARG 310 HB2 0.07 0.02 0.17 -0.04 1.90 2.11 3h15A1 ARG 310 HB3 0.12 -0.02 -0.01 -0.04 1.80 1.85 3h15A1 ARG 310 HG2 -0.05 0.01 -0.05 -0.04 1.67 1.53 3h15A1 ARG 310 HG3 0.08 0.05 -0.01 -0.04 1.67 1.75 3h15A1 ARG 310 HD2 0.05 -0.06 -0.19 -0.04 3.22 2.99 3h15A1 ARG 310 HD3 0.01 0.01 -0.10 -0.04 3.22 3.10 3h15A1 LEU 311 H 0.20 0.76 0.44 -0.55 8.37 9.22 3h15A1 LEU 311 HA 0.12 0.38 1.13 -0.75 4.35 5.23 3h15A1 LEU 311 HB2 0.14 -0.06 0.04 -0.04 1.64 1.72 3h15A1 LEU 311 HB3 0.12 -0.09 -0.06 -0.04 1.64 1.57 3h15A1 LEU 311 HG 0.22 0.09 -0.24 -0.04 1.64 1.67 3h15A1 LEU 311 HD13 0.19 -0.01 -0.22 -0.04 0.93 0.84 3h15A1 LEU 311 HD23 0.20 0.03 -0.51 -0.04 0.89 0.56 3h15A1 ASN 312 H 0.05 0.48 0.43 -0.55 8.53 8.93 3h15A1 ASN 312 HA -0.11 0.27 0.82 -0.75 4.76 4.99 3h15A1 ASN 312 HB2 -0.33 0.11 -0.09 -0.04 2.88 2.53 3h15A1 ASN 312 HB3 -0.07 0.00 0.07 -0.04 2.79 2.75 3h15A1 ASN 312 HD21 -0.42 -0.16 -0.14 -0.04 7.03 6.28 3h15A1 ASN 312 HD22 -1.22 0.11 -0.19 -0.04 7.74 6.40 3h15A1 ASP 313 H -0.06 0.22 0.19 -0.55 8.40 8.20 3h15A1 ASP 313 HA 0.03 0.19 0.61 -0.75 4.63 4.71 3h15A1 ASP 313 HB2 0.05 0.14 0.22 -0.04 2.71 3.08 3h15A1 ASP 313 HB3 0.06 0.16 0.21 -0.04 2.70 3.08 3h15A1 LEU 314 H -0.06 0.10 -0.34 -0.55 8.37 7.52 3h15A1 LEU 314 HA -0.05 0.03 0.14 -0.75 4.35 3.71 3h15A1 LEU 314 HB2 -0.03 0.23 -0.09 -0.04 1.64 1.72 3h15A1 LEU 314 HB3 -0.03 -0.03 0.12 -0.04 1.64 1.66 3h15A1 LEU 314 HG -0.02 0.02 -0.27 -0.04 1.64 1.33 3h15A1 LEU 314 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.75 3h15A1 LEU 314 HD23 -0.03 -0.00 -0.09 -0.04 0.89 0.73 3h15A1 LYS 315 H -0.03 -0.18 -0.82 -0.55 8.42 6.84 3h15A1 LYS 315 HA -0.02 0.27 0.93 -0.75 4.32 4.75 3h15A1 LYS 315 HB2 -0.00 -0.15 0.07 -0.04 1.87 1.75 3h15A1 LYS 315 HB3 -0.01 0.01 0.01 -0.04 1.79 1.77 3h15A1 LYS 315 HG2 -0.01 0.24 -0.12 -0.04 1.46 1.52 3h15A1 LYS 315 HG3 -0.01 0.03 -0.00 -0.04 1.46 1.44 3h15A1 LYS 315 HD2 -0.02 -0.07 0.07 -0.04 1.69 1.63 3h15A1 LYS 315 HD3 -0.02 0.15 -0.14 -0.04 1.68 1.63 3h15A1 LYS 315 HE2 -0.03 0.11 -0.02 -0.04 2.99 3.01 3h15A1 LYS 315 HE3 -0.03 -0.03 0.03 -0.04 2.99 2.93 3h15A1 ASP 316 H -0.03 0.06 0.04 -0.55 8.40 7.92 3h15A1 ASP 316 HA -0.04 0.28 0.91 -0.75 4.63 5.03 3h15A1 ASP 316 HB2 -0.03 -0.05 0.29 -0.04 2.71 2.88 3h15A1 ASP 316 HB3 -0.03 -0.01 0.20 -0.04 2.70 2.82 3h15A1 LEU 317 H -0.05 0.39 -0.26 -0.55 8.37 7.89 3h15A1 LEU 317 HA -0.14 -0.01 0.13 -0.75 4.35 3.58 3h15A1 LEU 317 HB2 -0.04 0.01 -0.05 -0.04 1.64 1.53 3h15A1 LEU 317 HB3 -0.04 0.08 0.02 -0.04 1.64 1.67 3h15A1 LEU 317 HG -0.04 0.04 -0.18 -0.04 1.64 1.42 3h15A1 LEU 317 HD13 -0.02 0.04 0.02 -0.04 0.93 0.93 3h15A1 LEU 317 HD23 -0.04 -0.01 -0.22 -0.04 0.89 0.58 3h15A1 ASP 318 H -0.06 -0.06 -0.75 -0.55 8.40 6.98 3h15A1 ASP 318 HA 0.05 0.23 0.92 -0.75 4.63 5.06 3h15A1 ASP 318 HB2 0.05 0.03 0.04 -0.04 2.71 2.79 3h15A1 ASP 318 HB3 0.03 0.00 0.01 -0.04 2.70 2.70 3h15A1 LYS 319 H -0.11 0.42 0.11 -0.55 8.42 8.28 3h15A1 LYS 319 HA 0.04 0.15 0.75 -0.75 4.32 4.51 3h15A1 LYS 319 HB2 -0.04 -0.09 0.19 -0.04 1.87 1.88 3h15A1 LYS 319 HB3 0.00 0.05 -0.00 -0.04 1.79 1.80 3h15A1 LYS 319 HG2 -0.02 -0.09 0.07 -0.04 1.46 1.39 3h15A1 LYS 319 HG3 0.00 0.00 0.08 -0.04 1.46 1.50 3h15A1 LYS 319 HD2 0.04 0.10 -0.02 -0.04 1.69 1.77 3h15A1 LYS 319 HD3 0.02 -0.12 -0.46 -0.04 1.68 1.07 3h15A1 LYS 319 HE2 0.02 0.04 0.03 -0.04 2.99 3.03 3h15A1 LYS 319 HE3 0.03 0.04 -0.03 -0.04 2.99 2.99 3h15A1 TYR 320 H 0.19 0.23 0.28 -0.55 8.29 8.44 3h15A1 TYR 320 HA 0.05 0.41 1.07 -0.75 4.56 5.34 3h15A1 TYR 320 HB2 0.05 -0.04 0.08 -0.04 3.06 3.11 3h15A1 TYR 320 HB3 0.05 -0.00 0.01 -0.04 2.98 3.00 3h15A1 TYR 320 HD2 0.04 0.05 -0.15 -0.04 7.15 7.04 3h15A1 TYR 320 HE2 0.03 -0.00 -0.08 -0.04 6.85 6.75 