============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 15 1.040 9.454 23.775 90.286 -99.200 -91.000 TRP6 15 1.020 8.712 25.562 88.929 -99.200 -91.000 TYR 18 0.840 3.977 22.973 94.934 -99.200 -91.000 PHE 25 1.000 3.429 17.408 98.869 -99.200 -91.000 HIS 28 0.900 4.343 15.287 104.895 -99.200 -91.000 TRP 29 1.040 2.079 13.598 112.700 -99.200 -91.000 TRP6 29 1.020 0.445 12.616 114.107 -99.200 -91.000 TYR 30 0.840 -1.600 17.393 105.954 -99.200 -91.000 PHE 34 1.000 -7.721 26.262 116.922 -99.200 -91.000 TYR 63 0.840 -9.495 6.199 120.856 -99.200 -91.000 HIS 71 0.900 -23.937 -3.911 103.841 -99.200 -91.000 TRP 91 1.040 -26.560 5.584 108.606 -99.200 -91.000 TRP6 91 1.020 -27.851 5.061 106.687 -99.200 -91.000 TYR 92 0.840 -28.781 1.147 104.069 -99.200 -91.000 HIS 93 0.900 -27.594 -2.561 105.252 -99.200 -91.000 TRP 95 1.040 -22.199 -4.663 108.080 -99.200 -91.000 TRP6 95 1.020 -20.426 -5.199 106.608 -99.200 -91.000 TYR 97 0.840 -17.444 -0.672 110.760 -99.200 -91.000 TRP 99 1.040 -15.606 5.236 118.239 -99.200 -91.000 TRP6 99 1.020 -15.558 6.970 116.630 -99.200 -91.000 TYR 124 0.840 -6.262 7.906 107.656 -99.200 -91.000 PHE 134 1.000 -0.923 19.598 114.935 -99.200 -91.000 TYR 136 0.840 1.349 9.828 109.535 -99.200 -91.000 PHE 153 1.000 2.236 24.517 116.881 -99.200 -91.000 TRP 171 1.040 -2.434 21.568 98.768 -99.200 -91.000 TRP6 171 1.020 -0.156 21.494 99.411 -99.200 -91.000 PHE 179 1.000 8.932 30.937 101.712 -99.200 -91.000 HIS 183 0.900 2.033 38.039 100.898 -99.200 -91.000 TYR 185 0.840 1.058 47.378 95.939 -99.200 -91.000 HIS 187 0.900 -1.146 41.263 103.966 -99.200 -91.000 PHE 204 1.000 10.989 42.766 101.162 -99.200 -91.000 TYR 228 0.840 14.371 29.587 108.523 -99.200 -91.000 HIS 234 0.900 23.383 38.970 100.821 -99.200 -91.000 PHE 239 1.000 10.202 51.024 104.180 -99.200 -91.000 TYR 253 0.840 7.849 55.859 105.413 -99.200 -91.000 TRP 265 1.040 9.202 25.537 108.641 -99.200 -91.000 TRP6 265 1.020 11.437 24.831 108.934 -99.200 -91.000 PHE 275 1.000 2.378 39.832 111.230 -99.200 -91.000 PHE 283 1.000 4.568 29.040 115.582 -99.200 -91.000 TRP 285 1.040 0.019 23.352 110.097 -99.200 -91.000 TRP6 285 1.020 0.469 24.398 