============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 4 0.840 40.207 35.367 36.579 -99.200 -91.000 TYR 17 0.840 53.231 45.926 32.980 -99.200 -91.000 HIS 18 0.900 59.604 44.240 39.686 -99.200 -91.000 PHE 27 1.000 50.816 49.938 46.868 -99.200 -91.000 TYR 46 0.840 34.422 41.673 29.601 -99.200 -91.000 HIS 47 0.900 34.864 48.165 24.916 -99.200 -91.000 PHE 59 1.000 44.785 36.999 35.131 -99.200 -91.000 PHE 61 1.000 44.197 38.964 40.730 -99.200 -91.000 PHE 71 1.000 47.240 45.243 35.316 -99.200 -91.000 PHE 99 1.000 43.435 54.754 34.151 -99.200 -91.000 TRP 111 1.040 41.718 50.898 47.564 -99.200 -91.000 TRP6 111 1.020 42.062 51.582 49.823 -99.200 -91.000 TRP 115 1.040 40.555 51.469 54.989 -99.200 -91.000 TRP6 115 1.020 39.533 52.560 56.837 -99.200 -91.000 TYR 119 0.840 37.244 52.067 61.247 -99.200 -91.000 TRP 138 1.040 52.149 52.737 63.367 -99.200 -91.000 TRP6 138 1.020 50.205 54.036 63.785 -99.200 -91.000 PHE 141 1.000 43.117 49.564 58.344 -99.200 -91.000 PHE 142 1.000 44.140 53.550 60.934 -99.200 -91.000 TYR 163 0.840 55.740 53.348 39.220 -99.200 -91.000 TYR 174 0.840 48.929 26.392 32.711 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ih6A1 SER 255 HA 0.03 -0.09 0.21 -0.75 4.49 3.89 3ih6A1 SER 255 HB2 0.07 -0.06 0.01 -0.04 3.95 3.94 3ih6A1 SER 255 HB3 0.18 -0.04 0.04 -0.04 3.93 4.07 3ih6A1 ASN 256 H 0.03 0.15 0.12 -0.55 8.53 8.29 3ih6A1 ASN 256 HA 0.02 0.22 1.01 -0.75 4.76 5.26 3ih6A1 ASN 256 HB2 0.12 -0.07 0.09 -0.04 2.88 2.98 3ih6A1 ASN 256 HB3 0.38 -0.02 -0.01 -0.04 2.79 3.10 3ih6A1 ASN 256 HD21 0.06 0.03 -0.07 -0.04 7.03 7.00 3ih6A1 ASN 256 HD22 0.06 -0.06 -0.03 -0.04 7.74 7.67 3ih6A1 ALA 257 H -0.65 0.45 0.20 -0.55 8.40 7.85 3ih6A1 ALA 257 HA -0.01 0.08 0.80 -0.75 4.34 4.47 3ih6A1 ALA 257 HB3 -0.06 0.03 -0.20 -0.04 1.41 1.14 3ih6A1 TYR 258 H 0.15 0.21 0.10 -0.55 8.29 8.20 3ih6A1 TYR 258 HA 0.14 0.26 0.80 -0.75 4.56 5.01 3ih6A1 TYR 258 HB2 0.17 -0.03 -0.15 -0.04 3.06 3.01 3ih6A1 TYR 258 HB3 0.11 -0.05 0.10 -0.04 2.98 3.11 3ih6A1 TYR 258 HD2 0.18 0.01 -0.18 -0.04 7.15 7.12 3ih6A1 TYR 258 HE2 0.06 -0.02 -0.17 -0.04 6.85 6.67 3ih6A1 THR 259 H 0.30 0.86 0.31 -0.55 8.28 9.20 3ih6A1 THR 259 HA 0.19 0.12 1.07 -0.75 4.39 5.01 3ih6A1 THR 259 HB 0.27 0.04 0.08 -0.04 4.32 4.67 3ih6A1 THR 259 HG23 -0.01 -0.01 -0.24 -0.04 1.22 0.92 3ih6A1 VAL 260 H 0.19 0.19 0.20 -0.55 8.24 8.26 3ih6A1 VAL 260 HA 0.22 0.15 1.00 -0.75 4.13 4.75 3ih6A1 VAL 260 HB 0.11 -0.06 0.06 -0.04 2.12 2.19 3ih6A1 VAL 260 HG13 0.09 0.11 -0.02 -0.04 0.97 1.10 3ih6A1 VAL 260 HG23 0.21 -0.03 -0.19 -0.04 0.95 0.90 3ih6A1 GLU 261 H 0.12 0.71 0.37 -0.55 8.60 9.25 3ih6A1 GLU 261 HA 0.23 0.08 0.80 -0.75 4.29 4.65 3ih6A1 GLU 261 HB2 0.09 -0.08 0.08 -0.04 2.09 2.14 3ih6A1 GLU 261 HB3 0.09 0.00 0.12 -0.04 1.99 2.16 3ih6A1 GLU 261 HG2 -0.01 0.21 0.28 -0.04 2.34 2.78 3ih6A1 GLU 261 HG3 0.05 -0.05 0.12 -0.04 2.34 2.41 3ih6A1 PRO 262 HA 0.04 0.09 0.34 -0.51 4.44 4.41 3ih6A1 PRO 262 HB2 0.03 0.02 0.05 -0.04 2.28 2.35 3ih6A1 PRO 262 HB3 0.03 0.01 0.09 -0.04 2.02 2.11 3ih6A1 PRO 262 HG2 0.06 0.04 0.09 -0.04 2.03 2.17 3ih6A1 PRO 262 HG3 0.04 0.02 0.08 -0.04 2.03 2.13 3ih6A1 PRO 262 HD2 0.12 0.10 0.27 -0.04 3.68 4.13 3ih6A1 PRO 262 HD3 0.07 0.14 0.10 -0.04 3.65 3.91 3ih6A1 GLY 276 HA2 -0.02 -0.06 0.21 -0.51 4.01 3.63 3ih6A1 GLY 276 HA3 -0.04 0.01 0.12 -0.51 4.01 3.59 3ih6A1 GLY 277 H -0.03 0.07 -0.04 -0.55 8.43 7.87 3ih6A1 GLY 277 HA2 0.01 0.11 0.78 -0.51 4.01 4.39 3ih6A1 GLY 277 HA3 0.02 -0.11 0.38 -0.51 4.01 3.80 3ih6A1 THR 278 H 0.06 0.06 0.07 -0.55 8.28 7.93 3ih6A1 THR 278 HA 0.05 0.37 0.91 -0.75 4.39 4.97 3ih6A1 THR 278 HB 0.12 -0.10 0.12 -0.04 4.32 4.41 3ih6A1 THR 278 HG23 0.11 0.11 -0.09 -0.04 1.22 1.30 3ih6A1 PRO 279 HA -0.05 0.22 0.87 -0.51 4.44 4.97 3ih6A1 PRO 279 HB2 0.00 -0.04 0.00 -0.04 2.28 2.20 3ih6A1 PRO 279 HB3 -0.06 -0.02 0.16 -0.04 2.02 2.05 3ih6A1 PRO 279 HG2 0.02 -0.08 -0.08 -0.04 2.03 1.85 3ih6A1 PRO 279 HG3 -0.01 0.12 -0.08 -0.04 2.03 2.02 3ih6A1 PRO 279 HD2 0.02 0.18 -0.10 -0.04 3.68 3.74 3ih6A1 PRO 279 HD3 -0.01 0.20 -0.29 -0.04 3.65 3.51 3ih6A1 LEU 280 H 0.16 0.47 0.42 -0.55 8.37 8.87 3ih6A1 LEU 280 HA 0.14 0.23 0.75 -0.75 4.35 4.72 3ih6A1 LEU 280 HB2 0.28 -0.10 0.04 -0.04 1.64 1.82 3ih6A1 LEU 280 HB3 0.31 0.07 0.04 -0.04 1.64 2.02 3ih6A1 LEU 280 HG 0.22 0.11 0.08 -0.04 1.64 2.01 3ih6A1 LEU 280 HD13 0.26 -0.01 -0.26 -0.04 0.93 0.88 3ih6A1 LEU 280 HD23 0.41 -0.02 -0.17 -0.04 0.89 1.07 3ih6A1 VAL 281 H 0.08 0.54 0.38 -0.55 8.24 8.69 3ih6A1 VAL 281 HA 0.09 0.13 1.14 -0.75 4.13 4.73 3ih6A1 VAL 281 HB 0.03 0.06 0.12 -0.04 2.12 2.29 3ih6A1 VAL 281 HG13 0.03 -0.00 -0.08 -0.04 0.97 0.88 3ih6A1 VAL 281 HG23 -0.00 -0.00 -0.04 -0.04 0.95 0.86 3ih6A1 ALA 282 H 0.08 0.86 0.44 -0.55 8.40 9.23 3ih6A1 ALA 282 HA 0.06 0.20 1.05 -0.75 4.34 4.90 3ih6A1 ALA 282 HB3 0.21 0.01 -0.07 -0.04 1.41 1.52 3ih6A1 ALA 283 H 0.16 0.88 0.26 -0.55 8.40 9.15 3ih6A1 ALA 283 HA 0.02 0.22 0.55 -0.75 4.34 4.38 3ih6A1 ALA 283 HB3 0.12 -0.02 -0.02 -0.04 1.41 1.45 3ih6A1 TYR 285 HA 0.12 0.24 0.45 -0.75 4.56 4.63 3ih6A1 TYR 285 HB2 0.21 -0.10 0.02 -0.04 3.06 3.15 3ih6A1 TYR 285 HB3 0.18 0.07 -0.02 -0.04 2.98 3.17 3ih6A1 TYR 285 HD2 0.21 0.14 -0.38 -0.04 7.15 7.07 3ih6A1 TYR 285 HE2 0.12 0.02 -0.20 -0.04 6.85 6.75 3ih6A1 HIS 286 H 0.27 0.08 0.21 -0.55 8.41 8.43 3ih6A1 HIS 286 HA 0.12 0.25 0.77 -0.75 4.63 5.02 3ih6A1 HIS 286 HB2 0.15 -0.08 0.18 -0.04 3.26 3.47 3ih6A1 HIS 286 HB3 0.13 0.05 0.03 -0.04 3.20 3.37 3ih6A1 HIS 286 HD2 0.08 -0.07 0.03 -0.04 6.97 6.96 3ih6A1 HIS 286 HE1 0.04 -0.02 -0.02 -0.04 7.75 7.70 3ih6A1 LEU 287 H 0.11 0.58 0.10 -0.55 8.37 8.62 3ih6A1 LEU 287 HA -0.05 0.09 0.53 -0.75 4.35 4.16 3ih6A1 LEU 287 HB2 0.12 -0.09 -0.12 -0.04 1.64 1.51 3ih6A1 LEU 287 HB3 0.08 0.05 -0.03 -0.04 1.64 1.70 3ih6A1 LEU 287 HG 0.06 -0.04 -0.52 -0.04 1.64 1.10 3ih6A1 LEU 287 HD13 0.12 -0.04 -0.09 -0.04 0.93 0.88 3ih6A1 LEU 287 HD23 -0.13 0.01 -0.15 -0.04 0.89 0.58 3ih6A1 PRO 288 HA 0.08 0.08 0.59 -0.51 4.44 4.68 3ih6A1 PRO 288 HB2 -0.00 -0.06 0.00 -0.04 2.28 2.18 3ih6A1 PRO 288 HB3 -0.26 0.04 0.06 -0.04 2.02 1.82 3ih6A1 PRO 288 HG2 -0.07 -0.01 -0.22 -0.04 2.03 1.69 3ih6A1 PRO 288 HG3 -0.57 0.01 -0.21 -0.04 2.03 1.22 3ih6A1 PRO 288 HD2 -0.32 0.09 0.12 -0.04 3.68 3.54 3ih6A1 PRO 288 HD3 -1.23 0.22 0.08 -0.04 3.65 2.67 3ih6A1 ALA 289 H 0.08 0.07 0.13 -0.55 8.40 