3h15A1 ILE 321 H 0.18 0.42 0.37 -0.55 8.25 8.67 3h15A1 ILE 321 HA 0.14 0.21 0.75 -0.75 4.18 4.53 3h15A1 ILE 321 HB 0.12 0.07 0.07 -0.04 1.89 2.11 3h15A1 ILE 321 HG12 0.14 -0.09 -0.03 -0.04 1.49 1.47 3h15A1 ILE 321 HG13 0.15 0.04 -0.42 -0.04 1.21 0.94 3h15A1 ILE 321 HG23 0.08 -0.01 -0.17 -0.04 0.93 0.79 3h15A1 ILE 321 HD13 0.13 -0.01 -0.17 -0.04 0.88 0.80 3h15A1 SER 322 H 0.16 0.71 0.36 -0.55 8.46 9.15 3h15A1 SER 322 HA 0.15 0.32 1.13 -0.75 4.49 5.34 3h15A1 SER 322 HB2 0.28 0.00 0.15 -0.04 3.95 4.35 3h15A1 SER 322 HB3 0.17 -0.01 -0.05 -0.04 3.93 4.01 3h15A1 LEU 323 H 0.15 0.71 0.35 -0.55 8.37 9.03 3h15A1 LEU 323 HA 0.15 0.24 1.01 -0.75 4.35 5.00 3h15A1 LEU 323 HB2 0.13 -0.03 -0.06 -0.04 1.64 1.64 3h15A1 LEU 323 HB3 0.12 -0.04 0.14 -0.04 1.64 1.82 3h15A1 LEU 323 HG -0.21 -0.01 -0.48 -0.04 1.64 0.90 3h15A1 LEU 323 HD13 0.02 0.06 -0.21 -0.04 0.93 0.76 3h15A1 LEU 323 HD23 -0.04 -0.01 -0.18 -0.04 0.89 0.62 3h15A1 PHE 324 H 0.28 0.84 0.38 -0.55 8.34 9.29 3h15A1 PHE 324 HA -0.24 0.21 0.97 -0.75 4.62 4.81 3h15A1 PHE 324 HB2 -0.16 0.01 0.05 -0.04 3.15 3.01 3h15A1 PHE 324 HB3 -0.89 -0.03 -0.07 -0.04 3.06 2.03 3h15A1 PHE 324 HD2 -0.13 0.01 -0.15 -0.04 7.28 6.97 3h15A1 PHE 324 HE2 0.05 -0.00 -0.11 -0.04 7.38 7.27 3h15A1 PHE 324 HZ 0.07 0.00 -0.09 -0.04 7.32 7.26 3h15A1 LEU 325 H -0.39 0.72 0.33 -0.55 8.37 8.49 3h15A1 LEU 325 HA -0.24 0.09 0.89 -0.75 4.35 4.34 3h15A1 LEU 325 HB2 -0.24 -0.02 0.11 -0.04 1.64 1.45 3h15A1 LEU 325 HB3 -0.13 -0.06 -0.20 -0.04 1.64 1.22 3h15A1 LEU 325 HG -0.53 0.00 -0.22 -0.04 1.64 0.85 3h15A1 LEU 325 HD13 -1.31 0.01 -0.25 -0.04 0.93 -0.66 3h15A1 LEU 325 HD23 -0.77 0.03 -0.23 -0.04 0.89 -0.12 3h15A1 PHE 326 H 0.01 0.21 0.16 -0.55 8.34 8.16 3h15A1 PHE 326 HA 0.06 0.27 1.02 -0.75 4.62 5.22 3h15A1 PHE 326 HB2 0.00 0.01 -0.01 -0.04 3.15 3.11 3h15A1 PHE 326 HB3 -0.01 -0.02 0.07 -0.04 3.06 3.06 3h15A1 PHE 326 HD2 -0.04 0.00 -0.06 -0.04 7.28 7.14 3h15A1 PHE 326 HE2 -0.37 0.02 -0.10 -0.04 7.38 6.89 3h15A1 PHE 326 HZ -0.16 0.02 -0.10 -0.04 7.32 7.04 3h15A1 GLY 327 H 0.18 0.23 0.13 -0.55 8.43 8.43 3h15A1 GLY 327 HA2 0.07 0.10 0.36 -0.51 4.01 4.03 3h15A1 GLY 327 HA3 0.08 0.02 0.38 -0.51 4.01 3.98 3h15A1 ASP 328 H 0.06 0.15 0.17 -0.55 8.40 8.24 3h15A1 ASP 328 HA 0.05 0.06 0.39 -0.75 4.63 4.37 3h15A1 ASP 328 HB2 0.05 -0.01 0.18 -0.04 2.71 2.89 3h15A1 ASP 328 HB3 0.04 0.03 -0.02 -0.04 2.70 2.71 3h15A1 VAL 329 H 0.08 0.24 -0.05 -0.55 8.24 7.97 3h15A1 VAL 329 HA 0.09 0.04 0.31 -0.75 4.13 3.82 3h15A1 VAL 329 HB 0.04 -0.07 0.12 -0.04 2.12 2.16 3h15A1 VAL 329 HG13 0.06 0.00 -0.07 -0.04 0.97 0.92 3h15A1 VAL 329 HG23 0.06 0.05 -0.01 -0.04 0.95 1.01 3h15A1 HIS 330 H 0.15 0.36 -0.47 -0.55 8.41 7.90 3h15A1 HIS 330 HA 0.05 0.01 0.36 -0.75 4.63 4.30 3h15A1 HIS 330 HB2 -0.03 0.01 -0.31 -0.04 3.26 2.89 3h15A1 HIS 330 HB3 -0.03 0.08 -0.13 -0.04 3.20 3.09 3h15A1 HIS 330 HD2 -0.35 -0.01 -0.24 -0.04 6.97 6.33 3h15A1 HIS 330 HE1 -0.45 0.08 -0.21 -0.04 7.75 7.13 3h15A1 LYS 331 H 0.16 0.63 -0.08 -0.55 8.42 8.57 3h15A1 LYS 331 HA 0.12 -0.03 0.28 -0.75 4.32 3.94 3h15A1 LYS 331 HB2 0.08 0.09 0.03 -0.04 1.87 2.03 3h15A1 LYS 331 HB3 0.06 0.08 -0.04 -0.04 1.79 1.85 3h15A1 LYS 331 HG2 0.06 -0.01 -0.02 -0.04 1.46 1.44 3h15A1 LYS 331 HG3 0.10 0.00 0.05 -0.04 1.46 1.57 3h15A1 LYS 331 HD2 0.05 -0.05 -0.07 -0.04 1.69 1.57 3h15A1 LYS 331 HD3 0.04 -0.00 -0.02 -0.04 1.68 1.66 3h15A1 LYS 331 HE2 0.13 0.03 -0.00 -0.04 2.99 3.11 3h15A1 LYS 331 HE3 0.03 -0.09 -0.01 -0.04 2.99 2.88 3h15A1 GLU 332 H 0.04 0.23 -0.79 -0.55 8.60 7.53 3h15A1 GLU 332 HA -0.05 0.06 0.48 -0.75 4.29 4.02 3h15A1 GLU 332 HB2 -0.11 -0.05 0.06 -0.04 2.09 1.95 3h15A1 GLU 332 HB3 -0.23 0.06 0.16 -0.04 1.99 1.95 3h15A1 GLU 332 HG2 -0.61 -0.04 -0.02 -0.04 2.34 1.63 3h15A1 GLU 332 HG3 -0.80 0.02 -0.18 -0.04 2.34 1.35 3h15A1 HIS 333 H 0.11 0.46 0.16 -0.55 8.41 8.59 3h15A1 HIS 333 HA 0.11 0.21 0.92 -0.75 4.63 5.12 3h15A1 HIS 333 HB2 0.01 0.06 0.03 -0.04 3.26 3.32 3h15A1 HIS 333 HB3 0.40 -0.08 0.07 -0.04 3.20 3.55 3h15A1 HIS 333 HD2 -0.00 -0.08 0.07 -0.04 6.97 6.92 3h15A1 HIS 333 HE1 0.05 -0.02 0.04 -0.04 7.75 7.78 3h15A1 TRP 334 H 0.33 0.58 0.03 -0.55 7.97 8.36 3h15A1 TRP 334 HA 0.28 0.04 0.17 -0.75 4.62 4.35 3h15A1 TRP 334 HB2 -0.18 -0.03 0.02 -0.04 3.23 3.01 3h15A1 TRP 334 HB3 -0.80 -0.05 0.04 -0.04 3.23 2.38 3h15A1 TRP 334 HD1 -0.30 0.37 -0.17 -0.04 7.22 7.08 3h15A1 TRP 334 HE1 -0.07 0.03 -0.08 -0.04 10.20 10.05 3h15A1 TRP 334 HE3 0.07 -0.01 -0.12 -0.04 7.59 7.49 3h15A1 TRP 334 HZ2 0.02 -0.01 -0.06 -0.04 7.44 7.34 3h15A1 TRP 334 HZ3 0.05 -0.00 -0.06 -0.04 7.13 7.07 3h15A1 TRP 334 HH2 0.03 -0.01 -0.05 -0.04 7.19 7.11 3h15A1 LYS 335 H -0.44 0.13 -0.45 -0.55 8.42 7.11 3h15A1 LYS 335 HA -0.55 0.17 0.67 -0.75 4.32 3.85 3h15A1 LYS 335 HB2 -0.41 0.02 -0.04 -0.04 1.87 1.40 3h15A1 LYS 335 HB3 -0.44 -0.02 0.10 -0.04 1.79 1.39 3h15A1 LYS 335 HG2 -1.78 0.01 -0.10 -0.04 1.46 -0.45 3h15A1 LYS 335 HG3 -1.75 -0.02 -0.12 -0.04 1.46 -0.47 3h15A1 LYS 335 HD2 -0.34 0.02 -0.03 -0.04 1.69 1.30 3h15A1 LYS 335 HD3 -0.40 -0.02 -0.02 -0.04 1.68 1.21 3h15A1 LYS 335 HE2 -0.32 -0.02 -0.05 -0.04 2.99 2.56 3h15A1 LYS 335 HE3 -0.04 0.03 -0.04 -0.04 2.99 2.90 3h15A1 THR 336 H 0.09 0.40 -0.37 -0.55 8.28 7.86 3h15A1 THR 336 HA -0.08 -0.02 0.39 -0.75 4.39 3.93 3h15A1 THR 336 HB -0.17 0.00 0.01 -0.04 4.32 4.12 3h15A1 THR 336 HG23 -0.19 0.01 -0.07 -0.04 1.22 0.92 3h15A1 ASP 337 H -0.13 0.05 0.14 -0.55 8.40 7.92 3h15A1 ASP 337 HA -0.14 0.07 0.48 -0.75 4.63 4.28 3h15A1 ASP 337 HB2 -0.11 -0.08 0.10 -0.04 2.71 2.57 3h15A1 ASP 337 HB3 -0.11 0.14 0.01 -0.04 2.70 2.70 3h15A1 GLN 338 H -0.15 0.11 0.16 -0.55 8.47 8.04 3h15A1 GLN 338 HA -0.27 0.01 0.48 -0.75 4.36 3.83 3h15A1 GLN 338 HB2 -0.13 -0.02 0.10 -0.04 2.15 2.05 3h15A1 GLN 338 HB3 -0.10 -0.02 0.09 -0.04 2.02 1.96 3h15A1 GLN 338 HG2 -0.12 0.11 -0.22 -0.04 2.40 2.13 3h15A1 GLN 338 HG3 -0.07 -0.07 -0.11 -0.04 2.39 2.10 3h15A1 GLN 338 HE21 -0.03 -0.09 0.02 -0.04 6.97 6.83 3h15A1 GLN 338 HE22 -0.03 0.49 0.16 -0.04 7.69 8.26 3h15A1 GLY 339 H -0.15 0.75 0.34 -0.55 8.43 8.82 3h15A1 GLY 339 HA2 -0.07 -0.02 0.33 -0.51 4.01 3.74 3h15A1 GLY 339 HA3 -0.08 0.13 0.65 -0.51 4.01 4.20 3h15A1 THR 340 H -0.18 0.39 -0.22 -0.55 8.28 7.72 3h15A1 THR 340 HA -0.09 0.15 0.66 -0.75 4.39 4.36 3h15A1 THR 340 HB -0.25 -0.07 0.07 -0.04 4.32 4.03 3h15A1 THR 340 HG23 -0.08 -0.02 -0.14 -0.04 1.22 0.94 3h15A1 VAL 341 H -0.04 0.76 0.36 -0.55 8.24 8.77 3h15A1 VAL 341 HA 0.00 0.14 0.97 -0.75 4.13 4.49 3h15A1 VAL 341 HB -0.01 -0.04 -0.07 -0.04 2.12 1.96 3h15A1 VAL 341 HG13 -0.02 -0.02 -0.27 -0.04 0.97 0.62 3h15A1 VAL 341 HG23 0.05 -0.02 -0.25 -0.04 0.95 0.69 3h15A1 ILE 342 H 0.08 0.82 0.39 -0.55 8.25 8.99 3h15A1 ILE 342 HA 0.07 0.26 1.20 -0.75 4.18 4.95 3h15A1 ILE 342 HB 0.08 0.06 -0.10 -0.04 1.89 1.89 3h15A1 ILE 342 HG12 0.11 0.01 -0.11 -0.04 1.49 1.46 3h15A1 ILE 342 HG13 0.10 -0.10 -0.37 -0.04 1.21 0.80 3h15A1 ILE 342 HG23 0.04 0.00 -0.31 -0.04 0.93 0.62 3h15A1 ILE 342 HD13 0.27 0.00 -0.24 -0.04 0.88 0.87 3h15A1 GLY 343 H 0.06 0.85 0.37 -0.55 8.43 9.16 3h15A1 GLY 343 HA2 -0.20 0.22 1.02 -0.51 4.01 4.55 3h15A1 GLY 343 HA3 -0.05 -0.00 0.36 -0.51 4.01 3.80 3h15A1 LEU 344 H -0.30 0.80 0.31 -0.55 8.37 8.63 3h15A1 LEU 344 HA -0.15 0.41 1.06 -0.75 4.35 4.92 3h15A1 LEU 344 HB2 -0.01 -0.03 -0.22 -0.04 1.64 1.34 3h15A1 LEU 344 HB3 -0.03 -0.08 -0.02 -0.04 1.64 1.47 3h15A1 LEU 344 HG -0.16 -0.00 -0.34 -0.04 1.64 1.10 3h15A1 LEU 344 HD13 -0.03 