112.172 -99.200 -91.000 TYR 286 0.840 -0.905 28.649 104.297 -99.200 -91.000 HIS 294 0.900 -6.920 27.151 101.666 -99.200 -91.000 TYR 295 0.840 -10.514 22.026 107.813 -99.200 -91.000 TYR 296 0.840 -5.453 31.698 106.896 -99.200 -91.000 PHE 297 1.000 -5.455 24.720 113.312 -99.200 -91.000 TYR 313 0.840 -1.034 34.876 123.517 -99.200 -91.000 PHE 317 1.000 -6.187 34.576 119.577 -99.200 -91.000 TRP 321 1.040 -2.151 40.347 120.223 -99.200 -91.000 TRP6 321 1.020 -1.068 42.145 119.131 -99.200 -91.000 PHE 329 1.000 -0.603 41.703 107.677 -99.200 -91.000 TRP 335 1.040 -9.076 40.352 99.211 -99.200 -91.000 TRP6 335 1.020 -7.920 41.381 97.417 -99.200 -91.000 PHE 343 1.000 -2.316 32.122 84.668 -99.200 -91.000 TYR 344 0.840 -1.443 29.293 89.417 -99.200 -91.000 TRP 350 1.040 0.321 24.387 88.723 -99.200 -91.000 TRP6 350 1.020 0.902 25.418 90.772 -99.200 -91.000 PHE 356 1.000 8.235 39.809 90.929 -99.200 -91.000 TRP 365 1.040 6.142 25.653 98.532 -99.200 -91.000 TRP6 365 1.020 5.864 24.103 100.303 -99.200 -91.000 HIS 372 0.900 13.973 16.961 101.168 -99.200 -91.000 HIS 381 0.900 -3.061 7.317 98.073 -99.200 -91.000 HIS 387 0.900 -12.968 -4.801 98.515 -99.200 -91.000 HIS 388 0.900 -14.413 -9.810 94.061 -99.200 -91.000 HIS 389 0.900 -7.255 -5.079 93.508 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ww9A1 MET 1 HA 0.05 -0.12 0.19 -0.75 4.52 3.89 1ww9A1 MET 1 HB2 0.05 -0.03 0.05 -0.04 2.15 2.18 1ww9A1 MET 1 HB3 0.04 -0.03 -0.05 -0.04 2.03 1.95 1ww9A1 MET 1 HG2 0.06 -0.00 0.02 -0.04 2.63 2.66 1ww9A1 MET 1 HG3 0.06 -0.02 0.04 -0.04 2.56 2.60 1ww9A1 MET 1 HE3 0.09 -0.06 0.09 -0.04 2.10 2.19 1ww9A1 ALA 2 H 0.03 0.07 0.08 -0.55 8.40 8.03 1ww9A1 ALA 2 HA 0.02 -0.04 0.41 -0.75 4.34 3.98 1ww9A1 ALA 2 HB3 0.02 0.04 0.04 -0.04 1.41 1.46 1ww9A1 ASN 3 H 0.02 0.01 0.15 -0.55 8.53 8.17 1ww9A1 ASN 3 HA 0.03 0.16 0.89 -0.75 4.76 5.09 1ww9A1 ASN 3 HB2 0.02 0.25 0.20 -0.04 2.88 3.31 1ww9A1 ASN 3 HB3 0.03 -0.09 0.16 -0.04 2.79 2.85 1ww9A1 ASN 3 HD21 0.06 0.37 0.07 -0.04 7.03 7.48 1ww9A1 ASN 3 HD22 0.04 0.30 0.09 -0.04 7.74 8.13 1ww9A1 VAL 4 H 0.02 -0.05 0.16 -0.55 8.24 7.82 1ww9A1 VAL 4 HA 0.04 0.22 0.92 -0.75 4.13 4.55 1ww9A1 VAL 4 HB 0.01 -0.06 -0.05 -0.04 2.12 1.98 1ww9A1 VAL 4 HG13 0.06 0.03 -0.05 -0.04 0.97 0.97 1ww9A1 VAL 4 HG23 0.02 0.07 -0.12 -0.04 0.95 0.88 1ww9A1 ASP 5 H 0.03 0.22 0.11 -0.55 8.40 8.21 1ww9A1 ASP 5 HA 0.02 0.06 0.44 -0.75 4.63 4.39 1ww9A1 ASP 5 HB2 0.02 0.13 0.15 -0.04 2.71 2.97 1ww9A1 ASP 5 HB3 0.03 0.01 0.16 -0.04 2.70 2.86 1ww9A1 GLU 6 H 0.01 0.19 0.24 -0.55 8.60 8.49 1ww9A1 GLU 6 HA 0.01 0.09 0.42 -0.75 4.29 4.06 1ww9A1 GLU 6 HB2 0.01 0.07 0.18 -0.04 2.09 2.31 1ww9A1 GLU 6 HB3 0.01 -0.03 0.16 -0.04 1.99 2.08 1ww9A1 GLU 6 HG2 0.00 0.04 0.01 -0.04 2.34 2.35 1ww9A1 GLU 6 HG3 0.00 -0.00 -0.12 -0.04 2.34 2.18 1ww9A1 ALA 7 H 0.01 0.08 -0.16 -0.55 8.40 7.78 1ww9A1 ALA 7 HA 0.00 0.08 0.30 -0.75 4.34 3.97 1ww9A1 ALA 7 HB3 0.01 0.02 0.03 -0.04 1.41 1.42 1ww9A1 ILE 8 H 0.02 0.17 -0.33 -0.55 8.25 7.56 1ww9A1 ILE 8 HA 0.04 0.06 0.40 -0.75 4.18 3.93 1ww9A1 ILE 8 HB 0.05 0.13 0.08 -0.04 1.89 2.10 1ww9A1 ILE 8 HG12 0.04 -0.03 -0.02 -0.04 1.49 1.43 1ww9A1 ILE 8 HG13 0.04 -0.13 0.06 -0.04 1.21 1.13 1ww9A1 ILE 8 HG23 0.12 0.02 -0.13 -0.04 0.93 0.90 1ww9A1 ILE 8 HD13 0.07 0.04 -0.07 -0.04 0.88 0.87 1ww9A1 LEU 9 H 0.02 0.46 -0.09 -0.55 8.37 8.22 1ww9A1 LEU 9 HA 0.01 0.03 0.29 -0.75 4.35 3.93 1ww9A1 LEU 9 HB2 0.01 0.09 0.07 -0.04 1.64 1.76 1ww9A1 LEU 9 HB3 0.00 -0.05 -0.01 -0.04 1.64 1.54 1ww9A1 LEU 9 HG 0.01 0.12 -0.24 -0.04 1.64 1.49 1ww9A1 LEU 9 HD13 0.01 -0.05 -0.01 -0.04 0.93 0.84 1ww9A1 LEU 9 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.75 1ww9A1 LYS 10 H 0.00 0.46 -0.39 -0.55 8.42 7.94 1ww9A1 LYS 10 HA -0.02 0.01 0.45 -0.75 4.32 4.00 1ww9A1 LYS 10 HB2 -0.01 -0.02 0.05 -0.04 1.87 1.85 1ww9A1 LYS 10 HB3 -0.01 0.15 0.08 -0.04 1.79 1.97 1ww9A1 LYS 10 HG2 -0.02 0.02 -0.10 -0.04 1.46 1.32 1ww9A1 LYS 10 HG3 -0.02 -0.04 0.06 -0.04 1.46 1.42 1ww9A1 LYS 10 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 1ww9A1 LYS 10 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.61 1ww9A1 LYS 10 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 1ww9A1 LYS 10 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 1ww9A1 ARG 11 H 0.00 0.39 -0.24 -0.55 8.46 8.05 1ww9A1 ARG 11 HA -0.03 0.06 0.56 -0.75 4.34 4.18 1ww9A1 ARG 11 HB2 0.03 