============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 10 0.840 -32.088 0.803 22.511 -99.200 -91.000 TYR 18 0.840 -33.970 -1.857 18.252 -99.200 -91.000 TYR 24 0.840 -25.169 6.980 14.428 -99.200 -91.000 TYR 25 0.840 -29.856 8.924 24.021 -99.200 -91.000 HIS 28 0.900 -27.061 16.320 20.711 -99.200 -91.000 PHE 31 1.000 -20.842 18.796 21.255 -99.200 -91.000 TYR 41 0.840 -15.246 6.152 34.276 -99.200 -91.000 PHE 73 1.000 -13.981 18.865 23.565 -99.200 -91.000 TRP 112 1.040 -6.083 17.242 18.154 -99.200 -91.000 TRP6 112 1.020 -7.103 18.819 16.726 -99.200 -91.000 PHE 140 1.000 -4.709 17.266 2.780 -99.200 -91.000 TRP 143 1.040 7.629 13.378 0.715 -99.200 -91.000 TRP6 143 1.020 9.157 14.838 -0.351 -99.200 -91.000 PHE 151 1.000 -2.484 17.421 6.431 -99.200 -91.000 PHE 152 1.000 -8.351 21.186 12.170 -99.200 -91.000 TYR 174 0.840 6.493 6.929 10.042 -99.200 -91.000 TYR 184 0.840 -1.175 21.997 4.782 -99.200 -91.000 HIS 207 0.900 8.293 26.326 18.458 -99.200 -91.000 TYR 211 0.840 13.449 21.921 23.459 -99.200 -91.000 TYR 221 0.840 25.777 24.132 10.450 -99.200 -91.000 TYR 226 0.840 32.024 15.870 17.296 -99.200 -91.000 TRP 241 1.040 12.888 18.616 3.824 -99.200 -91.000 TRP6 241 1.020 12.814 20.004 1.917 -99.200 -91.000 TYR 243 0.840 19.899 20.090 9.090 -99.200 -91.000 HIS 244 0.900 17.559 23.517 2.358 -99.200 -91.000 TYR 251 0.840 10.109 26.903 9.466 -99.200 -91.000 HIS 324 0.900 25.355 33.190 16.528 -99.200 -91.000 HIS 328 0.900 27.584 41.583 16.881 -99.200 -91.000 PHE 336 1.000 21.287 48.875 18.582 -99.200 -91.000 HIS 346 0.900 7.039 44.968 26.615 -99.200 -91.000 TYR 362 0.840 22.695 37.596 25.442 -99.200 -91.000 TYR 378 0.840 18.179 53.846 16.618 -99.200 -91.000 PHE 379 1.000 21.227 52.414 24.281 -99.200 -91.000 TRP 411 1.040 29.088 53.633 32.708 -99.200 -91.000 TRP6 411 1.020 29.606 54.641 34.789 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1xm9A1 GLY 244 HA2 -0.01 -0.01 0.17 -0.51 4.01 3.65 1xm9A1 GLY 244 HA3 -0.04 -0.10 0.18 -0.51 4.01 3.53 1xm9A1 LEU 245 H -0.18 0.11 -0.04 -0.55 8.37 7.71 1xm9A1 LEU 245 HA -0.26 0.04 0.31 -0.75 4.35 3.68 1xm9A1 LEU 245 HB2 -0.04 0.34 0.16 -0.04 1.64 2.06 1xm9A1 LEU 245 HB3 -0.03 -0.13 0.08 -0.04 1.64 1.53 1xm9A1 LEU 245 HG 0.05 -0.05 0.07 -0.04 1.64 1.67 1xm9A1 LEU 245 HD13 0.20 -0.02 -0.02 -0.04 0.93 1.05 1xm9A1 LEU 245 HD23 -0.00 0.06 0.05 -0.04 0.89 0.96 1xm9A1 THR 246 H -0.12 0.15 -0.03 -0.55 8.28 7.74 1xm9A1 THR 246 HA -0.05 0.06 0.24 -0.75 4.39 3.89 1xm9A1 THR 246 HB -0.00 0.03 0.12 -0.04 4.32 4.43 1xm9A1 THR 246 HG23 -0.05 0.02 -0.01 -0.04 1.22 1.14 1xm9A1 ILE 247 H 0.09 0.13 0.11 -0.55 8.25 8.03 1xm9A1 ILE 247 HA 0.10 0.11 0.40 -0.75 4.18 4.04 1xm9A1 ILE 247 HB 0.07 0.01 0.17 -0.04 1.89 2.09 1xm9A1 ILE 247 HG12 0.25 0.05 -0.00 -0.04 1.49 1.76 1xm9A1 ILE 247 HG13 0.23 -0.04 0.06 -0.04 1.21 1.42 1xm9A1 ILE 247 HG23 0.07 0.01 -0.23 -0.04 0.93 0.74 1xm9A1 ILE 247 HD13 0.07 0.02 0.02 -0.04 0.88 0.95 1xm9A1 PRO 248 HA 0.01 0.08 0.31 -0.51 4.44 4.34 1xm9A1 PRO 248 HB2 -0.01 0.00 -0.06 -0.04 2.28 2.17 1xm9A1 PRO 248 HB3 0.00 0.09 0.02 -0.04 2.02 2.09 1xm9A1 PRO 248 HG2 0.00 0.07 0.01 -0.04 2.03 2.07 1xm9A1 PRO 248 HG3 0.01 0.07 0.03 -0.04 2.03 2.10 1xm9A1 PRO 248 HD2 -0.02 0.03 -0.08 -0.04 3.68 3.58 1xm9A1 PRO 248 HD3 0.02 0.06 0.14 -0.04 3.65 3.83 1xm9A1 LYS 249 H -0.10 0.12 -0.56 -0.55 8.42 7.32 1xm9A1 LYS 249 HA 0.02 0.10 0.58 -0.75 4.32 4.26 1xm9A1 LYS 249 HB2 0.02 0.01 0.01 -0.04 1.87 1.86 1xm9A1 LYS 249 HB3 -0.05 -0.05 -0.03 -0.04 1.79 1.61 1xm9A1 LYS 249 HG2 -0.25 -0.11 -0.22 -0.04 1.46 0.84 1xm9A1 LYS 249 HG3 -0.41 0.17 -0.04 -0.04 1.46 1.13 1xm9A1 LYS 249 HD2 -0.48 0.00 -0.06 -0.04 1.69 1.12 1xm9A1 LYS 249 HD3 -0.44 0.01 -0.11 -0.04 1.68 1.10 1xm9A1 LYS 249 HE2 0.02 0.12 -0.02 -0.04 2.99 3.07 1xm9A1 LYS 249 HE3 -0.00 0.02 -0.04 -0.04 2.99 2.93 1xm9A1 ALA 250 H -0.25 0.56 0.14 -0.55 8.40 8.30 1xm9A1 ALA 250 HA -0.22 -0.02 0.39 -0.75 4.34 3.73 1xm9A1 ALA 250 HB3 -0.18 0.05 0.14 -0.04 1.41 1.38 1xm9A1 VAL 251 H 0.01 0.46 -0.18 -0.55 8.24 7.98 1xm9A1 VAL 251 HA 0.05 -0.02 0.26 -0.75 4.13 3.67 1xm9A1 VAL 251 HB 0.03 0.17 -0.03 -0.04 2.12 2.24 1xm9A1 VAL 251 HG13 0.02 0.02 -0.26 -0.04 0.97 0.71 1xm9A1 VAL 251 HG23 0.04 -0.02 -0.08 -0.04 0.95 0.85 1xm9A1 GLN 252 H 0.06 0.28 -0.50 -0.55 8.47 7.77 1xm9A1 GLN 252 HA 0.05 0.04 0.59 -0.75 4.36 4.28 1xm9A1 GLN 252 HB2 0.10 0.09 0.14 -0.04 2.15 2.44 1xm9A1 GLN 252 HB3 0.05 -0.08 0.07 -0.04 2.02 2.02 1xm9A1 GLN 252 HG2 0.03 -0.03 -0.01 -0.04 2.40 2.34 1xm9A1 GLN 252 HG3 0.04 0.32 0.21 -0.04 2.39 2.92 1xm9A1 GLN 252 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.89 1xm9A1 GLN 252 HE22 0.01 0.03 0.00 -0.04 7.69 7.70 1xm9A1 TYR 253 H 0.26 0.73 0.16 -0.55 8.29 8.88 1xm9A1 TYR 253 HA 0.05 -0.11 0.37 -0.75 4.56 4.13 1xm9A1 TYR 253 HB2 0.01 0.03 0.30 -0.04 3.06 3.36 1xm9A1 TYR 253 HB3 0.05 -0.02 -0.01 -0.04 2.98 2.96 1xm9A1 TYR 253 HD2 0.03 -0.01 -0.04 -0.04 7.15 7.09 1xm9A1 TYR 253 HE2 -0.02 -0.04 -0.03 -0.04 6.85 6.72 1xm9A1 LEU 254 H 0.13 0.32 -0.78 -0.55 8.37 7.49 1xm9A1 LEU 254 HA 0.07 -0.05 0.43 -0.75 4.35 4.04 1xm9A1 LEU 254 HB2 0.05 0.39 0.14 -0.04 1.64 2.18 1xm9A1 LEU 254 HB3 0.03 -0.06 -0.09 -0.04 1.64 1.48 1xm9A1 LEU 254 HG 0.04 -0.10 -0.08 -0.04 1.64 1.46 1xm9A1 LEU 254 HD13 0.08 -0.02 -0.20 -0.04 0.93 0.75 1xm9A1 LEU 254 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.84 1xm9A1 SER 255 H 0.04 0.31 -0.01 -0.55 8.46 8.25 1xm9A1 SER 255 HA 0.01 0.04 0.37 -0.75 4.49 4.15 1xm9A1 SER 255 HB2 0.01 0.06 0.15 -0.04 3.95 4.13 1xm9A1 SER 255 HB3 -0.00 -0.08 0.05 -0.04 3.93 3.85 1xm9A1 SER 256 H -0.02 0.26 -0.16 -0.55 8.46 7.99 1xm9A1 SER 256 HA -0.03 0.09 0.68 -0.75 4.49 4.48 1xm9A1 SER 256 HB2 -0.08 -0.05 0.07 -0.04 3.95 3.85 1xm9A1 SER 256 HB3 -0.07 0.04 0.05 -0.04 3.93 3.92 1xm9A1 GLN 257 H -0.04 0.11 0.15 -0.55 8.47 8.15 1xm9A1 GLN 257 HA -0.02 0.11 0.28 -0.75 4.36 3.98 1xm9A1 GLN 257 HB2 -0.02 -0.02 0.07 -0.04 2.15 2.14 1xm9A1 GLN 257 HB3 -0.03 0.06 0.15 -0.04 2.02 2.16 1xm9A1 GLN 257 HG2 -0.06 -0.06 0.07 -0.04 2.40 2.31 1xm9A1 GLN 257 HG3 -0.06 -0.02 -0.12 -0.04 2.39 2.15 1xm9A1 GLN 257 HE21 -0.04 0.02 -0.00 -0.04 6.97 6.91 1xm9A1 GLN 257 HE22 -0.06 -0.02 -0.01 -0.04 7.69 7.55 1xm9A1 ASP 258 H -0.07 0.14 -0.30 -0.55 8.40 7.62 1xm9A1 ASP 258 HA -0.00 0.12 0.78 -0.75 4.63 4.77 1xm9A1 ASP 258 HB2 -0.11 0.06 0.08 -0.04 2.71 2.70 1xm9A1 ASP 258 HB3 -0.07 0.02 0.15 -0.04 2.70 2.75 1xm9A1 GLU 259 H 0.03 0.27 0.25 -0.55 8.60 8.60 1xm9A1 GLU 259 HA 0.03 0.18 0.38 -0.75 4.29 4.13 1xm9A1 GLU 259 HB2 0.03 -0.00 0.16 -0.04 2.09 2.23 1xm9A1 GLU 259 HB3 0.02 -0.08 0.08 -0.04 1.99 1.96 1xm9A1 GLU 259 HG2 0.01 0.02 0.08 -0.04 2.34 2.40 1xm9A1 GLU 259 HG3 0.01 0.17 0.10 -0.04 2.34 2.58 1xm9A1 LYS 260 H 0.10 0.12 -0.31 -0.55 8.42 7.78 1xm9A1 LYS 260 HA 0.05 0.04 0.44 -0.75 4.32 4.10 1xm9A1 LYS 260 HB2 0.09 0.01 0.09 -0.04 1.87 2.02 1xm9A1 LYS 260 HB3 0.27 0.02 0.03 -0.04 1.79 2.07 1xm9A1 LYS 260 HG2 -0.18 0.03 -0.14 -0.04 1.46 1.13 1xm9A1 LYS 260 HG3 0.00 -0.01 0.06 -0.04 1.46 1.47 1xm9A1 LYS 260 HD2 0.08 0.00 0.01 -0.04 1.69 1.74 1xm9A1 LYS 260 HD3 0.27 0.01 -0.02 -0.04 1.68 1.90 1xm9A1 LYS 260 HE2 0.09 0.03 -0.01 -0.04 2.99 3.05 1xm9A1 LYS 260 HE3 -0.06 0.02 -0.03 -0.04 2.99 2.87 1xm9A1 TYR 261 H 0.27 0.51 -0.29 -0.55 8.29 8.23 1xm9A1 TYR 261 HA 0.07 0.05 0.75 -0.75 4.56 4.67 1xm9A1 TYR 261 HB2 -0.19 0.13 0.09 -0.04 3.06 3.06 1xm9A1 TYR 261 HB3 -0.54 0.04 0.18 -0.04 2.98 2.62 1xm9A1 TYR 261 HD2 -0.51 -0.07 -0.05 -0.04 7.15 6.48 1xm9A1 TYR 261 HE2 -0.02 0.00 -0.04 -0.04 6.85 6.76 1xm9A1 GLN 262 H 0.08 0.13 -0.37 -0.55 8.47 7.76 1xm9A1 GLN 262 HA 0.07 0.37 0.76 -0.75 4.36 4.80 1xm9A1 GLN 262 HB2 0.02 -0.12 0.15 -0.04 2.15 2.16 1xm9A1 GLN 262 HB3 0.01 -0.01 0.08 -0.04 2.02 2.05 1xm9A1 GLN 262 HG2 0.02 0.41 -0.06 -0.04 2.40 2.72 1xm9A1 GLN 262 HG3 0.03 0.11 -0.41 -0.04 2.39 2.08 1xm9A1 GLN 262 HE21 -0.00 -0.08 -0.04 -0.04 6.97 6.81 1xm9A1 GLN 262 HE22 0.00 0.07 -0.00 -0.04 7.69 7.71 1xm9A1 ALA 263 H 0.04 0.36 -0.01 -0.55 8.40 8.24 1xm9A1 ALA 263 HA -0.18 0.03 0.41 -0.75 4.34 3.85 1xm9A1 ALA 263 HB3 0.07 0.01 0.08 -0.04 1.41 1.52 1xm9A1 ILE 264 H 0.10 0.33 -0.06 -0.55 8.25 8.07 1xm9A1 ILE 264 HA 0.22 -0.00 0.27 -0.75 4.18 3.90 1xm9A1 ILE 264 HB 0.25 0.04 -0.01 -0.04 1.89 2.13 1xm9A1 ILE 264 HG12 0.04 -0.06 0.08 -0.04 1.49 1.50 1xm9A1 ILE 264 HG13 0.02 0.19 0.26 -0.04 1.21 1.64 1xm9A1 ILE 264 HG23 0.05 0.00 -0.09 -0.04 0.93 0.86 1xm9A1 ILE 264 HD13 -0.26 -0.03 0.03 -0.04 0.88 0.58 1xm9A1 GLY 265 H 0.18 0.12 -0.98 -0.55 8.43 7.20 1xm9A1 GLY 265 HA2 0.12 -0.01 0.20 -0.51 4.01 3.82 1xm9A1 GLY 265 HA3 0.14 0.19 0.03 -0.51 4.01 3.87 1xm9A1 ALA 266 H 0.01 0.40 -0.09 -0.55 8.40 8.18 1xm9A1 ALA 266 HA 0.06 0.04 0.31 -0.75 4.34 3.99 1xm9A1 ALA 266 HB3 -0.07 0.04 -0.23 -0.04 1.41 1.11 1xm9A1 TYR 267 H -0.01 0.47 -0.22 -0.55 8.29 7.98 1xm9A1 TYR 267 HA 0.03 -0.03 0.32 -0.75 4.56 4.12 1xm9A1 TYR 267 HB2 0.06 0.16 -0.03 -0.04 3.06 3.21 1xm9A1 TYR 267 HB3 0.04 -0.03 -0.10 -0.04 2.98 2.85 1xm9A1 TYR 267 HD2 0.02 -0.01 -0.15 -0.04 7.15 6.97 1xm9A1 TYR 267 HE2 0.01 -0.04 -0.09 -0.04 6.85 6.69 1xm9A1 TYR 268 H 0.28 0.76 -0.22 -0.55 8.29 8.56 1xm9A1 TYR 268 HA 0.06 -0.07 0.36 -0.75 4.56 4.15 1xm9A1 TYR 268 HB2 0.00 0.03 0.10 -0.04 3.06 3.15 1xm9A1 TYR 268 HB3 0.00 0.16 0.16 -0.04 2.98 3.26 1xm9A1 TYR 268 HD2 -0.03 0.02 -0.18 -0.04 7.15 6.92 1xm9A1 TYR 268 HE2 -0.04 -0.08 -0.18 -0.04 6.85 6.51 1xm9A1 ILE 269 H 0.23 0.56 -0.09 -0.55 8.25 8.40 1xm9A1 ILE 269 HA 0.06 -0.08 0.33 -0.75 4.18 3.73 1xm9A1 ILE 269 HB 0.10 -0.01 0.03 -0.04 1.89 1.97 1xm9A1 ILE 269 HG12 0.14 0.33 0.11 -0.04 1.49 2.02 1xm9A1 ILE 269 HG13 0.09 0.09 -0.07 -0.04 1.21 1.28 1xm9A1 ILE 269 HG23 0.20 -0.03 -0.03 -0.04 0.93 1.03 1xm9A1 ILE 269 HD13 0.07 -0.04 -0.14 -0.04 0.88 0.73 1xm9A1 GLN 270 H 0.09 0.41 -0.63 -0.55 8.47 7.79 1xm9A1 GLN 270 HA 0.05 0.05 0.38 -0.75 4.36 4.08 1xm9A1 GLN 270 HB2 0.11 0.06 0.03 -0.04 2.15 2.30 1xm9A1 GLN 270 HB3 0.09 -0.01 0.15 -0.04 2.02 2.21 1xm9A1 GLN 270 HG2 -0.03 0.03 -0.29 -0.04 2.40 2.07 1xm9A1 GLN 270 HG3 0.02 -0.03 -0.64 -0.04 2.39 1.69 1xm9A1 GLN 270 HE21 0.14 -0.07 -0.07 -0.04 6.97 6.93 1xm9A1 GLN 270 HE22 0.20 0.10 -0.01 -0.04 7.69 7.94 1xm9A1 HIS 271 H 0.09 0.37 0.01 -0.55 8.41 8.33 1xm9A1 HIS 271 HA 0.01 0.03 0.24 -0.75 4.63 4.16 1xm9A1 HIS 271 HB2 -0.05 -0.01 0.08 -0.04 3.26 3.25 1xm9A1 HIS 271 HB3 -0.12 -0.03 0.17 -0.04 3.20 3.18 1xm9A1 HIS 271 HD2 -0.04 0.00 -0.02 -0.04 6.97 6.86 1xm9A1 HIS 271 HE1 0.06 -0.01 -0.06 -0.04 7.75 7.69 1xm9A1 THR 272 H -0.28 0.30 0.04 -0.55 8.28 7.79 1xm9A1 THR 272 HA -0.36 -0.04 0.33 -0.75 4.39 3.57 1xm9A1 THR 272 HB -0.34 0.09 -0.03 -0.04 4.32 4.01 1xm9A1 THR 272 HG23 -0.05 -0.05 -0.13 -0.04 1.22 0.95 1xm9A1 CYS 273 H 0.01 0.32 -0.90 -0.55 8.50 7.38 1xm9A1 CYS 273 HA 0.06 -0.15 0.63 -0.75 4.58 4.36 1xm9A1 CYS 273 HB2 0.06 -0.18 -0.05 -0.04 2.97 2.76 1xm9A1 CYS 273 HB3 0.07 0.59 0.13 -0.04 2.97 3.73 1xm9A1 PHE 274 H 0.24 0.39 -0.28 -0.55 8.34 8.14 1xm9A1 PHE 274 HA 0.07 0.17 0.69 -0.75 4.62 4.80 1xm9A1 PHE 274 HB2 0.11 0.02 0.12 -0.04 3.15 3.36 1xm9A1 PHE 274 HB3 0.17 -0.14 0.17 -0.04 3.06 3.22 1xm9A1 PHE 274 HD2 0.02 0.03 -0.08 -0.04 7.28 7.21 1xm9A1 PHE 274 HE2 -0.02 -0.01 -0.06 -0.04 7.38 7.25 1xm9A1 PHE 274 HZ -0.04 -0.03 -0.05 -0.04 7.32 7.16 1xm9A1 GLN 275 H -0.05 0.14 0.02 -0.55 8.47 8.03 1xm9A1 GLN 275 HA -0.09 0.30 1.02 -0.75 4.36 4.83 1xm9A1 GLN 275 HB2 -1.07 0.02 -0.04 -0.04 2.15 1.01 1xm9A1 GLN 275 HB3 -0.41 -0.02 0.18 -0.04 2.02 1.73 1xm9A1 GLN 275 HG2 -0.15 0.00 0.01 -0.04 2.40 2.22 1xm9A1 GLN 275 HG3 -0.21 0.04 0.01 -0.04 2.39 2.19 1xm9A1 GLN 275 HE21 -0.10 -0.01 0.03 -0.04 6.97 6.85 1xm9A1 GLN 275 HE22 -0.10 0.00 0.06 -0.04 7.69 7.60 1xm9A1 ASP 276 H 0.00 0.03 -0.10 -0.55 8.40 7.79 1xm9A1 ASP 276 HA -0.04 0.29 0.86 -0.75 4.63 4.98 1xm9A1 ASP 276 HB2 -0.02 0.05 0.15 -0.04 2.71 2.85 1xm9A1 ASP 276 HB3 -0.02 0.12 -0.12 -0.04 2.70 2.64 1xm9A1 GLU 277 H 0.01 0.11 0.09 -0.55 8.60 8.26 1xm9A1 GLU 277 HA -0.01 0.15 0.38 -0.75 4.29 4.05 1xm9A1 GLU 277 HB2 -0.04 0.34 0.06 -0.04 2.09 2.40 1xm9A1 GLU 277 HB3 -0.05 -0.03 0.19 -0.04 1.99 2.06 1xm9A1 GLU 277 HG2 -0.06 -0.07 -0.22 -0.04 2.34 1.96 1xm9A1 GLU 277 HG3 -0.08 0.01 -0.04 -0.04 2.34 2.19 1xm9A1 SER 278 H -0.00 0.05 -0.48 -0.55 8.46 7.47 1xm9A1 SER 278 HA -0.01 0.23 0.90 -0.75 4.49 4.86 1xm9A1 SER 278 HB2 -0.00 -0.01 0.04 -0.04 3.95 3.94 1xm9A1 SER 278 HB3 -0.00 0.01 0.04 -0.04 3.93 3.94 1xm9A1 ALA 279 H 0.02 0.09 0.05 -0.55 8.40 8.00 1xm9A1 ALA 279 HA 0.04 0.08 0.45 -0.75 4.34 4.15 1xm9A1 ALA 279 HB3 0.03 0.04 0.01 -0.04 1.41 1.46 1xm9A1 LYS 280 H 0.03 -0.07 -0.72 -0.55 8.42 7.11 1xm9A1 LYS 280 HA 0.07 0.19 0.47 -0.75 4.32 4.29 1xm9A1 LYS 280 HB2 0.01 0.03 -0.05 -0.04 1.87 1.81 1xm9A1 LYS 280 HB3 0.04 0.14 0.02 -0.04 1.79 1.95 1xm9A1 LYS 280 HG2 0.07 0.14 -0.02 -0.04 1.46 1.61 1xm9A1 LYS 280 HG3 0.03 -0.41 -0.01 -0.04 1.46 1.03 1xm9A1 LYS 280 HD2 0.00 -0.08 0.05 -0.04 1.69 1.62 1xm9A1 LYS 280 HD3 0.04 0.35 0.03 -0.04 1.68 2.07 1xm9A1 LYS 280 HE2 0.13 0.19 -0.01 -0.04 2.99 3.26 1xm9A1 LYS 280 HE3 0.08 -0.33 0.02 -0.04 2.99 2.71 1xm9A1 GLN 281 H 0.02 0.12 -0.30 -0.55 8.47 7.75 1xm9A1 GLN 281 HA -0.01 0.02 0.38 -0.75 4.36 3.99 1xm9A1 GLN 281 HB2 0.02 0.11 0.23 -0.04 2.15 2.47 1xm9A1 GLN 281 HB3 0.01 -0.02 0.06 -0.04 2.02 2.03 1xm9A1 GLN 281 HG2 -0.02 0.18 0.27 -0.04 2.40 2.79 1xm9A1 GLN 281 HG3 -0.02 -0.02 0.20 -0.04 2.39 2.51 1xm9A1 GLN 281 HE21 -0.07 -0.04 0.06 -0.04 6.97 6.88 1xm9A1 GLN 281 HE22 -0.04 0.05 0.09 -0.04 7.69 7.75 1xm9A1 GLN 282 H 0.05 0.51 -0.12 -0.55 8.47 8.35 1xm9A1 GLN 282 HA 0.06 0.04 0.22 -0.75 4.36 3.92 1xm9A1 GLN 282 HB2 0.05 0.02 0.10 -0.04 2.15 2.28 1xm9A1 GLN 282 HB3 0.05 -0.01 -0.05 -0.04 2.02 1.97 1xm9A1 GLN 282 HG2 0.03 0.00 0.01 -0.04 2.40 2.40 1xm9A1 GLN 282 HG3 0.03 0.29 0.08 -0.04 2.39 2.76 1xm9A1 GLN 282 HE21 0.02 -0.01 -0.06 -0.04 6.97 6.88 1xm9A1 GLN 282 HE22 0.02 -0.01 -0.33 -0.04 7.69 7.33 1xm9A1 VAL 283 H 0.07 0.48 -0.15 -0.55 8.24 8.09 1xm9A1 VAL 283 HA 0.06 -0.02 0.25 -0.75 4.13 3.66 1xm9A1 VAL 283 HB 0.09 0.11 0.05 -0.04 2.12 2.32 1xm9A1 VAL 283 HG13 0.06 -0.04 -0.09 -0.04 0.97 0.86 1xm9A1 VAL 283 HG23 0.08 0.20 0.12 -0.04 0.95 1.31 1xm9A1 TYR 284 H 0.18 0.58 -0.50 -0.55 8.29 8.01 1xm9A1 TYR 284 HA 0.02 -0.11 0.47 -0.75 4.56 4.18 1xm9A1 TYR 284 HB2 0.01 0.01 0.13 -0.04 3.06 3.17 1xm9A1 TYR 284 HB3 0.01 0.27 0.34 -0.04 2.98 3.55 1xm9A1 TYR 284 HD2 0.01 0.02 -0.06 -0.04 7.15 7.08 1xm9A1 TYR 284 HE2 0.00 -0.01 -0.11 -0.04 6.85 6.69 1xm9A1 GLN 285 H 0.33 0.71 0.18 -0.55 8.47 9.15 1xm9A1 GLN 285 HA 0.05 0.00 0.42 -0.75 4.36 4.08 1xm9A1 GLN 285 HB2 0.09 -0.02 0.14 -0.04 2.15 2.32 1xm9A1 GLN 285 HB3 0.22 -0.07 0.11 -0.04 2.02 2.25 1xm9A1 GLN 285 HG2 0.16 0.58 -0.03 -0.04 2.40 3.07 1xm9A1 GLN 285 HG3 0.08 -0.04 -0.12 -0.04 2.39 2.28 1xm9A1 GLN 285 HE21 0.03 -0.02 -0.04 -0.04 6.97 6.90 1xm9A1 GLN 285 HE22 0.04 0.00 -0.08 -0.04 7.69 7.61 1xm9A1 LEU 286 H 0.02 0.13 -1.30 -0.55 8.37 6.67 1xm9A1 LEU 286 HA 0.01 0.12 0.77 -0.75 4.35 4.49 1xm9A1 LEU 286 HB2 0.03 0.02 -0.07 -0.04 1.64 1.58 1xm9A1 LEU 286 HB3 0.02 -0.07 -0.02 -0.04 1.64 1.53 1xm9A1 LEU 286 HG 0.04 0.05 -0.25 -0.04 1.64 1.43 1xm9A1 LEU 286 HD13 0.04 -0.08 -0.36 -0.04 0.93 0.49 1xm9A1 LEU 286 HD23 0.02 0.00 -0.01 -0.04 0.89 0.86 1xm9A1 GLY 287 H -0.09 0.70 0.13 -0.55 8.43 8.62 1xm9A1 GLY 287 HA2 -0.12 -0.03 0.39 -0.51 4.01 3.74 1xm9A1 GLY 287 HA3 -0.05 0.10 0.52 -0.51 4.01 4.06 1xm9A1 GLY 288 H -0.01 0.77 0.11 -0.55 8.43 8.75 1xm9A1 GLY 288 HA2 0.01 0.11 0.45 -0.51 4.01 4.07 1xm9A1 GLY 288 HA3 0.02 0.02 0.25 -0.51 4.01 3.80 1xm9A1 ILE 289 H -0.03 0.00 -0.17 -0.55 8.25 7.49 1xm9A1 ILE 289 HA 0.02 0.08 0.25 -0.75 4.18 3.78 1xm9A1 ILE 289 HB -0.06 -0.09 0.02 -0.04 1.89 1.72 1xm9A1 ILE 289 HG12 -0.07 -0.00 -0.01 -0.04 1.49 1.37 1xm9A1 ILE 289 HG13 0.01 0.01 -0.01 -0.04 1.21 1.19 1xm9A1 ILE 289 HG23 0.02 0.01 -0.20 -0.04 0.93 0.72 1xm9A1 ILE 289 HD13 -0.22 0.05 0.16 -0.04 0.88 0.83 1xm9A1 CYS 290 H -0.04 0.09 -0.19 -0.55 8.50 7.81 