0.04 -0.15 -0.04 0.93 0.74 3h15A1 LEU 344 HD23 0.15 -0.03 -0.21 -0.04 0.89 0.76 3h15A1 LEU 345 H -0.28 0.60 0.24 -0.55 8.37 8.39 3h15A1 LEU 345 HA -0.67 0.21 1.11 -0.75 4.35 4.25 3h15A1 LEU 345 HB2 -0.25 -0.03 0.14 -0.04 1.64 1.46 3h15A1 LEU 345 HB3 -0.33 0.07 -0.03 -0.04 1.64 1.30 3h15A1 LEU 345 HG -0.29 -0.03 -0.15 -0.04 1.64 1.12 3h15A1 LEU 345 HD13 -0.18 -0.03 -0.24 -0.04 0.93 0.45 3h15A1 LEU 345 HD23 -0.16 0.02 -0.11 -0.04 0.89 0.59 3h15A1 ASN 346 H -2.02 0.35 0.18 -0.55 8.53 6.50 3h15A1 ASN 346 HA -1.34 0.03 0.39 -0.75 4.76 3.09 3h15A1 ASN 346 HB2 -0.33 0.06 -0.27 -0.04 2.88 2.30 3h15A1 ASN 346 HB3 -0.20 0.00 0.22 -0.04 2.79 2.77 3h15A1 ASN 346 HD21 -0.18 -0.02 -0.06 -0.04 7.03 6.72 3h15A1 ASN 346 HD22 -0.25 -0.01 -0.14 -0.04 7.74 7.30 3h15A1 ALA 347 H -0.74 -0.05 -0.29 -0.55 8.40 6.77 3h15A1 ALA 347 HA -0.02 0.09 0.60 -0.75 4.34 4.25 3h15A1 ALA 347 HB3 0.17 -0.02 -0.12 -0.04 1.41 1.40 3h15A1 ASN 348 H 0.09 0.69 0.34 -0.55 8.53 9.11 3h15A1 ASN 348 HA 0.14 0.26 0.92 -0.75 4.76 5.32 3h15A1 ASN 348 HB2 0.06 -0.14 0.06 -0.04 2.88 2.82 3h15A1 ASN 348 HB3 0.05 0.10 -0.02 -0.04 2.79 2.88 3h15A1 ASN 348 HD21 0.04 0.01 -0.06 -0.04 7.03 6.99 3h15A1 ASN 348 HD22 0.08 0.07 -0.04 -0.04 7.74 7.81 3h15A1 PRO 349 HA 0.04 0.13 0.66 -0.51 4.44 4.76 3h15A1 PRO 349 HB2 0.01 0.04 0.07 -0.04 2.28 2.35 3h15A1 PRO 349 HB3 0.00 0.02 0.12 -0.04 2.02 2.12 3h15A1 PRO 349 HG2 0.01 -0.00 0.08 -0.04 2.03 2.08 3h15A1 PRO 349 HG3 0.02 -0.00 0.02 -0.04 2.03 2.02 3h15A1 PRO 349 HD2 0.07 0.08 0.22 -0.04 3.68 4.01 3h15A1 PRO 349 HD3 0.15 0.30 0.19 -0.04 3.65 4.25 3h15A1 MET 350 H -0.02 0.49 0.32 -0.55 8.47 8.72 3h15A1 MET 350 HA -0.05 0.03 0.57 -0.75 4.52 4.32 3h15A1 MET 350 HB2 -0.13 0.03 -0.06 -0.04 2.15 1.95 3h15A1 MET 350 HB3 -0.18 -0.03 0.06 -0.04 2.03 1.83 3h15A1 MET 350 HG2 -0.06 0.04 -0.19 -0.04 2.63 2.38 3h15A1 MET 350 HG3 -0.23 -0.12 -0.30 -0.04 2.56 1.87 3h15A1 MET 350 HE3 -1.04 0.00 -0.08 -0.04 2.10 0.94 3h15A1 LYS 351 H -0.07 0.04 0.10 -0.55 8.42 7.94 3h15A1 LYS 351 HA -0.04 0.13 0.56 -0.75 4.32 4.22 3h15A1 LYS 351 HB2 -0.06 -0.08 0.11 -0.04 1.87 1.80 3h15A1 LYS 351 HB3 -0.04 0.07 -0.09 -0.04 1.79 1.69 3h15A1 LYS 351 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.39 3h15A1 LYS 351 HG3 -0.04 -0.02 0.02 -0.04 1.46 1.38 3h15A1 LYS 351 HD2 -0.03 0.07 0.09 -0.04 1.69 1.79 3h15A1 LYS 351 HD3 -0.03 0.04 0.04 -0.04 1.68 1.69 3h15A1 LYS 351 HE2 -0.02 -0.01 0.01 -0.04 2.99 2.92 3h15A1 LYS 351 HE3 -0.03 -0.03 0.02 -0.04 2.99 2.91 3h15A1 PRO 352 HA -0.02 0.05 0.42 -0.51 4.44 4.39 3h15A1 PRO 352 HB2 -0.01 -0.02 -0.03 -0.04 2.28 2.17 3h15A1 PRO 352 HB3 -0.01 0.05 0.05 -0.04 2.02 2.07 3h15A1 PRO 352 HG2 -0.01 0.02 0.08 -0.04 2.03 2.07 3h15A1 PRO 352 HG3 -0.02 0.09 0.09 -0.04 2.03 2.15 3h15A1 PRO 352 HD2 -0.02 0.06 0.18 -0.04 3.68 3.86 3h15A1 PRO 352 HD3 -0.02 0.13 0.26 -0.04 3.65 3.98 3h15A1 LYS 353 H -0.01 0.14 0.16 -0.55 8.42 8.15 3h15A1 LYS 353 HA -0.01 0.11 0.83 -0.75 4.32 4.50 3h15A1 LYS 353 HB2 0.00 0.05 0.03 -0.04 1.87 1.92 3h15A1 LYS 353 HB3 -0.02 0.02 0.02 -0.04 1.79 1.77 3h15A1 GLU 354 H -0.00 0.13 0.14 -0.55 8.60 8.32 3h15A1 GLU 354 HA 0.00 0.02 0.43 -0.75 4.29 3.99 3h15A1 GLU 354 HB2 -0.00 0.02 0.16 -0.04 2.09 2.23 3h15A1 GLU 354 HB3 0.00 0.01 0.01 -0.04 1.99 1.98 3h15A1 GLU 354 HG2 0.00 -0.02 0.05 -0.04 2.34 2.33 3h15A1 GLU 354 HG3 0.00 0.02 0.08 -0.04 2.34 2.40 3h15A1 GLY 355 H 0.01 0.11 0.17 -0.55 8.43 8.17 3h15A1 GLY 355 HA2 0.01 -0.01 0.34 -0.51 4.01 3.84 3h15A1 GLY 355 HA3 0.01 0.13 0.50 -0.51 4.01 4.15 3h15A1 THR 356 H 0.01 0.35 -0.12 -0.55 8.28 7.97 3h15A1 THR 356 HA 0.02 0.27 1.22 -0.75 4.39 5.15 3h15A1 THR 356 HB 0.03 -0.24 0.03 -0.04 4.32 4.09 3h15A1 THR 356 HG23 0.03 