8.13 3ih6A1 ALA 289 HA 0.02 0.14 0.51 -0.75 4.34 4.25 3ih6A1 ALA 289 HB3 0.02 -0.00 0.12 -0.04 1.41 1.51 3ih6A1 ALA 290 H -0.16 0.23 0.20 -0.55 8.40 8.12 3ih6A1 ALA 290 HA -1.13 0.12 0.45 -0.75 4.34 3.02 3ih6A1 ALA 290 HB3 -0.45 0.04 0.11 -0.04 1.41 1.07 3ih6A1 GLY 291 H -0.09 0.02 -0.34 -0.55 8.43 7.48 3ih6A1 GLY 291 HA2 -0.07 0.14 0.53 -0.51 4.01 4.11 3ih6A1 GLY 291 HA3 -0.05 -0.00 0.20 -0.51 4.01 3.65 3ih6A1 SER 292 H -0.00 0.21 -0.40 -0.55 8.46 7.73 3ih6A1 SER 292 HA 0.03 0.13 0.58 -0.75 4.49 4.47 3ih6A1 SER 292 HB2 0.06 -0.01 0.11 -0.04 3.95 4.07 3ih6A1 SER 292 HB3 0.07 0.49 0.12 -0.04 3.93 4.57 3ih6A1 PRO 293 HA 0.01 0.13 0.41 -0.51 4.44 4.47 3ih6A1 PRO 293 HB2 0.01 0.02 0.09 -0.04 2.28 2.35 3ih6A1 PRO 293 HB3 -0.00 0.05 0.10 -0.04 2.02 2.13 3ih6A1 PRO 293 HG2 0.04 0.04 -0.01 -0.04 2.03 2.05 3ih6A1 PRO 293 HG3 0.02 0.05 0.06 -0.04 2.03 2.12 3ih6A1 PRO 293 HD2 0.04 0.06 0.20 -0.04 3.68 3.95 3ih6A1 PRO 293 HD3 0.02 0.20 0.22 -0.04 3.65 4.05 3ih6A1 ASP 294 H 0.06 0.04 -0.59 -0.55 8.40 7.36 3ih6A1 ASP 294 HA 0.03 0.19 0.88 -0.75 4.63 4.96 3ih6A1 ASP 294 HB2 0.05 0.02 -0.02 -0.04 2.71 2.71 3ih6A1 ASP 294 HB3 0.06 0.06 0.08 -0.04 2.70 2.86 3ih6A1 PHE 295 H 0.13 0.42 -0.15 -0.55 8.34 8.18 3ih6A1 PHE 295 HA -0.09 0.11 0.29 -0.75 4.62 4.17 3ih6A1 PHE 295 HB2 -0.04 0.26 0.03 -0.04 3.15 3.36 3ih6A1 PHE 295 HB3 -0.03 0.04 0.09 -0.04 3.06 3.12 3ih6A1 PHE 295 HD2 -0.00 0.10 -0.23 -0.04 7.28 7.11 3ih6A1 PHE 295 HE2 0.08 0.02 -0.06 -0.04 7.38 7.37 3ih6A1 PHE 295 HZ 0.06 0.07 -0.08 -0.04 7.32 7.33 3ih6A1 VAL 296 H 0.10 0.19 -0.16 -0.55 8.24 7.82 3ih6A1 VAL 296 HA -0.06 0.09 0.34 -0.75 4.13 3.74 3ih6A1 VAL 296 HB -0.08 0.01 -0.03 -0.04 2.12 1.98 3ih6A1 VAL 296 HG13 -0.28 0.01 -0.32 -0.04 0.97 0.33 3ih6A1 VAL 296 HG23 -0.15 0.02 0.02 -0.04 0.95 0.80 3ih6A1 GLY 297 H -0.06 0.10 -0.50 -0.55 8.43 7.42 3ih6A1 GLY 297 HA2 -0.06 -0.03 0.36 -0.51 4.01 3.77 3ih6A1 GLY 297 HA3 -0.03 0.11 0.24 -0.51 4.01 3.82 3ih6A1 LEU 298 H -0.14 0.48 -0.14 -0.55 8.37 8.03 3ih6A1 LEU 298 HA -0.01 -0.00 0.53 -0.75 4.35 4.12 3ih6A1 LEU 298 HB2 -0.25 0.09 0.10 -0.04 1.64 1.54 3ih6A1 LEU 298 HB3 -0.14 0.04 -0.07 -0.04 1.64 1.43 3ih6A1 LEU 298 HG 0.01 -0.14 -0.20 -0.04 1.64 1.28 3ih6A1 LEU 298 HD13 -0.11 0.07 -0.06 -0.04 0.93 0.78 3ih6A1 LEU 298 HD23 0.07 0.01 -0.03 -0.04 0.89 0.90 3ih6A1 ASP 299 H -0.25 0.51 -0.12 -0.55 8.40 7.98 3ih6A1 ASP 299 HA -0.05 0.10 0.51 -0.75 4.63 4.43 3ih6A1 ASP 299 HB2 -0.20 0.04 0.09 -0.04 2.71 2.61 3ih6A1 ASP 299 HB3 -0.01 0.06 0.16 -0.04 2.70 2.87 3ih6A1 LEU 300 H -0.09 0.59 -0.17 -0.55 8.37 8.15 3ih6A1 LEU 300 HA 0.02 0.03 0.27 -0.75 4.35 3.92 3ih6A1 LEU 300 HB2 -0.12 0.09 0.12 -0.04 1.64 1.69 3ih6A1 LEU 300 HB3 -0.12 -0.11 -0.02 -0.04 1.64 1.35 3ih6A1 LEU 300 HG -0.25 0.14 0.02 -0.04 1.64 1.51 3ih6A1 LEU 300 HD13 -0.20 -0.02 -0.05 -0.04 0.93 0.62 3ih6A1 LEU 300 HD23 -0.13 -0.03 -0.17 -0.04 0.89 0.53 3ih6A1 ALA 301 H -0.05 0.56 -0.05 -0.55 8.40 8.32 3ih6A1 ALA 301 HA -0.40 -0.08 0.33 -0.75 4.34 3.44 3ih6A1 ALA 301 HB3 0.16 0.03 0.09 -0.04 1.41 1.65 3ih6A1 ALA 302 H 0.06 0.55 -0.37 -0.55 8.40 8.09 3ih6A1 ALA 302 HA 0.39 0.01 0.37 -0.75 4.34 4.35 3ih6A1 ALA 302 HB3 0.06 0.06 -0.09 -0.04 1.41 1.40 3ih6A1 THR 303 H 0.02 0.38 -0.22 -0.55 8.28 7.92 3ih6A1 THR 303 HA 0.01 0.01 0.47 -0.75 4.39 4.13 3ih6A1 THR 303 HB -0.01 0.12 0.16 -0.04 4.32 4.55 3ih6A1 THR 303 HG23 0.01 -0.02 -0.08 -0.04 1.22 1.10 3ih6A1 ILE 304 H -0.13 0.43 -0.10 -0.55 8.25 7.89 3ih6A1 ILE 304 HA -0.09 0.03 0.39 -0.75 4.18 3.75 3ih6A1 ILE 304 HB -0.50 0.17 0.07 -0.04 1.89 1.60 3ih6A1 ILE 304 HG12 -0.24 0.03 -0.09 -0.04 1.49 1.15 3ih6A1 ILE 304 HG13 -0.28 0.21 0.04 -0.04 1.21 1.14 3ih6A1 ILE 304 HG23 -0.21 -0.05 -0.04 -0.04 0.93 0.59 3ih6A1 ILE 304 HD13 -0.82 -0.05 -0.15 -0.04 0.88 -0.18 3ih6A1 LEU 305 H -0.01 0.50 -0.28 -0.55 8.37 8.03 3ih6A1 LEU 305 HA 0.03 -0.11 0.53 -0.75 4.35 4.04 3ih6A1 LEU 305 HB2 0.08 0.13 0.13 -0.04 1.64 1.93 3ih6A1 LEU 305 HB3 -0.17 -0.04 0.01 -0.04 1.64 1.39 3ih6A1 LEU 305 HG 0.11 0.03 0.02 -0.04 1.64 1.76 3ih6A1 LEU 305 HD13 -0.16 -0.01 -0.18 -0.04 0.93 0.54 3ih6A1 LEU 305 HD23 -0.02 -0.02 -0.04 -0.04 0.89 0.77 3ih6A1 ALA 306 H 0.06 0.39 -0.18 -0.55 8.40 8.12 3ih6A1 ALA 306 HA 0.07 0.04 0.83 -0.75 4.34 4.52 3ih6A1 ALA 306 HB3 0.09 0.02 -0.28 -0.04 1.41 1.20 3ih6A1 ASP 307 H 0.02 0.61 0.13 -0.55 8.40 8.61 3ih6A1 ASP 307 HA 0.03 0.03 0.88 -0.75 4.63 4.82 3ih6A1 ASP 307 HB2 0.01 -0.01 0.10 -0.04 2.71 2.76 3ih6A1 ASP 307 HB3 0.00 0.08 0.16 -0.04 2.70 2.90 3ih6A1 THR 308 H -0.00 0.11 0.09 -0.55 8.28 7.93 3ih6A1 THR 308 HA -0.09 0.06 0.34 -0.75 4.39 3.94 3ih6A1 THR 308 HB -0.07 -0.01 0.13 -0.04 4.32 4.33 3ih6A1 THR 308 HG23 -0.02 -0.01 -0.25 -0.04 1.22 0.90 3ih6A1 PRO 309 HA -1.49 0.13 0.43 -0.51 4.44 3.00 3ih6A1 PRO 309 HB2 -0.20 0.01 -0.01 -0.04 2.28 2.04 3ih6A1 PRO 309 HB3 -0.49 0.06 0.06 -0.04 2.02 1.61 3ih6A1 PRO 309 HG2 -0.17 0.03 0.07 -0.04 2.03 1.91 3ih6A1 PRO 309 HG3 -0.42 0.09 0.04 -0.04 2.03 1.71 3ih6A1 PRO 309 HD2 -0.15 0.08 0.19 -0.04 3.68 3.77 3ih6A1 PRO 309 HD3 -0.20 0.10 0.16 -0.04 3.65 3.67 3ih6A1 SER 310 H -0.09 0.05 -0.35 -0.55 8.46 7.52 3ih6A1 SER 310 HA 0.10 0.13 0.40 -0.75 4.49 4.38 3ih6A1 SER 310 HB2 0.02 -0.02 0.08 -0.04 3.95 3.99 3ih6A1 SER 310 HB3 0.01 -0.05 0.01 -0.04 3.93 3.86 3ih6A1 SER 311 H 0.00 0.31 -0.64 -0.55 8.46 7.58 3ih6A1 SER 311 HA 0.03 0.25 0.34 -0.75 4.49 4.36 3ih6A1 SER 311 HB2 0.05 -0.03 -0.79 -0.04 3.95 3.14 3ih6A1 SER 311 HB3 0.03 0.24 -0.47 -0.04 3.93 3.69 3ih6A1 ARG 312 H 0.05 0.37 0.28 -0.55 8.46 8.61 3ih6A1 ARG 312 HA 0.06 0.04 0.42 -0.75 4.34 4.11 3ih6A1 ARG 312 HB2 0.02 0.02 0.14 -0.04 1.90 2.04 3ih6A1 ARG 312 HB3 0.02 -0.00 -0.02 -0.04 1.80 1.76 3ih6A1 ARG 312 HG2 0.10 0.07 -0.01 -0.04 1.67 1.79 3ih6A1 ARG 312 HG3 0.14 0.02 -0.02 -0.04 1.67 1.77 3ih6A1 ARG 312 HD2 0.03 -0.01 0.03 -0.04 3.22 3.23 3ih6A1 ARG 312 HD3 0.05 0.04 0.02 -0.04 3.22 3.28 3ih6A1 LEU 313 H 0.04 0.80 0.10 -0.55 8.37 8.77 3ih6A1 LEU 313 HA 0.00 0.06 0.53 -0.75 4.35 4.19 3ih6A1 LEU 313 HB2 0.02 0.06 0.12 -0.04 1.64 1.79 3ih6A1 LEU 313 HB3 -0.03 -0.03 0.02 -0.04 1.64 1.57 3ih6A1 LEU 313 HG -0.09 -0.00 0.04 -0.04 1.64 1.54 3ih6A1 LEU 313 HD13 -0.06 0.01 -0.02 -0.04 0.93 0.81 3ih6A1 LEU 313 HD23 -0.08 -0.00 0.02 -0.04 0.89 0.78 3ih6A1 TYR 314 H 0.19 0.18 -0.34 -0.55 8.29 7.76 3ih6A1 TYR 314 HA 