1xm9A1 CYS 290 HA -0.01 0.09 0.30 -0.75 4.58 4.20 1xm9A1 CYS 290 HB2 -0.03 -0.01 0.07 -0.04 2.97 2.96 1xm9A1 CYS 290 HB3 -0.03 0.08 0.09 -0.04 2.97 3.06 1xm9A1 LYS 291 H -0.01 0.28 -0.23 -0.55 8.42 7.91 1xm9A1 LYS 291 HA -0.00 0.00 0.36 -0.75 4.32 3.93 1xm9A1 LYS 291 HB2 0.01 0.09 0.18 -0.04 1.87 2.11 1xm9A1 LYS 291 HB3 0.02 -0.00 0.05 -0.04 1.79 1.81 1xm9A1 LYS 291 HG2 0.00 -0.02 0.06 -0.04 1.46 1.46 1xm9A1 LYS 291 HG3 0.02 0.14 0.08 -0.04 1.46 1.66 1xm9A1 LYS 291 HD2 0.01 -0.02 -0.19 -0.04 1.69 1.45 1xm9A1 LYS 291 HD3 0.01 -0.01 -0.25 -0.04 1.68 1.40 1xm9A1 LYS 291 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 1xm9A1 LYS 291 HE3 0.00 -0.02 0.23 -0.04 2.99 3.16 1xm9A1 LEU 292 H 0.01 0.55 -0.07 -0.55 8.37 8.31 1xm9A1 LEU 292 HA 0.00 -0.05 0.37 -0.75 4.35 3.92 1xm9A1 LEU 292 HB2 0.01 0.15 0.07 -0.04 1.64 1.84 1xm9A1 LEU 292 HB3 0.01 -0.04 -0.02 -0.04 1.64 1.54 1xm9A1 LEU 292 HG 0.02 0.08 0.05 -0.04 1.64 1.76 1xm9A1 LEU 292 HD13 0.04 -0.02 -0.16 -0.04 0.93 0.74 1xm9A1 LEU 292 HD23 0.02 -0.03 -0.04 -0.04 0.89 0.80 1xm9A1 VAL 293 H 0.00 0.48 -0.28 -0.55 8.24 7.89 1xm9A1 VAL 293 HA 0.00 -0.07 0.26 -0.75 4.13 3.57 1xm9A1 VAL 293 HB -0.00 0.17 0.09 -0.04 2.12 2.33 1xm9A1 VAL 293 HG13 0.00 -0.01 -0.18 -0.04 0.97 0.74 1xm9A1 VAL 293 HG23 0.00 0.13 -0.11 -0.04 0.95 0.94 1xm9A1 ASP 294 H -0.00 0.45 -0.23 -0.55 8.40 8.07 1xm9A1 ASP 294 HA -0.00 0.06 0.55 -0.75 4.63 4.48 1xm9A1 ASP 294 HB2 -0.00 -0.05 0.21 -0.04 2.71 2.83 1xm9A1 ASP 294 HB3 -0.00 -0.07 0.06 -0.04 2.70 2.65 1xm9A1 LEU 295 H -0.00 0.35 0.09 -0.55 8.37 8.26 1xm9A1 LEU 295 HA -0.01 -0.07 0.32 -0.75 4.35 3.85 1xm9A1 LEU 295 HB2 -0.01 0.18 0.12 -0.04 1.64 1.88 1xm9A1 LEU 295 HB3 -0.02 0.03 0.05 -0.04 1.64 1.66 1xm9A1 LEU 295 HG -0.00 -0.05 0.08 -0.04 1.64 1.62 1xm9A1 LEU 295 HD13 0.00 0.12 0.02 -0.04 0.93 1.02 1xm9A1 LEU 295 HD23 -0.00 -0.02 0.02 -0.04 0.89 0.85 1xm9A1 LEU 296 H -0.01 0.27 -0.86 -0.55 8.37 7.23 1xm9A1 LEU 296 HA -0.01 -0.07 0.44 -0.75 4.35 3.96 1xm9A1 LEU 296 HB2 -0.00 0.20 0.10 -0.04 1.64 1.89 1xm9A1 LEU 296 HB3 -0.00 -0.06 0.02 -0.04 1.64 1.55 1xm9A1 LEU 296 HG -0.00 0.18 -0.07 -0.04 1.64 1.70 1xm9A1 LEU 296 HD13 0.00 -0.00 -0.10 -0.04 0.93 0.79 1xm9A1 LEU 296 HD23 -0.01 -0.05 -0.06 -0.04 0.89 0.74 1xm9A1 ARG 297 H -0.00 0.89 0.01 -0.55 8.46 8.80 1xm9A1 ARG 297 HA -0.00 0.05 0.41 -0.75 4.34 4.04 1xm9A1 ARG 297 HB2 -0.00 -0.07 -0.10 -0.04 1.90 1.69 1xm9A1 ARG 297 HB3 -0.00 -0.07 0.02 -0.04 1.80 1.71 1xm9A1 ARG 297 HG2 0.00 -0.04 0.04 -0.04 1.67 1.63 1xm9A1 ARG 297 HG3 -0.00 0.16 0.15 -0.04 1.67 1.93 1xm9A1 ARG 297 HD2 -0.00 -0.04 0.03 -0.04 3.22 3.16 1xm9A1 ARG 297 HD3 -0.00 -0.07 -0.01 -0.04 3.22 3.10 1xm9A1 SER 298 H -0.01 0.36 -0.57 -0.55 8.46 7.70 1xm9A1 SER 298 HA -0.00 -0.02 0.29 -0.75 4.49 4.00 1xm9A1 SER 298 HB2 -0.01 -0.09 0.12 -0.04 3.95 3.93 1xm9A1 SER 298 HB3 -0.01 0.68 0.13 -0.04 3.93 4.69 1xm9A1 PRO 299 HA 0.00 0.21 0.57 -0.51 4.44 4.71 1xm9A1 PRO 299 HB2 0.00 -0.07 0.03 -0.04 2.28 2.21 1xm9A1 PRO 299 HB3 0.00 0.03 0.14 -0.04 2.02 2.15 1xm9A1 PRO 299 HG2 0.00 -0.00 0.07 -0.04 2.03 2.06 1xm9A1 PRO 299 HG3 0.00 0.15 0.03 -0.04 2.03 2.17 1xm9A1 PRO 299 HD2 0.00 0.01 0.20 -0.04 3.68 3.85 1xm9A1 PRO 299 HD3 -0.00 0.17 0.17 -0.04 3.65 3.95 1xm9A1 ASN 300 H -0.00 0.16 -0.23 -0.55 8.53 7.92 1xm9A1 ASN 300 HA 0.01 0.19 0.97 -0.75 4.76 5.18 1xm9A1 ASN 300 HB2 0.01 0.09 0.04 -0.04 2.88 2.98 1xm9A1 ASN 300 HB3 0.00 -0.04 0.14 -0.04 2.79 2.84 1xm9A1 ASN 300 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 1xm9A1 ASN 300 HD22 0.02 0.08 0.02 -0.04 7.74 7.82 1xm9A1 GLN 301 H 0.01 0.25 0.15 -0.55 8.47 8.34 1xm9A1 GLN 301 HA 0.01 0.21 0.34 -0.75 4.36 4.16 1xm9A1 GLN 301 HB2 0.02 -0.04 0.12 -0.04 2.15 2.22 1xm9A1 GLN 301 HB3 0.02 -0.05 0.05 -0.04 2.02 1.99 1xm9A1 GLN 301 HG2 0.01 0.08 0.13 -0.04 2.40 2.59 1xm9A1 GLN 301 HG3 0.02 -0.00 0.08 -0.04 2.39 2.44 1xm9A1 GLN 301 HE21 0.01 -0.03 0.11 -0.04 6.97 7.02 1xm9A1 GLN 301 HE22 0.02 -0.08 0.08 -0.04 7.69 7.66 1xm9A1 ASN 302 H 0.02 0.12 -0.22 -0.55 8.53 7.90 1xm9A1 ASN 302 HA 0.06 0.06 0.54 -0.75 4.76 4.66 1xm9A1 ASN 302 HB2 0.04 -0.00 0.08 -0.04 2.88 2.96 1xm9A1 ASN 302 HB3 0.12 0.05 0.01 -0.04 2.79 2.92 1xm9A1 ASN 302 HD21 0.05 0.06 0.02 -0.04 7.03 7.13 1xm9A1 ASN 302 HD22 0.05 0.00 0.04 -0.04 7.74 7.79 1xm9A1 VAL 303 H -0.03 0.12 -0.15 -0.55 8.24 7.64 1xm9A1 VAL 303 HA -0.15 0.03 0.33 -0.75 4.13 3.58 1xm9A1 VAL 303 HB -0.02 0.10 0.03 -0.04 2.12 2.19 1xm9A1 VAL 303 HG13 -0.03 0.05 0.02 -0.04 0.97 0.97 1xm9A1 VAL 303 HG23 -0.02 -0.05 0.02 -0.04 0.95 0.87 1xm9A1 GLN 304 H -0.04 -0.04 -1.19 -0.55 8.47 6.66 1xm9A1 GLN 304 HA -0.03 0.21 0.60 -0.75 4.36 4.39 1xm9A1 GLN 304 HB2 -0.00 0.08 0.23 -0.04 2.15 2.42 1xm9A1 GLN 304 HB3 -0.01 -0.06 0.00 -0.04 2.02 1.91 1xm9A1 GLN 304 HG2 -0.01 0.25 -0.06 -0.04 2.40 2.55 1xm9A1 GLN 304 HG3 -0.01 0.12 -0.35 -0.04 2.39 2.11 1xm9A1 GLN 304 HE21 0.00 -0.04 -0.14 -0.04 6.97 6.75 1xm9A1 GLN 304 HE22 0.00 -0.14 -0.69 -0.04 7.69 6.83 1xm9A1 GLN 305 H -0.02 0.57 0.26 -0.55 8.47 8.73 1xm9A1 GLN 305 HA 0.02 -0.00 0.42 -0.75 4.36 4.03 1xm9A1 GLN 305 HB2 0.10 0.00 0.24 -0.04 2.15 2.45 1xm9A1 GLN 305 HB3 0.12 -0.04 -0.00 -0.04 2.02 2.05 1xm9A1 GLN 305 HG2 0.04 -0.11 -0.01 -0.04 2.40 2.27 1xm9A1 GLN 305 HG3 0.04 0.34 0.05 -0.04 2.39 2.78 1xm9A1 GLN 305 HE21 0.06 0.02 -0.04 -0.04 6.97 6.98 1xm9A1 GLN 305 HE22 0.06 -0.04 -0.22 -0.04 7.69 7.45 1xm9A1 ALA 306 H -0.27 0.73 0.07 -0.55 8.40 8.39 1xm9A1 ALA 306 HA -0.29 -0.04 0.23 -0.75 4.34 3.48 1xm9A1 ALA 306 HB3 -0.86 -0.03 0.06 -0.04 1.41 0.54 1xm9A1 ALA 307 H -0.12 0.32 -0.46 -0.55 8.40 7.59 1xm9A1 ALA 307 HA -0.03 -0.03 0.35 -0.75 4.34 3.88 1xm9A1 ALA 307 HB3 -0.03 0.08 0.01 -0.04 1.41 1.43 1xm9A1 ALA 308 H -0.03 0.51 -0.27 -0.55 8.40 8.06 1xm9A1 ALA 308 HA 0.00 0.01 0.30 -0.75 4.34 3.89 1xm9A1 ALA 308 HB3 0.00 0.01 0.12 -0.04 1.41 1.49 1xm9A1 GLY 309 H 0.01 0.66 -0.08 -0.55 8.43 8.48 1xm9A1 GLY 309 HA2 -0.01 -0.02 0.37 -0.51 4.01 3.84 1xm9A1 GLY 309 HA3 0.02 0.01 0.24 -0.51 4.01 3.77 1xm9A1 ALA 310 H 0.03 0.53 -0.12 -0.55 8.40 8.29 1xm9A1 ALA 310 HA 0.04 -0.03 0.26 -0.75 4.34 3.86 1xm9A1 ALA 310 HB3 0.04 0.04 -0.03 -0.04 1.41 1.41 1xm9A1 LEU 311 H 0.02 0.53 -0.58 -0.55 8.37 7.79 1xm9A1 LEU 311 HA 0.04 -0.03 0.38 -0.75 4.35 3.99 1xm9A1 LEU 311 HB2 0.02 0.24 0.12 -0.04 1.64 1.97 1xm9A1 LEU 311 HB3 0.03 -0.12 -0.08 -0.04 1.64 1.43 1xm9A1 LEU 311 HG 0.02 -0.01 -0.08 -0.04 1.64 1.52 1xm9A1 LEU 311 HD13 0.01 0.00 -0.29 -0.04 0.93 0.61 1xm9A1 LEU 311 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.78 1xm9A1 ARG 312 H 0.01 0.52 0.07 -0.55 8.46 8.51 1xm9A1 ARG 312 HA 0.02 -0.08 0.36 -0.75 4.34 3.89 1xm9A1 ARG 312 HB2 -0.00 0.05 0.12 -0.04 1.90 2.02 1xm9A1 ARG 312 HB3 -0.03 0.05 0.17 -0.04 1.80 1.94 1xm9A1 ARG 312 HG2 -0.08 0.02 -0.30 -0.04 1.67 1.27 1xm9A1 ARG 312 HG3 -0.02 -0.03 -0.33 -0.04 1.67 1.25 1xm9A1 ARG 312 HD2 -0.02 0.03 0.02 -0.04 3.22 3.21 1xm9A1 ARG 312 HD3 -0.08 -0.02 -0.07 -0.04 3.22 3.02 1xm9A1 ASN 313 H -0.00 0.59 -0.18 -0.55 8.53 8.39 1xm9A1 ASN 313 HA 0.06 -0.02 0.52 -0.75 4.76 4.56 1xm9A1 ASN 313 HB2 0.02 0.06 0.05 -0.04 2.88 2.97 1xm9A1 ASN 313 HB3 0.10 0.20 0.02 -0.04 2.79 3.06 1xm9A1 ASN 313 HD21 -0.56 -0.10 -0.07 -0.04 7.03 6.26 1xm9A1 ASN 313 HD22 -0.15 0.05 0.01 -0.04 7.74 7.62 1xm9A1 LEU 314 H 0.06 0.57 -0.06 -0.55 8.37 8.40 1xm9A1 LEU 314 HA 0.09 0.01 0.36 -0.75 4.35 4.06 1xm9A1 LEU 314 HB2 0.06 0.37 0.21 -0.04 1.64 2.25 1xm9A1 LEU 314 HB3 0.07 -0.07 -0.05 -0.04 1.64 1.55 1xm9A1 LEU 314 HG 0.08 0.05 0.03 -0.04 1.64 1.76 1xm9A1 LEU 314 HD13 0.07 -0.05 -0.14 -0.04 0.93 0.77 1xm9A1 LEU 314 HD23 0.09 -0.03 0.07 -0.04 0.89 0.98 1xm9A1 VAL 315 H 0.08 0.46 -0.41 -0.55 8.24 7.82 1xm9A1 VAL 315 HA 0.06 -0.04 0.46 -0.75 4.13 3.86 1xm9A1 VAL 315 HB 0.06 0.15 0.02 -0.04 2.12 2.31 1xm9A1 VAL 315 HG13 0.05 -0.06 -0.30 -0.04 0.97 0.62 1xm9A1 VAL 315 HG23 0.05 -0.03 -0.23 -0.04 0.95 0.71 1xm9A1 PHE 316 H 0.20 0.42 -0.09 -0.55 8.34 8.31 1xm9A1 PHE 316 HA -0.05 -0.17 0.33 -0.75 4.62 3.97 1xm9A1 PHE 316 HB2 -0.01 0.06 0.20 -0.04 3.15 3.36 1xm9A1 PHE 316 HB3 0.04 0.22 0.19 -0.04 3.06 3.47 1xm9A1 PHE 316 HD2 0.01 0.02 0.04 -0.04 7.28 7.31 1xm9A1 PHE 316 HE2 -0.04 -0.04 -0.03 -0.04 7.38 7.23 1xm9A1 PHE 316 HZ -0.04 -0.04 -0.03 -0.04 7.32 7.16 1xm9A1 ARG 317 H -0.05 0.01 0.12 -0.55 8.46 7.99 1xm9A1 ARG 317 HA -0.19 -0.10 0.39 -0.75 4.34 3.68 1xm9A1 ARG 317 HB2 -0.89 -0.05 -0.07 -0.04 1.90 0.85 1xm9A1 ARG 317 HB3 -0.65 0.21 -0.03 -0.04 1.80 1.29 1xm9A1 ARG 317 HG2 -0.22 -0.03 0.04 -0.04 1.67 1.41 1xm9A1 ARG 317 HG3 -0.24 -0.04 0.04 -0.04 1.67 1.38 1xm9A1 ARG 317 HD2 -0.40 -0.01 -0.01 -0.04 3.22 2.76 1xm9A1 ARG 317 HD3 -0.33 0.03 0.03 -0.04 3.22 2.91 1xm9A1 SER 318 H -0.07 0.07 -0.10 -0.55 8.46 7.82 1xm9A1 SER 318 HA -0.08 -0.02 0.49 -0.75 4.49 4.13 1xm9A1 SER 318 HB2 -0.06 0.34 -0.10 -0.04 3.95 4.10 1xm9A1 SER 318 HB3 -0.02 0.13 0.03 -0.04 3.93 4.04 1xm9A1 THR 319 H -0.06 0.20 0.11 -0.55 8.28 7.98 1xm9A1 THR 319 HA -0.02 0.06 0.40 -0.75 4.39 4.08 1xm9A1 THR 319 HB -0.05 -0.03 0.15 -0.04 4.32 4.35 1xm9A1 THR 319 HG23 -0.02 0.01 0.00 -0.04 1.22 1.17 1xm9A1 THR 320 H -0.07 0.09 -0.16 -0.55 8.28 7.59 1xm9A1 THR 320 HA -0.04 0.04 0.33 -0.75 4.39 3.97 1xm9A1 THR 320 HB -0.23 -0.13 0.14 -0.04 4.32 4.06 1xm9A1 THR 320 HG23 -0.40 0.02 -0.02 -0.04 1.22 0.78 1xm9A1 ASN 321 H -0.05 0.15 -0.04 -0.55 8.53 8.05 1xm9A1 ASN 321 HA 0.23 -0.05 0.28 -0.75 4.76 4.48 1xm9A1 ASN 321 HB2 0.04 0.17 0.02 -0.04 2.88 3.07 1xm9A1 ASN 321 HB3 0.10 0.01 -0.13 -0.04 2.79 2.73 1xm9A1 ASN 321 HD21 -0.00 -0.10 -0.09 -0.04 7.03 6.79 1xm9A1 ASN 321 HD22 -0.00 0.12 0.04 -0.04 7.74 7.85 1xm9A1 LYS 322 H 0.02 0.40 -0.63 -0.55 8.42 7.65 1xm9A1 LYS 322 HA 0.04 0.02 0.44 -0.75 4.32 4.07 1xm9A1 LYS 322 HB2 0.01 0.21 0.27 -0.04 1.87 2.32 1xm9A1 LYS 322 HB3 0.02 -0.08 0.06 -0.04 1.79 1.75 1xm9A1 LYS 322 HG2 0.03 -0.05 -0.10 -0.04 1.46 1.30 1xm9A1 LYS 322 HG3 0.01 0.26 -0.04 -0.04 1.46 1.65 1xm9A1 LYS 322 HD2 -0.01 -0.11 -0.07 -0.04 1.69 1.46 1xm9A1 LYS 322 HD3 0.01 0.02 0.03 -0.04 1.68 1.69 1xm9A1 LYS 322 HE2 0.02 0.09 -0.23 -0.04 2.99 2.83 1xm9A1 LYS 322 HE3 -0.01 -0.12 -0.14 -0.04 2.99 2.67 1xm9A1 LEU 323 H 0.03 0.58 0.25 -0.55 8.37 8.68 1xm9A1 LEU 323 HA 0.03 -0.06 0.41 -0.75 4.35 3.97 1xm9A1 LEU 323 HB2 0.05 0.08 0.22 -0.04 1.64 1.95 1xm9A1 LEU 323 HB3 0.03 -0.06 0.08 -0.04 1.64 1.66 1xm9A1 LEU 323 HG 0.01 0.40 0.23 -0.04 1.64 2.23 1xm9A1 LEU 323 HD13 0.01 -0.03 -0.01 -0.04 0.93 0.86 1xm9A1 LEU 323 HD23 0.01 -0.04 0.09 -0.04 0.89 0.91 1xm9A1 GLU 324 H 0.11 0.49 -0.21 -0.55 8.60 8.45 1xm9A1 GLU 324 HA 0.05 -0.02 0.36 -0.75 4.29 3.93 1xm9A1 GLU 324 HB2 0.22 -0.03 -0.01 -0.04 2.09 2.24 1xm9A1 GLU 324 HB3 0.19 0.07 -0.03 -0.04 1.99 2.19 1xm9A1 GLU 324 HG2 -0.14 -0.03 -0.07 -0.04 2.34 2.06 1xm9A1 GLU 324 HG3 -0.01 0.01 -0.29 -0.04 2.34 2.01 1xm9A1 THR 325 H 0.06 0.61 -0.24 -0.55 8.28 8.16 1xm9A1 THR 325 HA 0.03 -0.02 0.29 -0.75 4.39 3.93 1xm9A1 THR 325 HB 0.03 0.02 0.11 -0.04 4.32 4.44 1xm9A1 THR 325 HG23 0.03 -0.05 -0.05 -0.04 1.22 1.10 1xm9A1 ARG 326 H 0.03 0.54 -0.32 -0.55 8.46 8.15 1xm9A1 ARG 326 HA 0.02 -0.22 0.64 -0.75 4.34 4.03 1xm9A1 ARG 326 HB2 0.02 -0.04 0.10 -0.04 1.90 1.94 1xm9A1 ARG 326 HB3 0.02 0.27 0.26 -0.04 1.80 2.31 1xm9A1 ARG 326 HG2 0.01 0.05 -0.35 -0.04 1.67 1.35 1xm9A1 ARG 326 HG3 0.01 -0.10 0.02 -0.04 1.67 1.56 1xm9A1 ARG 326 HD2 0.01 -0.00 -0.02 -0.04 3.22 3.17 1xm9A1 ARG 326 HD3 0.01 -0.04 0.04 -0.04 3.22 3.19 1xm9A1 ARG 327 H 0.02 0.52 0.16 -0.55 8.46 8.61 1xm9A1 ARG 327 HA 0.01 -0.01 0.38 -0.75 4.34 3.96 1xm9A1 ARG 327 HB2 0.01 0.07 0.07 -0.04 1.90 2.02 1xm9A1 ARG 327 HB3 0.01 -0.02 0.08 -0.04 1.80 1.83 1xm9A1 ARG 327 HG2 0.03 0.22 0.07 -0.04 1.67 1.95 1xm9A1 ARG 327 HG3 0.03 -0.07 -0.08 -0.04 1.67 1.52 1xm9A1 ARG 327 HD2 0.02 0.01 0.02 -0.04 3.22 3.22 1xm9A1 ARG 327 HD3 0.01 -0.02 0.04 -0.04 3.22 3.21 1xm9A1 GLN 328 H 0.01 0.40 -0.75 -0.55 8.47 7.59 1xm9A1 GLN 328 HA -0.01 0.08 0.53 -0.75 4.36 4.20 1xm9A1 GLN 328 HB2 0.00 0.11 -0.10 -0.04 2.15 2.12 1xm9A1 GLN 328 HB3 -0.01 -0.02 0.03 -0.04 2.02 1.98 1xm9A1 GLN 328 HG2 -0.02 0.07 -0.10 -0.04 2.40 2.32 1xm9A1 GLN 328 HG3 -0.02 -0.14 -0.20 -0.04 2.39 1.99 1xm9A1 GLN 328 HE21 -0.05 0.05 0.00 -0.04 6.97 6.93 1xm9A1 GLN 328 HE22 -0.08 -0.06 -0.03 -0.04 7.69 7.47 1xm9A1 ASN 329 H 0.01 0.86 -0.26 -0.55 8.53 8.59 1xm9A1 ASN 329 HA 0.01 -0.07 0.36 -0.75 4.76 4.30 1xm9A1 ASN 329 HB2 0.00 0.25 -0.29 -0.04 2.88 2.79 1xm9A1 ASN 329 HB3 0.00 -0.05 0.31 -0.04 2.79 3.01 1xm9A1 ASN 329 HD21 0.00 -0.04 -0.03 -0.04 7.03 6.92 1xm9A1 ASN 329 HD22 0.00 0.06 -0.13 -0.04 7.74 7.63 1xm9A1 GLY 330 H 0.01 0.20 0.25 -0.55 8.43 8.34 1xm9A1 GLY 330 HA2 0.01 0.28 0.89 -0.51 4.01 4.68 1xm9A1 GLY 330 HA3 0.01 0.20 0.30 -0.51 4.01 4.01 1xm9A1 ILE 331 H 0.01 0.17 0.14 -0.55 8.25 8.02 1xm9A1 ILE 331 HA 0.01 0.07 0.35 -0.75 4.18 3.85 1xm9A1 ILE 331 HB 0.01 0.00 0.03 -0.04 1.89 1.89 1xm9A1 ILE 331 HG12 0.01 0.03 -0.01 -0.04 1.49 1.48 1xm9A1 ILE 331 HG13 0.01 -0.02 0.03 -0.04 1.21 1.19 1xm9A1 ILE 331 HG23 0.00 0.01 -0.12 -0.04 0.93 0.78 1xm9A1 ILE 331 HD13 0.01 0.00 -0.05 -0.04 0.88 0.80 1xm9A1 ARG 332 H 0.01 -0.01 -0.71 -0.55 8.46 7.19 1xm9A1 ARG 332 HA 0.01 0.12 0.48 -0.75 4.34 4.19 1xm9A1 ARG 332 HB2 0.01 -0.03 -0.03 -0.04 1.90 1.80 1xm9A1 ARG 332 HB3 0.01 0.04 -0.12 -0.04 1.80 1.69 1xm9A1 ARG 332 HG2 0.01 0.05 -0.25 -0.04 1.67 1.44 1xm9A1 ARG 332 HG3 0.01 -0.01 -0.02 -0.04 1.67 1.60 1xm9A1 ARG 332 HD2 0.01 -0.03 -0.03 -0.04 3.22 3.12 1xm9A1 ARG 332 HD3 0.00 0.01 -0.04 -0.04 3.22 3.15 1xm9A1 GLU 333 H 0.01 0.07 -0.24 -0.55 8.60 7.88 1xm9A1 GLU 333 HA 0.00 0.11 0.57 -0.75 4.29 4.21 1xm9A1 GLU 333 HB2 0.00 -0.03 0.29 -0.04 2.09 2.31 1xm9A1 GLU 333 HB3 0.00 0.05 0.09 -0.04 1.99 2.09 1xm9A1 GLU 333 HG2 0.00 0.07 0.12 -0.04 2.34 2.50 1xm9A1 GLU 333 HG3 0.00 0.11 0.11 -0.04 2.34 2.52 1xm9A1 ALA 334 H 0.01 0.77 0.05 -0.55 8.40 8.68 1xm9A1 ALA 334 HA 0.00 0.10 0.42 -0.75 4.34 4.11 1xm9A1 ALA 334 HB3 0.01 -0.01 0.04 -0.04 1.41 1.40 1xm9A1 VAL 335 H 0.00 0.29 -0.25 -0.55 8.24 7.73 1xm9A1 VAL 335 HA -0.00 -0.02 0.38 -0.75 4.13 3.73 1xm9A1 VAL 335 HB -0.00 -0.03 0.06 -0.04 2.12 2.11 1xm9A1 VAL 335 HG13 0.00 0.02 -0.05 -0.04 0.97 0.90 1xm9A1 VAL 335 HG23 0.00 0.04 -0.02 -0.04 0.95 0.93 1xm9A1 SER 336 H 0.00 0.29 -0.51 -0.55 8.46 7.70 1xm9A1 SER 336 HA 0.01 0.03 0.48 -0.75 4.49 4.25 1xm9A1 SER 336 HB2 0.01 -0.04 0.13 -0.04 3.95 4.00 1xm9A1 SER 336 HB3 0.01 0.01 0.11 -0.04 3.93 4.02 1xm9A1 LEU 337 H 0.00 0.28 -0.69 -0.55 8.37 7.42 1xm9A1 LEU 337 HA 0.00 0.23 0.80 -0.75 4.35 4.63 1xm9A1 LEU 337 HB2 0.00 0.17 0.09 -0.04 1.64 1.86 1xm9A1 LEU 337 HB3 0.00 -0.08 -0.00 -0.04 1.64 1.52 1xm9A1 LEU 337 HG 0.00 0.18 0.01 -0.04 1.64 1.79 1xm9A1 LEU 337 HD13 0.00 -0.05 -0.01 -0.04 0.93 0.83 1xm9A1 LEU 337 HD23 0.00 -0.03 0.03 -0.04 0.89 0.85 1xm9A1 LEU 338 H 0.00 0.26 0.03 -0.55 8.37 8.11 1xm9A1 LEU 338 HA 0.00 -0.01 0.32 -0.75 4.35 3.91 1xm9A1 LEU 338 HB2 -0.00 0.08 0.12 -0.04 1.64 1.80 1xm9A1 LEU 338 HB3 -0.00 0.01 -0.08 -0.04 1.64 1.53 1xm9A1 LEU 338 HG -0.00 0.03 -0.04 -0.04 1.64 1.58 1xm9A1 LEU 338 HD13 -0.02 -0.01 -0.13 -0.04 0.93 0.72 1xm9A1 LEU 338 HD23 -0.00 0.00 -0.02 -0.04 0.89 0.83 1xm9A1 ARG 339 H 0.01 0.30 -0.31 -0.55 8.46 7.90 1xm9A1 ARG 339 HA 0.01 0.01 0.38 -0.75 4.34 4.00 1xm9A1 ARG 339 HB2 0.01 0.07 -0.05 -0.04 1.90 1.89 1xm9A1 ARG 339 HB3 0.01 -0.03 -0.01 -0.04 1.80 1.73 1xm9A1 ARG 339 HG2 0.02 -0.07 0.04 -0.04 1.67 1.62 1xm9A1 ARG 339 HG3 0.01 0.19 0.11 -0.04 1.67 1.94 1xm9A1 ARG 339 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 1xm9A1 ARG 339 HD3 0.02 -0.03 -0.00 -0.04 3.22 3.16 1xm9A1 ARG 340 H 0.01 0.27 -0.60 -0.55 8.46 7.59 1xm9A1 ARG 340 HA 0.01 0.18 0.90 -0.75 4.34 4.68 1xm9A1 ARG 340 HB2 0.01 -0.03 0.22 -0.04 1.90 2.06 1xm9A1 ARG 340 HB3 0.01 -0.02 0.06 -0.04 1.80 1.81 1xm9A1 ARG 340 HG2 0.01 -0.12 -0.18 -0.04 1.67 1.33 1xm9A1 ARG 340 HG3 0.01 0.10 0.07 -0.04 1.67 1.80 1xm9A1 ARG 340 HD2 0.01 -0.04 -0.01 -0.04 3.22 3.14 1xm9A1 ARG 340 HD3 0.01 -0.00 -0.12 -0.04 3.22 3.07 