0.01 -0.05 -0.04 1.22 1.18 3h15A1 ASP 357 H 0.03 0.18 0.16 -0.55 8.40 8.22 3h15A1 ASP 357 HA 0.02 0.14 0.52 -0.75 4.63 4.55 3h15A1 ASP 357 HB2 0.02 0.01 0.08 -0.04 2.71 2.79 3h15A1 ASP 357 HB3 0.04 0.00 0.06 -0.04 2.70 2.76 3h15A1 GLU 358 H 0.03 0.12 -0.52 -0.55 8.60 7.68 3h15A1 GLU 358 HA 0.06 0.11 0.15 -0.75 4.29 3.85 3h15A1 GLU 358 HB2 0.05 -0.06 -0.01 -0.04 2.09 2.03 3h15A1 GLU 358 HB3 0.05 0.02 0.00 -0.04 1.99 2.03 3h15A1 GLU 358 HG2 0.10 0.02 -0.38 -0.04 2.34 2.04 3h15A1 GLU 358 HG3 0.09 0.01 -0.07 -0.04 2.34 2.34 3h15A1 VAL 359 H 0.07 0.20 0.23 -0.55 8.24 8.19 3h15A1 VAL 359 HA 0.04 0.18 0.89 -0.75 4.13 4.48 3h15A1 VAL 359 HB 0.07 0.01 0.26 -0.04 2.12 2.41 3h15A1 VAL 359 HG13 0.04 -0.00 -0.17 -0.04 0.97 0.79 3h15A1 VAL 359 HG23 0.02 0.01 0.04 -0.04 0.95 0.98 3h15A1 CYS 360 H 0.04 0.28 0.19 -0.55 8.50 8.46 3h15A1 CYS 360 HA 0.17 0.32 1.11 -0.75 4.58 5.42 3h15A1 CYS 360 HB2 -0.07 -0.01 0.06 -0.04 2.97 2.91 3h15A1 CYS 360 HB3 -0.06 0.02 0.00 -0.04 2.97 2.88 3h15A1 LEU 361 H 0.19 0.64 0.42 -0.55 8.37 9.08 3h15A1 LEU 361 HA 0.07 0.29 0.99 -0.75 4.35 4.95 3h15A1 LEU 361 HB2 0.15 -0.05 -0.13 -0.04 1.64 1.57 3h15A1 LEU 361 HB3 0.16 0.04 -0.18 -0.04 1.64 1.62 3h15A1 LEU 361 HG 0.10 0.05 -0.79 -0.04 1.64 0.96 3h15A1 LEU 361 HD13 0.15 0.02 -0.25 -0.04 0.93 0.81 3h15A1 LEU 361 HD23 0.21 0.00 -0.28 -0.04 0.89 0.78 3h15A1 SER 362 H 0.09 0.60 0.33 -0.55 8.46 8.93 3h15A1 SER 362 HA 0.06 0.34 0.98 -0.75 4.49 5.12 3h15A1 SER 362 HB2 0.23 -0.04 0.10 -0.04 3.95 4.19 3h15A1 SER 362 HB3 0.23 -0.02 -0.00 -0.04 3.93 4.11 3h15A1 VAL 363 H 0.05 0.27 0.23 -0.55 8.24 8.23 3h15A1 VAL 363 HA 0.02 0.21 0.93 -0.75 4.13 4.54 3h15A1 VAL 363 HB -0.02 0.04 0.02 -0.04 2.12 2.11 3h15A1 VAL 363 HG13 -0.05 0.03 -0.23 -0.04 0.97 0.68 3h15A1 VAL 363 HG23 -0.03 -0.01 -0.06 -0.04 0.95 0.81 3h15A1 ASP 364 H 0.01 0.30 0.13 -0.55 8.40 8.29 3h15A1 ASP 364 HA 0.04 0.07 0.40 -0.75 4.63 4.38 3h15A1 ASP 364 HB2 0.01 0.01 0.18 -0.04 2.71 2.87 3h15A1 ASP 364 HB3 0.01 0.02 0.10 -0.04 2.70 2.79 3h15A1 ASN 365 H 0.02 0.12 -0.77 -0.55 8.53 7.35 3h15A1 ASN 365 HA 0.02 0.13 0.61 -0.75 4.76 4.77 3h15A1 ASN 365 HB2 -0.00 0.22 -0.46 -0.04 2.88 2.60 3h15A1 ASN 365 HB3 -0.01 -0.03 -0.09 -0.04 2.79 2.61 3h15A1 ASN 365 HD21 0.00 -0.00 0.02 -0.04 7.03 7.01 3h15A1 ASN 365 HD22 -0.00 0.09 0.04 -0.04 7.74 7.82 3h15A1 PRO 366 HA 0.17 0.06 0.34 -0.51 4.44 4.50 3h15A1 PRO 366 HB2 0.04 0.06 -0.02 -0.04 2.28 2.32 3h15A1 PRO 366 HB3 0.00 0.10 0.05 -0.04 2.02 2.13 3h15A1 PRO 366 HG2 0.01 0.09 0.02 -0.04 2.03 2.11 3h15A1 PRO 366 HG3 0.03 -0.01 -0.16 -0.04 2.03 1.85 3h15A1 PRO 366 HD2 0.02 0.16 0.18 -0.04 3.68 4.00 3h15A1 PRO 366 HD3 0.03 0.12 0.15 -0.04 3.65 3.91 3h15A1 GLN 367 H 0.03 0.06 -0.46 -0.55 8.47 7.56 3h15A1 GLN 367 HA 0.06 0.18 0.38 -0.75 4.36 4.24 3h15A1 GLN 367 HB2 0.00 -0.03 -0.00 -0.04 2.15 2.08 3h15A1 GLN 367 HB3 -0.01 0.05 0.01 -0.04 2.02 2.04 3h15A1 GLN 367 HG2 0.01 0.01 -0.01 -0.04 2.40 2.37 3h15A1 GLN 367 HG3 0.03 0.05 -0.00 -0.04 2.39 2.42 3h15A1 GLN 367 HE21 0.02 -0.00 -0.11 -0.04 6.97 6.85 3h15A1 GLN 367 HE22 0.06 0.08 -0.13 -0.04 7.69 7.66 3h15A1 LYS 368 H -0.01 0.43 -0.28 -0.55 8.42 8.01 3h15A1 LYS 368 HA -0.11 0.10 0.53 -0.75 4.32 4.09 3h15A1 LYS 368 HB2 -0.07 -0.03 0.01 -0.04 1.87 1.74 3h15A1 LYS 368 HB3 -0.15 0.13 0.15 -0.04 1.79 1.88 3h15A1 LYS 368 HG2 -0.05 -0.13 -0.02 -0.04 1.46 1.22 3h15A1 LYS 368 HG3 -0.05 -0.19 0.04 -0.04 1.46 1.21 3h15A1 LYS 368 HD2 -0.18 0.49 0.06 -0.04 1.69 2.01 3h15A1 LYS 368 HD3 -0.12 -0.05 -0.07 -0.04 1.68 1.41 3h15A1 LYS 368 HE2 -0.09 0.02 -0.03 -0.04 2.99 2.84 3h15A1 LYS 368 HE3 -0.05 -0.10 -0.06 -0.04 2.99 2.74 3h15A1 VAL 369 H -0.03 0.35 -0.42 -0.55 8.24 7.58 3h15A1 VAL 369 