0.01 -0.00 0.26 -0.75 4.56 4.07 3ih6A1 TYR 314 HB2 0.03 0.01 -0.05 -0.04 3.06 3.01 3ih6A1 TYR 314 HB3 0.04 0.26 -0.05 -0.04 2.98 3.19 3ih6A1 TYR 314 HD2 0.01 0.11 -0.23 -0.04 7.15 7.00 3ih6A1 TYR 314 HE2 0.01 -0.02 -0.29 -0.04 6.85 6.50 3ih6A1 HIS 315 H 0.27 0.55 -0.30 -0.55 8.41 8.37 3ih6A1 HIS 315 HA 0.14 -0.00 0.41 -0.75 4.63 4.42 3ih6A1 HIS 315 HB2 0.09 0.24 0.02 -0.04 3.26 3.57 3ih6A1 HIS 315 HB3 0.05 0.02 0.02 -0.04 3.20 3.25 3ih6A1 HIS 315 HD2 0.06 0.03 -0.02 -0.04 6.97 6.99 3ih6A1 HIS 315 HE1 0.02 -0.05 -0.02 -0.04 7.75 7.67 3ih6A1 ALA 316 H 0.10 0.49 -0.18 -0.55 8.40 8.27 3ih6A1 ALA 316 HA 0.07 0.03 0.44 -0.75 4.34 4.13 3ih6A1 ALA 316 HB3 0.02 -0.00 0.05 -0.04 1.41 1.43 3ih6A1 LEU 317 H -0.04 0.41 -0.33 -0.55 8.37 7.86 3ih6A1 LEU 317 HA -0.05 0.14 0.78 -0.75 4.35 4.46 3ih6A1 LEU 317 HB2 -0.10 0.14 -0.05 -0.04 1.64 1.59 3ih6A1 LEU 317 HB3 -0.08 -0.09 -0.14 -0.04 1.64 1.29 3ih6A1 LEU 317 HG -0.04 -0.03 -0.23 -0.04 1.64 1.30 3ih6A1 LEU 317 HD13 -0.06 -0.01 -0.09 -0.04 0.93 0.72 3ih6A1 LEU 317 HD23 -0.03 -0.00 -0.12 -0.04 0.89 0.69 3ih6A1 VAL 318 H -0.21 0.60 0.05 -0.55 8.24 8.13 3ih6A1 VAL 318 HA -0.21 0.34 0.63 -0.75 4.13 4.13 3ih6A1 VAL 318 HB -0.94 0.20 0.15 -0.04 2.12 1.49 3ih6A1 VAL 318 HG13 -0.32 -0.02 -0.12 -0.04 0.97 0.46 3ih6A1 VAL 318 HG23 -0.76 -0.01 -0.22 -0.04 0.95 -0.08 3ih6A1 PRO 319 HA -0.06 0.04 0.46 -0.51 4.44 4.37 3ih6A1 PRO 319 HB2 -0.12 0.08 0.04 -0.04 2.28 2.24 3ih6A1 PRO 319 HB3 -0.10 -0.04 0.09 -0.04 2.02 1.93 3ih6A1 PRO 319 HG2 -0.41 0.08 0.12 -0.04 2.03 1.78 3ih6A1 PRO 319 HG3 -0.08 -0.04 0.07 -0.04 2.03 1.95 3ih6A1 PRO 319 HD2 -0.15 0.26 0.18 -0.04 3.68 3.93 3ih6A1 PRO 319 HD3 -0.23 0.19 0.22 -0.04 3.65 3.78 3ih6A1 THR 320 H -0.07 0.17 -0.52 -0.55 8.28 7.31 3ih6A1 THR 320 HA -0.03 0.06 0.35 -0.75 4.39 4.02 3ih6A1 THR 320 HB -0.02 -0.05 0.06 -0.04 4.32 4.27 3ih6A1 THR 320 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.14 3ih6A1 LYS 321 H -0.07 0.32 -0.68 -0.55 8.42 7.44 3ih6A1 LYS 321 HA -0.05 0.16 0.34 -0.75 4.32 4.02 3ih6A1 LYS 321 HB2 -0.02 0.15 -0.24 -0.04 1.87 1.72 3ih6A1 LYS 321 HB3 -0.02 -0.08 0.23 -0.04 1.79 1.87 3ih6A1 LYS 321 HG2 -0.02 -0.10 0.01 -0.04 1.46 1.31 3ih6A1 LYS 321 HG3 -0.03 0.03 0.05 -0.04 1.46 1.47 3ih6A1 LYS 321 HD2 -0.03 0.25 -0.15 -0.04 1.69 1.72 3ih6A1 LYS 321 HD3 -0.02 -0.04 -0.13 -0.04 1.68 1.45 3ih6A1 LYS 321 HE2 -0.01 -0.09 0.00 -0.04 2.99 2.85 3ih6A1 LYS 321 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.94 3ih6A1 LEU 322 H -0.05 0.30 -0.08 -0.55 8.37 7.99 3ih6A1 LEU 322 HA -0.02 0.13 0.71 -0.75 4.35 4.41 3ih6A1 LEU 322 HB2 -0.04 0.01 0.04 -0.04 1.64 1.61 3ih6A1 LEU 322 HB3 -0.02 -0.09 0.07 -0.04 1.64 1.56 3ih6A1 LEU 322 HG -0.03 -0.00 -0.13 -0.04 1.64 1.44 3ih6A1 LEU 322 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 3ih6A1 LEU 322 HD23 -0.02 -0.01 -0.14 -0.04 0.89 0.68 3ih6A1 ALA 323 H -0.06 0.40 -0.01 -0.55 8.40 8.18 3ih6A1 ALA 323 HA -0.02 0.03 0.57 -0.75 4.34 4.16 3ih6A1 ALA 323 HB3 -0.06 0.02 -0.07 -0.04 1.41 1.27 3ih6A1 SER 324 H 0.01 0.67 0.40 -0.55 8.46 8.99 3ih6A1 SER 324 HA -0.03 0.13 0.84 -0.75 4.49 4.68 3ih6A1 SER 324 HB2 0.05 0.06 -0.10 -0.04 3.95 3.92 3ih6A1 SER 324 HB3 0.04 -0.02 0.08 -0.04 3.93 3.99 3ih6A1 GLY 325 H 0.03 0.39 0.27 -0.55 8.43 8.57 3ih6A1 GLY 325 HA2 0.06 0.14 0.52 -0.51 4.01 4.21 3ih6A1 GLY 325 HA3 0.21 -0.02 0.45 -0.51 4.01 4.14 3ih6A1 VAL 326 H 0.17 0.70 0.37 -0.55 8.24 8.92 3ih6A1 VAL 326 HA -0.19 0.19 1.02 -0.75 4.13 4.40 3ih6A1 VAL 326 HB -0.09 0.12 0.17 -0.04 2.12 2.29 3ih6A1 VAL 326 HG13 -0.08 -0.01 -0.38 -0.04 0.97 0.47 3ih6A1 VAL 326 HG23 0.13 -0.02 -0.09 -0.04 0.95 0.93 3ih6A1 PHE 327 H -0.55 0.51 0.32 -0.55 8.34 8.07 3ih6A1 PHE 327 HA -0.24 0.18 0.66 -0.75 4.62 4.46 3ih6A1 PHE 327 HB2 -0.47 0.08 0.18 -0.04 3.15 2.90 3ih6A1 PHE 327 HB3 -1.24 -0.05 -0.04 -0.04 3.06 1.69 3ih6A1 PHE 327 HD2 -0.43 0.00 -0.38 -0.04 7.28 6.44 3ih6A1 PHE 327 HE2 0.05 0.08 -0.29 -0.04 7.38 7.17 3ih6A1 PHE 327 HZ 0.05 0.04 -0.16 -0.04 7.32 7.22 3ih6A1 GLY 328 H -0.48 0.58 0.25 -0.55 8.43 8.24 3ih6A1 GLY 328 HA2 -0.26 0.16 0.68 -0.51 4.01 4.08 3ih6A1 GLY 328 HA3 -0.06 0.03 0.33 -0.51 4.01 3.80 3ih6A1 PHE 329 H -0.23 0.31 0.24 -0.55 8.34 8.11 3ih6A1 PHE 329 HA -0.05 0.35 1.03 -0.75 4.62 5.20 3ih6A1 PHE 329 HB2 -0.07 -0.01 0.03 -0.04 3.15 3.06 3ih6A1 PHE 329 HB3 -0.04 0.09 0.09 -0.04 3.06 3.16 3ih6A1 PHE 329 HD2 -0.01 0.09 0.01 -0.04 7.28 7.33 3ih6A1 PHE 329 HE2 -0.23 -0.03 -0.11 -0.04 7.38 6.97 3ih6A1 PHE 329 HZ 0.07 -0.03 -0.12 -0.04 7.32 7.20 3ih6A1 THR 330 H 0.07 0.63 0.25 -0.55 8.28 8.68 3ih6A1 THR 330 HA -0.00 0.42 0.94 -0.75 4.39 4.99 3ih6A1 THR 330 HB -0.08 -0.03 0.07 -0.04 4.32 4.23 3ih6A1 THR 330 HG23 -0.08 -0.02 -0.15 -0.04 1.22 0.93 3ih6A1 ASP 332 HA 0.17 -0.04 0.33 -0.75 4.63 4.33 3ih6A1 ASP 332 HB2 0.49 0.02 -0.03 -0.04 2.71 3.15 3ih6A1 ASP 332 HB3 0.16 -0.01 0.04 -0.04 2.70 2.84 3ih6A1 GLN 333 H 0.05 0.25 0.15 -0.55 8.47 8.38 3ih6A1 GLN 333 HA 0.01 0.06 0.35 -0.75 4.36 4.03 3ih6A1 LEU 334 H 0.02 0.06 -0.67 -0.55 8.37 7.24 3ih6A1 LEU 334 HA -0.01 0.12 0.77 -0.75 4.35 4.47 3ih6A1 LEU 334 HB2 0.00 -0.04 -0.11 -0.04 1.64 1.45 3ih6A1 LEU 334 HB3 -0.02 0.10 -0.22 -0.04 1.64 1.47 3ih6A1 LEU 334 HG -0.01 -0.07 -0.17 -0.04 1.64 1.35 3ih6A1 LEU 334 HD13 -0.00 0.01 -0.09 -0.04 0.93 0.81 3ih6A1 LEU 334 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.78 3ih6A1 ASP 335 H -0.01 0.18 -0.01 -0.55 8.40 8.01 3ih6A1 ASP 335 HA -0.03 0.08 0.75 -0.75 4.63 4.67 3ih6A1 ASP 335 HB2 -0.01 0.03 -0.07 -0.04 2.71 2.63 3ih6A1 ASP 335 HB3 -0.01 -0.02 0.16 -0.04 2.70 2.79 3ih6A1 PRO 336 HA -0.07 0.01 0.33 -0.51 4.44 4.20 3ih6A1 PRO 336 HB2 -0.53 0.19 -0.05 -0.04 2.28 1.85 3ih6A1 PRO 336 HB3 -0.16 -0.04 0.07 -0.04 2.02 1.85 3ih6A1 PRO 336 HG2 -0.77 0.08 0.02 -0.04 2.03 1.33 3ih6A1 PRO 336 HG3 -0.14 -0.01 0.08 -0.04 2.03 1.92 3ih6A1 PRO 336 HD2 -0.08 0.06 -0.02 -0.04 3.68 3.60 3ih6A1 PRO 336 HD3 -0.03 0.13 0.57 -0.04 3.65 4.28 3ih6A1 GLY 337 H -0.02 0.06 0.11 -0.55 8.43 8.03 3ih6A1 GLY 337 HA2 0.03 -0.01 0.46 -0.51 4.01 3.97 3ih6A1 GLY 337 HA3 0.08 0.02 0.36 -0.51 4.01 3.95 3ih6A1 LEU 338 H 0.05 0.16 0.26 -0.55 8.37 8.29 3ih6A1 LEU 338 HA 0.11 0.33 1.12 -0.75 4.35 5.15 3ih6A1 LEU 338 HB2 0.05 -0.13 0.01 -0.04 1.64 1.53 3ih6A1 LEU 338 HB3 0.11 0.24 0.01 -0.04 1.64 1.95 3ih6A1 LEU 338 HG -0.00 0.07 -0.20 -0.04 1.64 1.47 3ih6A1 LEU 338 HD13 0.05 -0.03 -0.11 -0.04 0.93 0.80 3ih6A1 LEU 338 HD23 0.11 0.02 -0.19 -0.04 0.89 0.79 3ih6A1 ALA 339 H 0.16 0.74 0.25 -0.55 8.40 9.00 3ih6A1 ALA 339 HA -0.09 0.28 0.81 -0.75 4.34 4.58 3ih6A1 ALA 339 HB3 0.08 -0.02 0.09 -0.04 1.41 1.52 3ih6A1 PHE 341 HA 0.03 0.05 0.42 -0.75 4.62 4.36 3ih6A1 PHE 341 HB2 0.09 -0.00 0.04 -0.04 3.15 3.24 3ih6A1 PHE 341 HB3 -0.05 -0.04 0.11 -0.04 3.06 3.04 3ih6A1 PHE 341 HD2 0.09 0.13 -0.08 -0.04 7.28 7.37 3ih6A1 PHE 341 HE2 -0.04 0.01 -0.03 -0.04 7.38 7.27 3ih6A1 PHE 341 HZ -0.02 -0.03 -0.08 -0.04 7.32 7.15 3ih6A1 GLY 342 H -0.48 0.37 0.37 -0.55 8.43 8.15 3ih6A1 GLY 342 HA2 -0.26 0.07 0.61 -0.51 4.01 3.92 3ih6A1 GLY 342 HA3 -1.10 0.05 0.46 -0.51 4.01 2.92 3ih6A1 ALA 343 H -0.23 0.54 0.38 -0.55 8.40 8.53 3ih6A1 ALA 343 HA -0.23 0.16 0.86 -0.75 4.34 4.37 3ih6A1 ALA 343 HB3 -0.09 0.01 0.01 -0.04 1.41 1.30 3ih6A1 GLN 344 H 0.06 0.55 0.23 -0.55 8.47 8.76 3ih6A1 GLN 344 HA 0.17 0.19 0.81 -0.75 4.36 4.78 3ih6A1 GLN 344 HB2 0.35 -0.02 -0.04 -0.04 2.15 2.39 3ih6A1 GLN 344 HB3 0.18 -0.15 0.10 -0.04 2.02 2.11 3ih6A1 GLN 344 HG2 0.15 0.11 -0.16 -0.04 2.40 2.45 3ih6A1 GLN 344 HG3 0.24 0.03 -0.05 -0.04 2.39 2.58 3ih6A1 GLN 344 HE21 0.12 -0.00 -0.12 -0.04 6.97 6.92 3ih6A1 GLN 344 HE22 0.11 0.02 -0.18 -0.04 7.69 7.60 3ih6A1 LEU 345 H 0.08 0.63 0.28 -0.55 8.37 8.82 3ih6A1 LEU 345 HA 0.02 -0.03 0.98 -0.75 4.35 4.56 3ih6A1 LEU 345 HB2 0.03 0.07 0.00 -0.04 1.64 1.71 3ih6A1 LEU 345 HB3 0.02 0.19 0.01 -0.04 1.64 1.82 3ih6A1 LEU 345 HG 0.00 0.20 0.04 -0.04 1.64 1.85 3ih6A1 LEU 345 HD13 0.01 -0.01 -0.27 -0.04 0.93 0.62 3ih6A1 LEU 345 HD23 0.01 -0.02 -0.15 -0.04 0.89 0.69 3ih6A1 GLN 346 H 0.01 0.10 0.15 -0.55 8.47 8.19 3ih6A1 GLN 346 HA 0.02 0.15 1.18 -0.75 4.36 4.96 3ih6A1 GLN 346 HB2 0.00 0.01 0.08 -0.04 2.15 2.20 3ih6A1 GLN 346 HB3 0.01 -0.07 -0.01 -0.04 2.02 1.91 3ih6A1 GLN 346 HG2 0.01 0.00 0.03 -0.04 2.40 2.40 3ih6A1 GLN 346 HG3 0.01 -0.02 0.02 -0.04 2.39 2.35 3ih6A1 GLN 346 HE21 0.02 -0.01 -0.05 -0.04 6.97 6.89 3ih6A1 GLN 346 HE22 0.01 -0.04 -0.07 -0.04 7.69 7.55 3ih6A1 PRO 347 HA 0.00 0.19 0.30 -0.51 4.44 4.42 3ih6A1 GLY 348 H 0.00 -0.02 -0.42 -0.55 8.43 7.44 3ih6A1 GLY 348 HA2 -0.00 0.07 0.25 -0.51 4.01 3.83 3ih6A1 GLY 348 HA3 -0.00 -0.03 0.15 -0.51 4.01 3.61 3ih6A1 ASP 350 HA -0.00 -0.06 0.31 -0.75 4.63 4.13 3ih6A1 ASP 350 HB2 -0.00 0.08 0.16 -0.04 2.71 2.91 3ih6A1 ASP 350 HB3 -0.01 0.03 0.15 -0.04 2.70 2.83 3ih6A1 GLN 351 H -0.00 0.14 0.08 -0.55 8.47 8.14 3ih6A1 GLN 351 HA 0.00 0.20 0.42 -0.75 4.36 4.22 3ih6A1 GLN 351 HB2 0.00 -0.06 0.11 -0.04 2.15 2.15 3ih6A1 GLN 351 HB3 0.01 0.00 -0.05 -0.04 2.02 1.94 3ih6A1 GLN 351 HG2 0.01 0.04 -0.09 -0.04 2.40 2.31 3ih6A1 GLN 351 HG3 -0.00 0.07 -0.07 -0.04 2.39 2.35 3ih6A1 GLN 351 HE21 -0.02 -0.02 -0.10 -0.04 6.97 6.79 3ih6A1 GLN 351 HE22 0.01 -0.03 -0.10 -0.04 7.69 7.53 3ih6A1 ASP 352 H 0.00 0.10 0.01 -0.55 8.40 7.96 3ih6A1 ASP 352 HA 0.00 0.10 0.40 -0.75 4.63 4.38 3ih6A1 ASP 352 HB2 -0.00 -0.01 0.01 -0.04 2.71 2.67 3ih6A1 ASP 352 HB3 0.00 0.04 -0.01 -0.04 2.70 2.69 3ih6A1 LYS 353 H -0.00 0.09 -0.34 -0.55 8.42 7.62 3ih6A1 LYS 353 HA -0.00 0.02 0.47 -0.75 4.32 4.05 3ih6A1 LYS 353 HB2 -0.01 -0.06 0.05 -0.04 1.87 1.82 3ih6A1 LYS 353 HB3 -0.01 0.20 0.07 -0.04 1.79 2.01 3ih6A1 LYS 353 HG2 -0.01 0.08 -0.23 -0.04 1.46 1.26 3ih6A1 LYS 353 HG3 -0.01 -0.08 0.01 -0.04 1.46 1.34 3ih6A1 LYS 353 HD2 -0.01 -0.06 -0.01 -0.04 1.69 1.58 3ih6A1 LYS 353 HD3 -0.01 0.09 -0.02 -0.04 1.68 1.70 3ih6A1 LYS 353 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 3ih6A1 LYS 353 HE3 -0.01 0.05 -0.04 -0.04 2.99 2.95 3ih6A1 ALA 354 H -0.01 0.53 -0.07 -0.55 8.40 8.31 3ih6A1 ALA 354 HA -0.02 0.02 0.41 -0.75 4.34 4.00 3ih6A1 ALA 354 HB3 -0.01 0.08 0.12 -0.04 1.41 1.56 3ih6A1 LEU 355 H -0.00 0.49 -0.29 -0.55 8.37 8.02 3ih6A1 LEU 355 HA 0.00 0.03 0.23 -0.75 4.35 3.87 3ih6A1 LEU 355 HB2 0.01 0.05 0.07 -0.04 1.64 1.73 3ih6A1 LEU 355 HB3 0.01 0.03 0.11 -0.04 1.64 1.75 3ih6A1 LEU 355 HG 0.01 -0.03 -0.09 -0.04 1.64 1.50 3ih6A1 LEU 355 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.84 3ih6A1 LEU 355 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 3ih6A1 GLN 356 H -0.00 0.56 -0.07 -0.55 8.47 8.41 3ih6A1 GLN 356 HA 0.00 0.01 0.42 -0.75 4.36 4.04 3ih6A1 THR 357 H -0.01 0.61 -0.21 -0.55 8.28 8.13 3ih6A1 THR 357 HA -0.01 -0.02 0.39 -0.75 4.39 3.99 3ih6A1 THR 357 HB -0.02 0.11 0.06 -0.04 4.32 4.43 3ih6A1 THR 357 HG23 -0.01 -0.00 -0.11 -0.04 1.22 1.05 3ih6A1 LEU 358 H -0.01 0.68 -0.09 -0.55 8.37 8.40 3ih6A1 LEU 358 HA -0.04 0.00 0.41 -0.75 4.35 3.97 3ih6A1 LEU 358 HB2 -0.03 0.02 -0.01 -0.04 1.64 1.58 3ih6A1 LEU 358 HB3 -0.00 0.07 0.07 -0.04 1.64 1.74 3ih6A1 LEU 358 HG -0.00 -0.04 -0.23 -0.04 1.64 1.32 3ih6A1 LEU 358 HD13 -0.07 -0.03 -0.17 -0.04 0.93 0.62 3ih6A1 LEU 358 HD23 0.05 0.01 -0.27 -0.04 0.89 0.65 3ih6A1 THR 359 H 0.01 0.58 -0.17 -0.55 8.28 8.15 3ih6A1 THR 359 HA 0.07 0.06 0.28 -0.75 4.39 4.05 3ih6A1 THR 359 HB 0.08 -0.06 -0.06 -0.04 4.32 4.23 3ih6A1 THR 359 HG23 0.06 0.03 -0.04 -0.04 1.22 1.23 3ih6A1 ALA 360 H -0.00 0.58 -0.16 -0.55 8.40 8.28 3ih6A1 ALA 360 HA -0.01 -0.00 0.38 -0.75 4.34 3.95 3ih6A1 ALA 360 HB3 -0.01 -0.00 0.05 -0.04 1.41 1.40 3ih6A1 THR 361 H -0.03 0.54 -0.21 -0.55 8.28 8.03 3ih6A1 THR 361 HA -0.05 -0.03 0.36 -0.75 4.39 3.92 3ih6A1 THR 361 HB -0.06 0.15 0.12 -0.04 4.32 4.48 3ih6A1 THR 361 HG23 -0.05 -0.02 -0.24 -0.04 1.22 0.87 3ih6A1 LEU 362 H -0.10 0.58 -0.14 -0.55 8.37 8.16 3ih6A1 LEU 362 HA -0.23 -0.04 0.31 -0.75 4.35 3.64 3ih6A1 LEU 362 HB2 -0.10 0.09 0.07 -0.04 1.64 1.65 3ih6A1 LEU 362 HB3 -0.40 -0.04 -0.02 -0.04 1.64 1.15 3ih6A1 LEU 362 HG -0.24 0.08 0.05 -0.04 1.64 1.48 3ih6A1 LEU 362 HD13 -0.08 -0.01 -0.13 -0.04 0.93 0.68 3ih6A1 LEU 362 HD23 -0.95 -0.03 -0.03 -0.04 0.89 -0.16 3ih6A1 GLU 363 H -0.06 0.44 -0.40 -0.55 8.60 8.05 3ih6A1 GLU 363 HA -0.08 0.37 0.73 -0.75 4.29 4.56 3ih6A1 GLU 363 HB2 0.00 0.03 0.03 -0.04 2.09 2.11 3ih6A1 GLU 363 HB3 0.00 -0.17 0.18 -0.04 1.99 1.96 3ih6A1 GLU 363 HG2 0.08 0.05 -0.57 -0.04 2.34 1.85 3ih6A1 GLU 363 HG3 0.05 -0.00 -0.30 -0.04 2.34 2.05 3ih6A1 SER 364 H -0.09 0.46 -0.33 -0.55 8.46 7.96 3ih6A1 SER 364 HA -0.06 0.09 0.86 -0.75 4.49 4.62 3ih6A1 SER 364 HB2 -0.06 0.18 0.08 -0.04 3.95 4.11 3ih6A1 SER 364 HB3 -0.05 -0.18 0.15 -0.04 3.93 3.81 3ih6A1 LEU 365 H -0.13 