0.11 0.11 -0.04 1.90 2.11 1ww9A1 ARG 11 HB3 0.01 -0.03 0.13 -0.04 1.80 1.86 1ww9A1 ARG 11 HG2 -0.00 -0.06 0.03 -0.04 1.67 1.60 1ww9A1 ARG 11 HG3 0.00 0.23 0.11 -0.04 1.67 1.98 1ww9A1 ARG 11 HD2 0.01 -0.07 -0.03 -0.04 3.22 3.08 1ww9A1 ARG 11 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.14 1ww9A1 VAL 12 H -0.02 0.28 -0.51 -0.55 8.24 7.44 1ww9A1 VAL 12 HA -0.16 0.26 0.86 -0.75 4.13 4.33 1ww9A1 VAL 12 HB 0.15 -0.09 0.02 -0.04 2.12 2.16 1ww9A1 VAL 12 HG13 0.18 0.04 -0.22 -0.04 0.97 0.93 1ww9A1 VAL 12 HG23 0.03 -0.02 -0.14 -0.04 0.95 0.78 1ww9A1 LYS 13 H -0.12 0.27 -0.41 -0.55 8.42 7.62 1ww9A1 LYS 13 HA -0.10 -0.06 0.36 -0.75 4.32 3.77 1ww9A1 LYS 13 HB2 -0.15 0.00 0.06 -0.04 1.87 1.74 1ww9A1 LYS 13 HB3 -0.11 -0.03 0.02 -0.04 1.79 1.62 1ww9A1 LYS 13 HG2 -0.06 -0.07 0.12 -0.04 1.46 1.41 1ww9A1 LYS 13 HG3 -0.07 0.41 0.16 -0.04 1.46 1.92 1ww9A1 LYS 13 HD2 -0.07 -0.02 0.04 -0.04 1.69 1.60 1ww9A1 LYS 13 HD3 -0.06 -0.06 0.03 -0.04 1.68 1.55 1ww9A1 LYS 13 HE2 -0.04 -0.06 0.06 -0.04 2.99 2.91 1ww9A1 LYS 13 HE3 -0.04 0.15 0.08 -0.04 2.99 3.14 1ww9A1 GLY 14 H -0.09 0.06 0.13 -0.55 8.43 7.99 1ww9A1 GLY 14 HA2 -0.08 0.01 0.43 -0.51 4.01 3.86 1ww9A1 GLY 14 HA3 -0.27 0.23 0.93 -0.51 4.01 4.40 1ww9A1 TRP 15 H -0.26 0.68 -0.12 -0.55 7.97 7.73 1ww9A1 TRP 15 HA -0.07 0.22 0.74 -0.75 4.62 4.75 1ww9A1 TRP 15 HB2 -0.04 0.05 0.01 -0.04 3.23 3.20 1ww9A1 TRP 15 HB3 -0.06 -0.07 0.12 -0.04 3.23 3.18 1ww9A1 TRP 15 HD1 -0.10 0.04 -0.38 -0.04 7.22 6.75 1ww9A1 TRP 15 HE1 -0.03 -0.00 -0.06 -0.04 10.20 10.07 1ww9A1 TRP 15 HE3 0.08 -0.02 -0.02 -0.04 7.59 7.58 1ww9A1 TRP 15 HZ2 0.04 -0.06 -0.03 -0.04 7.44 7.36 1ww9A1 TRP 15 HZ3 0.18 0.15 0.02 -0.04 7.13 7.44 1ww9A1 TRP 15 HH2 0.10 -0.03 -0.03 -0.04 7.19 7.19 1ww9A1 ALA 16 H 0.04 0.03 -0.40 -0.55 8.40 7.52 1ww9A1 ALA 16 HA 0.03 0.03 0.30 -0.75 4.34 3.94 1ww9A1 ALA 16 HB3 0.00 0.03 -0.00 -0.04 1.41 1.40 1ww9A1 PRO 17 HA 0.08 0.02 0.41 -0.51 4.44 4.44 1ww9A1 PRO 17 HB2 0.09 0.05 0.11 -0.04 2.28 2.49 1ww9A1 PRO 17 HB3 0.09 0.06 0.08 -0.04 2.02 2.21 1ww9A1 PRO 17 HG2 0.01 0.22 0.07 -0.04 2.03 2.30 1ww9A1 PRO 17 HG3 0.03 -0.03 0.04 -0.04 2.03 2.03 1ww9A1 PRO 17 HD2 0.07 0.20 -0.09 -0.04 