1xm9A1 THR 341 H 0.01 0.40 -0.10 -0.55 8.28 8.05 1xm9A1 THR 341 HA 0.01 0.08 0.77 -0.75 4.39 4.50 1xm9A1 THR 341 HB 0.01 0.05 -0.03 -0.04 4.32 4.32 1xm9A1 THR 341 HG23 0.01 -0.07 -0.00 -0.04 1.22 1.12 1xm9A1 GLY 342 H 0.01 0.02 0.20 -0.55 8.43 8.11 1xm9A1 GLY 342 HA2 0.02 0.29 0.85 -0.51 4.01 4.66 1xm9A1 GLY 342 HA3 0.02 0.04 0.31 -0.51 4.01 3.86 1xm9A1 ASN 343 H 0.02 0.01 0.13 -0.55 8.53 8.14 1xm9A1 ASN 343 HA 0.02 0.12 0.61 -0.75 4.76 4.75 1xm9A1 ASN 343 HB2 0.02 0.10 0.16 -0.04 2.88 3.12 1xm9A1 ASN 343 HB3 0.02 0.03 0.18 -0.04 2.79 2.98 1xm9A1 ASN 343 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 1xm9A1 ASN 343 HD22 0.02 0.07 0.05 -0.04 7.74 7.84 1xm9A1 ALA 344 H 0.02 0.23 0.25 -0.55 8.40 8.35 1xm9A1 ALA 344 HA 0.02 0.15 0.41 -0.75 4.34 4.17 1xm9A1 ALA 344 HB3 0.02 0.03 0.13 -0.04 1.41 1.55 1xm9A1 GLU 345 H 0.02 0.10 -0.05 -0.55 8.60 8.13 1xm9A1 GLU 345 HA 0.02 0.12 0.47 -0.75 4.29 4.14 1xm9A1 GLU 345 HB2 0.02 0.05 0.09 -0.04 2.09 2.20 1xm9A1 GLU 345 HB3 0.03 -0.03 0.07 -0.04 1.99 2.02 1xm9A1 GLU 345 HG2 0.04 0.03 -0.03 -0.04 2.34 2.33 1xm9A1 GLU 345 HG3 0.03 0.00 -0.17 -0.04 2.34 2.16 1xm9A1 ILE 346 H 0.02 0.05 -0.27 -0.55 8.25 7.50 1xm9A1 ILE 346 HA 0.02 0.07 0.36 -0.75 4.18 3.87 1xm9A1 ILE 346 HB 0.01 0.05 0.06 -0.04 1.89 1.97 1xm9A1 ILE 346 HG12 0.02 -0.16 0.02 -0.04 1.49 1.33 1xm9A1 ILE 346 HG13 0.01 0.03 0.04 -0.04 1.21 1.25 1xm9A1 ILE 346 HG23 0.01 0.05 -0.21 -0.04 0.93 0.73 1xm9A1 ILE 346 HD13 0.01 0.06 -0.17 -0.04 0.88 0.74 1xm9A1 GLN 347 H 0.01 0.39 -0.32 -0.55 8.47 8.01 1xm9A1 GLN 347 HA 0.01 0.08 0.41 -0.75 4.36 4.11 1xm9A1 GLN 347 HB2 0.02 0.03 0.11 -0.04 2.15 2.26 1xm9A1 GLN 347 HB3 0.01 -0.03 -0.02 -0.04 2.02 1.93 1xm9A1 GLN 347 HG2 0.01 0.04 -0.06 -0.04 2.40 2.35 1xm9A1 GLN 347 HG3 0.01 0.07 -0.09 -0.04 2.39 2.34 1xm9A1 GLN 347 HE21 0.02 0.06 -0.22 -0.04 6.97 6.79 1xm9A1 GLN 347 HE22 0.02 -0.17 -0.68 -0.04 7.69 6.82 1xm9A1 LYS 348 H 0.02 0.38 -0.24 -0.55 8.42 8.02 1xm9A1 LYS 348 HA 0.02 0.01 0.38 -0.75 4.32 3.98 1xm9A1 LYS 348 HB2 0.02 0.11 0.14 -0.04 1.87 2.09 1xm9A1 LYS 348 HB3 0.03 -0.02 -0.06 -0.04 1.79 1.69 1xm9A1 LYS 348 HG2 0.03 -0.15 -0.04 -0.04 1.46 1.25 1xm9A1 LYS 348 HG3 0.02 0.40 0.09 -0.04 1.46 1.93 1xm9A1 LYS 348 HD2 0.01 0.00 -0.03 -0.04 1.69 1.63 1xm9A1 LYS 348 HD3 0.03 0.01 -0.05 -0.04 1.68 1.62 1xm9A1 LYS 348 HE2 0.02 -0.14 -0.03 -0.04 2.99 2.80 1xm9A1 LYS 348 HE3 0.02 -0.02 -0.11 -0.04 2.99 2.83 1xm9A1 GLN 349 H 0.01 0.52 -0.16 -0.55 8.47 8.30 1xm9A1 GLN 349 HA 0.01 0.05 0.41 -0.75 4.36 4.07 1xm9A1 GLN 349 HB2 0.01 0.09 0.12 -0.04 2.15 2.32 1xm9A1 GLN 349 HB3 0.01 -0.00 -0.24 -0.04 2.02 1.74 1xm9A1 GLN 349 HG2 0.01 0.22 0.06 -0.04 2.40 2.65 1xm9A1 GLN 349 HG3 0.02 -0.04 -0.02 -0.04 2.39 2.31 1xm9A1 GLN 349 HE21 -0.04 0.02 -0.07 -0.04 6.97 6.84 1xm9A1 GLN 349 HE22 -0.00 -0.03 -0.04 -0.04 7.69 7.57 1xm9A1 LEU 350 H 0.01 0.59 -0.05 -0.55 8.37 8.38 1xm9A1 LEU 350 HA 0.01 0.05 0.38 -0.75 4.35 4.04 1xm9A1 LEU 350 HB2 0.00 0.05 0.09 -0.04 1.64 1.74 1xm9A1 LEU 350 HB3 0.00 -0.03 -0.05 -0.04 1.64 1.52 1xm9A1 LEU 350 HG 0.01 -0.02 0.09 -0.04 1.64 1.67 1xm9A1 LEU 350 HD13 0.00 0.00 -0.16 -0.04 0.93 0.74 1xm9A1 LEU 350 HD23 0.00 0.03 0.07 -0.04 0.89 0.95 1xm9A1 THR 351 H 0.00 0.41 -0.39 -0.55 8.28 7.75 1xm9A1 THR 351 HA -0.02 0.02 0.37 -0.75 4.39 4.00 1xm9A1 THR 351 HB -0.03 0.17 0.12 -0.04 4.32 4.54 1xm9A1 THR 351 HG23 0.00 -0.02 0.03 -0.04 1.22 1.19 1xm9A1 GLY 352 H 0.04 0.43 -0.29 -0.55 8.43 8.07 1xm9A1 GLY 352 HA2 0.22 -0.01 0.44 -0.51 4.01 4.16 1xm9A1 GLY 352 HA3 0.07 0.07 0.30 -0.51 4.01 3.94 1xm9A1 LEU 353 H 0.04 0.58 -0.22 -0.55 8.37 8.22 1xm9A1 LEU 353 HA 0.03 0.03 0.41 -0.75 4.35 4.07 1xm9A1 LEU 353 HB2 0.02 0.16 0.14 -0.04 1.64 1.93 1xm9A1 LEU 353 HB3 0.03 0.08 0.19 -0.04 1.64 1.90 1xm9A1 LEU 353 HG 0.02 0.00 -0.16 -0.04 1.64 1.47 1xm9A1 LEU 353 HD13 0.02 -0.00 -0.05 -0.04 0.93 0.85 1xm9A1 LEU 353 HD23 0.03 -0.03 -0.24 -0.04 0.89 0.62 1xm9A1 LEU 354 H 0.04 0.65 -0.04 -0.55 8.37 8.47 1xm9A1 LEU 354 HA 0.04 -0.05 0.29 -0.75 4.35 3.88 1xm9A1 LEU 354 HB2 0.01 0.13 0.05 -0.04 1.64 1.80 1xm9A1 LEU 354 HB3 0.00 -0.08 -0.01 -0.04 1.64 1.51 1xm9A1 LEU 354 HG 0.01 0.33 0.11 -0.04 1.64 2.05 1xm9A1 LEU 354 HD13 -0.02 -0.03 -0.12 -0.04 0.93 0.72 1xm9A1 LEU 354 HD23 0.01 -0.04 -0.01 -0.04 0.89 0.81 1xm9A1 TRP 355 H 0.21 0.37 -0.57 -0.55 7.97 7.43 1xm9A1 TRP 355 HA -0.08 -0.05 0.34 -0.75 4.62 4.08 1xm9A1 TRP 355 HB2 -0.13 0.12 0.13 -0.04 3.23 3.32 1xm9A1 TRP 355 HB3 -0.09 0.18 0.12 -0.04 3.23 3.40 1xm9A1 TRP 355 HD1 -0.08 -0.04 -0.10 -0.04 7.22 6.96 1xm9A1 TRP 355 HE1 -0.10 0.05 -0.13 -0.04 10.20 9.98 1xm9A1 TRP 355 HE3 -0.21 -0.00 0.02 -0.04 7.59 7.35 1xm9A1 TRP 355 HZ2 -0.17 -0.00 -0.04 -0.04 7.44 7.19 1xm9A1 TRP 355 HZ3 -0.59 -0.04 -0.11 -0.04 7.13 6.35 1xm9A1 TRP 355 HH2 -0.48 -0.02 -0.06 -0.04 7.19 6.59 1xm9A1 ASN 356 H 0.10 0.56 -0.07 -0.55 8.53 8.57 1xm9A1 ASN 356 HA -0.08 -0.04 0.36 -0.75 4.76 4.25 1xm9A1 ASN 356 HB2 0.05 0.21 0.18 -0.04 2.88 3.28 1xm9A1 ASN 356 HB3 0.07 -0.13 -0.06 -0.04 2.79 2.62 1xm9A1 ASN 356 HD21 -0.12 -0.09 -0.02 -0.04 7.03 6.77 1xm9A1 ASN 356 HD22 0.02 0.08 0.13 -0.04 7.74 7.93 1xm9A1 LEU 357 H 0.07 0.44 -0.25 -0.55 8.37 8.08 1xm9A1 LEU 357 HA 0.03 -0.03 0.35 -0.75 4.35 3.95 1xm9A1 LEU 357 HB2 0.04 0.14 0.04 -0.04 1.64 1.83 1xm9A1 LEU 357 HB3 0.03 -0.09 -0.01 -0.04 1.64 1.52 1xm9A1 LEU 357 HG 0.05 0.24 -0.09 -0.04 1.64 1.80 1xm9A1 LEU 357 HD13 0.03 -0.04 -0.13 -0.04 0.93 0.75 1xm9A1 LEU 357 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.78 1xm9A1 SER 358 H 0.10 0.53 -0.22 -0.55 8.46 8.32 1xm9A1 SER 358 HA 0.04 -0.04 0.24 -0.75 4.49 3.97 1xm9A1 SER 358 HB2 0.08 -0.07 0.02 -0.04 3.95 3.93 1xm9A1 SER 358 HB3 0.04 -0.11 0.07 -0.04 3.93 3.89 1xm9A1 SER 359 H 0.05 0.40 -0.52 -0.55 8.46 7.85 1xm9A1 SER 359 HA 0.04 0.11 0.56 -0.75 4.49 4.44 1xm9A1 SER 359 HB2 -0.01 -0.08 0.09 -0.04 3.95 3.92 1xm9A1 SER 359 HB3 0.01 0.03 0.04 -0.04 3.93 3.97 1xm9A1 THR 360 H 0.02 0.55 -0.22 -0.55 8.28 8.08 1xm9A1 THR 360 HA -0.01 -0.00 0.55 -0.75 4.39 4.18 1xm9A1 THR 360 HB 0.01 0.08 0.16 -0.04 4.32 4.53 1xm9A1 THR 360 HG23 0.01 0.07 0.16 -0.04 1.22 1.42 1xm9A1 ASP 361 H -0.01 0.32 0.23 -0.55 8.40 8.39 1xm9A1 ASP 361 HA -0.00 0.13 0.13 -0.75 4.63 4.14 1xm9A1 ASP 361 HB2 -0.01 0.08 0.16 -0.04 2.71 2.90 1xm9A1 ASP 361 HB3 -0.01 -0.08 0.07 -0.04 2.70 2.65 1xm9A1 GLU 362 H 0.00 0.01 -0.47 -0.55 8.60 7.59 1xm9A1 GLU 362 HA 0.00 0.29 1.19 -0.75 4.29 5.01 1xm9A1 GLU 362 HB2 0.00 0.00 0.02 -0.04 2.09 2.08 1xm9A1 GLU 362 HB3 -0.00 0.04 0.01 -0.04 1.99 1.99 1xm9A1 GLU 362 HG2 -0.00 0.02 0.02 -0.04 2.34 2.34 1xm9A1 GLU 362 HG3 0.00 -0.03 0.09 -0.04 2.34 2.35 1xm9A1 LEU 363 H 0.01 0.16 0.11 -0.55 8.37 8.11 1xm9A1 LEU 363 HA 0.01 0.07 0.40 -0.75 4.35 4.07 1xm9A1 LEU 363 HB2 0.01 -0.06 0.19 -0.04 1.64 1.74 1xm9A1 LEU 363 HB3 0.01 0.00 0.13 -0.04 1.64 1.75 1xm9A1 LEU 363 HG 0.01 0.02 0.07 -0.04 1.64 1.70 1xm9A1 LEU 363 HD13 0.02 0.02 -0.27 -0.04 0.93 0.66 1xm9A1 LEU 363 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 1xm9A1 LYS 364 H 0.00 0.37 -0.86 -0.55 8.42 7.37 1xm9A1 LYS 364 HA 0.01 0.08 0.33 -0.75 4.32 3.99 1xm9A1 LYS 364 HB2 0.00 -0.00 0.05 -0.04 1.87 1.88 1xm9A1 LYS 364 HB3 -0.00 -0.07 -0.01 -0.04 1.79 1.67 1xm9A1 LYS 364 HG2 0.01 0.10 -0.12 -0.04 1.46 1.40 1xm9A1 LYS 364 HG3 0.00 0.05 -0.31 -0.04 1.46 1.16 1xm9A1 LYS 364 HD2 -0.00 -0.03 0.02 -0.04 1.69 1.63 1xm9A1 LYS 364 HD3 -0.00 -0.05 -0.00 -0.04 1.68 1.58 1xm9A1 LYS 364 HE2 0.00 0.18 -0.07 -0.04 2.99 3.07 1xm9A1 LYS 364 HE3 -0.00 -0.09 -0.09 -0.04 2.99 2.77 1xm9A1 GLU 365 H 0.00 0.34 -0.05 -0.55 8.60 8.35 1xm9A1 GLU 365 HA 0.00 0.01 0.36 -0.75 4.29 3.91 1xm9A1 GLU 365 HB2 0.01 0.00 0.05 -0.04 2.09 2.11 1xm9A1 GLU 365 HB3 0.01 0.04 0.01 -0.04 1.99 2.00 1xm9A1 GLU 365 HG2 0.00 0.05 0.17 -0.04 2.34 2.52 1xm9A1 GLU 365 HG3 0.01 0.06 0.08 -0.04 2.34 2.44 1xm9A1 GLU 366 H 0.01 0.27 -0.32 -0.55 8.60 8.01 1xm9A1 GLU 366 HA 0.01 0.12 0.51 -0.75 4.29 4.17 1xm9A1 GLU 366 HB2 0.01 -0.00 0.06 -0.04 2.09 2.11 1xm9A1 GLU 366 HB3 0.01 0.09 0.00 -0.04 1.99 2.05 1xm9A1 GLU 366 HG2 0.01 -0.03 -0.03 -0.04 2.34 2.25 1xm9A1 GLU 366 HG3 0.01 -0.03 0.06 -0.04 2.34 2.33 1xm9A1 LEU 367 H 0.00 0.53 -0.23 -0.55 8.37 8.13 1xm9A1 LEU 367 HA -0.01 0.04 0.60 -0.75 4.35 4.22 1xm9A1 LEU 367 HB2 -0.01 0.29 0.27 -0.04 1.64 2.15 1xm9A1 LEU 367 HB3 -0.02 -0.06 -0.00 -0.04 1.64 1.52 1xm9A1 LEU 367 HG 0.01 0.03 -0.00 -0.04 1.64 1.63 1xm9A1 LEU 367 HD13 0.02 -0.01 -0.14 -0.04 0.93 0.75 1xm9A1 LEU 367 HD23 0.00 -0.01 0.00 -0.04 0.89 0.84 1xm9A1 ILE 368 H -0.01 0.47 0.02 -0.55 8.25 8.18 1xm9A1 ILE 368 HA -0.04 -0.01 0.47 -0.75 4.18 3.84 1xm9A1 ILE 368 HB -0.01 0.03 0.01 -0.04 1.89 1.87 1xm9A1 ILE 368 HG12 -0.00 0.01 0.09 -0.04 1.49 1.55 1xm9A1 ILE 368 HG13 0.01 0.13 -0.20 -0.04 1.21 1.11 1xm9A1 ILE 368 HG23 -0.02 0.01 -0.01 -0.04 0.93 0.87 1xm9A1 ILE 368 HD13 0.01 -0.02 -0.10 -0.04 0.88 0.72 1xm9A1 ALA 369 H 0.00 0.20 -0.42 -0.55 8.40 7.63 1xm9A1 ALA 369 HA 0.02 0.09 0.44 -0.75 4.34 4.14 1xm9A1 ALA 369 HB3 0.01 -0.00 0.09 -0.04 1.41 1.47 1xm9A1 ASP 370 H 0.00 0.39 -0.11 -0.55 8.40 8.13 1xm9A1 ASP 370 HA 0.01 0.24 0.99 -0.75 4.63 5.11 1xm9A1 ASP 370 HB2 0.00 0.09 0.09 -0.04 2.71 2.85 1xm9A1 ASP 370 HB3 0.01 -0.01 0.03 -0.04 2.70 2.68 1xm9A1 ALA 371 H -0.02 0.27 0.15 -0.55 8.40 8.26 1xm9A1 ALA 371 HA -0.02 0.07 0.65 -0.75 4.34 4.29 1xm9A1 ALA 371 HB3 -0.03 0.01 0.14 -0.04 1.41 1.48 1xm9A1 LEU 372 H -0.06 0.55 0.14 -0.55 8.37 8.45 1xm9A1 LEU 372 HA -0.15 -0.08 0.28 -0.75 4.35 3.66 1xm9A1 LEU 372 HB2 -0.10 -0.11 0.12 -0.04 1.64 1.51 1xm9A1 LEU 372 HB3 -0.08 0.34 0.11 -0.04 1.64 1.96 1xm9A1 LEU 372 HG -0.32 0.06 -0.19 -0.04 1.64 1.15 1xm9A1 LEU 372 HD13 -0.36 -0.05 -0.09 -0.04 0.93 0.39 1xm9A1 LEU 372 HD23 -0.08 0.01 -0.05 -0.04 0.89 0.72 1xm9A1 PRO 373 HA -0.21 0.00 0.39 -0.51 4.44 4.12 1xm9A1 PRO 373 HB2 0.04 0.03 0.04 -0.04 2.28 2.35 1xm9A1 PRO 373 HB3 0.17 0.02 0.02 -0.04 2.02 2.18 1xm9A1 PRO 373 HG2 0.07 0.17 -0.04 -0.04 2.03 2.19 1xm9A1 PRO 373 HG3 0.15 0.00 -0.01 -0.04 2.03 2.13 1xm9A1 PRO 373 HD2 -0.02 0.15 -0.81 -0.04 3.68 2.96 1xm9A1 PRO 373 HD3 -0.04 0.20 -0.18 -0.04 3.65 3.60 1xm9A1 VAL 374 H -0.02 0.35 -0.04 -0.55 8.24 7.99 1xm9A1 VAL 374 HA 0.01 0.01 0.39 -0.75 4.13 3.79 1xm9A1 VAL 374 HB -0.01 -0.05 -0.01 -0.04 2.12 2.01 1xm9A1 VAL 374 HG13 0.01 0.04 0.08 -0.04 0.97 1.05 1xm9A1 VAL 374 HG23 -0.03 0.02 0.11 -0.04 0.95 1.02 1xm9A1 LEU 375 H -0.08 0.44 -0.39 -0.55 8.37 7.79 1xm9A1 LEU 375 HA -0.08 0.01 0.41 -0.75 4.35 3.94 1xm9A1 LEU 375 HB2 -0.16 0.17 0.05 -0.04 1.64 1.67 1xm9A1 LEU 375 HB3 -0.17 -0.11 -0.04 -0.04 1.64 1.28 1xm9A1 LEU 375 HG -0.09 0.17 -0.15 -0.04 1.64 1.53 1xm9A1 LEU 375 HD13 -0.14 -0.02 -0.12 -0.04 0.93 0.62 1xm9A1 LEU 375 HD23 -0.09 -0.02 -0.09 -0.04 0.89 0.65 1xm9A1 ALA 376 H -0.19 0.78 0.09 -0.55 8.40 8.54 1xm9A1 ALA 376 HA -0.12 -0.09 0.40 -0.75 4.34 3.78 1xm9A1 ALA 376 HB3 -0.37 0.01 0.06 -0.04 1.41 1.07 1xm9A1 ASP 377 H 0.00 0.61 -0.25 -0.55 8.40 8.20 1xm9A1 ASP 377 HA 0.11 0.06 0.53 -0.75 4.63 4.58 1xm9A1 ASP 377 HB2 0.06 -0.05 0.16 -0.04 2.71 2.83 1xm9A1 ASP 377 HB3 0.08 -0.00 -0.03 -0.04 2.70 2.71 1xm9A1 ARG 378 H 0.03 0.34 0.12 -0.55 8.46 8.40 1xm9A1 ARG 378 HA 0.05 0.08 0.40 -0.75 4.34 4.11 1xm9A1 ARG 378 HB2 0.01 0.08 0.08 -0.04 1.90 2.03 1xm9A1 ARG 378 HB3 0.03 -0.01 0.06 -0.04 1.80 1.83 1xm9A1 ARG 378 HG2 0.03 -0.03 0.03 -0.04 1.67 1.66 1xm9A1 ARG 378 HG3 0.03 -0.06 0.08 -0.04 1.67 1.68 1xm9A1 ARG 378 HD2 0.02 0.03 0.08 -0.04 3.22 3.31 1xm9A1 ARG 378 HD3 0.02 0.05 -0.10 -0.04 3.22 3.15 1xm9A1 VAL 379 H 0.01 0.23 -0.42 -0.55 8.24 7.51 1xm9A1 VAL 379 HA 0.07 0.24 1.01 -0.75 4.13 4.70 1xm9A1 VAL 379 HB -0.08 -0.02 0.12 -0.04 2.12 2.09 1xm9A1 VAL 379 HG13 -0.05 -0.01 -0.33 -0.04 0.97 0.54 1xm9A1 VAL 379 HG23 -0.03 0.01 -0.20 -0.04 0.95 0.70 1xm9A1 ILE 380 H -0.05 0.55 0.09 -0.55 8.25 8.29 1xm9A1 ILE 380 HA 0.23 -0.04 0.26 -0.75 4.18 3.88 1xm9A1 ILE 380 HB -0.07 0.09 0.17 -0.04 1.89 2.04 1xm9A1 ILE 380 HG12 -0.69 -0.03 -0.04 -0.04 1.49 0.68 1xm9A1 ILE 380 HG13 -0.30 0.01 -0.07 -0.04 1.21 0.81 1xm9A1 ILE 380 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.79 1xm9A1 ILE 380 HD13 -0.32 -0.02 -0.17 -0.04 0.88 0.32 1xm9A1 ILE 381 H 0.11 0.70 0.09 -0.55 8.25 8.60 1xm9A1 ILE 381 HA 0.21 -0.12 0.35 -0.75 4.18 3.87 1xm9A1 ILE 381 HB 0.15 0.22 0.21 -0.04 1.89 2.43 1xm9A1 ILE 381 HG12 0.21 -0.10 0.02 -0.04 1.49 1.58 1xm9A1 ILE 381 HG13 0.13 0.41 0.24 -0.04 1.21 1.95 1xm9A1 ILE 381 HG23 0.25 -0.05 -0.12 -0.04 0.93 0.97 1xm9A1 ILE 381 HD13 0.24 -0.04 -0.07 -0.04 0.88 0.96 1xm9A1 PRO 382 HA 0.09 -0.09 0.15 -0.51 4.44 4.09 1xm9A1 PRO 382 HB2 0.10 0.13 -0.02 -0.04 2.28 2.45 1xm9A1 PRO 382 HB3 0.07 -0.05 0.27 -0.04 2.02 2.26 1xm9A1 PRO 382 HG2 0.08 0.07 -0.03 -0.04 2.03 2.11 1xm9A1 PRO 382 HG3 0.09 -0.10 0.06 -0.04 2.03 2.04 1xm9A1 PRO 382 HD2 0.14 0.24 -0.70 -0.04 3.68 3.32 1xm9A1 PRO 382 HD3 0.12 0.18 0.03 -0.04 3.65 3.94 1xm9A1 PHE 383 H 0.27 0.37 -0.76 -0.55 8.34 7.67 1xm9A1 PHE 383 HA -0.02 0.32 0.89 -0.75 4.62 5.06 1xm9A1 PHE 383 HB2 0.12 0.15 -0.04 -0.04 3.15 3.34 1xm9A1 PHE 383 HB3 -0.02 0.01 0.08 -0.04 3.06 3.09 1xm9A1 PHE 383 HD2 -0.83 0.11 -0.11 -0.04 7.28 6.41 1xm9A1 PHE 383 HE2 -0.43 -0.03 -0.10 -0.04 7.38 6.78 1xm9A1 PHE 383 HZ -0.16 -0.10 -0.01 -0.04 7.32 7.01 1xm9A1 SER 384 H 0.19 0.31 0.17 -0.55 8.46 8.58 1xm9A1 SER 384 HA -0.04 0.06 0.50 -0.75 4.49 4.26 1xm9A1 SER 384 HB2 0.13 -0.08 0.10 -0.04 3.95 4.06 1xm9A1 SER 384 HB3 0.19 -0.02 0.07 -0.04 3.93 4.13 1xm9A1 GLY 385 H 0.09 0.27 -0.15 -0.55 8.43 8.09 1xm9A1 GLY 385 HA2 0.03 0.02 0.14 -0.51 4.01 3.69 1xm9A1 GLY 385 HA3 0.00 0.14 0.39 -0.51 4.01 4.03 1xm9A1 TRP 386 H 0.29 0.22 -0.02 -0.55 7.97 7.91 1xm9A1 TRP 386 HA -0.01 0.16 0.39 -0.75 4.62 4.41 1xm9A1 TRP 386 HB2 -0.00 -0.03 -0.01 -0.04 3.23 3.16 1xm9A1 TRP 386 HB3 0.03 0.02 0.08 -0.04 3.23 3.32 1xm9A1 TRP 386 HD1 0.05 0.03 -0.01 -0.04 7.22 7.26 1xm9A1 TRP 386 HE1 0.08 -0.09 0.04 -0.04 10.20 10.18 1xm9A1 TRP 386 HE3 -0.03 0.03 -0.01 -0.04 7.59 7.54 1xm9A1 TRP 386 HZ2 0.16 -0.07 0.04 -0.04 7.44 7.53 1xm9A1 TRP 386 HZ3 0.05 0.02 -0.01 -0.04 7.13 7.14 1xm9A1 TRP 386 HH2 0.26 0.04 0.00 -0.04 7.19 7.45 1xm9A1 CYS 387 H -0.05 0.01 -0.79 -0.55 8.50 7.12 1xm9A1 CYS 387 HA -0.24 0.03 0.08 -0.75 4.58 3.70 1xm9A1 CYS 387 HB2 -0.11 0.08 -0.03 -0.04 2.97 2.87 1xm9A1 CYS 387 HB3 -0.12 0.01 0.02 -0.04 2.97 2.83 1xm9A1 VAL 397 HA 0.03 0.01 0.25 -0.75 4.13 3.68 1xm9A1 VAL 397 HB 0.05 -0.19 0.06 -0.04 2.12 1.99 1xm9A1 VAL 397 HG13 0.05 0.04 -0.18 -0.04 0.97 0.83 1xm9A1 VAL 397 HG23 0.02 -0.01 0.04 -0.04 0.95 0.96 1xm9A1 VAL 398 H 0.07 0.01 0.03 -0.55 8.24 7.81 1xm9A1 VAL 398 HA 0.09 -0.11 0.39 -0.75 4.13 3.74 1xm9A1 VAL 398 HB 0.33 0.44 0.44 -0.04 2.12 3.29 1xm9A1 VAL 398 HG13 0.11 -0.04 -0.19 -0.04 0.97 0.81 1xm9A1 VAL 398 HG23 0.12 0.02 -0.17 -0.04 0.95 0.88 1xm9A1 ASP 399 H 0.06 0.06 0.13 -0.55 8.40 8.10 1xm9A1 ASP 399 HA 0.11 0.27 0.55 -0.75 4.63 4.80 1xm9A1 ASP 399 HB2 0.04 0.07 0.13 -0.04 2.71 2.91 1xm9A1 ASP 399 HB3 0.03 -0.12 0.17 -0.04 2.70 2.74 1xm9A1 PRO 400 HA -0.18 0.13 0.35 -0.51 4.44 4.23 1xm9A1 PRO 400 HB2 0.04 -0.02 0.03 -0.04 2.28 2.29 1xm9A1 PRO 400 HB3 0.11 0.02 0.09 -0.04 2.02 2.20 1xm9A1 PRO 400 HG2 0.10 0.06 0.09 -0.04 2.03 2.23 1xm9A1 PRO 400 HG3 0.27 0.16 0.11 -0.04 2.03 2.52 1xm9A1 PRO 400 HD2 0.07 0.03 0.21 -0.04 3.68 3.95 1xm9A1 PRO 400 HD3 0.15 0.31 0.27 -0.04 3.65 4.34 1xm9A1 GLU 401 H 0.02 0.06 -0.49 -0.55 8.60 7.65 1xm9A1 GLU 401 HA 0.10 0.14 0.56 -0.75 4.29 4.33 1xm9A1 GLU 401 HB2 0.02 0.02 0.02 -0.04 2.09 2.12 1xm9A1 GLU 401 HB3 0.05 0.00 -0.02 -0.04 1.99 1.98 1xm9A1 GLU 401 HG2 0.06 0.03 -0.04 -0.04 2.34 2.35 1xm9A1 GLU 401 HG3 0.18 -0.02 -0.02 -0.04 2.34 2.43 1xm9A1 VAL 402 H 0.01 0.22 -0.08 -0.55 8.24 7.84 1xm9A1 VAL 402 HA -0.01 0.07 0.34 -0.75 4.13 3.78 1xm9A1 VAL 402 HB -0.02 0.13 0.03 -0.04 2.12 2.22 1xm9A1 VAL 402 HG13 -0.03 0.04 -0.16 -0.04 0.97 0.78 1xm9A1 VAL 402 HG23 0.02 -0.03 0.01 -0.04 0.95 0.90 1xm9A1 PHE 403 H -0.11 0.43 -0.30 -0.55 8.34 