0.32 -0.16 -0.55 8.37 7.85 3ih6A1 LEU 365 HA -0.18 0.11 0.21 -0.75 4.35 3.73 3ih6A1 LEU 365 HB2 -0.25 0.03 -0.01 -0.04 1.64 1.38 3ih6A1 LEU 365 HB3 -0.48 -0.11 -0.03 -0.04 1.64 0.98 3ih6A1 LEU 365 HG -0.18 0.20 0.01 -0.04 1.64 1.64 3ih6A1 LEU 365 HD13 -0.26 -0.00 -0.02 -0.04 0.93 0.61 3ih6A1 LEU 365 HD23 -0.23 -0.03 -0.05 -0.04 0.89 0.54 3ih6A1 SER 366 H -0.11 0.16 -0.30 -0.55 8.46 7.66 3ih6A1 SER 366 HA -0.11 0.01 0.46 -0.75 4.49 4.09 3ih6A1 SER 366 HB2 -0.06 0.02 -0.01 -0.04 3.95 3.86 3ih6A1 SER 366 HB3 -0.06 -0.02 -0.03 -0.04 3.93 3.78 3ih6A1 SER 367 H -0.08 0.48 -0.32 -0.55 8.46 7.99 3ih6A1 SER 367 HA -0.05 0.00 0.37 -0.75 4.49 4.06 3ih6A1 SER 367 HB2 -0.05 -0.09 0.09 -0.04 3.95 3.86 3ih6A1 SER 367 HB3 -0.06 0.20 0.08 -0.04 3.93 4.11 3ih6A1 LYS 368 H -0.11 0.20 -0.35 -0.55 8.42 7.61 3ih6A1 LYS 368 HA -0.06 0.11 0.70 -0.75 4.32 4.32 3ih6A1 PRO 369 HA -0.25 0.04 0.34 -0.51 4.44 4.06 3ih6A1 PRO 369 HB2 -0.04 -0.04 -0.05 -0.04 2.28 2.11 3ih6A1 PRO 369 HB3 -0.07 -0.06 0.07 -0.04 2.02 1.92 3ih6A1 PRO 369 HG2 -0.05 -0.06 0.02 -0.04 2.03 1.91 3ih6A1 PRO 369 HG3 -0.08 0.12 0.06 -0.04 2.03 2.09 3ih6A1 PRO 369 HD2 -0.05 0.03 -0.01 -0.04 3.68 3.60 3ih6A1 PRO 369 HD3 -0.07 0.22 -0.48 -0.04 3.65 3.28 3ih6A1 PHE 370 H -0.32 0.06 0.16 -0.55 8.34 7.69 3ih6A1 PHE 370 HA -0.03 0.07 0.59 -0.75 4.62 4.49 3ih6A1 PHE 370 HB2 -0.03 -0.09 0.10 -0.04 3.15 3.09 3ih6A1 PHE 370 HB3 -0.03 0.01 0.01 -0.04 3.06 3.01 3ih6A1 PHE 370 HD2 -0.03 -0.04 -0.06 -0.04 7.28 7.11 3ih6A1 PHE 370 HE2 -0.05 0.05 -0.06 -0.04 7.38 7.29 3ih6A1 PHE 370 HZ -0.06 0.07 -0.01 -0.04 7.32 7.28 3ih6A1 SER 371 H 0.11 0.10 0.20 -0.55 8.46 8.33 3ih6A1 SER 371 HA 0.04 0.22 0.72 -0.75 4.49 4.71 3ih6A1 SER 371 HB2 0.01 -0.02 0.17 -0.04 3.95 4.07 3ih6A1 SER 371 HB3 0.03 0.22 0.13 -0.04 3.93 4.26 3ih6A1 GLN 372 H 0.01 0.20 0.18 -0.55 8.47 8.31 3ih6A1 GLN 372 HA 0.00 0.12 0.42 -0.75 4.36 4.14 3ih6A1 GLN 372 HB2 0.00 0.04 0.14 -0.04 2.15 2.29 3ih6A1 GLN 372 HB3 -0.00 -0.01 0.13 -0.04 2.02 2.09 3ih6A1 GLN 372 HG2 -0.01 0.04 0.01 -0.04 2.40 2.40 3ih6A1 GLN 372 HG3 -0.01 0.01 -0.13 -0.04 2.39 2.22 3ih6A1 GLN 372 HE21 -0.02 0.06 0.04 -0.04 6.97 7.00 3ih6A1 GLN 372 HE22 -0.02 0.01 0.02 -0.04 7.69 7.66 3ih6A1 GLU 373 H -0.00 0.07 -0.00 -0.55 8.60 8.13 3ih6A1 GLU 373 HA -0.01 0.11 0.52 -0.75 4.29 4.16 3ih6A1 GLU 373 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.16 3ih6A1 GLU 373 HB3 -0.01 0.03 0.02 -0.04 1.99 1.99 3ih6A1 GLU 373 HG2 -0.00 0.06 0.00 -0.04 2.34 2.35 3ih6A1 GLU 373 HG3 -0.01 0.03 -0.03 -0.04 2.34 2.29 3ih6A1 GLU 374 H -0.01 0.06 -0.19 -0.55 8.60 7.92 3ih6A1 GLU 374 HA -0.04 0.10 0.50 -0.75 4.29 4.09 3ih6A1 GLU 374 HB2 -0.02 0.02 0.13 -0.04 2.09 2.18 3ih6A1 GLU 374 HB3 -0.14 0.07 -0.04 -0.04 1.99 1.85 3ih6A1 GLU 374 HG2 -0.03 0.12 0.06 -0.04 2.34 2.45 3ih6A1 GLU 374 HG3 -0.01 -0.10 0.07 -0.04 2.34 2.26 3ih6A1 LEU 375 H -0.05 0.36 -0.33 -0.55 8.37 7.80 3ih6A1 LEU 375 HA -0.12 0.07 0.41 -0.75 4.35 3.95 3ih6A1 LEU 375 HB2 -0.05 0.01 0.05 -0.04 1.64 1.61 3ih6A1 LEU 375 HB3 -0.03 0.16 0.13 -0.04 1.64 1.85 3ih6A1 LEU 375 HG -0.05 0.05 -0.20 -0.04 1.64 1.39 3ih6A1 LEU 375 HD13 -0.09 -0.01 -0.03 -0.04 0.93 0.75 3ih6A1 LEU 375 HD23 -0.03 0.01 -0.21 -0.04 0.89 0.62 3ih6A1 GLU 376 H -0.03 0.35 -0.19 -0.55 8.60 8.19 3ih6A1 GLU 376 HA -0.03 0.06 0.34 -0.75 4.29 3.91 3ih6A1 GLU 376 HB2 -0.01 0.07 0.20 -0.04 2.09 2.31 3ih6A1 GLU 376 HB3 -0.01 -0.04 0.06 -0.04 1.99 1.96 3ih6A1 GLU 376 HG2 -0.02 0.21 0.05 -0.04 2.34 2.54 3ih6A1 GLU 376 HG3 -0.01 -0.06 0.01 -0.04 2.34 2.24 3ih6A1 ARG 377 H -0.02 0.44 -0.16 -0.55 8.46 8.16 3ih6A1 ARG 377 HA 0.00 -0.01 0.38 -0.75 4.34 3.97 3ih6A1 ARG 377 HB2 -0.02 0.09 0.14 -0.04 1.90 2.07 3ih6A1 ARG 377 HB3 -0.02 0.11 0.06 -0.04 1.80 1.90 3ih6A1 ARG 377 HG2 -0.00 0.02 -0.01 -0.04 1.67 1.63 3ih6A1 ARG 377 HG3 -0.00 -0.05 0.04 -0.04 1.67 1.62 3ih6A1 ARG 377 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.14 3ih6A1 ARG 377 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.11 3ih6A1 ALA 378 H -0.04 0.45 -0.23 -0.55 8.40 8.03 3ih6A1 ALA 378 HA 0.02 0.02 0.41 -0.75 4.34 4.03 3ih6A1 ALA 378 HB3 -0.07 0.03 0.11 -0.04 1.41 1.43 3ih6A1 ARG 379 H -0.02 0.74 -0.01 -0.55 8.46 8.62 3ih6A1 ARG 379 HA 0.01 0.00 0.48 -0.75 4.34 4.09 3ih6A1 ARG 379 HB2 -0.06 0.09 0.12 -0.04 1.90 2.00 3ih6A1 ARG 379 HB3 -0.02 0.00 0.13 -0.04 1.80 1.87 3ih6A1 ARG 379 HG2 -0.03 -0.14 -0.15 -0.04 1.67 1.31 3ih6A1 ARG 379 HG3 -0.13 0.12 -0.05 -0.04 1.67 1.58 3ih6A1 ARG 379 HD2 -0.04 -0.09 -0.06 -0.04 3.22 2.99 3ih6A1 ARG 379 HD3 -0.09 0.10 0.01 -0.04 3.22 3.20 3ih6A1 SER 380 H 0.03 0.69 -0.06 -0.55 8.46 8.57 3ih6A1 SER 380 HA 0.06 -0.02 0.47 -0.75 4.49 4.25 3ih6A1 SER 380 HB2 0.02 -0.03 0.11 -0.04 3.95 4.01 3ih6A1 SER 380 HB3 0.03 0.15 0.18 -0.04 3.93 4.24 3ih6A1 LYS 381 H 0.07 0.56 -0.15 -0.55 8.42 8.34 3ih6A1 LYS 381 HA 0.06 -0.04 0.38 -0.75 4.32 3.98 3ih6A1 LYS 381 HB2 0.05 0.09 0.16 -0.04 1.87 2.12 3ih6A1 LYS 381 HB3 0.09 0.13 0.15 -0.04 1.79 2.12 3ih6A1 LYS 381 HG2 0.04 -0.04 -0.04 -0.04 1.46 1.38 3ih6A1 LYS 381 HG3 0.03 -0.06 0.06 -0.04 1.46 1.45 3ih6A1 LYS 381 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 3ih6A1 LYS 381 HD3 0.05 0.03 0.01 -0.04 1.68 1.73 3ih6A1 LYS 381 HE2 0.02 0.10 0.06 -0.04 2.99 3.13 3ih6A1 LYS 381 HE3 0.02 -0.04 0.03 -0.04 2.99 2.96 3ih6A1 TRP 382 H 0.27 0.50 -0.19 -0.55 7.97 8.01 3ih6A1 TRP 382 HA 0.05 0.02 0.36 -0.75 4.62 4.29 3ih6A1 TRP 382 HB2 -0.00 0.19 0.18 -0.04 3.23 3.55 3ih6A1 TRP 382 HB3 -0.00 0.02 0.19 -0.04 3.23 3.40 3ih6A1 TRP 382 HD1 0.01 0.05 -0.06 -0.04 7.22 7.18 3ih6A1 TRP 382 HE1 0.06 0.05 -0.03 -0.04 10.20 10.24 3ih6A1 TRP 382 HE3 0.00 0.03 -0.43 -0.04 7.59 7.15 3ih6A1 TRP 382 HZ2 0.13 0.02 -0.08 -0.04 7.44 7.47 3ih6A1 TRP 382 HZ3 -0.33 -0.06 -0.03 -0.04 7.13 6.67 3ih6A1 TRP 382 HH2 0.06 -0.04 -0.20 -0.04 7.19 6.97 3ih6A1 LEU 383 H 0.36 0.72 0.06 -0.55 8.37 8.96 3ih6A1 LEU 383 HA 0.46 -0.03 0.49 -0.75 4.35 4.51 3ih6A1 LEU 383 HB2 0.13 0.08 0.11 -0.04 1.64 1.92 3ih6A1 LEU 383 HB3 0.13 -0.08 0.03 -0.04 1.64 1.68 3ih6A1 LEU 383 HG 0.16 0.11 0.08 -0.04 1.64 1.94 3ih6A1 LEU 383 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 3ih6A1 LEU 383 HD23 -0.02 -0.03 0.03 -0.04 0.89 0.83 3ih6A1 THR 384 H 0.14 0.75 -0.11 -0.55 8.28 8.51 3ih6A1 THR 384 HA 0.11 -0.04 0.56 -0.75 4.39 4.26 3ih6A1 THR 384 HB 0.06 