3.68 3.82 1ww9A1 PRO 17 HD3 0.03 -0.02 0.02 -0.04 3.65 3.64 1ww9A1 TYR 18 H 0.18 0.18 -0.23 -0.55 8.29 7.87 1ww9A1 TYR 18 HA 0.12 0.08 0.36 -0.75 4.56 4.37 1ww9A1 TYR 18 HB2 -0.14 0.05 0.08 -0.04 3.06 3.01 1ww9A1 TYR 18 HB3 -0.17 0.10 0.14 -0.04 2.98 3.01 1ww9A1 TYR 18 HD2 -0.31 0.03 -0.09 -0.04 7.15 6.73 1ww9A1 TYR 18 HE2 -0.17 -0.00 -0.08 -0.04 6.85 6.55 1ww9A1 VAL 19 H -0.07 0.65 -0.09 -0.55 8.24 8.18 1ww9A1 VAL 19 HA -0.99 0.02 0.38 -0.75 4.13 2.79 1ww9A1 VAL 19 HB -0.14 0.07 0.02 -0.04 2.12 2.03 1ww9A1 VAL 19 HG13 -0.36 -0.03 -0.13 -0.04 0.97 0.41 1ww9A1 VAL 19 HG23 -0.38 0.02 -0.05 -0.04 0.95 0.50 1ww9A1 ASP 20 H -0.08 0.46 -0.35 -0.55 8.40 7.89 1ww9A1 ASP 20 HA -0.04 -0.03 0.54 -0.75 4.63 4.34 1ww9A1 ASP 20 HB2 -0.00 0.03 0.09 -0.04 2.71 2.79 1ww9A1 ASP 20 HB3 0.03 0.18 0.09 -0.04 2.70 2.96 1ww9A1 ALA 21 H -0.12 0.33 -0.46 -0.55 8.40 7.61 1ww9A1 ALA 21 HA 0.00 0.11 0.48 -0.75 4.34 4.18 1ww9A1 ALA 21 HB3 -0.18 0.04 0.11 -0.04 1.41 1.34 1ww9A1 LYS 22 H 0.00 0.52 -0.29 -0.55 8.42 8.10 1ww9A1 LYS 22 HA 0.07 0.03 0.37 -0.75 4.32 4.03 1ww9A1 LYS 22 HB2 0.04 0.07 0.06 -0.04 1.87 2.00 1ww9A1 LYS 22 HB3 0.05 0.01 0.09 -0.04 1.79 1.90 1ww9A1 LYS 22 HG2 0.08 -0.09 -0.05 -0.04 1.46 1.36 1ww9A1 LYS 22 HG3 0.09 -0.00 0.13 -0.04 1.46 1.63 1ww9A1 LYS 22 HD2 0.05 0.00 0.04 -0.04 1.69 1.75 1ww9A1 LYS 22 HD3 0.07 -0.05 0.05 -0.04 1.68 1.71 1ww9A1 LYS 22 HE2 0.11 -0.01 0.05 -0.04 2.99 3.10 1ww9A1 LYS 22 HE3 0.07 0.05 0.02 -0.04 2.99 3.08 1ww9A1 LEU 23 H 0.05 0.21 -0.19 -0.55 8.37 7.90 1ww9A1 LEU 23 HA 0.03 0.05 0.56 -0.75 4.35 4.24 1ww9A1 LEU 23 HB2 0.00 0.24 -0.08 -0.04 1.64 1.76 1ww9A1 LEU 23 HB3 -0.04 0.04 -0.08 -0.04 1.64 1.52 1ww9A1 LEU 23 HG 0.01 -0.09 -0.14 -0.04 1.64 1.37 1ww9A1 LEU 23 HD13 0.04 0.00 -0.18 -0.04 0.93 0.75 1ww9A1 LEU 23 HD23 0.03 0.03 -0.26 -0.04 0.89 0.65 1ww9A1 GLY 24 H 0.05 0.29 -0.42 -0.55 8.43 7.81 1ww9A1 GLY 24 HA2 -0.98 0.06 0.34 -0.51 4.01 2.92 1ww9A1 GLY 24 HA3 -0.67 0.17 0.76 -0.51 4.01 3.76 1ww9A1 PHE 25 H -0.34 0.18 0.20 -0.55 8.34 7.83 1ww9A1 PHE 25 HA 0.03 0.20 1.06 -0.75 4.62 5.16 1ww9A1 PHE 25 HB2 -0.02 -0.03 0.20 -0.04 3.15 3.25 1ww9A1 PHE 25 HB3 0.22 0.04 0.07 -0.04 3.06 