7.81 1xm9A1 PHE 403 HA -0.32 0.03 0.28 -0.75 4.62 3.84 1xm9A1 PHE 403 HB2 -1.05 0.13 -0.12 -0.04 3.15 2.07 1xm9A1 PHE 403 HB3 -0.97 0.07 -0.06 -0.04 3.06 2.06 1xm9A1 PHE 403 HD2 -0.39 0.08 -0.27 -0.04 7.28 6.67 1xm9A1 PHE 403 HE2 -0.40 0.02 -0.08 -0.04 7.38 6.88 1xm9A1 PHE 403 HZ -0.30 -0.01 -0.09 -0.04 7.32 6.88 1xm9A1 PHE 404 H 0.08 0.23 -0.52 -0.55 8.34 7.58 1xm9A1 PHE 404 HA -0.17 -0.02 0.31 -0.75 4.62 3.99 1xm9A1 PHE 404 HB2 -0.03 0.09 0.14 -0.04 3.15 3.31 1xm9A1 PHE 404 HB3 -0.04 0.22 0.23 -0.04 3.06 3.43 1xm9A1 PHE 404 HD2 0.06 -0.03 -0.10 -0.04 7.28 7.17 1xm9A1 PHE 404 HE2 0.18 0.02 -0.03 -0.04 7.38 7.51 1xm9A1 PHE 404 HZ 0.26 -0.00 -0.04 -0.04 7.32 7.49 1xm9A1 ASN 405 H -0.05 0.61 -0.06 -0.55 8.53 8.49 1xm9A1 ASN 405 HA -0.72 0.03 0.37 -0.75 4.76 3.68 1xm9A1 ASN 405 HB2 -0.06 0.07 -0.00 -0.04 2.88 2.85 1xm9A1 ASN 405 HB3 0.04 0.09 -0.40 -0.04 2.79 2.47 1xm9A1 ASN 405 HD21 0.38 -0.01 -0.03 -0.04 7.03 7.32 1xm9A1 ASN 405 HD22 0.48 -0.03 -0.05 -0.04 7.74 8.10 1xm9A1 ALA 406 H -0.34 0.57 -0.26 -0.55 8.40 7.83 1xm9A1 ALA 406 HA -0.32 0.03 0.38 -0.75 4.34 3.67 1xm9A1 ALA 406 HB3 -0.34 0.02 0.04 -0.04 1.41 1.09 1xm9A1 THR 407 H -0.70 0.71 -0.11 -0.55 8.28 7.63 1xm9A1 THR 407 HA -0.50 -0.02 0.34 -0.75 4.39 3.46 1xm9A1 THR 407 HB -0.41 -0.12 -0.04 -0.04 4.32 3.71 1xm9A1 THR 407 HG23 -1.16 0.03 0.01 -0.04 1.22 0.05 1xm9A1 GLY 408 H -1.09 0.36 -0.59 -0.55 8.43 6.56 1xm9A1 GLY 408 HA2 -0.93 -0.01 0.43 -0.51 4.01 2.99 1xm9A1 GLY 408 HA3 -3.05 0.07 0.27 -0.51 4.01 0.79 1xm9A1 CYS 409 H -0.89 0.58 -0.09 -0.55 8.50 7.55 1xm9A1 CYS 409 HA -0.16 0.04 0.40 -0.75 4.58 4.10 1xm9A1 CYS 409 HB2 -0.22 0.06 0.06 -0.04 2.97 2.84 1xm9A1 CYS 409 HB3 -0.30 0.22 0.23 -0.04 2.97 3.08 1xm9A1 LEU 410 H -0.34 0.67 -0.04 -0.55 8.37 8.11 1xm9A1 LEU 410 HA -0.14 -0.04 0.36 -0.75 4.35 3.77 1xm9A1 LEU 410 HB2 -0.25 0.09 0.02 -0.04 1.64 1.46 1xm9A1 LEU 410 HB3 -0.16 -0.04 0.01 -0.04 1.64 1.42 1xm9A1 LEU 410 HG -0.25 0.12 -0.05 -0.04 1.64 1.42 1xm9A1 LEU 410 HD13 -0.21 -0.01 -0.08 -0.04 0.93 0.60 1xm9A1 LEU 410 HD23 -0.16 -0.01 -0.04 -0.04 0.89 0.63 1xm9A1 ARG 411 H -0.27 0.35 -0.78 -0.55 8.46 7.21 1xm9A1 ARG 411 HA -0.10 -0.01 0.32 -0.75 4.34 3.80 1xm9A1 ARG 411 HB2 -0.17 0.03 0.11 -0.04 1.90 1.83 1xm9A1 ARG 411 HB3 -0.14 0.33 0.12 -0.04 1.80 2.08 1xm9A1 ARG 411 HG2 0.01 0.01 -0.27 -0.04 1.67 1.39 1xm9A1 ARG 411 HG3 -0.03 -0.05 0.00 -0.04 1.67 1.55 1xm9A1 ARG 411 HD2 -0.02 -0.05 0.03 -0.04 3.22 3.13 1xm9A1 ARG 411 HD3 0.03 0.01 -0.02 -0.04 3.22 3.19 1xm9A1 ASN 412 H -0.06 0.43 -0.30 -0.55 8.53 8.06 1xm9A1 ASN 412 HA 0.01 0.11 0.65 -0.75 4.76 4.78 1xm9A1 ASN 412 HB2 0.07 0.13 0.11 -0.04 2.88 3.14 1xm9A1 ASN 412 HB3 0.05 0.18 -0.11 -0.04 2.79 2.87 1xm9A1 ASN 412 HD21 0.19 -0.08 -0.13 -0.04 7.03 6.98 1xm9A1 ASN 412 HD22 0.27 0.04 -0.22 -0.04 7.74 7.79 1xm9A1 LEU 413 H -0.05 0.32 -0.06 -0.55 8.37 8.03 1xm9A1 LEU 413 HA -0.02 0.03 0.48 -0.75 4.35 4.08 1xm9A1 LEU 413 HB2 -0.07 0.09 0.10 -0.04 1.64 1.72 1xm9A1 LEU 413 HB3 -0.04 -0.10 0.02 -0.04 1.64 1.48 1xm9A1 LEU 413 HG -0.06 0.31 -0.03 -0.04 1.64 1.81 1xm9A1 LEU 413 HD13 -0.07 -0.03 -0.15 -0.04 0.93 0.64 1xm9A1 LEU 413 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.78 1xm9A1 SER 414 H -0.06 0.75 -0.13 -0.55 8.46 8.48 1xm9A1 SER 414 HA -0.02 -0.05 0.15 -0.75 4.49 3.82 1xm9A1 SER 414 HB2 -0.02 -0.00 0.08 -0.04 3.95 3.96 1xm9A1 SER 414 HB3 -0.05 0.02 0.09 -0.04 3.93 3.95 1xm9A1 SER 415 H -0.03 0.10 -1.48 -0.55 8.46 6.50 1xm9A1 SER 415 HA -0.06 0.14 0.60 -0.75 4.49 4.42 1xm9A1 SER 415 HB2 -0.03 0.03 0.02 -0.04 3.95 3.92 1xm9A1 SER 415 HB3 -0.03 0.12 0.08 -0.04 3.93 4.07 1xm9A1 ALA 416 H -0.01 0.35 0.05 -0.55 8.40 8.23 1xm9A1 ALA 416 HA -0.01 0.21 0.84 -0.75 4.34 4.63 1xm9A1 ALA 416 HB3 -0.00 -0.03 0.13 -0.04 1.41 1.47 1xm9A1 ASP 417 H 0.02 0.16 0.16 -0.55 8.40 8.19 1xm9A1 ASP 417 HA 0.05 0.17 0.32 -0.75 4.63 4.42 1xm9A1 ASP 417 HB2 0.02 -0.07 0.12 -0.04 2.71 2.74 1xm9A1 ASP 417 HB3 0.03 0.06 0.03 -0.04 2.70 2.78 1xm9A1 ALA 418 H 0.02 0.02 -0.23 -0.55 8.40 7.66 1xm9A1 ALA 418 HA 0.02 0.15 0.44 -0.75 4.34 4.20 1xm9A1 ALA 418 HB3 0.01 -0.00 0.03 -0.04 1.41 1.41 1xm9A1 GLY 419 H 0.01 0.07 -0.07 -0.55 8.43 7.89 1xm9A1 GLY 419 HA2 0.00 -0.03 0.30 -0.51 4.01 3.77 1xm9A1 GLY 419 HA3 -0.01 0.20 0.21 -0.51 4.01 3.91 1xm9A1 ARG 420 H 0.02 0.53 -0.39 -0.55 8.46 8.07 1xm9A1 ARG 420 HA 0.02 -0.02 0.34 -0.75 4.34 3.93 1xm9A1 ARG 420 HB2 0.04 0.18 -0.04 -0.04 1.90 2.03 1xm9A1 ARG 420 HB3 0.05 0.06 0.01 -0.04 1.80 1.87 1xm9A1 ARG 420 HG2 0.05 -0.02 -0.21 -0.04 1.67 1.44 1xm9A1 ARG 420 HG3 0.06 -0.10 -0.04 -0.04 1.67 1.55 1xm9A1 ARG 420 HD2 0.09 0.14 -0.03 -0.04 3.22 3.38 1xm9A1 ARG 420 HD3 0.13 0.34 0.11 -0.04 3.22 3.75 1xm9A1 GLN 421 H 0.03 0.41 -0.18 -0.55 8.47 8.19 1xm9A1 GLN 421 HA 0.04 0.06 0.49 -0.75 4.36 4.20 1xm9A1 GLN 421 HB2 0.03 0.02 0.10 -0.04 2.15 2.27 1xm9A1 GLN 421 HB3 0.03 -0.06 0.13 -0.04 2.02 2.07 1xm9A1 GLN 421 HG2 0.03 -0.02 -0.00 -0.04 2.40 2.36 1xm9A1 GLN 421 HG3 0.03 0.41 0.17 -0.04 2.39 2.96 1xm9A1 GLN 421 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 1xm9A1 GLN 421 HE22 0.02 0.01 -0.00 -0.04 7.69 7.69 1xm9A1 THR 422 H 0.03 0.39 -0.44 -0.55 8.28 7.71 1xm9A1 THR 422 HA 0.06 0.16 0.75 -0.75 4.39 4.61 1xm9A1 THR 422 HB 0.03 0.03 0.06 -0.04 4.32 4.39 1xm9A1 THR 422 HG23 0.09 -0.01 -0.10 -0.04 1.22 1.15 1xm9A1 MET 423 H 0.04 0.60 0.09 -0.55 8.47 8.64 1xm9A1 MET 423 HA 0.09 0.04 0.62 -0.75 4.52 4.51 1xm9A1 MET 423 HB2 0.02 0.17 0.13 -0.04 2.15 2.43 1xm9A1 MET 423 HB3 0.01 -0.10 0.02 -0.04 2.03 1.92 1xm9A1 MET 423 HG2 -0.07 -0.06 0.01 -0.04 2.63 2.47 1xm9A1 MET 423 HG3 -0.02 0.18 0.06 -0.04 2.56 2.75 1xm9A1 MET 423 HE3 -0.05 0.04 -0.16 -0.04 2.10 1.89 1xm9A1 ARG 424 H 0.06 0.53 -0.02 -0.55 8.46 8.48 1xm9A1 ARG 424 HA 0.09 -0.05 0.35 -0.75 4.34 3.97 1xm9A1 ARG 424 HB2 0.06 0.08 0.07 -0.04 1.90 2.07 1xm9A1 ARG 424 HB3 0.07 -0.06 0.08 -0.04 1.80 1.85 1xm9A1 ARG 424 HG2 0.08 -0.12 0.12 -0.04 1.67 1.70 1xm9A1 ARG 424 HG3 0.06 0.26 0.16 -0.04 1.67 2.11 1xm9A1 ARG 424 HD2 0.06 -0.12 0.07 -0.04 3.22 3.18 1xm9A1 ARG 424 HD3 0.07 0.28 0.13 -0.04 3.22 3.66 1xm9A1 ASN 425 H 0.09 0.07 -1.21 -0.55 8.53 6.94 1xm9A1 ASN 425 HA 0.07 0.10 0.86 -0.75 4.76 5.04 1xm9A1 ASN 425 HB2 0.07 0.15 0.02 -0.04 2.88 3.07 1xm9A1 ASN 425 HB3 0.05 -0.07 0.05 -0.04 2.79 2.77 1xm9A1 ASN 425 HD21 0.04 -0.03 -0.02 -0.04 7.03 6.97 1xm9A1 ASN 425 HD22 0.04 0.11 0.05 -0.04 7.74 7.90 1xm9A1 TYR 426 H 0.19 0.20 0.02 -0.55 8.29 8.15 1xm9A1 TYR 426 HA 0.04 0.06 0.57 -0.75 4.56 4.47 1xm9A1 TYR 426 HB2 0.02 0.19 0.18 -0.04 3.06 3.41 1xm9A1 TYR 426 HB3 0.02 -0.12 0.26 -0.04 2.98 3.10 1xm9A1 TYR 426 HD2 0.03 -0.03 -0.15 -0.04 7.15 6.95 1xm9A1 TYR 426 HE2 0.03 0.03 -0.08 -0.04 6.85 6.79 1xm9A1 SER 427 H -0.14 0.25 0.27 -0.55 8.46 8.30 1xm9A1 SER 427 HA 0.09 -0.13 0.33 -0.75 4.49 4.02 1xm9A1 SER 427 HB2 -0.08 0.02 0.17 -0.04 3.95 4.01 1xm9A1 SER 427 HB3 0.06 0.01 0.03 -0.04 3.93 3.99 1xm9A1 GLY 428 H 0.16 -0.00 0.20 -0.55 8.43 8.24 1xm9A1 GLY 428 HA2 0.22 -0.04 0.38 -0.51 4.01 4.06 1xm9A1 GLY 428 HA3 0.32 0.26 0.62 -0.51 4.01 4.70 1xm9A1 LEU 429 H 0.17 0.62 -0.06 -0.55 8.37 8.55 1xm9A1 LEU 429 HA 0.04 0.12 0.47 -0.75 4.35 4.23 1xm9A1 LEU 429 HB2 0.13 0.09 0.09 -0.04 1.64 1.91 1xm9A1 LEU 429 HB3 0.09 0.08 0.21 -0.04 1.64 1.98 1xm9A1 LEU 429 HG -0.03 -0.03 -0.28 -0.04 1.64 1.25 1xm9A1 LEU 429 HD13 -0.09 -0.02 0.00 -0.04 0.93 0.78 1xm9A1 LEU 429 HD23 -0.08 0.01 0.01 -0.04 0.89 0.78 1xm9A1 ILE 430 H 0.02 0.25 0.01 -0.55 8.25 7.98 1xm9A1 ILE 430 HA -0.07 0.08 0.32 -0.75 4.18 3.76 1xm9A1 ILE 430 HB 0.06 -0.09 -0.15 -0.04 1.89 1.67 1xm9A1 ILE 430 HG12 0.03 0.02 -0.11 -0.04 1.49 1.39 1xm9A1 ILE 430 HG13 0.06 0.04 -0.06 -0.04 1.21 1.22 1xm9A1 ILE 430 HG23 0.04 0.02 -0.15 -0.04 0.93 0.79 1xm9A1 ILE 430 HD13 0.11 0.02 -0.15 -0.04 0.88 0.81 1xm9A1 ASP 431 H -0.21 -0.06 -0.50 -0.55 8.40 7.08 1xm9A1 ASP 431 HA -1.06 0.08 0.26 -0.75 4.63 3.16 1xm9A1 ASP 431 HB2 -0.80 0.08 0.04 -0.04 2.71 1.98 1xm9A1 ASP 431 HB3 -2.86 0.15 -0.00 -0.04 2.70 -0.06 1xm9A1 SER 432 H -0.39 0.46 -0.31 -0.55 8.46 7.67 1xm9A1 SER 432 HA -0.19 0.03 0.51 -0.75 4.49 4.09 1xm9A1 SER 432 HB2 0.02 0.02 0.15 -0.04 3.95 4.10 1xm9A1 SER 432 HB3 0.14 -0.05 0.05 -0.04 3.93 4.02 1xm9A1 LEU 433 H -0.09 0.66 0.09 -0.55 8.37 8.48 1xm9A1 LEU 433 HA 0.13 -0.03 0.32 -0.75 4.35 4.01 1xm9A1 LEU 433 HB2 -0.06 0.04 0.06 -0.04 1.64 1.63 1xm9A1 LEU 433 HB3 0.01 -0.02 -0.03 -0.04 1.64 1.56 1xm9A1 LEU 433 HG -0.05 0.08 -0.01 -0.04 1.64 1.63 1xm9A1 LEU 433 HD13 -0.05 -0.01 -0.13 -0.04 0.93 0.69 1xm9A1 LEU 433 HD23 -0.08 -0.02 -0.02 -0.04 0.89 0.73 1xm9A1 MET 434 H -0.30 0.49 -0.72 -0.55 8.47 7.40 1xm9A1 MET 434 HA -0.17 -0.04 0.28 -0.75 4.52 3.84 1xm9A1 MET 434 HB2 -0.60 0.24 0.03 -0.04 2.15 1.78 1xm9A1 MET 434 HB3 -0.99 0.21 0.03 -0.04 2.03 1.24 1xm9A1 MET 434 HG2 -1.26 -0.06 -0.11 -0.04 2.63 1.16 1xm9A1 MET 434 HG3 -0.67 -0.01 -0.13 -0.04 2.56 1.71 1xm9A1 MET 434 HE3 -0.06 -0.00 -0.01 -0.04 2.10 1.99 1xm9A1 ALA 435 H -0.30 0.39 -0.04 -0.55 8.40 7.91 1xm9A1 ALA 435 HA -0.16 0.02 0.42 -0.75 4.34 3.86 1xm9A1 ALA 435 HB3 0.02 0.01 0.12 -0.04 1.41 1.52 1xm9A1 TYR 436 H 0.13 0.40 -0.01 -0.55 8.29 8.26 1xm9A1 TYR 436 HA -0.04 0.02 0.29 -0.75 4.56 4.07 1xm9A1 TYR 436 HB2 0.04 0.01 0.03 -0.04 3.06 3.11 1xm9A1 TYR 436 HB3 0.11 0.11 0.05 -0.04 2.98 3.21 1xm9A1 TYR 436 HD2 0.03 0.09 -0.11 -0.04 7.15 7.12 1xm9A1 TYR 436 HE2 0.11 -0.02 -0.38 -0.04 6.85 6.51 1xm9A1 VAL 437 H 0.07 0.53 -0.24 -0.55 8.24 8.05 1xm9A1 VAL 437 HA -0.24 -0.08 0.34 -0.75 4.13 3.40 1xm9A1 VAL 437 HB 0.01 0.08 0.06 -0.04 2.12 2.23 1xm9A1 VAL 437 HG13 0.04 -0.02 -0.09 -0.04 0.97 0.85 1xm9A1 VAL 437 HG23 0.13 0.09 -0.01 -0.04 0.95 1.11 1xm9A1 GLN 438 H -0.09 0.57 -0.07 -0.55 8.47 8.33 1xm9A1 GLN 438 HA -0.06 -0.05 0.37 -0.75 4.36 3.87 1xm9A1 GLN 438 HB2 -0.10 0.11 0.22 -0.04 2.15 2.34 1xm9A1 GLN 438 HB3 -0.06 -0.08 0.02 -0.04 2.02 1.86 1xm9A1 GLN 438 HG2 -0.07 -0.11 0.04 -0.04 2.40 2.22 1xm9A1 GLN 438 HG3 -0.16 0.46 0.16 -0.04 2.39 2.81 1xm9A1 GLN 438 HE21 0.04 -0.07 -0.12 -0.04 6.97 6.78 1xm9A1 GLN 438 HE22 -0.04 0.04 -0.09 -0.04 7.69 7.56 1xm9A1 ASN 439 H -0.10 1.01 -0.03 -0.55 8.53 8.87 1xm9A1 ASN 439 HA -0.06 -0.01 0.37 -0.75 4.76 4.31 1xm9A1 ASN 439 HB2 -0.09 0.07 -0.04 -0.04 2.88 2.78 1xm9A1 ASN 439 HB3 -0.12 -0.05 -0.04 -0.04 2.79 2.54 1xm9A1 ASN 439 HD21 -0.05 0.02 -0.02 -0.04 7.03 6.94 1xm9A1 ASN 439 HD22 -0.07 -0.05 -0.06 -0.04 7.74 7.52 1xm9A1 CYS 440 H -0.31 0.82 -0.02 -0.55 8.50 8.45 1xm9A1 CYS 440 HA -0.15 -0.06 0.35 -0.75 4.58 3.97 1xm9A1 CYS 440 HB2 -0.39 0.21 0.14 -0.04 2.97 2.89 1xm9A1 CYS 440 HB3 -0.19 0.03 -0.11 -0.04 2.97 2.65 1xm9A1 VAL 441 H -0.11 0.63 -0.24 -0.55 8.24 7.97 1xm9A1 VAL 441 HA -0.04 -0.10 0.32 -0.75 4.13 3.55 1xm9A1 VAL 441 HB -0.04 0.17 0.15 -0.04 2.12 2.35 1xm9A1 VAL 441 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.80 1xm9A1 VAL 441 HG23 -0.02 0.03 -0.00 -0.04 0.95 0.92 1xm9A1 ALA 442 H -0.05 0.54 -0.15 -0.55 8.40 8.19 1xm9A1 ALA 442 HA -0.02 0.07 0.52 -0.75 4.34 4.15 1xm9A1 ALA 442 HB3 -0.03 0.01 0.11 -0.04 1.41 1.46 1xm9A1 ALA 443 H -0.05 0.53 0.00 -0.55 8.40 8.33 1xm9A1 ALA 443 HA -0.03 0.02 0.36 -0.75 4.34 3.94 1xm9A1 ALA 443 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 1xm9A1 SER 444 H -0.03 0.16 -1.08 -0.55 8.46 6.96 1xm9A1 SER 444 HA -0.02 0.07 0.25 -0.75 4.49 4.04 1xm9A1 SER 444 HB2 -0.01 0.05 0.32 -0.04 3.95 4.27 1xm9A1 SER 444 HB3 -0.01 -0.08 0.14 -0.04 3.93 3.94 1xm9A1 ARG 445 H -0.04 0.80 -0.09 -0.55 8.46 8.57 1xm9A1 ARG 445 HA -0.01 0.16 0.68 -0.75 4.34 4.42 1xm9A1 ARG 445 HB2 -0.06 -0.03 0.12 -0.04 1.90 1.89 1xm9A1 ARG 445 HB3 -0.01 -0.13 0.09 -0.04 1.80 1.71 1xm9A1 ARG 445 HG2 -0.03 0.18 -0.67 -0.04 1.67 1.11 1xm9A1 ARG 445 HG3 -0.03 -0.04 -0.09 -0.04 1.67 1.47 1xm9A1 ARG 445 HD2 -0.01 0.09 -0.09 -0.04 3.22 3.17 1xm9A1 ARG 445 HD3 -0.01 0.04 -0.07 -0.04 3.22 3.14 1xm9A1 CYS 446 H -0.01 0.28 -0.32 -0.55 8.50 7.89 1xm9A1 CYS 446 HA -0.03 0.08 0.24 -0.75 4.58 4.12 1xm9A1 CYS 446 HB2 0.00 0.05 -0.12 -0.04 2.97 2.86 1xm9A1 CYS 446 HB3 0.00 -0.03 -0.05 -0.04 2.97 2.85 1xm9A1 ASP 447 H 0.01 0.13 -0.59 -0.55 8.40 7.40 1xm9A1 ASP 447 HA 0.04 0.13 0.88 -0.75 4.63 4.92 1xm9A1 ASP 447 HB2 0.02 0.07 0.03 -0.04 2.71 2.79 1xm9A1 ASP 447 HB3 0.03 0.02 0.18 -0.04 2.70 2.89 1xm9A1 ASP 448 H 0.02 0.47 -0.32 -0.55 8.40 8.02 1xm9A1 ASP 448 HA 0.04 0.09 0.36 -0.75 4.63 4.37 1xm9A1 ASP 448 HB2 -0.02 0.35 0.18 -0.04 2.71 3.18 1xm9A1 ASP 448 HB3 0.07 -0.14 -0.01 -0.04 2.70 2.58 1xm9A1 LYS 449 H 0.11 0.14 0.12 -0.55 8.42 8.24 1xm9A1 LYS 449 HA 0.01 0.14 0.30 -0.75 4.32 4.01 1xm9A1 LYS 449 HB2 -0.02 0.03 0.13 -0.04 1.87 1.97 1xm9A1 LYS 449 HB3 0.08 -0.03 0.11 -0.04 1.79 1.91 1xm9A1 LYS 449 HG2 -0.28 0.01 -0.06 -0.04 1.46 1.08 1xm9A1 LYS 449 HG3 -0.34 -0.01 -0.22 -0.04 1.46 0.85 1xm9A1 LYS 449 HD2 -0.29 0.03 0.06 -0.04 1.69 1.46 1xm9A1 LYS 449 HD3 -0.26 0.01 0.00 -0.04 1.68 1.39 1xm9A1 LYS 449 HE2 -2.43 -0.01 -0.03 -0.04 2.99 0.48 1xm9A1 LYS 449 HE3 -0.57 0.02 -0.01 -0.04 2.99 2.38 1xm9A1 SER 450 H 0.38 0.12 -0.15 -0.55 8.46 8.27 1xm9A1 SER 450 HA 0.32 0.29 1.07 -0.75 4.49 5.41 1xm9A1 SER 450 HB2 0.19 0.05 -0.06 -0.04 3.95 4.09 1xm9A1 SER 450 HB3 0.10 -0.01 0.08 -0.04 3.93 4.06 1xm9A1 VAL 451 H 0.30 0.29 -0.43 -0.55 8.24 7.85 1xm9A1 VAL 451 HA 0.35 0.08 0.33 -0.75 4.13 4.14 1xm9A1 VAL 451 HB 0.10 0.05 -0.00 -0.04 2.12 2.23 1xm9A1 VAL 451 HG13 0.04 0.06 -0.11 -0.04 0.97 0.92 1xm9A1 VAL 451 HG23 -0.05 0.00 -0.07 -0.04 0.95 0.79 1xm9A1 GLU 452 H 0.14 0.22 -0.20 -0.55 8.60 8.21 1xm9A1 GLU 452 HA 0.06 0.07 0.30 -0.75 4.29 3.97 1xm9A1 GLU 452 HB2 0.10 0.02 0.03 -0.04 2.09 2.20 1xm9A1 GLU 452 HB3 0.13 0.04 -0.01 -0.04 1.99 2.10 1xm9A1 GLU 452 HG2 0.07 0.07 -0.30 -0.04 2.34 2.14 1xm9A1 GLU 452 HG3 0.06 -0.09 -0.20 -0.04 2.34 2.06 1xm9A1 ASN 453 H 0.10 0.12 -0.29 -0.55 8.53 7.91 1xm9A1 ASN 453 HA -0.03 0.07 0.33 -0.75 4.76 4.38 1xm9A1 ASN 453 HB2 -0.08 0.06 0.05 -0.04 2.88 2.87 1xm9A1 ASN 453 HB3 -0.25 0.13 -0.27 -0.04 2.79 2.36 1xm9A1 ASN 453 HD21 -0.96 0.00 -0.04 -0.04 7.03 5.99 1xm9A1 ASN 453 HD22 -0.52 0.03 -0.05 -0.04 7.74 7.16 1xm9A1 CYS 454 H 0.06 0.54 -0.11 -0.55 8.50 8.43 1xm9A1 CYS 454 HA -0.03 -0.02 0.35 -0.75 4.58 4.12 1xm9A1 CYS 454 HB2 0.22 0.09 0.12 -0.04 2.97 3.36 1xm9A1 CYS 454 HB3 0.14 0.00 0.00 -0.04 2.97 3.08 1xm9A1 MET 455 H 0.06 0.87 -0.14 -0.55 8.47 8.71 1xm9A1 MET 455 HA -0.03 -0.01 0.33 -0.75 4.52 4.05 1xm9A1 MET 455 HB2 0.02 0.09 0.12 -0.04 2.15 2.34 1xm9A1 MET 455 HB3 -0.05 -0.07 -0.03 -0.04 2.03 1.84 1xm9A1 MET 455 HG2 0.02 0.02 -0.01 -0.04 2.63 2.62 1xm9A1 MET 455 HG3 -0.02 -0.03 -0.02 -0.04 2.56 2.44 1xm9A1 MET 455 HE3 0.06 -0.01 -0.13 -0.04 2.10 1.98 1xm9A1 CYS 456 H 0.01 0.52 -0.43 -0.55 8.50 8.04 1xm9A1 CYS 456 HA 0.07 0.02 0.61 -0.75 4.58 4.53 1xm9A1 CYS 456 HB2 -0.00 0.17 0.22 -0.04 2.97 3.32 1xm9A1 CYS 456 HB3 0.01 -0.01 0.01 -0.04 2.97 2.94 1xm9A1 VAL 457 H -0.02 0.55 0.05 -0.55 8.24 8.27 1xm9A1 VAL 457 HA -0.03 0.06 0.36 -0.75 4.13 3.76 1xm9A1 VAL 457 HB -0.04 0.12 0.12 -0.04 2.12 2.28 1xm9A1 VAL 457 HG13 -0.04 -0.02 -0.18 -0.04 0.97 0.68 1xm9A1 VAL 457 HG23 -0.11 0.04 -0.17 -0.04 0.95 0.67 1xm9A1 LEU 458 H 0.01 0.54 -0.27 -0.55 8.37 8.11 1xm9A1 LEU 458 HA 0.06 0.01 0.38 -0.75 4.35 4.05 1xm9A1 LEU 458 HB2 -0.04 0.10 -0.01 -0.04 1.64 1.65 1xm9A1 LEU 458 HB3 0.10 -0.01 -0.09 -0.04 1.64 1.60 1xm9A1 LEU 458 HG 0.04 0.15 -0.08 -0.04 1.64 1.70 1xm9A1 LEU 458 HD13 0.16 -0.01 -0.19 -0.04 0.93 0.85 1xm9A1 LEU 458 HD23 0.07 -0.03 -0.13 -0.04 0.89 0.76 1xm9A1 HIS 459 H 0.07 0.31 -0.35 -0.55 8.41 7.89 1xm9A1 HIS 459 HA -0.04 -0.02 0.38 -0.75 4.63 4.19 1xm9A1 HIS 459 HB2 -0.08 0.05 0.20 -0.04 3.26 3.39 1xm9A1 HIS 459 HB3 -0.04 0.16 0.21 -0.04 3.20 3.49 1xm9A1 HIS 459 HD2 -0.03 -0.05 -0.04 -0.04 6.97 6.80 1xm9A1 HIS 459 HE1 0.02 0.04 -0.15 -0.04 7.75 7.61 1xm9A1 ASN 460 H 0.02 0.65 -0.17 -0.55 8.53 8.49 1xm9A1 ASN 460 HA -0.12 0.01 0.48 -0.75 4.76 4.37 1xm9A1 ASN 460 HB2 -0.03 -0.00 0.12 -0.04 2.88 2.92 1xm9A1 ASN 460 HB3 -0.04 0.33 0.02 -0.04 2.79 3.05 1xm9A1 ASN 460 HD21 -0.08 -0.08 -0.11 -0.04 7.03 6.72 1xm9A1 ASN 460 HD22 -0.06 -0.02 -0.25 -0.04 7.74 7.38 1xm9A1 LEU 461 H 0.05 0.56 -0.10 -0.55 8.37 8.33 1xm9A1 LEU 461 HA 0.07 0.08 0.51 -0.75 4.35 4.25 1xm9A1 LEU 461 HB2 0.08 0.02 0.06 -0.04 1.64 1.75 1xm9A1 LEU 461 HB3 0.08 -0.08 0.15 -0.04 1.64 1.74 1xm9A1 LEU 461 HG 0.02 0.34 0.04 -0.04 1.64 2.01 1xm9A1 LEU 461 HD13 0.04 -0.06 -0.11 -0.04 0.93 0.76 1xm9A1 LEU 461 HD23 0.02 0.02 0.04 -0.04 0.89 0.93 1xm9A1 SER 462 H 0.13 0.34 -0.74 -0.55 8.46 7.64 1xm9A1 SER 462 HA 0.11 0.07 0.67 -0.75 4.49 4.58 1xm9A1 SER 462 HB2 0.19 0.09 0.08 -0.04 3.95 4.26 1xm9A1 SER 462 HB3 0.15 -0.08 0.14 -0.04 3.93 4.10 1xm9A1 TYR 463 H 0.18 0.40 -0.34 -0.55 8.29 7.98 1xm9A1 TYR 463 HA 0.03 -0.01 0.62 -0.75 4.56 4.45 1xm9A1 TYR 463 HB2 -0.04 0.06 0.12 -0.04 3.06 3.16 1xm9A1 TYR 463 HB3 -0.02 0.12 0.13 -0.04 2.98 3.17 1xm9A1 TYR 463 HD2 -0.01 0.02 -0.01 -0.04 7.15 7.11 1xm9A1 TYR 463 HE2 -0.01 -0.02 -0.02 -0.04 6.85 6.75 1xm9A1 ARG 464 H -0.36 0.15 0.18 -0.55 8.46 7.87 1xm9A1 ARG 464 HA -0.26 -0.03 0.33 -0.75 4.34 3.62 1xm9A1 ARG 464 HB2 -0.45 0.19 -0.16 -0.04 1.90 1.44 1xm9A1 ARG 464 HB3 -0.26 -0.05 0.13 -0.04 1.80 1.58 1xm9A1 ARG 464 HG2 -0.65 -0.00 0.04 -0.04 1.67 1.02 1xm9A1 ARG 464 HG3 -1.84 0.02 -0.12 -0.04 1.67 -0.31 1xm9A1 ARG 464 HD2 -0.19 0.00 -0.02 -0.04 3.22 2.97 1xm9A1 ARG 464 HD3 -0.19 0.00 -0.03 -0.04 3.22 2.96 1xm9A1 LEU 465 H -0.08 0.23 -0.20 -0.55 8.37 7.78 1xm9A1 LEU 465 HA -0.05 0.15 0.45 -0.75 4.35 4.15 1xm9A1 LEU 465 HB2 0.00 0.17 -0.10 -0.04 1.64 1.67 1xm9A1 LEU 465 HB3 -0.05 -0.06 0.06 -0.04 1.64 1.55 1xm9A1 LEU 465 HG -0.14 -0.05 -0.13 -0.04 1.64 1.28 1xm9A1 LEU 465 HD13 0.03 0.02 0.03 -0.04 0.93 0.98 1xm9A1 LEU 465 HD23 0.01 0.00 -0.12 -0.04 0.89 0.75 1xm9A1 ASP 466 H -0.08 0.12 0.02 -0.55 8.40 7.92 1xm9A1 ASP 466 HA -0.10 0.15 0.38 -0.75 4.63 4.30 1xm9A1 ASP 466 HB2 -0.09 -0.02 0.11 -0.04 2.71 2.67 1xm9A1 ASP 466 HB3 -0.07 0.03 0.01 -0.04 2.70 2.63 1xm9A1 ALA 467 H -0.08 -0.01 -0.89 -0.55 8.40 6.87 1xm9A1 ALA 467 HA -0.04 0.12 0.61 -0.75 4.34 4.28 1xm9A1 ALA 467 HB3 -0.08 0.02 -0.02 -0.04 1.41 1.29 1xm9A1 GLU 468 H -0.06 0.23 -0.19 -0.55 8.60 8.04 1xm9A1 GLU 468 HA -0.02 0.18 1.07 -0.75 4.29 4.77 1xm9A1 GLU 468 HB2 -0.03 0.06 0.21 -0.04 2.09 2.28 1xm9A1 GLU 468 HB3 -0.01 -0.07 0.00 -0.04 1.99 1.87 1xm9A1 GLU 468 HG2 -0.02 -0.05 -0.05 -0.04 2.34 2.19 1xm9A1 GLU 468 HG3 -0.05 -0.05 -0.26 -0.04 2.34 1.94 1xm9A1 VAL 469 H -0.05 0.21 0.22 -0.55 8.24 8.07 1xm9A1 VAL 469 HA -0.02 0.10 0.58 -0.75 4.13 4.03 1xm9A1 VAL 469 HB -0.14 -0.03 -0.07 -0.04 2.12 1.84 1xm9A1 VAL 469 HG13 0.02 -0.01 0.04 -0.04 0.97 0.98 1xm9A1 VAL 469 HG23 -0.03 0.03 0.13 -0.04 0.95 1.04 1xm9A1 PRO 470 HA -0.04 0.06 0.55 -0.51 4.44 4.49 1xm9A1 PRO 470 HB2 0.01 -0.05 0.02 -0.04 2.28 2.22 1xm9A1 PRO 470 HB3 0.01 0.00 0.07 -0.04 2.02 2.07 1xm9A1 PRO 470 HG2 0.02 -0.01 0.08 -0.04 2.03 2.07 1xm9A1 PRO 470 HG3 0.01 0.15 0.02 -0.04 2.03 2.17 1xm9A1 PRO 470 HD2 0.00 0.01 0.23 -0.04 3.68 3.88 1xm9A1 PRO 470 HD3 -0.00 0.29 0.35 -0.04 3.65 4.24 1xm9A1 THR 471 H -0.05 0.16 0.20 -0.55 8.28 8.04 1xm9A1 THR 471 HA -0.01 0.22 0.69 -0.75 4.39 4.54 1xm9A1 THR 471 HB 0.05 -0.22 0.01 -0.04 4.32 4.13 1xm9A1 THR 471 HG23 0.17 -0.12 0.15 -0.04 1.22 1.38 1xm9A1 ARG 472 H -0.05 0.21 0.18 -0.55 8.46 8.24 1xm9A1 ARG 472 HA -0.11 0.15 0.51 -0.75 4.34 4.13 1xm9A1 ARG 472 HB2 -0.47 0.06 0.08 -0.04 1.90 1.52 1xm9A1 ARG 472 HB3 -0.20 0.07 0.11 -0.04 1.80 1.74 1xm9A1 ARG 472 HG2 -0.12 -0.00 0.08 -0.04 1.67 1.58 1xm9A1 ARG 472 HG3 -0.07 0.04 0.07 -0.04 1.67 1.67 1xm9A1 ARG 472 HD2 0.01 -0.09 0.19 -0.04 3.22 3.29 1xm9A1 ARG 472 HD3 -0.19 0.08 0.06 -0.04 3.22 3.13 1xm9A1 TYR 473 H -0.23 0.10 -0.06 -0.55 8.29 7.55 1xm9A1 TYR 473 HA -0.07 0.16 0.31 -0.75 4.56 4.21 1xm9A1 TYR 473 HB2 -0.09 0.01 0.07 -0.04 3.06 3.01 1xm9A1 TYR 473 HB3 -0.07 -0.08 -0.05 -0.04 2.98 2.73 1xm9A1 TYR 473 HD2 -0.04 0.01 -0.06 -0.04 7.15 7.01 1xm9A1 TYR 473 HE2 0.04 0.11 0.02 -0.04 6.85 6.98 1xm9A1 ARG 474 H -0.04 0.06 -0.31 -0.55 8.46 7.62 1xm9A1 ARG 474 HA -0.21 0.09 0.34 -0.75 4.34 3.80 1xm9A1 ARG 474 HB2 -0.10 -0.11 0.14 -0.04 1.90 1.78 1xm9A1 ARG 474 HB3 -0.24 0.06 -0.03 -0.04 1.80 1.54 1xm9A1 ARG 474 HG2 -0.25 -0.01 0.09 -0.04 1.67 1.45 1xm9A1 ARG 474 HG3 -0.09 0.04 0.06 -0.04 1.67 1.64 1xm9A1 ARG 474 HD2 0.02 -0.05 -0.01 -0.04 3.22 3.14 1xm9A1 ARG 474 HD3 0.01 0.05 0.00 -0.04 3.22 3.25 1xm9A1 GLN 475 H -0.16 0.22 -0.37 -0.55 8.47 7.62 1xm9A1 GLN 475 HA -0.18 0.07 0.56 -0.75 4.36 4.06 1xm9A1 GLN 475 HB2 -0.09 0.07 0.27 -0.04 2.15 2.35 1xm9A1 GLN 475 HB3 -0.02 -0.01 0.07 -0.04 2.02 2.01 1xm9A1 GLN 475 HG2 0.00 -0.01 0.04 -0.04 2.40 2.38 1xm9A1 GLN 475 HG3 -0.06 0.30 0.16 -0.04 2.39 2.75 1xm9A1 GLN 475 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 1xm9A1 GLN 475 HE22 0.04 0.01 -0.00 -0.04 7.69 7.70 1xm9A1 LEU 476 H -0.13 0.78 0.14 -0.55 8.37 8.61 1xm9A1 LEU 476 HA -0.05 0.03 0.30 -0.75 4.35 3.87 1xm9A1 LEU 476 HB2 -0.12 0.05 0.13 -0.04 1.64 1.65 1xm9A1 LEU 476 HB3 -0.05 0.02 0.05 -0.04 1.64 1.62 1xm9A1 LEU 476 HG -0.11 -0.02 0.02 -0.04 1.64 1.48 1xm9A1 LEU 476 HD13 -0.03 0.02 0.07 -0.04 0.93 0.94 1xm9A1 LEU 476 HD23 -0.08 -0.01 0.00 -0.04 0.89 0.75 1xm9A1 GLU 477 H -0.20 -0.02 -1.52 -0.55 8.60 6.32 1xm9A1 GLU 477 HA -0.03 0.08 0.68 -0.75 4.29 4.26 1xm9A1 GLU 477 HB2 -0.10 0.00 0.02 -0.04 2.09 1.97 1xm9A1 GLU 477 HB3 -0.31 0.23 0.12 -0.04 1.99 1.98 1xm9A1 GLU 477 HG2 -0.05 -0.06 0.00 -0.04 2.34 2.19 1xm9A1 GLU 477 HG3 -0.01 0.04 -0.05 -0.04 2.34 2.28 1xm9A1 TYR 478 H -0.18 0.44 0.11 -0.55 8.29 8.11 1xm9A1 TYR 478 HA 0.00 0.08 0.59 -0.75 4.56 4.48 1xm9A1 TYR 478 HB2 -0.00 -0.00 0.19 -0.04 3.06 3.20 1xm9A1 TYR 478 HB3 -0.00 -0.05 0.06 -0.04 2.98 2.95 1xm9A1 TYR 478 HD2 -0.00 -0.03 0.03 -0.04 7.15 7.12 1xm9A1 TYR 478 HE2 -0.00 -0.04 -0.01 -0.04 6.85 6.75 1xm9A1 ASN 479 H 0.09 0.32 -0.09 -0.55 8.53 8.31 1xm9A1 ASN 479 HA 0.06 0.17 0.79 -0.75 4.76 5.03 1xm9A1 ASN 479 HB2 0.03 -0.01 0.14 -0.04 2.88 3.00 1xm9A1 ASN 479 HB3 0.05 -0.03 0.04 -0.04 2.79 2.81 1xm9A1 ASN 479 HD21 -0.00 -0.05 -0.02 -0.04 7.03 6.92 1xm9A1 ASN 479 HD22 0.01 0.01 0.11 -0.04 7.74 7.83 1xm9A1 ALA 480 H 0.05 0.33 -0.58 -0.55 8.40 7.65 1xm9A1 ALA 480 HA 0.02 0.00 0.13 -0.75 4.34 3.74 1xm9A1 ALA 480 HB3 0.01 0.19 0.11 -0.04 1.41 1.68 1xm9A1 LEU 509 HA -0.02 -0.02 0.18 -0.75 4.35 3.74 1xm9A1 LEU 509 HB2 -0.02 -0.01 0.05 -0.04 1.64 1.63 1xm9A1 LEU 509 HB3 -0.04 -0.04 0.05 -0.04 1.64 1.58 1xm9A1 LEU 509 HG -0.05 -0.06 -0.24 -0.04 1.64 1.24 1xm9A1 LEU 509 HD13 -0.03 0.00 -0.00 -0.04 0.93 0.87 1xm9A1 LEU 509 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.77 1xm9A1 PRO 510 HA -0.15 -0.06 0.33 -0.51 4.44 4.04 1xm9A1 PRO 510 HB2 -0.38 0.08 -0.08 -0.04 2.28 1.86 1xm9A1 PRO 510 HB3 -0.39 -0.16 0.04 -0.04 2.02 1.47 1xm9A1 PRO 510 HG2 -1.57 -0.11 -0.03 -0.04 2.03 0.28 1xm9A1 PRO 510 HG3 -0.44 0.00 -0.04 -0.04 2.03 1.51 1xm9A1 PRO 510 HD2 -0.02 0.13 0.10 -0.04 3.68 3.85 1xm9A1 PRO 510 HD3 -0.12 0.13 0.14 -0.04 3.65 3.75 1xm9A1 GLU 511 H -0.10 -0.03 0.11 -0.55 8.60 8.03 1xm9A1 GLU 511 HA -0.06 0.18 0.50 -0.75 4.29 4.16 1xm9A1 GLU 511 HB2 -0.06 0.10 -0.00 -0.04 2.09 2.09 1xm9A1 GLU 511 HB3 -0.05 0.06 0.09 -0.04 1.99 2.05 1xm9A1 GLU 511 HG2 -0.07 0.06 0.11 -0.04 2.34 2.40 1xm9A1 GLU 511 HG3 -0.08 -0.17 0.15 -0.04 2.34 2.20 1xm9A1 GLU 512 H -0.08 -0.06 -0.06 -0.55 8.60 7.85 1xm9A1 GLU 512 HA -0.11 -0.09 0.31 -0.75 4.29 3.65 1xm9A1 GLU 512 HB2 -0.12 0.34 0.56 -0.04 2.09 2.83 1xm9A1 GLU 512 HB3 -0.16 0.00 0.11 -0.04 1.99 1.90 1xm9A1 GLU 512 HG2 -0.57 0.11 -0.07 -0.04 2.34 1.77 1xm9A1 GLU 512 HG3 -0.34 -0.04 0.08 -0.04 2.34 2.00 1xm9A1 GLU 513 H -0.10 0.05 0.10 -0.55 8.60 8.10 1xm9A1 GLU 513 HA -0.06 -0.04 0.34 -0.75 4.29 3.77 1xm9A1 GLU 513 HB2 -0.17 0.03 0.02 -0.04 2.09 1.93 1xm9A1 GLU 513 HB3 -0.14 -0.01 -0.33 -0.04 1.99 1.48 1xm9A1 GLU 513 HG2 -0.04 -0.02 0.07 -0.04 2.34 2.30 1xm9A1 GLU 513 HG3 -0.05 0.03 0.04 -0.04 2.34 2.32 1xm9A1 THR 514 H -0.05 0.03 0.16 -0.55 8.28 7.87 1xm9A1 THR 514 HA -0.02 0.24 0.68 -0.75 4.39 4.54 1xm9A1 THR 514 HB -0.02 -0.06 0.09 -0.04 4.32 4.29 1xm9A1 THR 514 HG23 -0.01 0.01 0.00 -0.04 1.22 1.18 1xm9A1 ASN 515 H -0.07 -0.05 -0.08 -0.55 8.53 7.78 1xm9A1 ASN 515 HA -0.10 0.30 0.85 -0.75 4.76 5.05 1xm9A1 ASN 515 HB2 -0.02 -0.07 0.15 -0.04 2.88 2.90 1xm9A1 ASN 515 HB3 0.01 0.07 0.03 -0.04 2.79 2.86 1xm9A1 ASN 515 HD21 -0.01 0.04 -0.04 -0.04 7.03 6.98 1xm9A1 ASN 515 HD22 -0.01 -0.04 0.01 -0.04 7.74 7.66 1xm9A1 PRO 516 HA -0.39 -0.05 0.36 -0.51 4.44 3.84 1xm9A1 PRO 516 HB2 -1.80 -0.02 -0.29 -0.04 2.28 0.13 1xm9A1 PRO 516 HB3 -0.66 0.05 -0.12 -0.04 2.02 1.26 1xm9A1 PRO 516 HG2 -2.57 0.02 -0.01 -0.04 2.03 -0.57 1xm9A1 PRO 516 HG3 -1.97 0.00 -0.05 -0.04 2.03 -0.02 1xm9A1 PRO 516 HD2 -0.45 0.20 0.05 -0.04 3.68 3.43 1xm9A1 PRO 516 HD3 -0.38 0.24 -0.34 -0.04 3.65 3.13 1xm9A1 LYS 517 H -0.17 0.12 0.21 -0.55 8.42 8.02 1xm9A1 LYS 517 HA 0.24 0.21 0.78 -0.75 4.32 4.79 1xm9A1 LYS 517 HB2 0.09 0.14 0.03 -0.04 1.87 2.09 1xm9A1 LYS 517 HB3 0.05 -0.03 0.08 -0.04 1.79 1.85 1xm9A1 LYS 517 HG2 0.11 0.05 -0.00 -0.04 1.46 1.57 1xm9A1 LYS 517 HG3 0.16 -0.13 -0.02 -0.04 1.46 1.43 1xm9A1 LYS 517 HD2 0.33 -0.03 0.11 -0.04 1.69 2.06 1xm9A1 LYS 517 HD3 0.18 0.09 0.03 -0.04 1.68 1.94 1xm9A1 LYS 517 HE2 0.18 0.09 0.02 -0.04 2.99 3.23 1xm9A1 LYS 517 HE3 0.12 0.03 0.02 -0.04 2.99 3.13 1xm9A1 GLY 518 H 0.26 0.15 0.10 -0.55 8.43 8.40 1xm9A1 GLY 518 HA2 0.20 -0.09 0.26 -0.51 4.01 3.86 1xm9A1 GLY 518 HA3 0.16 0.05 0.36 -0.51 4.01 4.07 1xm9A1 SER 519 H 0.14 0.24 0.12 -0.55 8.46 8.41 1xm9A1 SER 519 HA 0.17 0.01 0.39 -0.75 4.49 4.30 1xm9A1 SER 519 HB2 0.11 0.37 0.29 -0.04 3.95 4.67 1xm9A1 SER 519 HB3 0.13 -0.05 0.06 -0.04 3.93 4.03 1xm9A1 GLY 520 H 0.13 0.45 -0.53 -0.55 8.43 7.93 1xm9A1 GLY 520 HA2 0.28 0.00 0.31 -0.51 4.01 4.10 1xm9A1 GLY 520 HA3 -0.12 -0.10 0.31 -0.51 4.01 3.59 1xm9A1 TRP 521 H 0.27 0.59 -0.20 -0.55 7.97 8.08 1xm9A1 TRP 521 HA -0.10 0.00 0.43 -0.75 4.62 4.20 1xm9A1 TRP 521 HB2 -0.04 0.03 -0.05 -0.04 3.23 3.13 1xm9A1 TRP 521 HB3 -0.09 -0.03 -0.10 -0.04 3.23 2.98 1xm9A1 TRP 521 HD1 -0.11 0.11 -0.38 -0.04 7.22 6.79 1xm9A1 TRP 521 HE1 -0.21 -0.06 -0.21 -0.04 10.20 9.68 1xm9A1 TRP 521 HE3 -0.23 -0.12 -0.08 -0.04 7.59 7.12 1xm9A1 TRP 521 HZ2 -0.01 0.05 -0.04 -0.04 7.44 7.40 1xm9A1 TRP 521 HZ3 -0.25 -0.03 -0.08 -0.04 7.13 6.73 1xm9A1 TRP 521 HH2 -0.08 0.03 -0.04 -0.04 7.19 7.06 1xm9A1 LEU 522 H 0.30 0.22 -0.16 -0.55 8.37 8.19 1xm9A1 LEU 522 HA 0.26 -0.01 0.19 -0.75 4.35 4.04 1xm9A1 LEU 522 HB2 0.31 0.10 -0.03 -0.04 1.64 1.97 1xm9A1 LEU 522 HB3 0.22 0.03 0.01 -0.04 1.64 1.86 1xm9A1 LEU 522 HG 0.22 -0.06 0.00 -0.04 1.64 1.76 1xm9A1 LEU 522 HD13 0.14 0.03 -0.06 -0.04 0.93 0.99 1xm9A1 LEU 522 HD23 0.19 -0.01 -0.08 -0.04 0.89 0.95 1xm9A1 TYR 523 H 0.16 0.20 -0.82 -0.55 8.29 7.28 1xm9A1 TYR 523 HA 0.04 0.22 0.93 -0.75 4.56 4.99 1xm9A1 TYR 523 HB2 0.00 -0.06 0.16 -0.04 3.06 3.11 1xm9A1 TYR 523 HB3 0.03 0.02 -0.11 -0.04 2.98 2.88 1xm9A1 TYR 523 HD2 0.10 -0.06 -0.07 -0.04 7.15 7.08 1xm9A1 TYR 523 HE2 0.05 -0.08 -0.04 -0.04 6.85 6.73 1xm9A1 HIS 524 H 0.05 0.99 0.21 -0.55 8.41 9.11 1xm9A1 HIS 524 HA -0.19 0.15 0.81 -0.75 4.63 4.64 1xm9A1 HIS 524 HB2 -0.39 0.17 0.15 -0.04 3.26 3.15 1xm9A1 HIS 524 HB3 -0.08 -0.12 0.19 -0.04 3.20 3.15 1xm9A1 HIS 524 HD2 -0.45 -0.03 -0.08 -0.04 6.97 6.36 1xm9A1 HIS 524 HE1 -0.08 0.07 -0.00 -0.04 7.75 7.70 1xm9A1 SER 525 H -0.36 0.27 0.17 -0.55 8.46 7.99 1xm9A1 SER 525 HA -0.02 0.09 0.38 -0.75 4.49 4.20 1xm9A1 SER 525 HB2 -0.01 0.05 0.10 -0.04 3.95 4.05 1xm9A1 SER 525 HB3 -0.08 0.06 0.13 -0.04 3.93 4.00 1xm9A1 ASP 526 H 0.87 0.04 -0.47 -0.55 8.40 8.30 1xm9A1 ASP 526 HA 0.11 0.14 0.42 -0.75 4.63 4.55 1xm9A1 ASP 526 HB2 -0.20 -0.05 0.05 -0.04 2.71 2.46 1xm9A1 ASP 526 HB3 0.24 0.04 -0.13 -0.04 2.70 2.81 1xm9A1 ALA 527 H 0.10 0.23 -0.20 -0.55 8.40 7.98 1xm9A1 ALA 527 HA -0.20 0.06 0.44 -0.75 4.34 3.88 1xm9A1 ALA 527 HB3 -0.18 0.05 -0.07 -0.04 1.41 1.17 1xm9A1 ILE 528 H -0.14 0.46 -0.11 -0.55 8.25 7.90 1xm9A1 ILE 528 HA -0.23 0.05 0.31 -0.75 4.18 3.56 1xm9A1 ILE 528 HB -0.04 0.00 0.06 -0.04 1.89 1.88 1xm9A1 ILE 528 HG12 0.01 0.01 -0.08 -0.04 1.49 1.39 1xm9A1 ILE 528 HG13 -0.05 0.10 -0.12 -0.04 1.21 1.10 1xm9A1 ILE 528 HG23 0.00 0.01 -0.23 -0.04 0.93 0.67 1xm9A1 ILE 528 HD13 -0.01 -0.01 -0.21 -0.04 0.88 0.61 1xm9A1 ARG 529 H -0.05 0.46 -0.41 -0.55 8.46 7.90 1xm9A1 ARG 529 HA -0.00 0.06 0.37 -0.75 4.34 4.01 1xm9A1 ARG 529 HB2 0.01 0.07 0.11 -0.04 1.90 2.04 1xm9A1 ARG 529 HB3 0.00 0.13 0.11 -0.04 1.80 2.00 1xm9A1 ARG 529 HG2 0.01 -0.05 -0.30 -0.04 1.67 1.29 1xm9A1 ARG 529 HG3 0.01 0.03 -0.02 -0.04 1.67 1.65 1xm9A1 ARG 529 HD2 0.02 -0.01 -0.05 -0.04 3.22 3.13 1xm9A1 ARG 529 HD3 0.01 -0.01 -0.05 -0.04 3.22 3.13 1xm9A1 THR 530 H -0.08 0.40 -0.18 -0.55 8.28 7.88 1xm9A1 THR 530 HA 0.01 0.04 0.40 -0.75 4.39 4.08 1xm9A1 THR 530 HB -0.08 0.06 0.12 -0.04 4.32 4.39 1xm9A1 THR 530 HG23 0.03 -0.02 -0.14 -0.04 1.22 1.06 1xm9A1 TYR 531 H -0.09 0.70 -0.27 -0.55 8.29 8.07 1xm9A1 TYR 531 HA 0.00 -0.04 0.42 -0.75 4.56 4.19 1xm9A1 TYR 531 HB2 0.02 0.18 0.16 -0.04 3.06 3.38 1xm9A1 TYR 531 HB3 0.00 -0.07 -0.03 -0.04 2.98 2.84 1xm9A1 TYR 531 HD2 0.02 -0.05 -0.13 -0.04 7.15 6.94 1xm9A1 TYR 531 HE2 0.04 0.00 -0.15 -0.04 6.85 6.71 1xm9A1 LEU 532 H 0.11 0.85 0.05 -0.55 8.37 8.83 1xm9A1 LEU 532 HA 0.07 -0.05 0.32 -0.75 4.35 3.93 1xm9A1 LEU 532 HB2 0.03 0.10 0.14 -0.04 1.64 1.87 1xm9A1 LEU 532 HB3 0.03 -0.01 0.01 -0.04 1.64 1.63 1xm9A1 LEU 532 HG 0.06 0.04 0.01 -0.04 1.64 1.71 1xm9A1 LEU 532 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.80 1xm9A1 LEU 532 HD23 0.04 -0.03 -0.05 -0.04 0.89 0.81 1xm9A1 ASN 533 H 0.06 0.38 -0.72 -0.55 8.53 7.70 1xm9A1 ASN 533 HA 0.02 0.03 0.44 -0.75 4.76 4.49 1xm9A1 ASN 533 HB2 0.03 0.14 0.22 -0.04 2.88 3.23 1xm9A1 ASN 533 HB3 0.02 -0.06 -0.02 -0.04 2.79 2.69 1xm9A1 ASN 533 HD21 0.01 -0.05 -0.05 -0.04 7.03 6.90 1xm9A1 ASN 533 HD22 0.01 0.15 -0.06 -0.04 7.74 7.80 1xm9A1 LEU 534 H 0.06 0.57 0.05 -0.55 8.37 8.51 1xm9A1 LEU 534 HA 0.02 -0.05 0.45 -0.75 4.35 4.02 1xm9A1 LEU 534 HB2 0.06 0.18 0.25 -0.04 1.64 2.09 1xm9A1 LEU 534 HB3 0.02 -0.12 -0.02 -0.04 1.64 1.48 1xm9A1 LEU 534 HG 0.04 0.14 0.08 -0.04 1.64 1.86 1xm9A1 LEU 534 HD13 0.04 -0.04 -0.02 -0.04 0.93 0.87 1xm9A1 LEU 534 HD23 0.00 -0.03 0.07 -0.04 0.89 0.89 1xm9A1 MET 535 H 0.04 0.68 -0.18 -0.55 8.47 8.46 1xm9A1 MET 535 HA 0.01 -0.10 0.28 -0.75 4.52 3.97 1xm9A1 MET 535 HB2 0.03 -0.01 -0.01 -0.04 2.15 2.13 1xm9A1 MET 535 HB3 0.03 0.20 0.06 -0.04 2.03 2.28 1xm9A1 MET 535 HG2 0.02 0.12 -0.18 -0.04 2.63 2.55 1xm9A1 MET 535 HG3 0.01 -0.10 0.00 -0.04 2.56 2.43 1xm9A1 MET 535 HE3 0.01 -0.01 -0.25 -0.04 2.10 1.82 1xm9A1 GLY 536 H 0.02 0.41 -0.21 -0.55 8.43 8.11 1xm9A1 GLY 536 HA2 0.01 0.04 0.53 -0.51 4.01 4.09 1xm9A1 GLY 536 HA3 0.02 -0.00 0.32 -0.51 4.01 3.83 1xm9A1 LYS 537 H 0.01 0.35 -0.15 -0.55 8.42 8.08 1xm9A1 LYS 537 HA 0.01 0.22 1.07 -0.75 4.32 4.86 1xm9A1 LYS 537 HB2 0.01 0.04 0.09 -0.04 1.87 1.97 1xm9A1 LYS 537 HB3 0.00 -0.14 0.01 -0.04 1.79 1.63 1xm9A1 LYS 537 HG2 0.01 0.04 -0.10 -0.04 1.46 1.36 1xm9A1 LYS 537 HG3 0.00 -0.03 -0.00 -0.04 1.46 1.39 1xm9A1 LYS 537 HD2 0.01 0.13 -0.02 -0.04 1.69 1.77 1xm9A1 LYS 537 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 1xm9A1 LYS 537 HE2 0.00 -0.03 0.01 -0.04 2.99 2.94 1xm9A1 LYS 537 HE3 0.01 -0.02 0.07 -0.04 2.99 3.01 1xm9A1 SER 538 H 0.01 0.83 0.14 -0.55 8.46 8.90 1xm9A1 SER 538 HA 0.01 -0.09 0.22 -0.75 4.49 3.89 1xm9A1 SER 538 HB2 0.01 0.06 0.04 -0.04 3.95 4.02 1xm9A1 SER 538 HB3 0.01 0.09 -0.07 -0.04 3.93 3.93 1xm9A1 LYS 539 H 0.02 -0.00 0.14 -0.55 8.42 8.02 1xm9A1 LYS 539 HA 0.02 0.31 0.85 -0.75 4.32 4.73 1xm9A1 LYS 539 HB2 0.02 -0.06 0.04 -0.04 1.87 1.82 1xm9A1 LYS 539 HB3 0.02 -0.03 0.12 -0.04 1.79 1.86 1xm9A1 LYS 539 HG2 0.01 0.14 -0.16 -0.04 1.46 1.42 1xm9A1 LYS 539 HG3 0.01 -0.04 -0.01 -0.04 1.46 1.38 1xm9A1 LYS 539 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 1xm9A1 LYS 539 HD3 0.01 -0.08 0.02 -0.04 1.68 1.59 1xm9A1 LYS 539 HE2 0.01 0.04 0.06 -0.04 2.99 3.06 1xm9A1 LYS 539 HE3 0.01 0.16 -0.11 -0.04 2.99 3.01 1xm9A1 LYS 540 H 0.02 0.05 0.01 -0.55 8.42 7.95 1xm9A1 LYS 540 HA 0.03 0.22 0.90 -0.75 4.32 4.71 1xm9A1 LYS 540 HB2 0.04 -0.02 0.15 -0.04 1.87 1.99 1xm9A1 LYS 540 HB3 0.04 -0.12 0.02 -0.04 1.79 1.70 1xm9A1 LYS 540 HG2 0.04 0.09 -0.02 -0.04 1.46 1.53 1xm9A1 LYS 540 HG3 0.04 0.01 0.01 -0.04 1.46 1.47 1xm9A1 LYS 540 HD2 0.06 -0.06 0.02 -0.04 1.69 1.68 1xm9A1 LYS 540 HD3 0.07 -0.03 0.01 -0.04 1.68 1.68 1xm9A1 LYS 540 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 1xm9A1 LYS 540 HE3 0.06 0.12 0.01 -0.04 2.99 3.14 1xm9A1 ASP 541 H 0.02 0.25 0.13 -0.55 8.40 8.26 1xm9A1 ASP 541 HA 0.02 0.15 0.32 -0.75 4.63 4.37 1xm9A1 ASP 541 HB2 0.02 -0.04 0.11 -0.04 2.71 2.77 1xm9A1 ASP 541 HB3 0.02 -0.02 -0.06 -0.04 2.70 2.61 1xm9A1 ALA 542 H 0.03 0.09 -0.13 -0.55 8.40 7.84 1xm9A1 ALA 542 HA 0.03 0.09 0.31 -0.75 4.34 4.01 1xm9A1 ALA 542 HB3 0.05 0.01 0.01 -0.04 1.41 1.45 1xm9A1 THR 543 H 0.03 0.04 -0.35 -0.55 8.28 7.45 1xm9A1 THR 543 HA 0.01 0.06 0.35 -0.75 4.39 4.06 1xm9A1 THR 543 HB 0.02 0.07 0.09 -0.04 4.32 4.46 1xm9A1 THR 543 HG23 0.01 0.04 -0.21 -0.04 1.22 1.02 1xm9A1 LEU 544 H 0.01 0.49 -0.11 -0.55 8.37 8.22 1xm9A1 LEU 544 HA -0.01 0.05 0.34 -0.75 4.35 3.97 1xm9A1 LEU 544 HB2 0.01 -0.02 0.13 -0.04 1.64 1.72 1xm9A1 LEU 544 HB3 -0.00 -0.01 -0.00 -0.04 1.64 1.59 1xm9A1 LEU 544 HG 0.01 0.01 -0.22 -0.04 1.64 1.40 1xm9A1 LEU 544 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 1xm9A1 LEU 544 HD23 0.01 0.03 -0.02 -0.04 0.89 0.87 1xm9A1 GLU 545 H -0.00 0.74 -0.22 -0.55 8.60 8.57 1xm9A1 GLU 545 HA -0.03 0.00 0.36 -0.75 4.29 3.87 1xm9A1 GLU 545 HB2 0.01 -0.07 -0.02 -0.04 2.09 1.97 1xm9A1 GLU 545 HB3 0.02 0.14 0.03 -0.04 1.99 2.13 1xm9A1 GLU 545 HG2 0.04 0.02 -0.09 -0.04 2.34 2.27 1xm9A1 GLU 545 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 1xm9A1 ALA 546 H -0.04 0.37 -0.33 -0.55 8.40 7.85 1xm9A1 ALA 546 HA -0.23 0.03 0.47 -0.75 4.34 3.86 1xm9A1 ALA 546 HB3 -0.05 0.08 -0.01 -0.04 1.41 1.39 1xm9A1 CYS 547 H -0.12 0.51 0.01 -0.55 8.50 8.36 1xm9A1 CYS 547 HA -0.30 -0.01 0.35 -0.75 4.58 3.86 1xm9A1 CYS 547 HB2 -0.04 0.08 0.14 -0.04 2.97 3.11 1xm9A1 CYS 547 HB3 -0.00 0.01 -0.08 -0.04 2.97 2.85 1xm9A1 ALA 548 H -0.08 0.66 -0.12 -0.55 8.40 8.31 1xm9A1 ALA 548 HA -0.03 0.00 0.26 -0.75 4.34 3.81 1xm9A1 ALA 548 HB3 -0.04 -0.00 -0.05 -0.04 1.41 1.27 1xm9A1 GLY 549 H -0.25 0.45 -0.43 -0.55 8.43 7.65 1xm9A1 GLY 549 HA2 -0.17 -0.08 0.35 -0.51 4.01 3.60 1xm9A1 GLY 549 HA3 -0.98 0.07 0.39 -0.51 4.01 2.98 1xm9A1 ALA 550 H -0.48 0.85 0.08 -0.55 8.40 8.31 1xm9A1 ALA 550 HA 0.09 0.02 0.42 -0.75 4.34 4.12 1xm9A1 ALA 550 HB3 -0.13 -0.00 0.00 -0.04 1.41 1.24 1xm9A1 LEU 551 H -0.03 0.48 -0.26 -0.55 8.37 8.02 1xm9A1 LEU 551 HA 0.10 -0.03 0.34 -0.75 4.35 4.01 1xm9A1 LEU 551 HB2 0.02 0.16 0.08 -0.04 1.64 1.87 1xm9A1 LEU 551 HB3 0.05 -0.06 -0.04 -0.04 1.64 1.55 1xm9A1 LEU 551 HG 0.11 0.25 0.01 -0.04 1.64 1.96 1xm9A1 LEU 551 HD13 0.07 -0.03 -0.11 -0.04 0.93 0.83 1xm9A1 LEU 551 HD23 0.20 -0.03 -0.07 -0.04 0.89 0.95 1xm9A1 GLN 552 H -0.00 0.60 -0.14 -0.55 8.47 8.38 1xm9A1 GLN 552 HA 0.04 0.01 0.33 -0.75 4.36 3.98 1xm9A1 GLN 552 HB2 0.02 -0.01 0.01 -0.04 2.15 2.14 1xm9A1 GLN 552 HB3 0.03 0.30 0.25 -0.04 2.02 2.56 1xm9A1 GLN 552 HG2 0.08 -0.04 -0.37 -0.04 2.40 2.04 1xm9A1 GLN 552 HG3 0.05 -0.01 -0.15 -0.04 2.39 2.24 1xm9A1 GLN 552 HE21 0.16 -0.08 -0.03 -0.04 6.97 6.97 1xm9A1 GLN 552 HE22 0.21 0.10 -0.01 -0.04 7.69 7.95 1xm9A1 ASN 553 H 0.11 0.56 -0.02 -0.55 8.53 8.63 1xm9A1 ASN 553 HA 0.12 -0.09 0.42 -0.75 4.76 4.46 1xm9A1 ASN 553 HB2 0.18 0.11 0.12 -0.04 2.88 3.25 1xm9A1 ASN 553 HB3 0.15 0.34 0.03 -0.04 2.79 3.27 1xm9A1 ASN 553 HD21 0.17 -0.07 -0.06 -0.04 7.03 7.03 1xm9A1 ASN 553 HD22 0.27 0.11 -0.33 -0.04 7.74 7.74 1xm9A1 LEU 554 H 0.08 0.73 -0.07 -0.55 8.37 8.56 1xm9A1 LEU 554 HA 0.03 -0.08 0.46 -0.75 4.35 4.00 1xm9A1 LEU 554 HB2 0.07 0.19 0.11 -0.04 1.64 1.97 1xm9A1 LEU 554 HB3 0.03 -0.13 0.03 -0.04 1.64 1.54 1xm9A1 LEU 554 HG 0.15 0.13 0.04 -0.04 1.64 1.91 1xm9A1 LEU 554 HD13 0.13 0.00 0.00 -0.04 0.93 1.02 1xm9A1 LEU 554 HD23 0.12 0.02 0.04 -0.04 0.89 1.04 1xm9A1 THR 555 H 0.04 0.51 -0.54 -0.55 8.28 7.74 1xm9A1 THR 555 HA 0.01 -0.02 0.81 -0.75 4.39 4.43 1xm9A1 THR 555 HB 0.02 -0.06 -0.10 -0.04 4.32 4.14 1xm9A1 THR 555 HG23 0.04 0.18 0.09 -0.04 1.22 1.49 1xm9A1 ALA 556 H 0.02 0.36 -0.18 -0.55 8.40 8.05 1xm9A1 ALA 556 HA 0.03 0.18 0.69 -0.75 4.34 4.48 1xm9A1 ALA 556 HB3 0.02 0.01 0.12 -0.04 1.41 1.51 1xm9A1 SER 557 H -0.01 0.13 -0.05 -0.55 8.46 7.98 1xm9A1 SER 557 HA -0.02 0.10 0.21 -0.75 4.49 4.02 1xm9A1 SER 557 HB2 -0.03 -0.11 0.08 -0.04 3.95 3.85 1xm9A1 SER 557 HB3 -0.05 -0.02 0.10 -0.04 3.93 3.92 1xm9A1 LYS 558 H 0.03 0.44 -0.38 -0.55 8.42 7.96 1xm9A1 LYS 558 HA 0.04 0.07 0.27 -0.75 4.32 3.95 1xm9A1 LYS 558 HB2 0.01 -0.01 0.15 -0.04 1.87 1.99 1xm9A1 LYS 558 HB3 0.01 0.01 0.16 -0.04 1.79 1.93 1xm9A1 LYS 558 HG2 -0.00 -0.11 -0.48 -0.04 1.46 0.82 1xm9A1 LYS 558 HG3 -0.00 -0.05 -0.08 -0.04 1.46 1.29 1xm9A1 LYS 558 HD2 -0.02 -0.05 0.03 -0.04 1.69 1.61 1xm9A1 LYS 558 HD3 -0.00 0.15 0.13 -0.04 1.68 1.92 1xm9A1 LYS 558 HE2 -0.01 -0.04 -0.08 -0.04 2.99 2.81 1xm9A1 LYS 558 HE3 -0.02 -0.08 -0.03 -0.04 2.99 2.82 1xm9A1 GLY 559 H 0.02 -0.30 -1.26 -0.55 8.43 6.34 1xm9A1 GLY 559 HA2 0.03 0.28 0.80 -0.51 4.01 4.61 1xm9A1 GLY 559 HA3 0.00 -0.10 0.36 -0.51 4.01 3.76 1xm9A1 LEU 560 H 0.00 0.10 0.13 -0.55 8.37 8.06 1xm9A1 LEU 560 HA 0.02 0.30 0.80 -0.75 4.35 4.72 1xm9A1 LEU 560 HB2 0.04 0.10 -0.04 -0.04 1.64 1.69 1xm9A1 LEU 560 HB3 0.11 -0.06 -0.04 -0.04 1.64 1.61 1xm9A1 LEU 560 HG 0.14 -0.06 -0.05 -0.04 1.64 1.63 1xm9A1 LEU 560 HD13 0.04 0.03 -0.06 -0.04 0.93 0.89 1xm9A1 LEU 560 HD23 0.05 0.03 -0.25 -0.04 0.89 0.68 1xm9A1 MET 561 H -0.08 0.09 0.09 -0.55 8.47 8.02 1xm9A1 MET 561 HA -1.09 0.10 0.47 -0.75 4.52 3.24 1xm9A1 MET 561 HB2 -0.18 -0.05 0.12 -0.04 2.15 2.00 1xm9A1 MET 561 HB3 -0.19 0.02 0.07 -0.04 2.03 1.89 1xm9A1 MET 561 HG2 -0.51 0.02 0.11 -0.04 2.63 2.21 1xm9A1 MET 561 HG3 -0.46 -0.05 0.07 -0.04 2.56 2.07 1xm9A1 MET 561 HE3 -0.21 -0.00 -0.09 -0.04 2.10 1.75 1xm9A1 SER 562 H -0.10 -0.02 -0.46 -0.55 8.46 7.33 1xm9A1 SER 562 HA -0.09 0.25 0.43 -0.75 4.49 4.33 1xm9A1 SER 562 HB2 0.02 -0.24 -0.23 -0.04 3.95 3.45 1xm9A1 SER 562 HB3 0.14 0.16 -0.29 -0.04 3.93 3.90 1xm9A1 SER 563 H -0.22 0.10 -0.55 -0.55 8.46 7.25 1xm9A1 SER 563 HA -1.48 0.11 0.43 -0.75 4.49 2.79 1xm9A1 SER 563 HB2 -0.17 0.09 0.08 -0.04 3.95 3.90 1xm9A1 SER 563 HB3 -0.14 0.14 0.11 -0.04 3.93 4.00 1xm9A1 GLY 564 H -0.25 0.34 -0.14 -0.55 8.43 7.84 1xm9A1 GLY 564 HA2 -0.06 0.10 0.48 -0.51 4.01 4.01 1xm9A1 GLY 564 HA3 -0.10 0.05 0.30 -0.51 4.01 3.75 1xm9A1 MET 565 H -0.27 0.65 -0.05 -0.55 8.47 8.26 1xm9A1 MET 565 HA -0.08 -0.01 0.34 -0.75 4.52 4.02 1xm9A1 MET 565 HB2 -0.15 0.27 0.18 -0.04 2.15 2.41 1xm9A1 MET 565 HB3 -0.05 0.02 -0.18 -0.04 2.03 1.78 1xm9A1 MET 565 HG2 -0.02 0.04 -0.01 -0.04 2.63 2.60 1xm9A1 MET 565 HG3 -0.01 -0.06 -0.01 -0.04 2.56 2.44 1xm9A1 MET 565 HE3 0.04 -0.04 -0.00 -0.04 2.10 2.06 1xm9A1 SER 566 H -0.17 0.56 -0.33 -0.55 8.46 7.97 1xm9A1 SER 566 HA -0.02 0.01 0.36 -0.75 4.49 4.08 1xm9A1 SER 566 HB2 -0.21 0.07 0.14 -0.04 3.95 3.91 1xm9A1 SER 566 HB3 0.03 -0.06 0.05 -0.04 3.93 3.90 1xm9A1 GLN 567 H -0.12 0.48 -0.30 -0.55 8.47 7.99 1xm9A1 GLN 567 HA -0.04 -0.01 0.34 -0.75 4.36 3.90 1xm9A1 GLN 567 HB2 -0.06 0.22 0.23 -0.04 2.15 2.49 1xm9A1 GLN 567 HB3 -0.04 -0.07 -0.05 -0.04 2.02 1.82 1xm9A1 GLN 567 HG2 -0.04 -0.07 -0.02 -0.04 2.40 2.23 1xm9A1 GLN 567 HG3 -0.09 0.16 0.08 -0.04 2.39 2.49 1xm9A1 GLN 567 HE21 -0.02 0.01 -0.02 -0.04 6.97 6.89 1xm9A1 GLN 567 HE22 -0.06 -0.04 -0.02 -0.04 7.69 7.53 1xm9A1 LEU 568 H -0.05 0.71 -0.10 -0.55 8.37 8.38 1xm9A1 LEU 568 HA -0.03 -0.04 0.50 -0.75 4.35 4.03 1xm9A1 LEU 568 HB2 -0.04 0.19 0.10 -0.04 1.64 1.85 1xm9A1 LEU 568 HB3 -0.03 -0.01 -0.08 -0.04 1.64 1.48 1xm9A1 LEU 568 HG -0.04 -0.08 0.10 -0.04 1.64 1.58 1xm9A1 LEU 568 HD13 -0.03 0.02 0.00 -0.04 0.93 0.88 1xm9A1 LEU 568 HD23 -0.07 -0.02 -0.04 -0.04 0.89 0.72 1xm9A1 ILE 569 H -0.02 0.44 -0.48 -0.55 8.25 7.64 1xm9A1 ILE 569 HA 0.00 0.05 0.47 -0.75 4.18 3.95 1xm9A1 ILE 569 HB 0.00 0.17 0.21 -0.04 1.89 2.23 1xm9A1 ILE 569 HG12 0.02 -0.09 -0.07 -0.04 1.49 1.31 1xm9A1 ILE 569 HG13 -0.00 0.27 0.01 -0.04 1.21 1.45 1xm9A1 ILE 569 HG23 0.02 -0.03 -0.22 -0.04 0.93 0.66 1xm9A1 ILE 569 HD13 0.03 -0.02 -0.11 -0.04 0.88 0.74 1xm9A1 GLY 570 H -0.01 0.74 0.15 -0.55 8.43 8.77 1xm9A1 GLY 570 HA2 0.00 -0.14 0.35 -0.51 4.01 3.71 1xm9A1 GLY 570 HA3 -0.00 0.08 0.28 -0.51 4.01 3.86 1xm9A1 LEU 571 H -0.01 0.36 -0.39 -0.55 8.37 7.78 1xm9A1 LEU 571 HA -0.00 0.22 1.12 -0.75 4.35 4.94 1xm9A1 LEU 571 HB2 -0.01 0.24 0.17 -0.04 1.64 1.99 1xm9A1 LEU 571 HB3 -0.01 -0.04 0.00 -0.04 1.64 1.55 1xm9A1 LEU 571 HG -0.01 -0.09 -0.22 -0.04 1.64 1.27 1xm9A1 LEU 571 HD13 -0.01 0.03 -0.02 -0.04 0.93 0.89 1xm9A1 LEU 571 HD23 -0.00 0.06 -0.03 -0.04 0.89 0.87 1xm9A1 LYS 572 H -0.01 0.30 0.13 -0.55 8.42 8.28 1xm9A1 LYS 572 HA -0.01 0.09 0.49 -0.75 4.32 4.14 1xm9A1 LYS 572 HB2 -0.02 -0.02 0.14 -0.04 1.87 1.93 1xm9A1 LYS 572 HB3 -0.02 0.11 0.28 -0.04 1.79 2.12 1xm9A1 LYS 572 HG2 -0.01 0.02 -0.11 -0.04 1.46 1.33 1xm9A1 LYS 572 HG3 -0.01 -0.01 0.05 -0.04 1.46 1.45 1xm9A1 LYS 572 HD2 -0.03 0.01 0.05 -0.04 1.69 1.67 1xm9A1 LYS 572 HD3 -0.03 -0.03 0.03 -0.04 1.68 1.61 1xm9A1 LYS 572 HE2 -0.02 0.02 0.01 -0.04 2.99 2.95 1xm9A1 LYS 572 HE3 -0.03 -0.05 0.00 -0.04 2.99 2.87 1xm9A1 GLU 573 H -0.01 0.52 0.05 -0.55 8.60 8.61 1xm9A1 GLU 573 HA 0.00 0.13 0.55 -0.75 4.29 4.22 1xm9A1 GLU 573 HB2 0.00 0.06 0.12 -0.04 2.09 2.23 1xm9A1 GLU 573 HB3 0.01 -0.05 0.10 -0.04 1.99 2.00 1xm9A1 GLU 573 HG2 -0.01 0.12 0.11 -0.04 2.34 2.52 1xm9A1 GLU 573 HG3 -0.00 -0.10 0.01 -0.04 2.34 2.21 1xm9A1 LYS 574 H 0.00 0.09 -1.20 -0.55 8.42 6.76 1xm9A1 LYS 574 HA 0.00 0.08 0.03 -0.75 4.32 3.68 1xm9A1 LYS 574 HB2 0.01 0.02 -0.18 -0.04 1.87 1.68 1xm9A1 LYS 574 HB3 0.01 -0.08 0.13 -0.04 1.79 1.80 1xm9A1 LYS 574 HG2 0.01 -0.07 0.03 -0.04 1.46 1.39 1xm9A1 LYS 574 HG3 0.00 0.33 -0.05 -0.04 1.46 1.70 1xm9A1 LYS 574 HD2 0.00 -0.03 0.02 -0.04 1.69 1.65 1xm9A1 LYS 574 HD3 0.01 0.05 -0.06 -0.04 1.68 1.63 1xm9A1 LYS 574 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 1xm9A1 LYS 574 HE3 0.01 -0.03 0.00 -0.04 2.99 2.94 1xm9A1 GLY 575 H 0.01 0.47 -0.18 -0.55 8.43 8.18 1xm9A1 GLY 575 HA2 0.01 0.19 0.64 -0.51 4.01 4.34 1xm9A1 GLY 575 HA3 0.02 -0.01 0.17 -0.51 4.01 3.67 1xm9A1 LEU 576 H 0.01 0.17 -0.17 -0.55 8.37 7.83 1xm9A1 LEU 576 HA 0.01 -0.02 0.25 -0.75 4.35 3.83 1xm9A1 LEU 576 HB2 0.01 0.08 -0.00 -0.04 1.64 1.69 1xm9A1 LEU 576 HB3 0.00 0.02 -0.11 -0.04 1.64 1.51 1xm9A1 LEU 576 HG 0.00 -0.05 0.03 -0.04 1.64 1.57 1xm9A1 LEU 576 HD13 0.00 0.03 -0.19 -0.04 0.93 0.73 1xm9A1 LEU 576 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 1xm9A1 PRO 577 HA 0.01 0.07 0.36 -0.51 4.44 4.38 1xm9A1 PRO 577 HB2 0.01 0.00 0.06 -0.04 2.28 2.32 1xm9A1 PRO 577 HB3 0.01 0.03 0.01 -0.04 2.02 2.03 1xm9A1 PRO 577 HG2 0.01 0.12 0.00 -0.04 2.03 2.12 1xm9A1 PRO 577 HG3 0.01 0.03 -0.01 -0.04 2.03 2.03 1xm9A1 PRO 577 HD2 0.01 0.21 -0.38 -0.04 3.68 3.49 1xm9A1 PRO 577 HD3 0.01 0.05 -0.07 -0.04 3.65 3.59 1xm9A1 GLN 578 H 0.01 0.26 -0.07 -0.55 8.47 8.13 1xm9A1 GLN 578 HA 0.01 0.05 0.32 -0.75 4.36 4.00 1xm9A1 GLN 578 HB2 0.02 0.06 0.02 -0.04 2.15 2.21 1xm9A1 GLN 578 HB3 0.02 -0.06 -0.07 -0.04 2.02 1.87 1xm9A1 GLN 578 HG2 0.02 0.17 0.09 -0.04 2.40 2.64 1xm9A1 GLN 578 HG3 0.02 -0.02 0.04 -0.04 2.39 2.39 1xm9A1 GLN 578 HE21 0.02 0.15 0.07 -0.04 6.97 7.16 1xm9A1 GLN 578 HE22 0.02 -0.02 0.05 -0.04 7.69 7.69 1xm9A1 ILE 579 H 0.01 0.40 -0.52 -0.55 8.25 7.59 1xm9A1 ILE 579 HA 0.01 0.07 0.64 -0.75 4.18 4.14 1xm9A1 ILE 579 HB 0.01 0.13 0.11 -0.04 1.89 2.09 1xm9A1 ILE 579 HG12 0.01 -0.05 -0.10 -0.04 1.49 1.31 1xm9A1 ILE 579 HG13 0.02 0.10 -0.15 -0.04 1.21 1.14 1xm9A1 ILE 579 HG23 0.00 -0.03 -0.14 -0.04 0.93 0.72 1xm9A1 ILE 579 HD13 0.02 -0.02 -0.20 -0.04 0.88 0.64 1xm9A1 ALA 580 H 0.00 0.79 0.17 -0.55 8.40 8.81 1xm9A1 ALA 580 HA -0.00 -0.04 0.35 -0.75 4.34 3.89 1xm9A1 ALA 580 HB3 0.00 0.01 0.12 -0.04 1.41 1.50 1xm9A1 ARG 581 H 0.01 0.14 -1.14 -0.55 8.46 6.91 1xm9A1 ARG 581 HA 0.02 0.10 0.62 -0.75 4.34 4.32 1xm9A1 ARG 581 HB2 0.01 0.30 0.05 -0.04 1.90 2.22 1xm9A1 ARG 581 HB3 0.01 0.06 -0.06 -0.04 1.80 1.78 1xm9A1 ARG 581 HG2 0.02 -0.07 0.05 -0.04 1.67 1.62 1xm9A1 ARG 581 HG3 0.02 0.00 -0.03 -0.04 1.67 1.61 1xm9A1 ARG 581 HD2 0.01 -0.02 -0.07 -0.04 3.22 3.10 1xm9A1 ARG 581 HD3 0.02 -0.05 -0.02 -0.04 3.22 3.12 1xm9A1 LEU 582 H 0.01 0.52 -0.08 -0.55 8.37 8.26 1xm9A1 LEU 582 HA 0.01 -0.00 0.38 -0.75 4.35 3.99 1xm9A1 LEU 582 HB2 0.00 0.24 0.20 -0.04 1.64 2.04 1xm9A1 LEU 582 HB3 0.00 -0.14 -0.02 -0.04 1.64 1.44 1xm9A1 LEU 582 HG 0.01 0.35 0.19 -0.04 1.64 2.15 1xm9A1 LEU 582 HD13 -0.00 -0.04 0.04 -0.04 0.93 0.89 1xm9A1 LEU 582 HD23 0.01 -0.04 0.01 -0.04 0.89 0.83 1xm9A1 LEU 583 H 0.00 0.24 -0.65 -0.55 8.37 7.42 1xm9A1 LEU 583 HA -0.01 -0.05 0.31 -0.75 4.35 3.85 1xm9A1 LEU 583 HB2 0.00 0.22 -0.06 -0.04 1.64 1.75 1xm9A1 LEU 583 HB3 -0.02 0.01 0.07 -0.04 1.64 1.66 1xm9A1 LEU 583 HG -0.01 -0.00 -0.03 -0.04 1.64 1.56 1xm9A1 LEU 583 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.76 1xm9A1 LEU 583 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.73 1xm9A1 GLN 584 H 0.02 0.44 -0.56 -0.55 8.47 7.82 1xm9A1 GLN 584 HA 0.03 0.17 0.86 -0.75 4.36 4.66 1xm9A1 GLN 584 HB2 0.02 0.10 0.01 -0.04 2.15 2.25 1xm9A1 GLN 584 HB3 0.03 -0.08 0.07 -0.04 2.02 2.00 1xm9A1 GLN 584 HG2 0.03 -0.05 -0.01 -0.04 2.40 2.32 1xm9A1 GLN 584 HG3 0.02 -0.01 -0.21 -0.04 2.39 2.16 1xm9A1 GLN 584 HE21 0.02 -0.01 0.01 -0.04 6.97 6.95 1xm9A1 GLN 584 HE22 0.02 -0.06 -0.01 -0.04 7.69 7.61 1xm9A1 SER 585 H 0.02 0.39 -0.14 -0.55 8.46 8.19 1xm9A1 SER 585 HA 0.02 0.02 0.35 -0.75 4.49 4.12 1xm9A1 SER 585 HB2 0.02 0.12 0.17 -0.04 3.95 4.22 1xm9A1 SER 585 HB3 0.02 0.07 0.09 -0.04 3.93 4.07 1xm9A1 GLY 586 H 0.02 0.12 0.15 -0.55 8.43 8.17 1xm9A1 GLY 586 HA2 0.03 0.27 0.75 -0.51 4.01 4.55 1xm9A1 GLY 586 HA3 0.02 0.01 0.40 -0.51 4.01 3.94 1xm9A1 ASN 587 H 0.03 0.15 -0.62 -0.55 8.53 7.54 1xm9A1 ASN 587 HA 0.02 0.17 0.88 -0.75 4.76 5.07 1xm9A1 ASN 587 HB2 0.02 0.10 -0.12 -0.04 2.88 2.84 1xm9A1 ASN 587 HB3 0.02 0.00 0.09 -0.04 2.79 2.87 1xm9A1 ASN 587 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 1xm9A1 ASN 587 HD22 0.02 0.07 -0.01 -0.04 7.74 7.78 1xm9A1 SER 588 H 0.03 0.23 0.10 -0.55 8.46 8.28 1xm9A1 SER 588 HA 0.07 0.19 0.39 -0.75 4.49 4.38 1xm9A1 SER 588 HB2 0.06 -0.06 0.03 -0.04 3.95 3.94 1xm9A1 SER 588 HB3 0.04 0.10 0.08 -0.04 3.93 4.12 1xm9A1 ASP 589 H 0.03 0.10 -0.15 -0.55 8.40 7.83 1xm9A1 ASP 589 HA 0.02 0.10 0.39 -0.75 4.63 4.39 1xm9A1 ASP 589 HB2 0.02 -0.02 -0.02 -0.04 2.71 2.64 1xm9A1 ASP 589 HB3 0.02 0.10 0.00 -0.04 2.70 2.78 1xm9A1 VAL 590 H 0.02 0.06 -0.47 -0.55 8.24 7.31 1xm9A1 VAL 590 HA 0.01 0.10 0.46 -0.75 4.13 3.94 1xm9A1 VAL 590 HB 0.02 0.17 0.14 -0.04 2.12 2.40 1xm9A1 VAL 590 HG13 0.01 0.05 -0.15 -0.04 0.97 0.84 1xm9A1 VAL 590 HG23 0.02 -0.02 -0.02 -0.04 0.95 0.88 1xm9A1 VAL 591 H 0.03 0.38 -0.01 -0.55 8.24 8.09 1xm9A1 VAL 591 HA 0.00 0.11 0.24 -0.75 4.13 3.72 1xm9A1 VAL 591 HB 0.04 -0.08 0.01 -0.04 2.12 2.05 1xm9A1 VAL 591 HG13 -0.07 -0.00 0.01 -0.04 0.97 0.86 1xm9A1 VAL 591 HG23 0.04 0.07 -0.07 -0.04 0.95 0.95 1xm9A1 ARG 592 H 0.02 0.32 -0.57 -0.55 8.46 7.68 1xm9A1 ARG 592 HA 0.01 -0.02 0.26 -0.75 4.34 3.83 1xm9A1 ARG 592 HB2 0.02 0.09 0.10 -0.04 1.90 2.07 1xm9A1 ARG 592 HB3 0.02 0.06 -0.03 -0.04 1.80 1.81 1xm9A1 ARG 592 HG2 0.03 -0.10 -0.04 -0.04 1.67 1.52 1xm9A1 ARG 592 HG3 0.02 -0.10 -0.02 -0.04 1.67 1.54 1xm9A1 ARG 592 HD2 0.01 0.03 -0.11 -0.04 3.22 3.11 1xm9A1 ARG 592 HD3 0.01 -0.03 -0.02 -0.04 3.22 3.14 1xm9A1 SER 593 H 0.01 0.32 -0.16 -0.55 8.46 8.08 1xm9A1 SER 593 HA 0.01 0.02 0.25 -0.75 4.49 4.02 1xm9A1 SER 593 HB2 -0.01 0.07 0.10 -0.04 3.95 4.07 1xm9A1 SER 593 HB3 -0.03 -0.04 -0.12 -0.04 