HA -0.09 0.30 1.10 -0.75 4.13 4.69 3h15A1 VAL 369 HB -0.47 0.08 0.13 -0.04 2.12 1.81 3h15A1 VAL 369 HG13 -0.08 -0.02 -0.24 -0.04 0.97 0.59 3h15A1 VAL 369 HG23 -0.12 -0.03 -0.19 -0.04 0.95 0.57 3h15A1 LEU 370 H -0.05 0.87 0.24 -0.55 8.37 8.88 3h15A1 LEU 370 HA 0.00 0.17 0.77 -0.75 4.35 4.53 3h15A1 LEU 370 HB2 -0.03 0.10 -0.06 -0.04 1.64 1.60 3h15A1 LEU 370 HB3 -0.00 -0.14 0.18 -0.04 1.64 1.64 3h15A1 LEU 370 HG 0.04 0.00 -0.36 -0.04 1.64 1.29 3h15A1 LEU 370 HD13 0.02 0.01 -0.04 -0.04 0.93 0.88 3h15A1 LEU 370 HD23 0.04 -0.02 -0.10 -0.04 0.89 0.78 3h15A1 LEU 371 H 0.03 0.23 0.15 -0.55 8.37 8.24 3h15A1 LEU 371 HA 0.02 0.11 0.75 -0.75 4.35 4.48 3h15A1 LEU 371 HB2 0.04 0.01 0.14 -0.04 1.64 1.79 3h15A1 LEU 371 HB3 0.02 -0.02 0.05 -0.04 1.64 1.65 3h15A1 LEU 371 HG 0.10 0.06 0.07 -0.04 1.64 1.83 3h15A1 LEU 371 HD13 0.11 0.00 0.02 -0.04 0.93 1.02 3h15A1 LEU 371 HD23 0.05 -0.01 -0.14 -0.04 0.89 0.75 3h15A1 MET 372 H 0.03 0.66 0.38 -0.55 8.47 8.99 3h15A1 MET 372 HA 0.03 0.13 0.86 -0.75 4.52 4.78 3h15A1 MET 372 HB2 0.04 0.07 -0.10 -0.04 2.15 2.12 3h15A1 MET 372 HB3 0.03 -0.10 0.02 -0.04 2.03 1.94 3h15A1 MET 372 HG2 0.09 -0.01 -0.23 -0.04 2.63 2.43 3h15A1 MET 372 HG3 0.09 0.14 -0.31 -0.04 2.56 2.44 3h15A1 MET 372 HE3 -0.02 -0.03 -0.11 -0.04 2.10 1.90 3h15A1 GLY 373 H -0.01 0.15 0.18 -0.55 8.43 8.20 3h15A1 GLY 373 HA2 -0.02 0.12 0.29 -0.51 4.01 3.88 3h15A1 GLY 373 HA3 -0.02 0.24 0.82 -0.51 4.01 4.54 3h15A1 ASP 374 H -0.04 0.61 0.17 -0.55 8.40 8.58 3h15A1 ASP 374 HA -0.06 0.15 0.70 -0.75 4.63 4.67 3h15A1 ASP 374 HB2 -0.05 0.04 0.15 -0.04 2.71 2.80 3h15A1 ASP 374 HB3 -0.06 0.04 -0.09 -0.04 2.70 2.55 3h15A1 ALA 375 H -0.06 0.75 0.30 -0.55 8.40 8.85 3h15A1 ALA 375 HA -0.05 0.07 0.64 -0.75 4.34 4.25 3h15A1 ALA 375 HB3 -0.04 -0.01 0.13 -0.04 1.41 1.45 3h15A1 VAL 376 H -0.07 0.50 0.33 -0.55 8.24 8.45 3h15A1 VAL 376 HA -0.07 0.09 0.22 -0.75 4.13 3.62 3h15A1 VAL 376 HB -0.11 -0.08 0.08 -0.04 2.12 1.97 3h15A1 VAL 376 HG13 -0.10 0.14 -0.14 -0.04 0.97 0.83 3h15A1 VAL 376 HG23 -0.14 0.02 0.04 -0.04 0.95 0.83 3h15A1 ASP 377 H -0.05 -0.01 -0.41 -0.55 8.40 7.38 3h15A1 ASP 377 HA -0.04 0.30 0.79 -0.75 4.63 4.92 3h15A1 ASP 377 HB2 -0.04 0.02 0.03 -0.04 2.71 2.68 3h15A1 ASP 377 HB3 -0.03 -0.27 0.15 -0.04 2.70 2.51 3h15A1 LEU 378 H -0.04 0.36 -0.14 -0.55 8.37 8.00 3h15A1 LEU 378 HA -0.02 0.02 0.62 -0.75 4.35 4.21 3h15A1 LEU 378 HB2 -0.03 -0.09 0.12 -0.04 1.64 1.60 3h15A1 LEU 378 HB3 -0.03 0.12 0.21 -0.04 1.64 1.90 3h15A1 LEU 378 HG -0.01 0.05 -0.22 -0.04 1.64 1.41 3h15A1 LEU 378 HD13 0.00 -0.01 0.02 -0.04 0.93 0.90 3h15A1 LEU 378 HD23 -0.03 -0.00 0.01 -0.04 0.89 0.83 3h15A1 GLY 379 H -0.01 0.48 0.46 -0.55 8.43 8.82 3h15A1 GLY 379 HA2 -0.01 0.19 0.89 -0.51 4.01 4.57 3h15A1 GLY 379 HA3 -0.02 0.00 0.21 -0.51 4.01 3.70 3h15A1 THR 380 H -0.01 0.21 0.14 -0.55 8.28 8.08 3h15A1 THR 380 HA 0.02 0.24 0.97 -0.75 4.39 4.86 3h15A1 THR 380 HB 0.01 -0.06 0.04 -0.04 4.32 4.27 3h15A1 THR 380 HG23 0.03 0.01 -0.21 -0.04 1.22 1.01 3h15A1 CYS 381 H 0.05 0.55 0.07 -0.55 8.50 8.62 3h15A1 CYS 381 HA 0.05 0.16 0.42 -0.75 4.58 4.45 3h15A1 CYS 381 HB2 0.10 0.01 0.04 -0.04 2.97 3.08 3h15A1 CYS 381 HB3 0.13 -0.05 0.00 -0.04 2.97 3.01 3h15A1 LYS 382 H -0.00 0.33 0.35 -0.55 8.42 8.54 3h15A1 LYS 382 HA 0.02 0.16 0.50 -0.75 4.32 4.24 3h15A1 LYS 382 HB2 -0.11 0.08 0.15 -0.04 1.87 1.95 3h15A1 LYS 382 HB3 -0.16 -0.10 0.05 -0.04 1.79 1.54 3h15A1 LYS 382 HG2 0.03 -0.03 0.04 -0.04 1.46 1.46 3h15A1 LYS 382 HG3 -0.02 0.02 0.11 -0.04 1.46 1.53 3h15A1 LYS 382 HD2 -0.13 0.02 0.02 -0.04 1.69 1.56 3h15A1 LYS 382 HD3 -0.07 -0.05 -0.03 -0.04 1.68 1.49 3h15A1 LYS 382 HE2 -0.02 0.02 0.02 -0.04 2.99 2.97 3h15A1 LYS 382 HE3 -0.02 -0.02 0.00 -0.04 2.99 