3.35 1ww9A1 PHE 25 HD2 0.08 0.11 0.04 -0.04 7.28 7.47 1ww9A1 PHE 25 HE2 0.26 -0.02 -0.09 -0.04 7.38 7.49 1ww9A1 PHE 25 HZ 0.22 -0.09 -0.16 -0.04 7.32 7.24 1ww9A1 ARG 26 H 0.12 0.26 -0.03 -0.55 8.46 8.26 1ww9A1 ARG 26 HA -0.05 0.16 0.52 -0.75 4.34 4.21 1ww9A1 ARG 26 HB2 -0.22 -0.07 -0.13 -0.04 1.90 1.43 1ww9A1 ARG 26 HB3 -0.11 -0.03 -0.20 -0.04 1.80 1.42 1ww9A1 ARG 26 HG2 -0.17 -0.03 0.06 -0.04 1.67 1.49 1ww9A1 ARG 26 HG3 -0.22 0.11 0.02 -0.04 1.67 1.54 1ww9A1 ARG 26 HD2 -0.89 -0.05 -0.06 -0.04 3.22 2.18 1ww9A1 ARG 26 HD3 -0.29 -0.00 -0.07 -0.04 3.22 2.81 1ww9A1 ASN 27 H -0.27 0.61 0.39 -0.55 8.53 8.71 1ww9A1 ASN 27 HA -0.66 -0.07 0.21 -0.75 4.76 3.48 1ww9A1 ASN 27 HB2 -0.13 0.32 0.07 -0.04 2.88 3.10 1ww9A1 ASN 27 HB3 -0.05 -0.02 0.20 -0.04 2.79 2.88 1ww9A1 ASN 27 HD21 -0.01 -0.15 -0.03 -0.04 7.03 6.80 1ww9A1 ASN 27 HD22 -0.03 0.58 -0.04 -0.04 7.74 8.21 1ww9A1 HIS 28 H -0.24 0.27 -0.05 -0.55 8.41 7.84 1ww9A1 HIS 28 HA 0.03 0.14 0.66 -0.75 4.63 4.71 1ww9A1 HIS 28 HB2 -0.22 0.09 -0.07 -0.04 3.26 3.01 1ww9A1 HIS 28 HB3 -0.32 0.07 0.03 -0.04 3.20 2.93 1ww9A1 HIS 28 HD2 0.12 0.15 -0.43 -0.04 6.97 6.76 1ww9A1 HIS 28 HE1 0.04 0.09 -0.02 -0.04 7.75 7.82 1ww9A1 TRP 29 H 0.32 0.16 0.09 -0.55 7.97 7.99 1ww9A1 TRP 29 HA 0.11 0.15 0.62 -0.75 4.62 4.74 1ww9A1 TRP 29 HB2 -0.02 0.05 0.03 -0.04 3.23 3.25 1ww9A1 TRP 29 HB3 0.05 -0.04 -0.20 -0.04 3.23 2.99 1ww9A1 TRP 29 HD1 0.02 0.03 -0.15 -0.04 7.22 7.08 1ww9A1 TRP 29 HE1 -0.18 0.45 -0.32 -0.04 10.20 10.11 1ww9A1 TRP 29 HE3 0.15 -0.05 -0.63 -0.04 7.59 7.01 1ww9A1 TRP 29 HZ2 -0.15 0.08 -0.16 -0.04 7.44 7.16 1ww9A1 TRP 29 HZ3 0.08 0.04 -0.38 -0.04 7.13 6.82 1ww9A1 TRP 29 HH2 -0.01 -0.03 -0.26 -0.04 7.19 6.86 1ww9A1 TYR 30 H 0.34 0.49 0.26 -0.55 8.29 8.83 1ww9A1 TYR 30 HA 0.05 0.23 0.87 -0.75 4.56 4.96 1ww9A1 TYR 30 HB2 -0.06 -0.03 0.07 -0.04 3.06 2.99 1ww9A1 TYR 30 HB3 -0.10 0.06 -0.02 -0.04 2.98 2.88 1ww9A1 TYR 30 HD2 -0.00 -0.02 -0.02 -0.04 7.15 7.06 1ww9A1 TYR 30 HE2 -0.09 0.06 0.02 -0.04 6.85 6.80 1ww9A1 PRO 31 HA -1.20 0.29 0.65 -0.51 4.44 3.68 1ww9A1 PRO 31 HB2 -2.85 -0.02 -0.08 -0.04 2.28 -0.71 1ww9A1 PRO 31 HB3 -2.65 0.02 -0.07 -0.04 2.02 -0.72 1ww9A1 PRO 31 HG2 -1.23 -0.02 0.07 -0.04 2.03 0.82 1ww9A1 PRO 31 HG3 -2.65 0.05 0.00 -0.04 2.03 -0.60 1ww9A1 PRO 31 HD2 -0.40 0.11 0.21 -0.04 3.68 3.55 1ww9A1 PRO 31 HD3 -0.90 0.19 0.05 -0.04 3.65 2.95 1ww9A1 VAL 32 H -0.65 0.43 0.35 -0.55 8.24 7.82 1ww9A1 VAL 32 HA -0.66 0.20 0.92 -0.75 4.13 3.84 1ww9A1 VAL 32 HB -0.31 -0.04 -0.01 -0.04 2.12 1.72 1ww9A1 VAL 32 HG13 -0.15 0.03 -0.31 -0.04 0.97 0.50 1ww9A1 VAL 32 HG23 -0.18 0.02 -0.19 -0.04 0.95 0.56 1ww9A1 MET 33 H -0.47 0.23 0.27 -0.55 8.47 7.96 1ww9A1 MET 33 HA -0.14 0.09 0.38 -0.75 4.52 4.09 1ww9A1 MET 33 HB2 -0.03 -0.04 0.10 -0.04 2.15 2.15 1ww9A1 MET 33 HB3 -0.13 0.20 -0.20 -0.04 2.03 1.87 1ww9A1 MET 33 HG2 -0.13 -0.08 -0.26 -0.04 2.63 2.12 1ww9A1 MET 33 HG3 -0.07 0.01 -0.52 -0.04 2.56 1.94 1ww9A1 MET 33 HE3 -0.02 0.01 -0.24 -0.04 2.10 1.81 1ww9A1 PHE 34 H 0.11 0.18 0.13 -0.55 8.34 8.21 1ww9A1 PHE 34 HA 0.04 0.21 0.95 -0.75 4.62 5.07 1ww9A1 PHE 34 HB2 -0.02 -0.04 0.11 -0.04 3.15 3.17 1ww9A1 PHE 34 HB3 -0.02 0.02 0.12 -0.04 3.06 3.15 1ww9A1 PHE 34 HD2 -0.03 0.09 -0.03 -0.04 7.28 7.26 1ww9A1 PHE 34 HE2 -0.23 -0.02 -0.28 -0.04 7.38 6.80 1ww9A1 PHE 34 HZ -0.68 0.17 -0.20 -0.04 7.32 6.56 1ww9A1 SER 35 H 0.13 0.69 0.06 -0.55 8.46 8.79 1ww9A1 SER 35 HA 0.02 0.07 0.23 -0.75 4.49 4.06 1ww9A1 SER 35 HB2 0.05 -0.01 0.06 -0.04 3.95 4.01 1ww9A1 SER 35 HB3 0.02 0.05 -0.06 -0.04 3.93 3.90 1ww9A1 LYS 36 H 0.09 0.11 -0.23 -0.55 8.42 7.83 1ww9A1 LYS 36 HA 0.02 0.09 0.31 -0.75 4.32 3.99 1ww9A1 LYS 36 HB2 0.01 0.02 0.08 -0.04 1.87 1.93 1ww9A1 LYS 36 HB3 0.01 -0.02 0.07 -0.04 1.79 1.81 1ww9A1 LYS 36 HG2 0.05 -0.08 -0.03 -0.04 1.46 1.36 1ww9A1 LYS 36 HG3 0.03 0.06 -0.25 -0.04 1.46 1.26 1ww9A1 LYS 36 HD2 -0.03 0.01 -0.02 -0.04 1.69 1.61 1ww9A1 LYS 36 HD3 -0.06 -0.01 0.02 -0.04 1.68 1.59 1ww9A1 LYS 36 HE2 -0.23 -0.01 0.02 -0.04 2.99 2.73 1ww9A1 LYS 36 HE3 -0.08 0.01 -0.02 -0.04 2.99 2.86 1ww9A1 GLU 37 H 0.08 0.51 -0.54 -0.55 8.60 8.10 1ww9A1 GLU 37 HA 0.04 0.10 0.58 -0.75 4.29 4.26 1ww9A1 GLU 37 HB2 0.07 0.12 0.06 -0.04 2.09 2.29 1ww9A1 GLU 37 HB3 0.06 -0.00 0.10 -0.04 1.99 2.11 1ww9A1 GLU 37 HG2 0.08 0.04 -0.02 -0.04 2.34 2.40 1ww9A1 GLU 37 HG3 0.16 -0.10 -0.02 -0.04 2.34 2.34 1ww9A1 ILE 38 