3.93 3.70 1xm9A1 GLY 594 H -0.00 0.43 -0.24 -0.55 8.43 8.07 1xm9A1 GLY 594 HA2 -0.00 0.02 0.33 -0.51 4.01 3.85 1xm9A1 GLY 594 HA3 -0.01 0.08 0.25 -0.51 4.01 3.82 1xm9A1 ALA 595 H -0.01 0.52 -0.05 -0.55 8.40 8.31 1xm9A1 ALA 595 HA -0.01 -0.02 0.31 -0.75 4.34 3.86 1xm9A1 ALA 595 HB3 -0.03 0.02 0.08 -0.04 1.41 1.44 1xm9A1 SER 596 H 0.00 0.61 -0.34 -0.55 8.46 8.19 1xm9A1 SER 596 HA 0.01 -0.02 0.38 -0.75 4.49 4.11 1xm9A1 SER 596 HB2 0.01 -0.05 -0.02 -0.04 3.95 3.85 1xm9A1 SER 596 HB3 0.01 0.10 0.07 -0.04 3.93 4.07 1xm9A1 LEU 597 H 0.01 0.63 -0.20 -0.55 8.37 8.26 1xm9A1 LEU 597 HA 0.03 -0.01 0.41 -0.75 4.35 4.03 1xm9A1 LEU 597 HB2 0.01 0.01 0.08 -0.04 1.64 1.70 1xm9A1 LEU 597 HB3 0.01 0.16 0.26 -0.04 1.64 2.03 1xm9A1 LEU 597 HG 0.02 -0.04 -0.28 -0.04 1.64 1.30 1xm9A1 LEU 597 HD13 0.03 -0.03 -0.22 -0.04 0.93 0.67 1xm9A1 LEU 597 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1xm9A1 LEU 598 H 0.00 0.80 0.09 -0.55 8.37 8.72 1xm9A1 LEU 598 HA 0.00 -0.05 0.27 -0.75 4.35 3.82 1xm9A1 LEU 598 HB2 -0.01 0.03 0.05 -0.04 1.64 1.67 1xm9A1 LEU 598 HB3 -0.03 -0.02 -0.07 -0.04 1.64 1.47 1xm9A1 LEU 598 HG -0.01 0.12 -0.20 -0.04 1.64 1.51 1xm9A1 LEU 598 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.72 1xm9A1 LEU 598 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.73 1xm9A1 SER 599 H 0.03 0.69 -0.26 -0.55 8.46 8.37 1xm9A1 SER 599 HA 0.08 -0.06 0.30 -0.75 4.49 4.06 1xm9A1 SER 599 HB2 0.24 -0.08 0.06 -0.04 3.95 4.13 1xm9A1 SER 599 HB3 0.07 0.10 0.15 -0.04 3.93 4.21 1xm9A1 ASN 600 H 0.06 0.43 -0.05 -0.55 8.53 8.42 1xm9A1 ASN 600 HA 0.09 -0.03 0.35 -0.75 4.76 4.41 1xm9A1 ASN 600 HB2 0.07 -0.03 0.09 -0.04 2.88 2.97 1xm9A1 ASN 600 HB3 0.08 0.18 0.13 -0.04 2.79 3.13 1xm9A1 ASN 600 HD21 0.03 -0.13 -0.06 -0.04 7.03 6.84 1xm9A1 ASN 600 HD22 0.05 0.09 -0.41 -0.04 7.74 7.42 1xm9A1 MET 601 H 0.06 0.47 -0.19 -0.55 8.47 8.26 1xm9A1 MET 601 HA 0.18 -0.05 0.47 -0.75 4.52 4.37 1xm9A1 MET 601 HB2 0.03 0.16 0.10 -0.04 2.15 2.40 1xm9A1 MET 601 HB3 0.04 -0.10 0.01 -0.04 2.03 1.94 1xm9A1 MET 601 HG2 0.05 -0.07 0.03 -0.04 2.63 2.60 1xm9A1 MET 601 HG3 0.04 0.21 -0.02 -0.04 2.56 2.75 1xm9A1 MET 601 HE3 0.01 0.01 -0.18 -0.04 2.10 1.90 1xm9A1 SER 602 H 0.02 0.62 -0.14 -0.55 8.46 8.41 1xm9A1 SER 602 HA 0.04 -0.07 0.15 -0.75 4.49 3.86 1xm9A1 SER 602 HB2 -0.05 -0.06 0.05 -0.04 3.95 3.85 1xm9A1 SER 602 HB3 -0.04 -0.04 0.04 -0.04 3.93 3.86 1xm9A1 ARG 603 H -0.06 0.43 -0.88 -0.55 8.46 7.40 1xm9A1 ARG 603 HA -0.10 0.01 0.43 -0.75 4.34 3.93 1xm9A1 ARG 603 HB2 0.02 -0.06 0.07 -0.04 1.90 1.89 1xm9A1 ARG 603 HB3 -0.34 0.39 0.17 -0.04 1.80 1.98 1xm9A1 ARG 603 HG2 -0.40 -0.04 -0.17 -0.04 1.67 1.01 1xm9A1 ARG 603 HG3 -0.06 -0.06 0.04 -0.04 1.67 1.55 1xm9A1 ARG 603 HD2 -0.43 -0.02 -0.07 -0.04 3.22 2.67 1xm9A1 ARG 603 HD3 -0.09 -0.06 -0.01 -0.04 3.22 3.02 1xm9A1 HIS 604 H -0.14 0.57 -0.05 -0.55 8.41 8.25 1xm9A1 HIS 604 HA -0.08 0.18 0.80 -0.75 4.63 4.78 1xm9A1 HIS 604 HB2 -0.09 -0.01 0.14 -0.04 3.26 3.26 1xm9A1 HIS 604 HB3 -0.08 -0.10 0.07 -0.04 3.20 3.06 1xm9A1 HIS 604 HD2 -0.02 0.02 -0.05 -0.04 6.97 6.87 1xm9A1 HIS 604 HE1 -0.01 0.00 -0.29 -0.04 7.75 7.40 1xm9A1 PRO 605 HA -0.82 0.12 0.41 -0.51 4.44 3.63 1xm9A1 PRO 605 HB2 -0.03 -0.03 0.09 -0.04 2.28 2.27 1xm9A1 PRO 605 HB3 0.03 0.03 0.10 -0.04 2.02 2.14 1xm9A1 PRO 605 HG2 0.02 0.02 0.12 -0.04 2.03 2.15 1xm9A1 PRO 605 HG3 0.06 0.12 0.11 -0.04 2.03 2.28 1xm9A1 PRO 605 HD2 0.02 0.03 0.24 -0.04 3.68 3.92 1xm9A1 PRO 605 HD3 -0.02 0.39 0.36 -0.04 3.65 4.34 1xm9A1 LEU 606 H -0.07 0.15 -0.19 -0.55 8.37 7.71 1xm9A1 LEU 606 HA -0.04 0.07 0.42 -0.75 4.35 4.05 1xm9A1 LEU 606 HB2 -0.04 0.03 0.02 -0.04 1.64 1.60 1xm9A1 LEU 606 HB3 -0.03 0.01 0.07 -0.04 1.64 1.65 1xm9A1 LEU 606 HG -0.02 0.04 0.02 -0.04 1.64 1.64 1xm9A1 LEU 606 HD13 -0.01 0.00 0.00 -0.04 0.93 0.88 1xm9A1 LEU 606 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.84 1xm9A1 LEU 607 H -0.17 0.54 -0.44 -0.55 8.37 7.75 1xm9A1 LEU 607 HA -0.02 0.14 0.92 -0.75 4.35 4.64 1xm9A1 LEU 607 HB2 -0.03 0.29 -0.08 -0.04 1.64 1.77 1xm9A1 LEU 607 HB3 -0.01 -0.10 0.02 -0.04 1.64 1.51 1xm9A1 LEU 607 HG -0.01 0.02 -0.15 -0.04 1.64 1.46 1xm9A1 LEU 607 HD13 0.01 -0.02 -0.18 -0.04 0.93 0.69 1xm9A1 LEU 607 HD23 -0.03 -0.03 -0.41 -0.04 0.89 0.38 1xm9A1 HIS 608 H -0.16 0.45 -0.14 -0.55 8.41 8.01 1xm9A1 HIS 608 HA -0.02 0.10 0.33 -0.75 4.63 4.29 1xm9A1 HIS 608 HB2 0.01 0.01 0.15 -0.04 3.26 3.40 1xm9A1 HIS 608 HB3 0.02 0.01 0.01 -0.04 3.20 3.19 1xm9A1 HIS 608 HD2 -0.04 -0.10 -0.14 -0.04 6.97 6.64 1xm9A1 HIS 608 HE1 -0.02 -0.03 -0.08 -0.04 7.75 7.57 1xm9A1 ARG 609 H 0.09 0.19 -0.13 -0.55 8.46 8.06 1xm9A1 ARG 609 HA 0.07 0.09 0.40 -0.75 4.34 4.15 1xm9A1 ARG 609 HB2 0.05 0.05 0.10 -0.04 1.90 2.06 1xm9A1 ARG 609 HB3 0.03 -0.07 0.12 -0.04 1.80 1.84 1xm9A1 ARG 609 HG2 0.03 0.01 -0.03 -0.04 1.67 1.64 1xm9A1 ARG 609 HG3 0.04 -0.02 -0.13 -0.04 1.67 1.52 1xm9A1 ARG 609 HD2 0.04 0.02 0.01 -0.04 3.22 3.25 1xm9A1 ARG 609 HD3 0.03 0.01 0.00 -0.04 3.22 3.22 1xm9A1 VAL 610 H 0.03 0.17 -0.11 -0.55 8.24 7.77 1xm9A1 VAL 610 HA 0.02 0.01 0.28 -0.75 4.13 3.69 1xm9A1 VAL 610 HB 0.01 0.01 0.11 -0.04 2.12 2.21 1xm9A1 VAL 610 HG13 0.00 0.02 -0.09 -0.04 0.97 0.87 1xm9A1 VAL 610 HG23 0.01 0.04 0.03 -0.04 0.95 0.99 1xm9A1 MET 611 H 0.03 0.56 -0.41 -0.55 8.47 8.09 1xm9A1 MET 611 HA -0.02 -0.03 0.42 -0.75 4.52 4.14 1xm9A1 MET 611 HB2 0.01 0.19 0.09 -0.04 2.15 2.40 1xm9A1 MET 611 HB3 -0.08 -0.10 -0.03 -0.04 2.03 1.78 1xm9A1 MET 611 HG2 -0.02 -0.12 -0.03 -0.04 2.63 2.42 1xm9A1 MET 611 HG3 0.00 0.05 0.01 -0.04 2.56 2.58 1xm9A1 MET 611 HE3 -0.04 0.03 -0.03 -0.04 2.10 2.02 1xm9A1 GLY 612 H 0.06 0.65 -0.11 -0.55 8.43 8.48 1xm9A1 GLY 612 HA2 0.26 -0.07 0.51 -0.51 4.01 4.21 1xm9A1 GLY 612 HA3 0.17 0.09 0.37 -0.51 4.01 4.14 1xm9A1 ASN 613 H 0.05 0.45 -0.14 -0.55 8.53 8.34 1xm9A1 ASN 613 HA 0.05 0.06 0.46 -0.75 4.76 4.58 1xm9A1 ASN 613 HB2 0.03 0.11 0.02 -0.04 2.88 3.00 1xm9A1 ASN 613 HB3 0.04 -0.04 0.06 -0.04 2.79 2.80 1xm9A1 ASN 613 HD21 0.03 -0.04 -0.05 -0.04 7.03 6.93 1xm9A1 ASN 613 HD22 0.03 -0.00 -0.02 -0.04 7.74 7.70 1xm9A1 GLN 614 H 0.02 0.18 -0.40 -0.55 8.47 7.73 1xm9A1 GLN 614 HA 0.03 0.20 0.88 -0.75 4.36 4.72 1xm9A1 GLN 614 HB2 0.01 -0.06 0.01 -0.04 2.15 2.07 1xm9A1 GLN 614 HB3 0.02 0.02 -0.07 -0.04 2.02 1.96 1xm9A1 GLN 614 HG2 0.02 0.22 0.03 -0.04 2.40 2.62 1xm9A1 GLN 614 HG3 0.01 -0.07 -0.08 -0.04 2.39 2.20 1xm9A1 GLN 614 HE21 0.02 -0.01 -0.05 -0.04 6.97 6.89 1xm9A1 GLN 614 HE22 0.02 0.02 -0.10 -0.04 7.69 7.60 1xm9A1 VAL 615 H -0.02 0.42 0.13 -0.55 8.24 8.21 1xm9A1 VAL 615 HA -0.02 0.22 1.17 -0.75 4.13 4.74 1xm9A1 VAL 615 HB -0.13 0.21 0.14 -0.04 2.12 2.29 1xm9A1 VAL 615 HG13 -0.09 -0.03 -0.12 -0.04 0.97 0.69 1xm9A1 VAL 615 HG23 -0.03 -0.02 -0.13 -0.04 0.95 0.73 1xm9A1 PHE 616 H -0.05 0.25 0.17 -0.55 8.34 8.16 1xm9A1 PHE 616 HA -0.13 0.01 0.30 -0.75 4.62 4.05 1xm9A1 PHE 616 HB2 -0.39 0.20 0.21 -0.04 3.15 3.12 1xm9A1 PHE 616 HB3 -0.96 0.02 -0.05 -0.04 3.06 2.03 1xm9A1 PHE 616 HD2 -0.12 -0.01 0.07 -0.04 7.28 7.17 1xm9A1 PHE 616 HE2 -0.00 0.02 -0.09 -0.04 7.38 7.27 1xm9A1 PHE 616 HZ -0.06 0.01 -0.12 -0.04 7.32 7.10 1xm9A1 PRO 617 HA 0.36 0.07 0.46 -0.51 4.44 4.82 1xm9A1 PRO 617 HB2 0.21 0.02 -0.05 -0.04 2.28 2.42 1xm9A1 PRO 617 HB3 0.60 0.05 0.04 -0.04 2.02 2.67 1xm9A1 PRO 617 HG2 0.07 -0.08 -0.10 -0.04 2.03 1.88 1xm9A1 PRO 617 HG3 0.11 0.11 -0.11 -0.04 2.03 2.11 1xm9A1 PRO 617 HD2 -0.03 -0.07 -0.71 -0.04 3.68 2.84 1xm9A1 PRO 617 HD3 -0.18 0.20 -0.06 -0.04 3.65 3.56 1xm9A1 GLU 618 H 0.05 0.25 -0.20 -0.55 8.60 8.15 1xm9A1 GLU 618 HA 0.06 0.01 0.41 -0.75 4.29 4.02 1xm9A1 GLU 618 HB2 0.04 -0.02 0.07 -0.04 2.09 2.14 1xm9A1 GLU 618 HB3 0.01 0.08 0.09 -0.04 1.99 2.13 1xm9A1 GLU 618 HG2 0.02 0.15 0.06 -0.04 2.34 2.53 1xm9A1 GLU 618 HG3 0.01 -0.05 -0.03 -0.04 2.34 2.23 1xm9A1 VAL 619 H 0.01 0.51 -0.20 -0.55 8.24 8.01 1xm9A1 VAL 619 HA -0.02 0.05 0.48 -0.75 4.13 3.89 1xm9A1 VAL 619 HB -0.06 0.04 -0.02 -0.04 2.12 2.04 1xm9A1 VAL 619 HG13 -0.02 -0.01 -0.17 -0.04 0.97 0.73 1xm9A1 VAL 619 HG23 -0.07 -0.01 -0.07 -0.04 0.95 0.76 1xm9A1 THR 620 H 0.12 0.53 -0.14 -0.55 8.28 8.24 1xm9A1 THR 620 HA 0.13 0.06 0.23 -0.75 4.39 4.06 1xm9A1 THR 620 HB 0.25 0.17 0.22 -0.04 4.32 4.92 1xm9A1 THR 620 HG23 0.21 0.02 -0.11 -0.04 1.22 1.30 1xm9A1 ARG 621 H 0.11 0.54 -0.05 -0.55 8.46 8.51 1xm9A1 ARG 621 HA 0.08 -0.05 0.38 -0.75 4.34 4.00 1xm9A1 ARG 621 HB2 0.08 0.01 0.12 -0.04 1.90 2.07 1xm9A1 ARG 621 HB3 0.06 0.14 0.09 -0.04 1.80 2.05 1xm9A1 ARG 621 HG2 0.06 0.01 -0.23 -0.04 1.67 1.47 1xm9A1 ARG 621 HG3 0.06 -0.09 0.04 -0.04 1.67 1.63 1xm9A1 ARG 621 HD2 0.05 0.06 -0.02 -0.04 3.22 3.27 1xm9A1 ARG 621 HD3 0.05 -0.04 -0.02 -0.04 3.22 3.16 1xm9A1 LEU 622 H 0.03 0.36 -0.70 -0.55 8.37 7.52 1xm9A1 LEU 622 HA 0.00 -0.11 0.48 -0.75 4.35 3.97 1xm9A1 LEU 622 HB2 -0.03 0.11 0.17 -0.04 1.64 1.84 1xm9A1 LEU 622 HB3 -0.05 0.17 0.27 -0.04 1.64 1.98 1xm9A1 LEU 622 HG -0.41 -0.12 0.19 -0.04 1.64 1.26 1xm9A1 LEU 622 HD13 -0.17 0.01 0.08 -0.04 0.93 0.81 1xm9A1 LEU 622 HD23 -0.14 -0.02 0.10 -0.04 0.89 0.79 1xm9A1 LEU 623 H 0.05 0.09 -0.58 -0.55 8.37 7.38 1xm9A1 LEU 623 HA 0.02 -0.01 0.54 -0.75 4.35 4.15 1xm9A1 LEU 623 HB2 0.01 0.16 -0.27 -0.04 1.64 1.50 1xm9A1 LEU 623 HB3 0.03 0.12 -0.02 -0.04 1.64 1.73 1xm9A1 LEU 623 HG -0.02 -0.02 0.07 -0.04 1.64 1.63 1xm9A1 LEU 623 HD13 -0.01 -0.00 -0.14 -0.04 0.93 0.74 1xm9A1 LEU 623 HD23 -0.02 -0.01 -0.08 -0.04 0.89 0.73 1xm9A1 THR 624 H 0.06 0.15 0.27 -0.55 8.28 8.21 1xm9A1 THR 624 HA 0.03 0.24 0.81 -0.75 4.39 4.72 1xm9A1 THR 624 HB 0.04 -0.15 0.05 -0.04 4.32 4.22 1xm9A1 THR 624 HG23 0.06 0.09 -0.08 -0.04 1.22 1.25 1xm9A1 SER 625 H 0.10 -0.06 0.20 -0.55 8.46 8.15 1xm9A1 SER 625 HA 0.04 0.22 0.95 -0.75 4.49 4.95 1xm9A1 SER 625 HB2 0.17 0.03 0.11 -0.04 3.95 4.22 1xm9A1 SER 625 HB3 0.06 -0.06 0.02 -0.04 3.93 3.90 1xm9A1 HIS 626 H 0.25 0.07 -0.06 -0.55 8.41 8.12 1xm9A1 HIS 626 HA 0.01 -0.06 0.54 -0.75 4.63 4.36 1xm9A1 HIS 626 HB2 0.01 0.18 0.02 -0.04 3.26 3.43 1xm9A1 HIS 626 HB3 0.00 -0.05 -0.01 -0.04 3.20 3.10 1xm9A1 HIS 626 HD2 0.01 -0.18 0.03 -0.04 6.97 6.78 1xm9A1 HIS 626 HE1 0.01 0.10 -0.03 -0.04 7.75 7.79 1xm9A1 THR 627 H -0.05 0.14 0.24 -0.55 8.28 8.06 1xm9A1 THR 627 HA 0.01 0.22 0.33 -0.75 4.39 4.20 1xm9A1 THR 627 HB -0.01 0.03 -0.04 -0.04 4.32 4.26 1xm9A1 THR 627 HG23 -0.02 0.07 0.04 -0.04 1.22 1.27 1xm9A1 GLY 628 H -0.00 -0.11 -0.16 -0.55 8.43 7.61 1xm9A1 GLY 628 HA2 0.03 -0.14 -0.02 -0.51 4.01 3.36 1xm9A1 GLY 628 HA3 0.01 0.26 0.52 -0.51 4.01 4.29 1xm9A1 ASN 629 H -0.02 -0.09 0.05 -0.55 8.53 7.92 1xm9A1 ASN 629 HA -0.01 0.33 0.76 -0.75 4.76 5.08 1xm9A1 ASN 629 HB2 -0.02 0.05 0.09 -0.04 2.88 2.96 1xm9A1 ASN 629 HB3 -0.02 0.05 -0.09 -0.04 2.79 2.69 1xm9A1 ASN 629 HD21 -0.07 0.03 0.01 -0.04 7.03 6.95 1xm9A1 ASN 629 HD22 -0.05 0.03 -0.00 -0.04 7.74 7.68 1xm9A1 THR 630 H -0.01 -0.09 0.00 -0.55 8.28 7.64 1xm9A1 THR 630 HA -0.01 0.32 0.85 -0.75 4.39 4.79 1xm9A1 THR 630 HB 0.00 -0.39 0.09 -0.04 4.32 3.98 1xm9A1 THR 630 HG23 0.00 -0.09 0.13 -0.04 1.22 1.22 1xm9A1 SER 631 H 0.00 0.20 0.15 -0.55 8.46 8.26 1xm9A1 SER 631 HA 0.00 0.19 0.42 -0.75 4.49 4.35 1xm9A1 SER 631 HB2 -0.00 0.07 0.12 -0.04 3.95 4.09 1xm9A1 SER 631 HB3 0.00 -0.06 0.10 -0.04 3.93 3.93 1xm9A1 ASN 632 H 0.01 -0.01 -0.15 -0.55 8.53 7.84 1xm9A1 ASN 632 HA 0.02 0.24 0.55 -0.75 4.76 4.82 1xm9A1 ASN 632 HB2 0.03 -0.09 0.09 -0.04 2.88 2.87 1xm9A1 ASN 632 HB3 0.05 0.10 -0.09 -0.04 2.79 2.81 1xm9A1 ASN 632 HD21 0.02 0.04 -0.13 -0.04 7.03 6.91 1xm9A1 ASN 632 HD22 0.03 -0.11 -0.19 -0.04 7.74 7.43 1xm9A1 SER 633 H 0.05 0.05 -0.04 -0.55 8.46 7.96 1xm9A1 SER 633 HA 0.22 0.11 0.30 -0.75 4.49 4.36 1xm9A1 SER 633 HB2 0.01 0.07 0.13 -0.04 3.95 4.12 1xm9A1 SER 633 HB3 0.02 -0.19 0.09 -0.04 3.93 3.81 1xm9A1 GLU 634 H 0.03 0.27 -0.74 -0.55 8.60 7.62 1xm9A1 GLU 634 HA 0.02 0.07 0.45 -0.75 4.29 4.08 1xm9A1 GLU 634 HB2 0.01 0.17 0.03 -0.04 2.09 2.25 1xm9A1 GLU 634 HB3 0.01 0.09 -0.04 -0.04 1.99 2.01 1xm9A1 GLU 634 HG2 0.00 -0.14 0.06 -0.04 2.34 2.22 1xm9A1 GLU 634 HG3 0.01 0.08 0.09 -0.04 2.34 2.48 1xm9A1 ASP 635 H 0.03 0.66 -0.10 -0.55 8.40 8.44 1xm9A1 ASP 635 HA 0.01 0.08 0.51 -0.75 4.63 4.47 1xm9A1 ASP 635 HB2 0.02 0.14 0.29 -0.04 2.71 3.12 1xm9A1 ASP 635 HB3 0.01 -0.02 -0.10 -0.04 2.70 2.55 1xm9A1 ILE 636 H 0.04 0.27 -0.08 -0.55 8.25 7.94 1xm9A1 ILE 636 HA -0.02 0.08 0.32 -0.75 4.18 3.80 1xm9A1 ILE 636 HB 0.10 -0.11 0.06 -0.04 1.89 1.90 1xm9A1 ILE 636 HG12 -0.01 0.12 -0.25 -0.04 1.49 1.30 1xm9A1 ILE 636 HG13 0.05 -0.07 -0.19 -0.04 1.21 0.95 1xm9A1 ILE 636 HG23 -0.33 0.04 -0.09 -0.04 0.93 0.51 1xm9A1 ILE 636 HD13 0.08 -0.00 -0.10 -0.04 0.88 0.82 1xm9A1 LEU 637 H 0.04 0.47 -0.41 -0.55 8.37 7.92 1xm9A1 LEU 637 HA 0.00 0.13 0.46 -0.75 4.35 4.19 1xm9A1 LEU 637 HB2 0.03 0.00 0.14 -0.04 1.64 1.77 1xm9A1 LEU 637 HB3 0.02 0.05 -0.07 -0.04 1.64 1.60 1xm9A1 LEU 637 HG 0.09 -0.13 -0.02 -0.04 1.64 1.54 1xm9A1 LEU 637 HD13 0.04 0.06 -0.20 -0.04 0.93 0.79 1xm9A1 LEU 637 HD23 0.03 0.04 -0.00 -0.04 0.89 0.92 1xm9A1 SER 638 H 0.01 0.48 -0.06 -0.55 8.46 8.34 1xm9A1 SER 638 HA 0.01 0.01 0.34 -0.75 4.49 4.10 1xm9A1 SER 638 HB2 -0.00 0.05 0.08 -0.04 3.95 4.03 1xm9A1 SER 638 HB3 -0.01 0.04 0.09 -0.04 3.93 4.01 1xm9A1 SER 639 H 0.01 0.28 -0.98 -0.55 8.46 7.22 1xm9A1 SER 639 HA 0.05 0.11 0.86 -0.75 4.49 4.75 1xm9A1 SER 639 HB2 0.00 0.13 -0.04 -0.04 3.95 4.00 1xm9A1 SER 639 HB3 0.01 0.02 -0.23 -0.04 3.93 3.69 1xm9A1 ALA 640 H -0.01 0.75 0.26 -0.55 8.40 8.86 1xm9A1 ALA 640 HA -0.01 -0.04 0.40 -0.75 4.34 3.93 1xm9A1 ALA 640 HB3 -0.03 -0.01 0.17 -0.04 1.41 1.50 1xm9A1 CYS 641 H 0.04 0.23 -0.84 -0.55 8.50 7.38 1xm9A1 CYS 641 HA 0.02 0.14 0.69 -0.75 4.58 4.67 1xm9A1 CYS 641 HB2 0.04 0.02 -0.06 -0.04 2.97 2.93 1xm9A1 CYS 641 HB3 0.03 0.07 -0.16 -0.04 2.97 2.87 1xm9A1 TYR 642 H 0.15 0.33 -0.02 -0.55 8.29 8.20 1xm9A1 TYR 642 HA -0.01 0.01 0.38 -0.75 4.56 4.19 1xm9A1 TYR 642 HB2 -0.01 0.15 0.25 -0.04 3.06 3.41 1xm9A1 TYR 642 HB3 -0.02 0.04 0.20 -0.04 2.98 3.15 1xm9A1 TYR 642 HD2 -0.01 -0.01 -0.05 -0.04 7.15 7.03 1xm9A1 TYR 642 HE2 -0.02 0.01 -0.06 -0.04 6.85 6.74 1xm9A1 THR 643 H 0.08 0.56 -0.23 -0.55 8.28 8.14 1xm9A1 THR 643 HA -0.09 0.05 0.25 -0.75 4.39 3.84 1xm9A1 THR 643 HB -0.03 0.03 -0.04 -0.04 4.32 4.25 1xm9A1 THR 643 HG23 -0.15 -0.02 -0.28 -0.04 1.22 0.73 1xm9A1 VAL 644 H -0.02 0.30 -0.39 -0.55 8.24 7.58 1xm9A1 VAL 644 HA -0.10 -0.06 0.32 -0.75 4.13 3.54 1xm9A1 VAL 644 HB 0.09 0.12 0.11 -0.04 2.12 2.40 1xm9A1 VAL 644 HG13 0.56 -0.03 -0.10 -0.04 0.97 1.36 1xm9A1 VAL 644 HG23 0.09 0.07 0.03 -0.04 0.95 1.11 1xm9A1 ARG 645 H -0.01 0.70 -0.14 -0.55 8.46 8.46 1xm9A1 ARG 645 HA 0.04 0.00 0.34 -0.75 4.34 3.97 1xm9A1 ARG 645 HB2 -0.10 0.11 0.17 -0.04 1.90 2.04 1xm9A1 ARG 645 HB3 -0.05 -0.05 -0.03 -0.04 1.80 1.62 1xm9A1 ARG 645 HG2 0.03 0.04 0.00 -0.04 1.67 1.70 1xm9A1 ARG 645 HG3 0.02 0.08 -0.01 -0.04 1.67 1.71 1xm9A1 ARG 645 HD2 0.03 -0.02 -0.49 -0.04 3.22 2.70 1xm9A1 ARG 645 HD3 0.06 -0.05 -0.14 -0.04 3.22 3.04 1xm9A1 ASN 646 H -0.25 0.70 -0.04 -0.55 8.53 8.39 1xm9A1 ASN 646 HA -0.19 -0.06 0.32 -0.75 4.76 4.08 1xm9A1 ASN 646 HB2 -0.24 0.06 0.06 -0.04 2.88 2.72 1xm9A1 ASN 646 HB3 -0.08 0.27 -0.09 -0.04 2.79 2.86 1xm9A1 ASN 646 HD21 -1.71 -0.11 -0.14 -0.04 7.03 5.02 1xm9A1 ASN 646 HD22 -0.63 -0.01 -0.30 -0.04 7.74 6.76 1xm9A1 LEU 647 H -0.15 0.48 -0.27 -0.55 8.37 7.88 1xm9A1 LEU 647 HA -0.31 0.03 0.53 -0.75 4.35 3.85 1xm9A1 LEU 647 HB2 -0.31 0.24 0.11 -0.04 1.64 1.64 1xm9A1 LEU 647 HB3 -0.15 -0.07 -0.08 -0.04 1.64 1.29 1xm9A1 LEU 647 HG -0.07 -0.01 -0.00 -0.04 1.64 1.52 1xm9A1 LEU 647 HD13 0.03 0.02 -0.08 -0.04 0.93 0.86 1xm9A1 LEU 647 HD23 -0.58 -0.03 -0.18 -0.04 0.89 0.07 1xm9A1 MET 648 H 0.13 0.86 0.09 -0.55 8.47 9.00 1xm9A1 MET 648 HA 0.11 -0.04 0.31 -0.75 4.52 4.14 1xm9A1 MET 648 HB2 0.09 -0.12 -0.01 -0.04 2.15 2.07 1xm9A1 MET 648 HB3 0.28 -0.06 0.05 -0.04 2.03 2.26 1xm9A1 MET 648 HG2 0.16 0.62 0.06 -0.04 2.63 3.42 1xm9A1 MET 648 HG3 0.08 0.06 -0.03 -0.04 2.56 2.64 1xm9A1 MET 648 HE3 0.14 0.02 -0.07 -0.04 2.10 2.15 1xm9A1 ALA 649 H -0.04 0.51 -0.39 -0.55 8.40 7.93 