2.92 3h15A1 ALA 383 H 0.22 -0.12 -0.23 -0.55 8.40 7.71 3h15A1 ALA 383 HA 0.08 0.14 0.44 -0.75 4.34 4.25 3h15A1 ALA 383 HB3 0.07 -0.02 0.06 -0.04 1.41 1.48 3h15A1 ARG 384 H -0.09 0.18 0.16 -0.55 8.46 8.16 3h15A1 ARG 384 HA 0.03 -0.01 1.06 -0.75 4.34 4.67 3h15A1 ARG 384 HB2 -0.01 -0.09 0.05 -0.04 1.90 1.81 3h15A1 ARG 384 HB3 -0.01 0.09 -0.09 -0.04 1.80 1.75 3h15A1 ARG 384 HG2 0.01 0.27 -0.15 -0.04 1.67 1.76 3h15A1 ARG 384 HG3 0.02 -0.02 -0.02 -0.04 1.67 1.61 3h15A1 ARG 384 HD2 0.01 0.01 -0.07 -0.04 3.22 3.12 3h15A1 ARG 384 HD3 0.00 -0.04 -0.06 -0.04 3.22 3.07 3h15A1 LYS 385 H 0.05 0.38 0.09 -0.55 8.42 8.39 3h15A1 LYS 385 HA 0.11 -0.08 0.31 -0.75 4.32 3.91 3h15A1 LYS 385 HB2 0.04 0.20 -0.08 -0.04 1.87 1.98 3h15A1 LYS 385 HB3 0.04 -0.04 -0.13 -0.04 1.79 1.62 3h15A1 LYS 385 HG2 0.09 -0.06 -0.06 -0.04 1.46 1.39 3h15A1 LYS 385 HG3 0.07 0.06 -0.25 -0.04 1.46 1.30 3h15A1 LYS 385 HD2 0.02 -0.01 -0.11 -0.04 1.69 1.55 3h15A1 LYS 385 HD3 0.02 -0.01 -0.07 -0.04 1.68 1.58 3h15A1 LYS 385 HE2 0.01 -0.00 -0.05 -0.04 2.99 2.91 3h15A1 LYS 385 HE3 0.03 -0.10 -0.03 -0.04 2.99 2.84 3h15A1 LYS 386 H 0.02 0.09 0.24 -0.55 8.42 8.22 3h15A1 LYS 386 HA -0.02 0.04 0.26 -0.75 4.32 3.84 3h15A1 LYS 386 HB2 0.02 -0.01 0.25 -0.04 1.87 2.09 3h15A1 LYS 386 HB3 -0.01 0.01 0.15 -0.04 1.79 1.91 3h15A1 LYS 386 HG2 -0.04 0.05 0.17 -0.04 1.46 1.60 3h15A1 LYS 386 HG3 0.08 -0.09 0.17 -0.04 1.46 1.58 3h15A1 LYS 386 HD2 0.03 0.01 0.07 -0.04 1.69 1.76 3h15A1 LYS 386 HD3 0.11 0.02 0.07 -0.04 1.68 1.84 3h15A1 LYS 386 HE2 0.04 -0.00 0.04 -0.04 2.99 3.03 3h15A1 LYS 386 HE3 0.04 -0.03 0.05 -0.04 2.99 3.01 3h15A1 ASN 387 H -0.00 0.19 0.16 -0.55 8.53 8.33 3h15A1 ASN 387 HA 0.00 0.01 0.69 -0.75 4.76 4.71 3h15A1 GLY 388 H 0.01 0.23 0.05 -0.55 8.43 8.17 3h15A1 GLY 388 HA2 0.00 0.09 0.33 -0.51 4.01 3.93 3h15A1 GLY 388 HA3 0.01 -0.08 0.51 -0.51 4.01 3.94 3h15A1 ASP 389 H 0.01 0.07 0.12 -0.55 8.40 8.05 3h15A1 ASP 389 HA 0.01 0.07 0.47 -0.75 4.63 4.43 3h15A1 ASP 389 HB2 0.02 -0.04 -0.16 -0.04 2.71 2.48 3h15A1 ASP 389 HB3 0.02 0.11 0.06 -0.04 2.70 2.85 3h15A1 PRO 390 HA 0.03 0.07 0.67 -0.51 4.44 4.71 3h15A1 PRO 390 HB2 0.03 0.16 0.01 -0.04 2.28 2.44 3h15A1 PRO 390 HB3 0.03 0.07 0.12 -0.04 2.02 2.19 3h15A1 PRO 390 HG2 0.02 0.05 0.08 -0.04 2.03 2.13 3h15A1 PRO 390 HG3 0.02 0.02 0.09 -0.04 2.03 2.11 3h15A1 PRO 390 HD2 0.02 0.10 0.19 -0.04 3.68 3.95 3h15A1 PRO 390 HD3 0.01 0.02 0.26 -0.04 3.65 3.91 3h15A1 CYS 391 H 0.08 0.53 0.20 -0.55 8.50 8.76 3h15A1 CYS 391 HA 0.10 -0.01 0.43 -0.75 4.58 4.35 3h15A1 CYS 391 HB2 0.31 -0.05 -0.17 -0.04 2.97 3.02 3h15A1 CYS 391 HB3 0.18 0.17 -0.09 -0.04 2.97 3.19 3h15A1 THR 392 H 0.06 0.03 0.16 -0.55 8.28 7.98 3h15A1 THR 392 HA 0.04 0.28 0.76 -0.75 4.39 4.72 3h15A1 THR 392 HB 0.03 0.07 -0.00 -0.04 4.32 4.38 3h15A1 THR 392 HG23 0.03 -0.03 -0.08 -0.04 1.22 1.10 3h15A1 GLN 393 H 0.07 -0.01 -0.05 -0.55 8.47 7.93 3h15A1 GLN 393 HA 0.07 0.09 0.42 -0.75 4.36 4.19 3h15A1 GLN 393 HB2 0.08 -0.04 0.11 -0.04 2.15 2.25 3h15A1 GLN 393 HB3 0.07 -0.08 0.06 -0.04 2.02 2.03 3h15A1 GLN 393 HG2 0.09 -0.17 0.03 -0.04 2.40 2.31 3h15A1 GLN 393 HG3 0.08 0.15 0.08 -0.04 2.39 2.67 3h15A1 GLN 393 HE21 0.22 0.03 0.02 -0.04 6.97 7.20 3h15A1 GLN 393 HE22 0.13 0.06 0.04 -0.04 7.69 7.88 3h15A1 MET 394 H 0.08 0.08 0.23 -0.55 8.47 8.31 3h15A1 MET 394 HA 0.04 0.28 0.61 -0.75 4.52 4.69 3h15A1 MET 394 HB2 0.10 0.03 0.15 -0.04 2.15 2.39 3h15A1 MET 394 HB3 0.08 -0.04 0.11 -0.04 2.03 2.14 3h15A1 MET 394 HG2 0.02 -0.03 -0.09 -0.04 2.63 2.48 3h15A1 MET 394 HG3 0.04 0.13 0.13 -0.04 2.56 2.82 3h15A1 MET 394 HE3 0.18 0.02 0.01 -0.04 2.10 2.27 3h15A1 VAL 395 H 0.01 0.60 0.34 -0.55 8.24 8.64 3h15A1 VAL 395 HA -0.00 0.06 0.81 -0.75 4.13 4.25 3h15A1 