0.20 0.17 -0.04 4.32 4.71 3ih6A1 THR 384 HG23 0.05 -0.03 -0.06 -0.04 1.22 1.13 3ih6A1 ALA 385 H 0.04 0.56 -0.12 -0.55 8.40 8.33 3ih6A1 ALA 385 HA -0.01 -0.02 0.43 -0.75 4.34 3.98 3ih6A1 ALA 385 HB3 -0.14 0.04 0.14 -0.04 1.41 1.41 3ih6A1 TRP 386 H 0.15 0.45 -0.08 -0.55 7.97 7.94 3ih6A1 TRP 386 HA -0.11 0.03 0.64 -0.75 4.62 4.42 3ih6A1 TRP 386 HB2 -0.21 0.07 0.12 -0.04 3.23 3.16 3ih6A1 TRP 386 HB3 0.06 0.09 0.18 -0.04 3.23 3.52 3ih6A1 TRP 386 HD1 -0.21 0.02 0.05 -0.04 7.22 7.03 3ih6A1 TRP 386 HE1 -1.02 0.62 0.23 -0.04 10.20 10.00 3ih6A1 TRP 386 HE3 -0.01 0.09 -0.33 -0.04 7.59 7.30 3ih6A1 TRP 386 HZ2 -0.69 -0.03 -0.03 -0.04 7.44 6.64 3ih6A1 TRP 386 HZ3 -0.51 0.00 -0.05 -0.04 7.13 6.53 3ih6A1 TRP 386 HH2 -0.43 -0.02 -0.02 -0.04 7.19 6.68 3ih6A1 GLN 387 H 0.31 0.61 -0.08 -0.55 8.47 8.76 3ih6A1 GLN 387 HA 0.39 -0.02 0.30 -0.75 4.36 4.29 3ih6A1 GLN 387 HB2 0.18 0.14 0.15 -0.04 2.15 2.59 3ih6A1 GLN 387 HB3 0.21 -0.06 0.02 -0.04 2.02 2.15 3ih6A1 GLN 387 HG2 0.32 0.15 0.07 -0.04 2.40 2.89 3ih6A1 GLN 387 HG3 0.18 -0.04 0.01 -0.04 2.39 2.51 3ih6A1 GLN 387 HE21 0.22 -0.03 -0.03 -0.04 6.97 7.09 3ih6A1 GLN 387 HE22 0.21 0.03 -0.02 -0.04 7.69 7.87 3ih6A1 GLN 388 H 0.07 0.38 -0.26 -0.55 8.47 8.11 3ih6A1 GLN 388 HA 0.03 0.04 0.50 -0.75 4.36 4.17 3ih6A1 GLN 388 HB2 0.00 0.12 0.15 -0.04 2.15 2.38 3ih6A1 GLN 388 HB3 -0.01 -0.05 -0.00 -0.04 2.02 1.92 3ih6A1 GLN 388 HG2 0.02 -0.06 0.03 -0.04 2.40 2.35 3ih6A1 GLN 388 HG3 0.05 0.10 0.05 -0.04 2.39 2.54 3ih6A1 GLN 388 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.88 3ih6A1 GLN 388 HE22 0.03 -0.02 -0.02 -0.04 7.69 7.64 3ih6A1 THR 389 H -0.07 0.44 -0.13 -0.55 8.28 7.97 3ih6A1 THR 389 HA -0.10 -0.02 0.56 -0.75 4.39 4.07 3ih6A1 THR 389 HB -0.25 0.13 0.24 -0.04 4.32 4.40 3ih6A1 THR 389 HG23 -0.17 -0.04 -0.18 -0.04 1.22 0.79 3ih6A1 TYR 390 H -0.27 0.69 0.06 -0.55 8.29 8.22 3ih6A1 TYR 390 HA -0.19 -0.06 0.27 -0.75 4.56 3.82 3ih6A1 TYR 390 HB2 -1.29 0.00 0.10 -0.04 3.06 1.83 3ih6A1 TYR 390 HB3 -0.26 0.07 0.09 -0.04 2.98 2.84 3ih6A1 TYR 390 HD2 0.14 0.02 -0.05 -0.04 7.15 7.22 3ih6A1 TYR 390 HE2 0.30 -0.03 -0.03 -0.04 6.85 7.04 3ih6A1 ALA 391 H -0.02 0.30 -0.75 -0.55 8.40 7.39 3ih6A1 ALA 391 HA -0.13 -0.02 0.39 -0.75 4.34 3.83 3ih6A1 ALA 391 HB3 0.01 0.04 0.12 -0.04 1.41 1.53 3ih6A1 ASP 392 H -0.12 0.83 -0.21 -0.55 8.40 8.36 3ih6A1 ASP 392 HA -0.08 0.16 0.92 -0.75 4.63 4.88 3ih6A1 ASP 392 HB2 -0.06 0.09 0.03 -0.04 2.71 2.73 3ih6A1 ASP 392 HB3 -0.08 0.06 0.31 -0.04 2.70 2.95 3ih6A1 PRO 393 HA -0.12 0.08 0.31 -0.51 4.44 4.19 3ih6A1 PRO 393 HB2 -0.07 -0.01 0.06 -0.04 2.28 2.22 3ih6A1 PRO 393 HB3 -0.07 0.03 0.08 -0.04 2.02 2.02 3ih6A1 PRO 393 HG2 -0.06 0.03 0.10 -0.04 2.03 2.05 3ih6A1 PRO 393 HG3 -0.10 0.09 0.07 -0.04 2.03 2.05 3ih6A1 PRO 393 HD2 -0.07 0.04 0.25 -0.04 3.68 3.86 3ih6A1 PRO 393 HD3 -0.10 0.43 0.22 -0.04 3.65 4.16 3ih6A1 GLU 394 H -0.08 0.13 -0.20 -0.55 8.60 7.91 3ih6A1 GLU 394 HA -0.08 0.07 0.53 -0.75 4.29 4.06 3ih6A1 GLU 394 HB2 -0.06 0.00 0.10 -0.04 2.09 2.09 3ih6A1 GLU 394 HB3 -0.07 0.03 0.03 -0.04 1.99 1.95 3ih6A1 GLU 394 HG2 -0.06 -0.01 -0.04 -0.04 2.34 2.19 3ih6A1 GLU 394 HG3 -0.05 -0.01 0.06 -0.04 2.34 2.30 3ih6A1 LYS 395 H -0.10 0.28 -0.10 -0.55 8.42 7.94 3ih6A1 LYS 395 HA -0.11 0.02 0.41 -0.75 4.32 3.88 3ih6A1 LYS 395 HB2 -0.12 0.32 0.30 -0.04 1.87 2.33 3ih6A1 LYS 395 HB3 -0.13 -0.05 0.09 -0.04 1.79 1.66 3ih6A1 LYS 395 HG2 -0.08 -0.02 0.05 -0.04 1.46 1.37 3ih6A1 LYS 395 HG3 -0.07 -0.08 0.07 -0.04 1.46 1.34 3ih6A1 LYS 395 HD2 -0.06 0.05 0.04 -0.04 1.69 1.67 3ih6A1 LYS 395 HD3 -0.08 -0.01 0.03 -0.04 1.68 1.59 3ih6A1 LYS 395 HE2 -0.05 0.02 -0.04 -0.04 2.99 2.88 3ih6A1 LYS 395 HE3 -0.06 -0.02 0.01 -0.04 2.99 2.87 3ih6A1 VAL 396 H -0.19 0.53 -0.13 -0.55 8.24 7.90 3ih6A1 VAL 396 HA -0.60 0.00 0.31 -0.75 4.13 3.08 3ih6A1 VAL 396 HB -0.20 0.08 0.03 -0.04 2.12 2.00 3ih6A1 VAL 396 HG13 -0.26 -0.02 -0.17 -0.04 0.97 0.49 3ih6A1 VAL 396 HG23 -0.21 0.07 -0.15 -0.04 0.95 0.62 3ih6A1 GLY 397 H -0.16 0.44 -0.26 -0.55 8.43 7.90 3ih6A1 GLY 397 HA2 -0.13 -0.01 0.42 -0.51 4.01 3.78 3ih6A1 GLY 397 HA3 -0.11 0.09 0.31 -0.51 4.01 3.79 3ih6A1 VAL 398 H -0.13 0.44 -0.10 -0.55 8.24 7.91 3ih6A1 VAL 398 HA -0.08 0.00 0.50 -0.75 4.13 3.80 3ih6A1 VAL 398 HB -0.11 0.22 0.21 -0.04 2.12 2.39 3ih6A1 VAL 398 HG13 -0.06 -0.01 -0.08 -0.04 0.97 0.77 3ih6A1 VAL 398 HG23 -0.07 0.03 0.08 -0.04 0.95 0.95 3ih6A1 ALA 399 H -0.25 0.51 -0.12 -0.55 8.40 7.99 3ih6A1 ALA 399 HA -0.10 0.03 0.40 -0.75 4.34 3.92 3ih6A1 ALA 399 HB3 -0.39 0.02 0.10 -0.04 1.41 1.10 3ih6A1 LEU 400 H -0.32 0.66 -0.05 -0.55 8.37 8.12 3ih6A1 LEU 400 HA -0.00 -0.00 0.65 -0.75 4.35 4.25 3ih6A1 LEU 400 HB2 -0.10 0.13 0.17 -0.04 1.64 1.79 3ih6A1 LEU 400 HB3 0.04 -0.09 0.06 -0.04 1.64 1.61 3ih6A1 LEU 400 HG -0.42 0.09 0.06 -0.04 1.64 1.33 3ih6A1 LEU 400 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.86 3ih6A1 LEU 400 HD23 0.31 -0.04 0.05 -0.04 0.89 1.17 3ih6A1 SER 401 H -0.07 0.54 -0.15 -0.55 8.46 8.24 3ih6A1 SER 401 HA 0.00 -0.02 0.55 -0.75 4.49 4.27 3ih6A1 SER 401 HB2 -0.04 0.16 0.20 -0.04 3.95 4.24 3ih6A1 SER 401 HB3 -0.02 -0.05 0.04 -0.04 3.93 3.86 3ih6A1 GLU 402 H -0.02 0.57 -0.03 -0.55 8.60 8.57 3ih6A1 GLU 402 HA 0.01 0.04 0.49 -0.75 4.29 4.07 3ih6A1 GLU 402 HB2 0.02 0.09 0.11 -0.04 2.09 2.27 3ih6A1 GLU 402 HB3 0.02 0.00 0.02 -0.04 1.99 1.99 3ih6A1 GLU 402 HG2 -0.01 -0.03 0.04 -0.04 2.34 2.30 3ih6A1 GLU 402 HG3 -0.02 0.24 0.13 -0.04 2.34 2.64 3ih6A1 ALA 403 H 0.04 0.50 -0.20 -0.55 8.40 8.20 3ih6A1 ALA 403 HA 0.06 0.04 0.37 -0.75 4.34 4.05 3ih6A1 ALA 403 HB3 0.15 0.04 0.16 -0.04 1.41 1.72 3ih6A1 ILE 404 H 0.09 0.67 -0.16 -0.55 8.25 8.30 3ih6A1 ILE 404 HA 0.14 -0.14 0.39 -0.75 4.18 3.81 3ih6A1 ILE 404 HB 0.05 0.17 0.17 -0.04 1.89 2.24 3ih6A1 ILE 404 HG12 0.16 0.14 0.13 -0.04 1.49 1.88 3ih6A1 ILE 404 HG13 0.06 -0.02 -0.02 -0.04 1.21 1.19 3ih6A1 ILE 404 HG23 0.06 -0.02 -0.11 -0.04 0.93 0.83 3ih6A1 ILE 404 HD13 0.14 -0.05 0.02 -0.04 0.88 0.95 3ih6A1 ALA 405 H 0.03 0.74 -0.02 -0.55 8.40 8.60 3ih6A1 ALA 405 HA 0.02 -0.01 0.48 -0.75 4.34 4.08 3ih6A1 ALA 405 HB3 0.01 0.00 0.11 -0.04 1.41 1.49 3ih6A1 SER 406 H 0.02 0.95 -0.06 -0.55 8.46 8.82 3ih6A1 SER 406 HA -0.01 0.06 0.52 -0.75 4.49 4.30 3ih6A1 SER 406 HB2 -0.01 0.04 0.08 -0.04 3.95 4.03 3ih6A1 SER 406 HB3 -0.06 -0.14 0.08 -0.04 3.93 3.77 3ih6A1 GLY 407 H 0.03 0.22 -0.90 -0.55 8.43 7.23 3ih6A1 GLY 407 HA2 0.03 0.06 0.26 -0.51 4.01 3.85 3ih6A1 GLY 407 HA3 0.01 0.08 0.63 -0.51 4.01 4.22 3ih6A1 ASP 408 H 0.05 0.71 0.04 -0.55 8.40 8.65 3ih6A1 ASP 408 HA 0.05 -0.01 0.56 -0.75 4.63 4.48 3ih6A1 ASP 408 HB2 -0.03 0.25 -0.19 -0.04 2.71 2.70 3ih6A1 ASP 408 HB3 -0.05 -0.00 -0.07 -0.04 2.70 2.53 3ih6A1 TRP 409 H 0.33 0.20 0.07 -0.55 7.97 8.03 3ih6A1 TRP 409 HA 0.07 0.09 0.17 -0.75 4.62 4.20 3ih6A1 TRP 409 HB2 0.11 0.03 0.06 -0.04 3.23 3.39 3ih6A1 TRP 409 HB3 0.06 0.06 0.11 -0.04 3.23 3.41 3ih6A1 TRP 409 HD1 0.05 0.05 0.07 -0.04 7.22 7.35 3ih6A1 TRP 409 HE1 0.05 0.04 0.01 -0.04 10.20 10.26 3ih6A1 TRP 409 HE3 0.31 -0.01 -0.27 -0.04 7.59 7.58 3ih6A1 TRP 409 HZ2 0.05 0.02 -0.01 -0.04 7.44 7.46 3ih6A1 TRP 409 HZ3 0.20 0.01 -0.05 -0.04 7.13 7.25 3ih6A1 TRP 409 HH2 0.04 0.02 -0.02 -0.04 7.19 7.18 3ih6A1 ARG 410 H -0.91 0.11 -0.27 -0.55 8.46 6.84 3ih6A1 ARG 410 HA -0.46 0.07 0.37 -0.75 4.34 3.57 3ih6A1 ARG 410 HB2 -0.52 0.06 -0.01 -0.04 1.90 1.39 3ih6A1 ARG 410 HB3 -0.36 -0.01 0.04 -0.04 1.80 1.43 3ih6A1 ARG 410 HG2 -0.94 0.02 0.04 -0.04 1.67 0.75 3ih6A1 ARG 410 HG3 -2.73 -0.04 0.02 -0.04 1.67 -1.11 3ih6A1 ARG 410 HD2 -0.34 0.03 -0.00 -0.04 3.22 2.86 3ih6A1 ARG 410 HD3 -0.35 0.02 0.01 -0.04 3.22 2.85 3ih6A1 LEU 411 H -0.02 0.55 -0.48 -0.55 8.37 7.87 3ih6A1 LEU 411 HA 0.01 -0.03 0.33 -0.75 4.35 3.90 3ih6A1 LEU 411 HB2 0.04 0.15 0.09 -0.04 1.64 1.88 3ih6A1 LEU 411 HB3 0.03 0.02 -0.03 -0.04 1.64 1.62 3ih6A1 LEU 411 HG -0.06 -0.08 -0.04 -0.04 1.64 1.42 3ih6A1 LEU 411 HD13 -0.06 0.04 -0.09 -0.04 0.93 0.77 3ih6A1 LEU 411 HD23 -0.06 -0.01 -0.11 -0.04 0.89 0.67 3ih6A1 PHE 412 H 0.25 0.37 -0.15 -0.55 8.34 8.26 3ih6A1 PHE 412 HA 0.12 0.09 0.37 -0.75 4.62 4.44 3ih6A1 PHE 412 HB2 -0.05 0.06 -0.02 -0.04 3.15 3.10 3ih6A1 PHE 412 HB3 -0.24 0.03 0.05 -0.04 3.06 2.86 3ih6A1 PHE 412 HD2 -0.84 0.01 -0.05 -0.04 7.28 6.36 3ih6A1 PHE 412 HE2 -0.42 0.01 -0.01 -0.04 7.38 6.92 3ih6A1 PHE 412 HZ -0.91 -0.02 -0.01 -0.04 7.32 6.34 3ih6A1 PHE 413 H 0.24 0.25 -0.44 -0.55 8.34 7.83 3ih6A1 PHE 413 HA 0.02 0.15 0.69 -0.75 4.62 4.73 3ih6A1 PHE 413 HB2 0.06 0.06 0.16 -0.04 3.15 3.38 3ih6A1 PHE 413 HB3 0.03 -0.02 0.02 -0.04 3.06 3.05 3ih6A1 PHE 413 HD2 0.34 0.01 -0.01 -0.04 7.28 7.57 3ih6A1 PHE 413 HE2 0.60 0.01 -0.04 -0.04 7.38 7.91 3ih6A1 PHE 413 HZ 0.47 0.01 -0.04 -0.04 7.32 7.72 3ih6A1 LEU 414 H 0.11 0.65 0.21 -0.55 8.37 8.80 3ih6A1 LEU 414 HA -0.04 -0.01 0.31 -0.75 4.35 3.86 3ih6A1 LEU 414 HB2 -0.05 -0.01 0.06 -0.04 1.64 1.60 3ih6A1 LEU 414 HB3 -0.02 0.01 0.03 -0.04 1.64 1.62 3ih6A1 LEU 414 HG -0.05 0.04 -0.25 -0.04 1.64 1.34 3ih6A1 LEU 414 HD13 -0.06 -0.01 -0.00 -0.04 0.93 0.81 3ih6A1 LEU 414 HD23 -0.06 0.01 -0.08 -0.04 0.89 0.72 3ih6A1 GLN 415 H 0.04 0.49 -0.22 -0.55 8.47 8.24 3ih6A1 GLN 415 HA -0.09 0.01 0.57 -0.75 4.36 4.10 3ih6A1 GLN 415 HB2 0.22 0.25 0.08 -0.04 2.15 2.66 3ih6A1 GLN 415 HB3 0.22 -0.01 0.01 -0.04 2.02 2.20 3ih6A1 GLN 415 HG2 0.08 -0.05 0.03 -0.04 2.40 2.41 3ih6A1 GLN 415 HG3 0.03 -0.10 -0.01 -0.04 2.39 2.26 3ih6A1 GLN 415 HE21 -0.39 -0.09 0.03 -0.04 6.97 6.49 3ih6A1 GLN 415 HE22 -0.11 0.33 0.13 -0.04 7.69 8.00 3ih6A1 ARG 416 H -0.11 0.35 -0.21 -0.55 8.46 7.93 3ih6A1 ARG 416 HA -0.46 0.04 0.56 -0.75 4.34 3.73 3ih6A1 ARG 416 HB2 -1.46 0.05 0.15 -0.04 1.90 0.60 3ih6A1 ARG 416 HB3 -0.85 0.12 0.19 -0.04 1.80 1.22 3ih6A1 ARG 416 HG2 -0.57 -0.07 -0.06 -0.04 1.67 0.93 3ih6A1 ARG 416 HG3 -0.95 -0.01 0.05 -0.04 1.67 0.72 3ih6A1 ARG 416 HD2 -1.06 -0.02 -0.03 -0.04 3.22 2.08 3ih6A1 ARG 416 HD3 -2.79 0.02 0.00 -0.04 3.22 0.42 3ih6A1 ASP 417 H -0.22 0.49 -0.06 -0.55 8.40 8.06 3ih6A1 ASP 417 HA -0.22 0.03 0.46 -0.75 4.63 4.15 3ih6A1 ASP 417 HB2 -0.12 0.09 0.08 -0.04 2.71 2.72 3ih6A1 ASP 417 HB3 -0.12 -0.03 0.01 -0.04 2.70 2.52 3ih6A1 ARG 418 H -0.20 0.44 -0.31 -0.55 8.46 7.84 3ih6A1 ARG 418 HA -0.14 0.01 0.40 -0.75 4.34 3.86 3ih6A1 ARG 418 HB2 -0.17 0.09 0.20 -0.04 1.90 1.99 3ih6A1 ARG 418 HB3 -0.15 -0.07 -0.05 -0.04 1.80 1.48 3ih6A1 ARG 418 HG2 -0.08 -0.06 -0.01 -0.04 1.67 1.48 3ih6A1 ARG 418 HG3 -0.09 0.04 -0.00 -0.04 1.67 1.58 3ih6A1 ARG 418 HD2 -0.06 0.01 -0.16 -0.04 3.22 2.97 3ih6A1 ARG 418 HD3 -0.05 -0.05 -0.07 -0.04 3.22 3.01 3ih6A1 VAL 419 H -0.47 0.60 -0.03 -0.55 8.24 7.79 3ih6A1 VAL 419 HA -0.39 0.01 0.59 -0.75 4.13 3.58 3ih6A1 VAL 419 HB -0.74 0.06 0.17 -0.04 2.12 1.57 3ih6A1 VAL 419 HG13 -0.42 -0.02 -0.07 -0.04 0.97 0.42 3ih6A1 VAL 419 HG23 -1.90 0.08 0.06 -0.04 0.95 -0.85 3ih6A1 ARG 420 H -0.29 0.58 -0.10 -0.55 8.46 8.10 3ih6A1 ARG 420 HA -0.14 -0.01 0.48 -0.75 4.34 3.92 3ih6A1 ARG 420 HB2 -0.18 0.18 0.17 -0.04 1.90 2.02 3ih6A1 ARG 420 HB3 -0.12 -0.08 -0.02 -0.04 1.80 1.54 3ih6A1 ARG 420 HG2 -0.15 -0.06 0.06 -0.04 1.67 1.48 3ih6A1 ARG 420 HG3 -0.25 0.23 0.05 -0.04 1.67 1.66 3ih6A1 ARG 420 HD2 -0.12 -0.03 -0.00 -0.04 3.22 3.03 3ih6A1 ARG 420 HD3 -0.16 -0.04 -0.02 -0.04 3.22 2.97 3ih6A1 GLU 421 H -0.15 0.30 -0.39 -0.55 8.60 7.81 3ih6A1 GLU 421 HA -0.08 0.11 0.61 -0.75 4.29 4.18 3ih6A1 ALA 422 H -0.14 0.29 -0.44 -0.55 8.40 7.56 3ih6A1 ALA 422 HA -0.08 -0.08 0.34 -0.75 4.34 3.76 3ih6A1 ALA 422 HB3 -0.14 0.03 0.10 -0.04 1.41 1.37 3ih6A1 LYS 423 H -0.04 0.05 0.24 -0.55 8.42 8.11 3ih6A1 LYS 423 HA -0.03 0.23 0.76 -0.75 4.32 4.52 3ih6A1 LYS 423 HB2 -0.02 -0.12 0.12 -0.04 1.87 1.80 3ih6A1 LYS 423 HB3 -0.02 -0.11 0.13 -0.04 1.79 1.75 3ih6A1 LYS 423 HG2 -0.04 0.22 0.07 -0.04 1.46 1.67 3ih6A1 LYS 423 HG3 -0.03 -0.04 0.05 -0.04 1.46 1.40 3ih6A1 LYS 423 HD2 -0.03 -0.11 0.04 -0.04 1.69 1.56 3ih6A1 LYS 423 HD3 -0.04 0.16 -0.16 -0.04 1.68 1.60 3ih6A1 LYS 423 HE2 -0.03 -0.07 0.01 -0.04 2.99 2.86 3ih6A1 LYS 423 HE3 -0.03 -0.03 -0.01 -0.04 2.99 2.88 3ih6A1 LEU 424 H -0.01 0.18 0.16 -0.55 8.37 8.16 3ih6A1 LEU 424 HA 0.02 0.12 0.32 -0.75 4.35 4.06 3ih6A1 LEU 424 HB2 0.01 0.03 0.11 -0.04 1.64 1.74 3ih6A1 LEU 424 HB3 0.01 -0.04 0.15 -0.04 1.64 1.71 3ih6A1 LEU 424 HG 0.05 0.01 -0.17 -0.04 1.64 1.48 3ih6A1 LEU 424 HD13 0.10 0.04 -0.23 -0.04 0.93 0.79 3ih6A1 LEU 424 HD23 0.02 0.03 -0.07 -0.04 0.89 0.83 3ih6A1 ASP 425 H 0.00 0.09 -0.04 -0.55 8.40 7.91 3ih6A1 ASP 425 HA 0.01 0.11 0.33 -0.75 4.63 4.33 3ih6A1 ASP 425 HB2 -0.00 -0.03 0.11 -0.04 2.71 2.75 3ih6A1 ASP 425 HB3 -0.00 0.06 -0.04 -0.04 2.70 2.68 3ih6A1 ASP 426 H -0.00 0.07 -0.28 -0.55 8.40 7.64 3ih6A1 ASP 426 HA 0.01 0.08 0.53 -0.75 4.63 4.49 3ih6A1 