1xm9A1 ALA 649 HA -0.00 -0.02 0.34 -0.75 4.34 3.91 1xm9A1 ALA 649 HB3 -0.06 0.05 0.04 -0.04 1.41 1.40 1xm9A1 SER 650 H -0.14 0.38 -0.30 -0.55 8.46 7.85 1xm9A1 SER 650 HA -0.03 0.06 0.54 -0.75 4.49 4.31 1xm9A1 SER 650 HB2 0.01 -0.11 0.10 -0.04 3.95 3.91 1xm9A1 SER 650 HB3 -0.20 0.04 0.10 -0.04 3.93 3.84 1xm9A1 GLN 651 H -0.02 0.30 -0.38 -0.55 8.47 7.82 1xm9A1 GLN 651 HA -0.02 0.11 0.56 -0.75 4.36 4.25 1xm9A1 GLN 651 HB2 -0.03 -0.14 0.06 -0.04 2.15 2.00 1xm9A1 GLN 651 HB3 0.00 0.15 -0.14 -0.04 2.02 1.99 1xm9A1 GLN 651 HG2 0.03 0.16 -0.01 -0.04 2.40 2.54 1xm9A1 GLN 651 HG3 -0.04 -0.16 0.04 -0.04 2.39 2.19 1xm9A1 GLN 651 HE21 0.10 0.03 -0.23 -0.04 6.97 6.83 1xm9A1 GLN 651 HE22 0.09 0.20 -0.07 -0.04 7.69 7.86 1xm9A1 PRO 652 HA -0.07 0.14 0.41 -0.51 4.44 4.40 1xm9A1 PRO 652 HB2 -0.04 -0.04 0.08 -0.04 2.28 2.23 1xm9A1 PRO 652 HB3 -0.03 0.08 0.03 -0.04 2.02 2.06 1xm9A1 PRO 652 HG2 -0.02 -0.04 0.04 -0.04 2.03 1.97 1xm9A1 PRO 652 HG3 -0.01 0.14 0.03 -0.04 2.03 2.14 1xm9A1 PRO 652 HD2 -0.03 0.02 0.11 -0.04 3.68 3.74 1xm9A1 PRO 652 HD3 -0.02 0.29 -0.06 -0.04 3.65 3.82 1xm9A1 GLN 653 H -0.07 0.14 -0.23 -0.55 8.47 7.77 1xm9A1 GLN 653 HA -0.09 -0.01 0.25 -0.75 4.36 3.76 1xm9A1 GLN 653 HB2 -0.05 -0.01 0.06 -0.04 2.15 2.11 1xm9A1 GLN 653 HB3 -0.07 0.06 -0.08 -0.04 2.02 1.90 1xm9A1 GLN 653 HG2 -0.04 0.02 -0.05 -0.04 2.40 2.29 1xm9A1 GLN 653 HG3 -0.06 -0.01 -0.01 -0.04 2.39 2.27 1xm9A1 GLN 653 HE21 -0.03 0.00 0.01 -0.04 6.97 6.91 1xm9A1 GLN 653 HE22 -0.03 0.01 0.01 -0.04 7.69 7.64 1xm9A1 LEU 654 H -0.20 0.51 -0.39 -0.55 8.37 7.74 1xm9A1 LEU 654 HA -0.24 0.01 0.39 -0.75 4.35 3.76 1xm9A1 LEU 654 HB2 -0.38 0.24 0.10 -0.04 1.64 1.56 1xm9A1 LEU 654 HB3 -1.61 -0.03 -0.03 -0.04 1.64 -0.07 1xm9A1 LEU 654 HG -0.12 0.01 0.02 -0.04 1.64 1.51 1xm9A1 LEU 654 HD13 -0.29 -0.00 0.03 -0.04 0.93 0.62 1xm9A1 LEU 654 HD23 -0.07 -0.02 -0.09 -0.04 0.89 0.67 1xm9A1 ALA 655 H -0.40 0.93 0.04 -0.55 8.40 8.42 1xm9A1 ALA 655 HA -1.62 0.03 0.50 -0.75 4.34 2.49 1xm9A1 ALA 655 HB3 -0.42 -0.00 0.13 -0.04 1.41 1.08 1xm9A1 LYS 656 H -0.20 0.23 -0.06 -0.55 8.42 7.83 1xm9A1 LYS 656 HA -0.07 -0.03 0.27 -0.75 4.32 3.74 1xm9A1 LYS 656 HB2 -0.09 0.17 0.07 -0.04 1.87 1.97 1xm9A1 LYS 656 HB3 -0.06 -0.03 0.06 -0.04 1.79 1.72 1xm9A1 LYS 656 HG2 -0.04 -0.05 0.05 -0.04 1.46 1.37 1xm9A1 LYS 656 HG3 -0.08 0.01 -0.05 -0.04 1.46 1.30 1xm9A1 LYS 656 HD2 -0.05 0.01 0.00 -0.04 1.69 1.61 1xm9A1 LYS 656 HD3 -0.04 -0.01 0.01 -0.04 1.68 1.61 1xm9A1 LYS 656 HE2 -0.04 0.04 0.02 -0.04 2.99 2.98 1xm9A1 LYS 656 HE3 -0.05 -0.04 -0.10 -0.04 2.99 2.75 1xm9A1 GLN 657 H -0.16 0.18 -0.96 -0.55 8.47 6.98 1xm9A1 GLN 657 HA -0.16 0.10 0.71 -0.75 4.36 4.26 1xm9A1 GLN 657 HB2 0.08 0.07 0.00 -0.04 2.15 2.27 1xm9A1 GLN 657 HB3 -0.26 -0.08 0.04 -0.04 2.02 1.67 1xm9A1 GLN 657 HG2 -0.08 -0.10 -0.09 -0.04 2.40 2.09 1xm9A1 GLN 657 HG3 -0.09 0.66 0.07 -0.04 2.39 2.99 1xm9A1 GLN 657 HE21 0.10 -0.02 -0.06 -0.04 6.97 6.95 1xm9A1 GLN 657 HE22 0.05 -0.00 -0.04 -0.04 7.69 7.65 1xm9A1 TYR 658 H -0.05 0.43 0.13 -0.55 8.29 8.25 1xm9A1 TYR 658 HA 0.01 0.22 1.13 -0.75 4.56 5.16 1xm9A1 TYR 658 HB2 -0.09 0.09 0.05 -0.04 3.06 3.07 1xm9A1 TYR 658 HB3 0.11 -0.08 0.04 -0.04 2.98 3.02 1xm9A1 TYR 658 HD2 -0.11 0.13 -0.00 -0.04 7.15 7.13 1xm9A1 TYR 658 HE2 -0.04 -0.04 -0.03 -0.04 6.85 6.70 1xm9A1 PHE 659 H 0.04 0.58 0.11 -0.55 8.34 8.52 1xm9A1 PHE 659 HA 0.08 0.05 0.48 -0.75 4.62 4.47 1xm9A1 PHE 659 HB2 0.03 0.03 0.06 -0.04 3.15 3.23 1xm9A1 PHE 659 HB3 0.05 -0.02 -0.03 -0.04 3.06 3.02 1xm9A1 PHE 659 HD2 0.08 -0.04 -0.15 -0.04 7.28 7.12 1xm9A1 PHE 659 HE2 0.14 0.03 -0.05 -0.04 7.38 7.45 1xm9A1 PHE 659 HZ 0.14 0.03 -0.07 -0.04 7.32 7.39 1xm9A1 SER 660 H 0.17 0.29 0.26 -0.55 8.46 8.63 1xm9A1 SER 660 HA 0.07 0.15 0.43 -0.75 4.49 4.38 1xm9A1 SER 660 HB2 0.04 -0.03 0.09 -0.04 3.95 4.02 1xm9A1 SER 660 HB3 0.07 0.21 0.11 -0.04 3.93 4.28 1xm9A1 SER 661 H 0.04 0.20 0.14 -0.55 8.46 8.29 1xm9A1 SER 661 HA 0.04 0.13 0.31 -0.75 4.49 4.21 1xm9A1 SER 661 HB2 0.02 0.05 0.04 -0.04 3.95 4.02 1xm9A1 SER 661 HB3 0.03 0.07 0.14 -0.04 3.93 4.13 1xm9A1 SER 662 H 0.03 0.08 -0.21 -0.55 8.46 7.81 1xm9A1 SER 662 HA 0.02 0.02 0.45 -0.75 4.49 4.22 1xm9A1 SER 662 HB2 0.02 0.09 0.03 -0.04 3.95 4.05 1xm9A1 SER 662 HB3 0.02 -0.00 0.10 -0.04 3.93 4.01 1xm9A1 MET 663 H 0.04 0.01 -0.12 -0.55 8.47 7.85 1xm9A1 MET 663 HA 0.01 0.07 0.32 -0.75 4.52 4.17 1xm9A1 MET 663 HB2 0.07 -0.11 0.10 -0.04 2.15 2.17 1xm9A1 MET 663 HB3 0.05 0.05 0.03 -0.04 2.03 2.12 1xm9A1 MET 663 HG2 -0.03 0.17 -0.07 -0.04 2.63 2.66 1xm9A1 MET 663 HG3 0.06 0.03 -0.15 -0.04 2.56 2.47 1xm9A1 MET 663 HE3 -0.43 0.03 -0.37 -0.04 2.10 1.28 1xm9A1 LEU 664 H 0.02 0.54 -0.71 -0.55 8.37 7.67 1xm9A1 LEU 664 HA -0.05 0.01 0.27 -0.75 4.35 3.82 1xm9A1 LEU 664 HB2 0.02 0.16 0.12 -0.04 1.64 1.90 1xm9A1 LEU 664 HB3 0.02 -0.10 -0.03 -0.04 1.64 1.49 1xm9A1 LEU 664 HG 0.05 0.16 -0.72 -0.04 1.64 1.10 1xm9A1 LEU 664 HD13 0.07 -0.02 -0.14 -0.04 0.93 0.80 1xm9A1 LEU 664 HD23 0.08 -0.00 -0.41 -0.04 0.89 0.52 1xm9A1 ASN 665 H 0.01 0.51 0.22 -0.55 8.53 8.72 1xm9A1 ASN 665 HA 0.00 -0.03 0.46 -0.75 4.76 4.44 1xm9A1 ASN 665 HB2 0.01 0.01 0.30 -0.04 2.88 3.15 1xm9A1 ASN 665 HB3 0.00 -0.07 0.07 -0.04 2.79 2.75 1xm9A1 ASN 665 HD21 0.01 -0.02 0.01 -0.04 7.03 6.99 1xm9A1 ASN 665 HD22 0.01 -0.02 0.06 -0.04 7.74 7.74 1xm9A1 ASN 666 H 0.00 0.38 0.04 -0.55 8.53 8.40 1xm9A1 ASN 666 HA -0.00 -0.13 0.19 -0.75 4.76 4.06 1xm9A1 ASN 666 HB2 0.00 0.18 -0.02 -0.04 2.88 3.01 1xm9A1 ASN 666 HB3 0.01 -0.05 0.00 -0.04 2.79 2.71 1xm9A1 ASN 666 HD21 0.01 -0.10 0.02 -0.04 7.03 6.92 1xm9A1 ASN 666 HD22 0.01 -0.02 -0.04 -0.04 7.74 7.65 1xm9A1 ILE 667 H -0.03 0.49 -0.56 -0.55 8.25 7.60 1xm9A1 ILE 667 HA -0.03 0.16 1.02 -0.75 4.18 4.58 1xm9A1 ILE 667 HB -0.06 0.06 -0.03 -0.04 1.89 1.82 1xm9A1 ILE 667 HG12 -0.05 -0.13 0.05 -0.04 1.49 1.32 1xm9A1 ILE 667 HG13 -0.08 0.01 -0.03 -0.04 1.21 1.07 1xm9A1 ILE 667 HG23 -0.08 0.04 0.03 -0.04 0.93 0.88 1xm9A1 ILE 667 HD13 -0.07 0.02 -0.34 -0.04 0.88 0.44 1xm9A1 ILE 668 H -0.03 0.56 0.28 -0.55 8.25 8.52 1xm9A1 ILE 668 HA -0.05 0.09 0.41 -0.75 4.18 3.88 1xm9A1 ILE 668 HB -0.02 -0.10 0.21 -0.04 1.89 1.94 1xm9A1 ILE 668 HG12 -0.02 -0.05 0.07 -0.04 1.49 1.44 1xm9A1 ILE 668 HG13 -0.04 0.02 0.09 -0.04 1.21 1.24 1xm9A1 ILE 668 HG23 -0.03 -0.02 -0.09 -0.04 0.93 0.75 1xm9A1 ILE 668 HD13 -0.01 0.06 0.26 -0.04 0.88 1.15 1xm9A1 ASN 669 H -0.02 0.20 -0.04 -0.55 8.53 8.13 1xm9A1 ASN 669 HA -0.01 -0.01 0.29 -0.75 4.76 4.27 1xm9A1 ASN 669 HB2 -0.01 0.08 -0.08 -0.04 2.88 2.83 1xm9A1 ASN 669 HB3 -0.01 -0.04 0.00 -0.04 2.79 2.70 1xm9A1 ASN 669 HD21 -0.00 0.01 -0.05 -0.04 7.03 6.94 1xm9A1 ASN 669 HD22 -0.01 -0.03 -0.02 -0.04 7.74 7.64 1xm9A1 LEU 670 H -0.01 0.16 -0.56 -0.55 8.37 7.41 1xm9A1 LEU 670 HA -0.01 -0.04 0.24 -0.75 4.35 3.78 1xm9A1 LEU 670 HB2 -0.02 0.45 0.01 -0.04 1.64 2.03 1xm9A1 LEU 670 HB3 -0.01 -0.03 -0.15 -0.04 1.64 1.41 1xm9A1 LEU 670 HG -0.01 0.08 0.03 -0.04 1.64 1.70 1xm9A1 LEU 670 HD13 0.00 -0.03 -0.10 -0.04 0.93 0.76 1xm9A1 LEU 670 HD23 -0.00 -0.02 -0.03 -0.04 0.89 0.80 1xm9A1 CYS 671 H -0.03 0.60 -0.24 -0.55 8.50 8.29 1xm9A1 CYS 671 HA -0.02 -0.07 0.31 -0.75 4.58 4.04 1xm9A1 CYS 671 HB2 -0.04 0.01 0.02 -0.04 2.97 2.91 1xm9A1 CYS 671 HB3 -0.04 -0.11 0.05 -0.04 2.97 2.83 1xm9A1 ARG 672 H -0.02 0.80 -0.13 -0.55 8.46 8.56 1xm9A1 ARG 672 HA -0.02 0.01 0.53 -0.75 4.34 4.11 1xm9A1 ARG 672 HB2 -0.01 -0.11 0.19 -0.04 1.90 1.93 1xm9A1 ARG 672 HB3 -0.01 -0.11 0.02 -0.04 1.80 1.66 1xm9A1 ARG 672 HG2 -0.02 -0.03 -0.05 -0.04 1.67 1.53 1xm9A1 ARG 672 HG3 -0.02 0.15 -0.03 -0.04 1.67 1.73 1xm9A1 ARG 672 HD2 -0.01 -0.08 -0.01 -0.04 3.22 3.07 1xm9A1 ARG 672 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.11 1xm9A1 SER 673 H -0.01 0.27 -0.05 -0.55 8.46 8.12 1xm9A1 SER 673 HA -0.01 -0.12 0.30 -0.75 4.49 3.91 1xm9A1 SER 673 HB2 -0.01 -0.04 -0.07 -0.04 3.95 3.79 1xm9A1 SER 673 HB3 -0.01 0.25 0.08 -0.04 3.93 4.21 1xm9A1 SER 674 H -0.01 0.05 0.12 -0.55 8.46 8.07 1xm9A1 SER 674 HA -0.01 0.18 0.49 -0.75 4.49 4.40 1xm9A1 SER 674 HB2 -0.01 0.09 0.15 -0.04 3.95 4.14 1xm9A1 SER 674 HB3 -0.01 -0.07 0.11 -0.04 3.93 3.92 1xm9A1 ALA 675 H -0.01 0.02 -0.58 -0.55 8.40 7.29 1xm9A1 ALA 675 HA -0.01 0.12 0.57 -0.75 4.34 4.27 1xm9A1 ALA 675 HB3 -0.01 -0.00 0.05 -0.04 1.41 1.41 1xm9A1 SER 676 H -0.01 0.33 -0.66 -0.55 8.46 7.58 1xm9A1 SER 676 HA -0.00 0.06 0.53 -0.75 4.49 4.32 1xm9A1 SER 676 HB2 -0.00 0.10 0.03 -0.04 3.95 4.04 1xm9A1 SER 676 HB3 0.00 -0.29 0.18 -0.04 3.93 3.77 1xm9A1 PRO 677 HA -0.01 0.14 0.40 -0.51 4.44 4.46 1xm9A1 PRO 677 HB2 -0.01 -0.04 0.09 -0.04 2.28 2.28 1xm9A1 PRO 677 HB3 -0.01 0.06 0.10 -0.04 2.02 2.13 1xm9A1 PRO 677 HG2 -0.01 0.02 0.07 -0.04 2.03 2.08 1xm9A1 PRO 677 HG3 -0.01 0.14 0.11 -0.04 2.03 2.23 1xm9A1 PRO 677 HD2 -0.01 0.03 0.08 -0.04 3.68 3.75 1xm9A1 PRO 677 HD3 -0.01 0.22 -0.10 -0.04 3.65 3.73 1xm9A1 LYS 678 H -0.01 0.09 -0.20 -0.55 8.42 7.74 1xm9A1 LYS 678 HA -0.01 0.05 0.32 -0.75 4.32 3.93 1xm9A1 LYS 678 HB2 -0.01 -0.02 0.07 -0.04 1.87 1.88 1xm9A1 LYS 678 HB3 -0.00 -0.08 0.06 -0.04 1.79 1.72 1xm9A1 LYS 678 HG2 -0.01 0.10 -0.15 -0.04 1.46 1.37 1xm9A1 LYS 678 HG3 -0.01 0.00 0.00 -0.04 1.46 1.41 1xm9A1 LYS 678 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.58 1xm9A1 LYS 678 HD3 -0.00 -0.06 -0.19 -0.04 1.68 1.39 1xm9A1 LYS 678 HE2 -0.01 0.01 -0.09 -0.04 2.99 2.86 1xm9A1 LYS 678 HE3 -0.02 0.02 -0.04 -0.04 2.99 2.92 1xm9A1 ALA 679 H 0.00 0.05 -0.10 -0.55 8.40 7.80 1xm9A1 ALA 679 HA 0.00 0.00 0.39 -0.75 4.34 3.98 1xm9A1 ALA 679 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 1xm9A1 ALA 680 H -0.01 0.55 -0.10 -0.55 8.40 8.30 1xm9A1 ALA 680 HA -0.01 -0.02 -0.05 -0.75 4.34 3.51 1xm9A1 ALA 680 HB3 -0.01 0.07 0.07 -0.04 1.41 1.49 1xm9A1 GLU 681 H -0.01 0.64 0.02 -0.55 8.60 8.71 1xm9A1 GLU 681 HA -0.01 -0.03 0.35 -0.75 4.29 3.84 1xm9A1 GLU 681 HB2 -0.01 0.06 0.14 -0.04 2.09 2.24 1xm9A1 GLU 681 HB3 -0.01 0.03 0.14 -0.04 1.99 2.11 1xm9A1 GLU 681 HG2 -0.00 -0.03 -0.17 -0.04 2.34 2.10 1xm9A1 GLU 681 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.31 1xm9A1 ALA 682 H -0.00 0.43 -0.06 -0.55 8.40 8.22 1xm9A1 ALA 682 HA 0.02 -0.02 0.42 -0.75 4.34 4.01 1xm9A1 ALA 682 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1xm9A1 ALA 683 H -0.01 0.62 -0.33 -0.55 8.40 8.14 1xm9A1 ALA 683 HA -0.02 0.01 0.46 -0.75 4.34 4.04 1xm9A1 ALA 683 HB3 -0.02 0.04 0.04 -0.04 1.41 1.43 1xm9A1 ARG 684 H -0.03 0.62 0.09 -0.55 8.46 8.59 1xm9A1 ARG 684 HA -0.07 0.08 0.58 -0.75 4.34 4.18 1xm9A1 ARG 684 HB2 -0.07 -0.07 0.08 -0.04 1.90 1.81 1xm9A1 ARG 684 HB3 -0.05 0.02 0.10 -0.04 1.80 1.84 1xm9A1 ARG 684 HG2 -0.03 0.10 0.07 -0.04 1.67 1.78 1xm9A1 ARG 684 HG3 -0.03 -0.01 -0.12 -0.04 1.67 1.47 1xm9A1 ARG 684 HD2 -0.04 -0.06 -0.03 -0.04 3.22 3.05 1xm9A1 ARG 684 HD3 -0.03 0.06 -0.01 -0.04 3.22 3.20 1xm9A1 LEU 685 H -0.02 0.86 0.00 -0.55 8.37 8.67 1xm9A1 LEU 685 HA -0.02 -0.05 0.41 -0.75 4.35 3.94 1xm9A1 LEU 685 HB2 0.01 0.47 0.17 -0.04 1.64 2.24 1xm9A1 LEU 685 HB3 0.03 0.05 -0.04 -0.04 1.64 1.63 1xm9A1 LEU 685 HG 0.01 -0.05 0.03 -0.04 1.64 1.58 1xm9A1 LEU 685 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.80 1xm9A1 LEU 685 HD23 0.04 -0.01 0.01 -0.04 0.89 0.88 1xm9A1 LEU 686 H -0.01 0.35 -0.64 -0.55 8.37 7.52 1xm9A1 LEU 686 HA 0.01 0.03 0.39 -0.75 4.35 4.02 1xm9A1 LEU 686 HB2 0.00 0.14 0.08 -0.04 1.64 1.83 1xm9A1 LEU 686 HB3 -0.03 0.19 0.05 -0.04 1.64 1.80 1xm9A1 LEU 686 HG 0.02 -0.05 0.00 -0.04 1.64 1.57 1xm9A1 LEU 686 HD13 -0.01 -0.04 0.02 -0.04 0.93 0.86 1xm9A1 LEU 686 HD23 -0.08 -0.01 -0.16 -0.04 0.89 0.60 1xm9A1 LEU 687 H -0.06 0.19 -0.59 -0.55 8.37 7.37 1xm9A1 LEU 687 HA -0.07 0.10 0.51 -0.75 4.35 4.13 1xm9A1 LEU 687 HB2 -0.10 0.13 0.11 -0.04 1.64 1.75 1xm9A1 LEU 687 HB3 -0.14 0.09 0.22 -0.04 1.64 1.77 1xm9A1 LEU 687 HG -0.14 -0.01 -0.02 -0.04 1.64 1.42 1xm9A1 LEU 687 HD13 -0.25 -0.02 -0.06 -0.04 0.93 0.56 1xm9A1 LEU 687 HD23 -0.32 -0.01 -0.12 -0.04 0.89 0.40 1xm9A1 SER 688 H -0.10 0.65 0.08 -0.55 8.46 8.54 1xm9A1 SER 688 HA -0.21 0.06 0.39 -0.75 4.49 3.98 1xm9A1 SER 688 HB2 -0.06 -0.04 0.03 -0.04 3.95 3.84 1xm9A1 SER 688 HB3 -0.09 0.04 0.10 -0.04 3.93 3.94 1xm9A1 ASP 689 H -0.01 0.48 -0.27 -0.55 8.40 8.05 1xm9A1 ASP 689 HA 0.05 -0.01 0.38 -0.75 4.63 4.29 1xm9A1 ASP 689 HB2 0.02 0.19 0.16 -0.04 2.71 3.04 1xm9A1 ASP 689 HB3 0.03 0.06 0.00 -0.04 2.70 2.75 1xm9A1 MET 690 H 0.05 0.22 -1.69 -0.55 8.47 6.50 1xm9A1 MET 690 HA 0.16 0.12 0.81 -0.75 4.52 4.86 1xm9A1 MET 690 HB2 0.07 0.40 0.05 -0.04 2.15 2.63 1xm9A1 MET 690 HB3 0.14 0.07 0.09 -0.04 2.03 2.28 1xm9A1 MET 690 HG2 0.23 -0.06 0.06 -0.04 2.63 2.82 1xm9A1 MET 690 HG3 0.18 0.04 -0.00 -0.04 2.56 2.74 1xm9A1 MET 690 HE3 0.19 -0.01 -0.05 -0.04 2.10 2.19 1xm9A1 TRP 691 H 0.25 0.32 -0.07 -0.55 7.97 7.93 1xm9A1 TRP 691 HA 0.02 0.29 0.73 -0.75 4.62 4.90 1xm9A1 TRP 691 HB2 0.01 0.08 0.08 -0.04 3.23 3.36 1xm9A1 TRP 691 HB3 0.01 -0.07 0.20 -0.04 3.23 3.33 1xm9A1 TRP 691 HD1 0.03 0.52 -0.33 -0.04 7.22 7.39 1xm9A1 TRP 691 HE1 0.02 -0.07 -0.04 -0.04 10.20 10.07 1xm9A1 TRP 691 HE3 0.01 -0.02 0.03 -0.04 7.59 7.57 1xm9A1 TRP 691 HZ2 0.01 -0.03 -0.01 -0.04 7.44 7.38 1xm9A1 TRP 691 HZ3 0.01 -0.05 0.00 -0.04 7.13 7.05 1xm9A1 TRP 691 HH2 0.01 -0.04 -0.01 -0.04 7.19 7.11 1xm9A1 SER 692 H 0.17 0.12 -0.13 -0.55 8.46 8.08 1xm9A1 SER 692 HA 0.10 0.13 0.62 -0.75 4.49 4.59 1xm9A1 SER 692 HB2 0.06 -0.03 0.15 -0.04 3.95 4.09 1xm9A1 SER 692 HB3 0.08 0.01 0.07 -0.04 3.93 4.06 1xm9A1 SER 693 H 0.08 0.20 -0.46 -0.55 8.46 7.73 1xm9A1 SER 693 HA 0.02 0.16 0.71 -0.75 4.49 4.63 1xm9A1 SER 693 HB2 0.01 -0.01 0.08 -0.04 3.95 3.99 1xm9A1 SER 693 HB3 0.03 0.11 -0.21 -0.04 3.93 3.83 1xm9A1 LYS 694 H -0.01 0.17 0.12 -0.55 8.42 8.15 1xm9A1 LYS 694 HA -0.05 0.15 0.37 -0.75 4.32 4.04 1xm9A1 LYS 694 HB2 -0.02 0.00 0.16 -0.04 1.87 1.97 1xm9A1 LYS 694 HB3 -0.03 0.01 -0.01 -0.04 1.79 1.71 1xm9A1 LYS 694 HG2 -0.03 0.02 0.04 -0.04 1.46 1.45 1xm9A1 LYS 694 HG3 -0.03 -0.01 0.02 -0.04 1.46 1.40 1xm9A1 LYS 694 HD2 -0.07 0.06 0.16 -0.04 1.69 1.79 1xm9A1 LYS 694 HD3 -0.05 -0.01 0.03 -0.04 1.68 1.61 1xm9A1 LYS 694 HE2 -0.04 -0.02 -0.04 -0.04 2.99 2.85 1xm9A1 LYS 694 HE3 -0.04 0.01 -0.29 -0.04 2.99 2.62 1xm9A1 GLU 695 H -0.02 0.07 -0.20 -0.55 8.60 7.91 1xm9A1 GLU 695 HA -0.04 0.15 0.56 -0.75 4.29 4.21 1xm9A1 GLU 695 HB2 -0.02 0.02 0.02 -0.04 2.09 2.07 1xm9A1 GLU 695 HB3 -0.03 -0.01 0.13 -0.04 1.99 2.04 1xm9A1 GLU 695 HG2 -0.02 0.00 -0.06 -0.04 2.34 2.22 1xm9A1 GLU 695 HG3 -0.02 -0.03 0.05 -0.04 2.34 2.31 1xm9A1 LEU 696 H -0.04 0.45 -0.71 -0.55 8.37 7.52 1xm9A1 LEU 696 HA 0.03 0.05 1.12 -0.75 4.35 4.80 1xm9A1 LEU 696 HB2 0.06 -0.11 -0.09 -0.04 1.64 1.47 1xm9A1 LEU 696 HB3 0.19 0.59 -0.10 -0.04 1.64 2.28 1xm9A1 LEU 696 HG 0.12 0.03 -0.14 -0.04 1.64 1.60 1xm9A1 LEU 696 HD13 0.14 0.02 0.03 -0.04 0.93 1.07 1xm9A1 LEU 696 HD23 0.02 -0.01 -0.45 -0.04 0.89 0.41 1xm9A1 GLN 697 H 0.02 0.10 -0.00 -0.55 8.47 8.04 1xm9A1 GLN 697 HA 0.05 0.08 0.29 -0.75 4.36 4.02 1xm9A1 GLN 697 HB2 -0.59 0.26 0.23 -0.04 2.15 2.01 1xm9A1 GLN 697 HB3 -0.20 -0.08 -0.14 -0.04 2.02 1.55 1xm9A1 GLN 697 HG2 -0.08 0.05 -0.25 -0.04 2.40 2.07 1xm9A1 GLN 697 HG3 -0.16 -0.03 0.01 -0.04 2.39 2.17 1xm9A1 GLN 697 HE21 -0.14 -0.05 -0.03 -0.04 6.97 6.71 1xm9A1 GLN 697 HE22 -0.09 0.05 -0.08 -0.04 7.69 7.53 1xm9A1 GLY 698 H -0.04 0.18 -0.08 -0.55 8.43 7.94 1xm9A1 GLY 698 HA2 -0.02 0.04 0.29 -0.51 4.01 3.81 1xm9A1 GLY 698 HA3 0.01 -0.03 0.36 -0.51 4.01 3.84 1xm9A1 VAL 699 H 0.06 0.02 0.06 -0.55 8.24 7.83 1xm9A1 VAL 699 HA 0.04 0.00 0.34 -0.75 4.13 3.75 1xm9A1 VAL 699 HB 0.12 -0.11 0.16 -0.04 2.12 2.24 1xm9A1 VAL 699 HG13 0.07 0.02 -0.10 -0.04 0.97 0.92 1xm9A1 VAL 699 HG23 0.08 0.02 0.05 -0.04 0.95 1.05 1xm9A1 LEU 700 H 0.11 0.06 -0.02 -0.55 8.37 7.98 1xm9A1 LEU 700 HA 0.08 -0.04 0.14 -0.75 4.35 3.77 1xm9A1 LEU 700 HB2 0.20 0.13 0.02 -0.04 1.64 1.94 1xm9A1 LEU 700 HB3 0.16 -0.02 0.04 -0.04 1.64 1.78 1xm9A1 LEU 700 HG 0.10 -0.05 0.03 -0.04 1.64 1.67 1xm9A1 LEU 700 HD13 0.12 0.02 -0.01 -0.04 0.93 1.01 1xm9A1 LEU 700 HD23 0.06 -0.00 -0.01 -0.04 0.89 0.89