VAL 395 HB 0.01 -0.02 -0.57 -0.04 2.12 1.50 3h15A1 VAL 395 HG13 -0.02 0.03 -0.47 -0.04 0.97 0.47 3h15A1 VAL 395 HG23 0.02 -0.01 -0.56 -0.04 0.95 0.37 3h15A1 ASN 396 H -0.01 0.18 0.13 -0.55 8.53 8.28 3h15A1 ASN 396 HA -0.02 0.24 1.00 -0.75 4.76 5.23 3h15A1 ASN 396 HB2 -0.02 0.16 0.20 -0.04 2.88 3.18 3h15A1 ASN 396 HB3 -0.02 -0.07 0.32 -0.04 2.79 2.99 3h15A1 ASN 396 HD21 -0.03 -0.02 0.03 -0.04 7.03 6.97 3h15A1 ASN 396 HD22 -0.03 0.30 0.11 -0.04 7.74 8.08 3h15A1 LEU 397 H -0.03 0.71 0.17 -0.55 8.37 8.67 3h15A1 LEU 397 HA -0.04 0.10 0.14 -0.75 4.35 3.79 3h15A1 LEU 397 HB2 -0.03 0.03 0.11 -0.04 1.64 1.71 3h15A1 LEU 397 HB3 -0.03 -0.01 -0.03 -0.04 1.64 1.53 3h15A1 LEU 397 HG -0.04 -0.01 -0.00 -0.04 1.64 1.54 3h15A1 LEU 397 HD13 -0.04 0.02 -0.12 -0.04 0.93 0.75 3h15A1 LEU 397 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.66 3h15A1 ASN 398 H -0.02 -0.02 -0.42 -0.55 8.53 7.53 3h15A1 ASN 398 HA -0.00 0.20 0.70 -0.75 4.76 4.90 3h15A1 ASN 398 HB2 -0.01 -0.03 -0.02 -0.04 2.88 2.78 3h15A1 ASN 398 HB3 -0.01 -0.02 -0.01 -0.04 2.79 2.71 3h15A1 ASN 398 HD21 0.05 -0.03 -0.05 -0.04 7.03 6.95 3h15A1 ASN 398 HD22 -0.00 0.01 -0.09 -0.04 7.74 7.62 3h15A1 ASP 399 H -0.01 0.14 -0.08 -0.55 8.40 7.90 3h15A1 ASP 399 HA 0.00 0.14 0.81 -0.75 4.63 4.83 3h15A1 ASP 399 HB2 -0.01 -0.01 0.23 -0.04 2.71 2.87 3h15A1 ASP 399 HB3 -0.00 -0.01 0.06 -0.04 2.70 2.70 3h15A1 CYS 400 H -0.01 0.60 0.23 -0.55 8.50 8.77 3h15A1 CYS 400 HA 0.00 0.09 0.47 -0.75 4.58 4.39 3h15A1 CYS 400 HB2 0.02 0.03 -0.20 -0.04 2.97 2.78 3h15A1 CYS 400 HB3 0.02 0.04 -0.00 -0.04 2.97 2.99 3h15A1 GLU 401 H -0.09 0.09 0.14 -0.55 8.60 8.19 3h15A1 GLU 401 HA -0.13 0.15 0.37 -0.75 4.29 3.93 3h15A1 GLU 401 HB2 -0.22 0.03 0.06 -0.04 2.09 1.92 3h15A1 GLU 401 HB3 -0.71 -0.03 -0.01 -0.04 1.99 1.19 3h15A1 GLU 401 HG2 -0.23 -0.03 0.07 -0.04 2.34 2.11 3h15A1 GLU 401 HG3 -0.13 0.06 0.03 -0.04 2.34 2.25 3h15A1 TYR 402 H 0.01 0.03 0.04 -0.55 8.29 7.82 3h15A1 TYR 402 HA 0.06 -0.06 0.89 -0.75 4.56 4.71 3h15A1 TYR 402 HB2 0.05 0.12 0.08 -0.04 3.06 3.26 3h15A1 TYR 402 HB3 0.11 0.02 0.19 -0.04 2.98 3.25 3h15A1 TYR 402 HD2 0.04 -0.05 0.02 -0.04 7.15 7.12 3h15A1 TYR 402 HE2 0.01 0.03 -0.04 -0.04 6.85 6.81 3h15A1 CYS 403 H 0.20 0.01 0.10 -0.55 8.50 8.26 3h15A1 CYS 403 HA 0.03 0.26 0.58 -0.75 4.58 4.69 3h15A1 CYS 403 HB2 0.02 0.02 0.10 -0.04 2.97 3.07 3h15A1 CYS 403 HB3 0.06 0.05 0.01 -0.04 2.97 3.05 3h15A1 GLN 404 H -0.13 0.17 0.11 -0.55 8.47 8.07 3h15A1 GLN 404 HA -0.12 0.13 0.29 -0.75 4.36 3.91 3h15A1 GLN 404 HB2 -0.23 0.03 0.09 -0.04 2.15 2.00 3h15A1 GLN 404 HB3 -0.50 -0.04 0.12 -0.04 2.02 1.56 3h15A1 GLN 404 HG2 -0.77 0.03 -0.47 -0.04 2.40 1.14 3h15A1 GLN 404 HG3 -0.29 0.02 -0.03 -0.04 2.39 2.05 3h15A1 GLN 404 HE21 -0.15 0.01 -0.03 -0.04 6.97 6.75 3h15A1 GLN 404 HE22 -0.27 0.02 -0.07 -0.04 7.69 7.32 3h15A1 TYR 405 H -0.15 -0.00 -0.31 -0.55 8.29 7.28 3h15A1 TYR 405 HA -0.05 0.19 0.41 -0.75 4.56 4.36 3h15A1 TYR 405 HB2 -0.36 -0.05 -0.01 -0.04 3.06 2.61 3h15A1 TYR 405 HB3 -0.14 0.05 0.14 -0.04 2.98 2.99 3h15A1 TYR 405 HD2 -0.07 0.00 -0.02 -0.04 7.15 7.03 3h15A1 TYR 405 HE2 -0.01 0.03 -0.02 -0.04 6.85 6.80 3h15A1 HIS 406 H 0.04 0.43 -0.73 -0.55 8.41 7.61 3h15A1 HIS 406 HA 0.02 0.16 0.68 -0.75 4.63 4.73 3h15A1 HIS 406 HB2 0.10 -0.15 0.09 -0.04 3.26 3.26 3h15A1 HIS 406 HB3 -0.00 0.03 0.03 -0.04 3.20 3.21 3h15A1 HIS 406 HD2 0.06 0.28 0.19 -0.04 6.97 7.45 3h15A1 HIS 406 HE1 0.06 -0.05 -0.21 -0.04 7.75 7.51 3h15A1 VAL 407 H 0.03 0.27 -0.06 -0.55 8.24 7.93 3h15A1 VAL 407 HA -0.10 0.22 0.71 -0.75 4.13 4.21 3h15A1 VAL 407 HB -0.01 0.01 0.03 -0.04 2.12 2.10 3h15A1 VAL 407 HG13 0.02 -0.01 -0.30 -0.04 0.97 0.64 3h15A1 VAL 407 HG23 0.00 0.00 -0.03 -0.04 0.95 0.88