ASP 426 HB2 -0.02 0.08 0.06 -0.04 2.71 2.79 3ih6A1 ASP 426 HB3 -0.00 0.07 0.00 -0.04 2.70 2.72 3ih6A1 VAL 427 H 0.02 0.43 -0.10 -0.55 8.24 8.04 3ih6A1 VAL 427 HA 0.04 0.01 0.57 -0.75 4.13 4.00 3ih6A1 VAL 427 HB 0.06 0.05 0.16 -0.04 2.12 2.35 3ih6A1 VAL 427 HG13 0.06 0.03 -0.08 -0.04 0.97 0.94 3ih6A1 VAL 427 HG23 -0.05 0.01 -0.02 -0.04 0.95 0.85 3ih6A1 GLN 428 H 0.13 0.61 0.10 -0.55 8.47 8.76 3ih6A1 GLN 428 HA -0.04 0.02 0.50 -0.75 4.36 4.08 3ih6A1 GLN 428 HB2 0.02 -0.00 0.10 -0.04 2.15 2.23 3ih6A1 GLN 428 HB3 -0.00 0.05 0.12 -0.04 2.02 2.15 3ih6A1 GLN 428 HG2 -0.07 -0.00 -0.02 -0.04 2.40 2.27 3ih6A1 GLN 428 HG3 -0.09 0.01 -0.26 -0.04 2.39 2.00 3ih6A1 GLN 428 HE21 -0.29 0.35 -0.26 -0.04 6.97 6.73 3ih6A1 GLN 428 HE22 -0.16 -0.04 -0.16 -0.04 7.69 7.29 3ih6A1 ARG 429 H 0.02 0.46 -0.28 -0.55 8.46 8.10 3ih6A1 ARG 429 HA -0.02 0.02 0.32 -0.75 4.34 3.91 3ih6A1 ARG 429 HB2 0.01 0.04 0.18 -0.04 1.90 2.09 3ih6A1 ARG 429 HB3 0.01 -0.04 0.01 -0.04 1.80 1.74 3ih6A1 ARG 429 HG2 -0.02 -0.03 0.01 -0.04 1.67 1.59 3ih6A1 ARG 429 HG3 -0.01 0.12 0.10 -0.04 1.67 1.84 3ih6A1 ARG 429 HD2 -0.00 -0.03 -0.05 -0.04 3.22 3.10 3ih6A1 ARG 429 HD3 -0.00 -0.02 -0.01 -0.04 3.22 3.14 3ih6A1 ALA 430 H 0.06 0.59 -0.10 -0.55 8.40 8.40 3ih6A1 ALA 430 HA 0.17 -0.02 0.47 -0.75 4.34 4.21 3ih6A1 ALA 430 HB3 0.06 0.04 0.10 -0.04 1.41 1.57 3ih6A1 ALA 431 H 0.09 0.50 -0.19 -0.55 8.40 8.25 3ih6A1 ALA 431 HA 0.09 0.05 0.42 -0.75 4.34 4.14 3ih6A1 ALA 431 HB3 0.10 0.02 0.09 -0.04 1.41 1.57 3ih6A1 VAL 432 H -0.04 0.54 -0.04 -0.55 8.24 8.15 3ih6A1 VAL 432 HA -0.08 0.08 0.32 -0.75 4.13 3.70 3ih6A1 VAL 432 HB -0.06 0.08 0.08 -0.04 2.12 2.17 3ih6A1 VAL 432 HG13 -0.06 -0.01 -0.13 -0.04 0.97 0.72 3ih6A1 VAL 432 HG23 -0.14 -0.03 -0.08 -0.04 0.95 0.65 3ih6A1 ALA 433 H 0.02 0.36 -0.43 -0.55 8.40 7.81 3ih6A1 ALA 433 HA -0.10 -0.02 0.36 -0.75 4.34 3.83 3ih6A1 ALA 433 HB3 -0.10 -0.01 0.07 -0.04 1.41 1.34 3ih6A1 TYR 434 H 0.15 0.35 -0.19 -0.55 8.29 8.05 3ih6A1 TYR 434 HA 0.05 0.09 0.75 -0.75 4.56 4.70 3ih6A1 TYR 434 HB2 0.02 0.07 0.10 -0.04 3.06 3.22 3ih6A1 TYR 434 HB3 0.08 0.09 0.02 -0.04 2.98 3.13 3ih6A1 TYR 434 HD2 0.07 0.29 0.04 -0.04 7.15 7.51 3ih6A1 TYR 434 HE2 0.06 -0.06 -0.07 -0.04 6.85 6.73 3ih6A1 LEU 435 H 0.00 0.57 -0.03 -0.55 8.37 8.37 3ih6A1 LEU 435 HA -0.37 0.11 0.59 -0.75 4.35 3.92 3ih6A1 LEU 435 HB2 -0.16 0.05 0.19 -0.04 1.64 1.67 3ih6A1 LEU 435 HB3 -0.36 0.00 -0.03 -0.04 1.64 1.21 3ih6A1 LEU 435 HG -0.09 -0.06 0.01 -0.04 1.64 1.47 3ih6A1 LEU 435 HD13 -0.17 -0.05 0.00 -0.04 0.93 0.68 3ih6A1 LEU 435 HD23 -0.59 0.01 -0.12 -0.04 0.89 0.15 3ih6A1 VAL 436 H 0.19 0.41 -0.01 -0.55 8.24 8.29 3ih6A1 VAL 436 HA 0.05 0.24 0.91 -0.75 4.13 4.57 3ih6A1 VAL 436 HB 0.01 -0.16 0.07 -0.04 2.12 2.00 3ih6A1 VAL 436 HG13 -0.03 0.01 -0.30 -0.04 0.97 0.61 3ih6A1 VAL 436 HG23 0.03 -0.02 -0.12 -0.04 0.95 0.79 3ih6A1 ARG 437 H 0.04 0.18 0.15 -0.55 8.46 8.28 3ih6A1 ARG 437 HA 0.06 0.12 0.39 -0.75 4.34 4.15 3ih6A1 ARG 437 HB2 0.01 -0.04 0.11 -0.04 1.90 1.94 3ih6A1 ARG 437 HB3 0.01 0.02 0.07 -0.04 1.80 1.86 3ih6A1 ARG 437 HG2 0.02 0.03 0.05 -0.04 1.67 1.73 3ih6A1 ARG 437 HG3 0.03 0.03 0.12 -0.04 1.67 1.80 3ih6A1 ARG 437 HD2 0.00 0.03 0.03 -0.04 3.22 3.25 3ih6A1 ARG 437 HD3 0.00 -0.02 0.05 -0.04 3.22 3.21 3ih6A1 SER 438 H 0.02 0.07 -0.23 -0.55 8.46 7.78 3ih6A1 SER 438 HA -0.01 0.12 0.47 -0.75 4.49 4.32 3ih6A1 SER 438 HB2 -0.01 0.01 0.11 -0.04 3.95 4.02 3ih6A1 SER 438 HB3 -0.00 -0.06 0.07 -0.04 3.93 3.90 3ih6A1 ASN 439 H 0.07 0.37 -0.34 -0.55 8.53 8.09 3ih6A1 ASN 439 HA -0.03 0.10 0.79 -0.75 4.76 4.87 3ih6A1 ASN 439 HB2 0.11 -0.10 0.06 -0.04 2.88 2.92 3ih6A1 ASN 439 HB3 0.33 0.15 0.16 -0.04 2.79 3.39 3ih6A1 ASN 439 HD21 0.37 0.33 0.18 -0.04 7.03 7.87 3ih6A1 ASN 439 HD22 0.35 0.38 0.20 -0.04 7.74 8.63 3ih6A1 ARG 440 H -0.05 0.25 -0.18 -0.55 8.46 7.93 3ih6A1 ARG 440 HA -0.78 0.19 0.71 -0.75 4.34 3.71 3ih6A1 ARG 440 HB2 -0.04 0.05 -0.03 -0.04 1.90 1.83 3ih6A1 ARG 440 HB3 -0.08 0.02 0.18 -0.04 1.80 1.88 3ih6A1 ARG 440 HG2 -0.24 0.02 -0.33 -0.04 1.67 1.08 3ih6A1 ARG 440 HG3 -0.18 0.03 -0.10 -0.04 1.67 1.37 3ih6A1 ARG 440 HD2 -0.04 -0.04 -0.06 -0.04 3.22 3.04 3ih6A1 ARG 440 HD3 -0.02 -0.02 -0.10 -0.04 3.22 3.04 3ih6A1 THR 441 H -0.27 0.35 0.23 -0.55 8.28 8.03 3ih6A1 THR 441 HA -0.07 0.06 0.88 -0.75 4.39 4.50 3ih6A1 THR 441 HB -0.04 0.06 0.16 -0.04 4.32 4.45 3ih6A1 THR 441 HG23 -0.01 0.01 -0.08 -0.04 1.22 1.10 3ih6A1 GLU 442 H -0.04 0.07 0.13 -0.55 8.60 8.22 3ih6A1 GLU 442 HA -0.01 0.27 0.68 -0.75 4.29 4.47 3ih6A1 GLU 442 HB2 -0.01 -0.08 0.08 -0.04 2.09 2.04 3ih6A1 GLU 442 HB3 0.01 0.00 0.07 -0.04 1.99 2.03 3ih6A1 GLU 442 HG2 -0.01 0.08 -0.04 -0.04 2.34 2.33 3ih6A1 GLU 442 HG3 -0.03 0.00 -0.08 -0.04 2.34 2.19 3ih6A1 GLY 443 H 0.04 0.73 0.44 -0.55 8.43 9.09 3ih6A1 GLY 443 HA2 0.04 0.05 0.49 -0.51 4.01 4.09 3ih6A1 GLY 443 HA3 0.06 0.05 0.36 -0.51 4.01 3.98 3ih6A1 ARG 444 H 0.07 0.23 0.18 -0.55 8.46 8.40 3ih6A1 ARG 444 HA 0.10 0.21 0.94 -0.75 4.34 4.84 3ih6A1 ARG 444 HB2 0.04 0.03 -0.03 -0.04 1.90 1.90 3ih6A1 ARG 444 HB3 0.04 0.04 0.01 -0.04 1.80 1.85 3ih6A1 ARG 444 HG2 0.04 -0.07 -0.04 -0.04 1.67 1.56 3ih6A1 ARG 444 HG3 0.04 -0.00 0.03 -0.04 1.67 1.70 3ih6A1 ARG 444 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.15 3ih6A1 ARG 444 HD3 0.02 0.00 -0.06 -0.04 3.22 3.13 3ih6A1 TYR 445 H 0.18 1.13 0.39 -0.55 8.29 9.44 3ih6A1 TYR 445 HA 0.03 0.14 1.03 -0.75 4.56 5.00 3ih6A1 TYR 445 HB2 0.05 0.01 -0.01 -0.04 3.06 3.07 3ih6A1 TYR 445 HB3 0.07 -0.03 0.20 -0.04 2.98 3.18 3ih6A1 TYR 445 HD2 0.04 0.05 0.02 -0.04 7.15 7.21 3ih6A1 TYR 445 HE2 0.02 0.00 -0.06 -0.04 6.85 6.77 3ih6A1 ILE 446 H -0.18 0.22 0.03 -0.55 8.25 7.76 3ih6A1 ILE 446 HA -0.29 0.26 0.89 -0.75 4.18 4.28 3ih6A1 ILE 446 HB -0.08 -0.01 -0.08 -0.04 1.89 1.68 3ih6A1 ILE 446 HG12 -0.09 -0.03 -0.16 -0.04 1.49 1.16 3ih6A1 ILE 446 HG13 -0.11 0.17 0.01 -0.04 1.21 1.24 3ih6A1 ILE 446 HG23 -0.05 -0.02 0.05 -0.04 0.93 0.87 3ih6A1 ILE 446 HD13 -0.04 -0.01 -0.02 -0.04 0.88 0.77 3ih6A1 PRO 447 HA -0.27 0.08 0.12 -0.51 4.44 3.87 3ih6A1 PRO 447 HB2 -0.06 0.02 0.05 -0.04 2.28 2.24 3ih6A1 PRO 447 HB3 -0.10 0.05 0.02 -0.04 2.02 1.95 3ih6A1 PRO 447 HG2 -0.11 0.12 0.03 -0.04 2.03 2.03 3ih6A1 PRO 447 HG3 -0.09 -0.04 -0.10 -0.04 2.03 1.76 3ih6A1 PRO 447 HD2 -0.22 0.22 0.09 -0.04 3.68 3.72 3ih6A1 PRO 447 HD3 -0.53 0.24 -0.10 -0.04 3.65 3.22