H 0.02 0.45 -0.26 -0.55 8.25 7.91 1ww9A1 ILE 38 HA 0.01 0.20 0.96 -0.75 4.18 4.59 1ww9A1 ILE 38 HB 0.00 -0.01 -0.20 -0.04 1.89 1.65 1ww9A1 ILE 38 HG12 -0.03 -0.06 -0.42 -0.04 1.49 0.94 1ww9A1 ILE 38 HG13 -0.01 0.23 -0.05 -0.04 1.21 1.33 1ww9A1 ILE 38 HG23 -0.01 -0.02 -0.06 -0.04 0.93 0.81 1ww9A1 ILE 38 HD13 -0.02 -0.05 -0.36 -0.04 0.88 0.40 1ww9A1 ASN 39 H 0.00 0.20 0.06 -0.55 8.53 8.25 1ww9A1 ASN 39 HA -0.01 0.17 0.79 -0.75 4.76 4.96 1ww9A1 ASN 39 HB2 0.00 0.05 -0.00 -0.04 2.88 2.89 1ww9A1 ASN 39 HB3 -0.00 -0.07 0.09 -0.04 2.79 2.76 1ww9A1 ASN 39 HD21 0.01 0.03 -0.05 -0.04 7.03 6.98 1ww9A1 ASN 39 HD22 0.01 0.01 -0.03 -0.04 7.74 7.69 1ww9A1 GLU 40 H -0.01 0.10 0.11 -0.55 8.60 8.25 1ww9A1 GLU 40 HA -0.03 0.07 0.40 -0.75 4.29 3.97 1ww9A1 GLU 40 HB2 -0.01 -0.03 0.12 -0.04 2.09 2.13 1ww9A1 GLU 40 HB3 -0.01 0.02 0.13 -0.04 1.99 2.09 1ww9A1 GLU 40 HG2 -0.01 0.00 0.00 -0.04 2.34 2.30 1ww9A1 GLU 40 HG3 -0.02 0.10 -0.16 -0.04 2.34 2.22 1ww9A1 GLY 41 H -0.08 0.67 0.38 -0.55 8.43 8.86 1ww9A1 GLY 41 HA2 -0.08 -0.01 0.38 -0.51 4.01 3.79 1ww9A1 GLY 41 HA3 -0.02 0.00 0.38 -0.51 4.01 3.86 1ww9A1 GLU 42 H -0.04 0.37 -0.31 -0.55 8.60 8.07 1ww9A1 GLU 42 HA 0.01 0.19 0.95 -0.75 4.29 4.69 1ww9A1 GLU 42 HB2 -0.00 -0.09 0.14 -0.04 2.09 2.10 1ww9A1 GLU 42 HB3 0.01 0.02 0.07 -0.04 1.99 2.06 1ww9A1 GLU 42 HG2 0.01 0.06 -0.18 -0.04 2.34 2.19 1ww9A1 GLU 42 HG3 -0.00 0.21 -0.37 -0.04 2.34 2.14 1ww9A1 PRO 43 HA -0.00 0.26 0.56 -0.51 4.44 4.74 1ww9A1 PRO 43 HB2 0.16 -0.02 -0.04 -0.04 2.28 2.34 1ww9A1 PRO 43 HB3 0.28 -0.01 -0.05 -0.04 2.02 2.21 1ww9A1 PRO 43 HG2 0.22 -0.02 -0.04 -0.04 2.03 2.14 1ww9A1 PRO 43 HG3 0.02 -0.02 -0.06 -0.04 2.03 1.92 1ww9A1 PRO 43 HD2 0.07 0.10 0.12 -0.04 3.68 3.93 1ww9A1 PRO 43 HD3 0.01 0.25 -0.41 -0.04 3.65 3.47 1ww9A1 LYS 44 H 0.08 0.58 0.42 -0.55 8.42 8.95 1ww9A1 LYS 44 HA 0.07 0.15 0.93 -0.75 4.32 4.71 1ww9A1 LYS 44 HB2 0.04 -0.06 0.06 -0.04 1.87 1.87 1ww9A1 LYS 44 HB3 0.05 0.04 0.02 -0.04 1.79 1.86 1ww9A1 LYS 44 HG2 0.02 0.16 -0.17 -0.04 1.46 1.43 1ww9A1 LYS 44 HG3 0.02 -0.03 -0.05 -0.04 1.46 1.36 1ww9A1 LYS 44 HD2 0.04 -0.05 0.06 -0.04 1.69 1.70 1ww9A1 LYS 44 HD3 0.04 0.08 0.09 -0.04 1.68 1.85 1ww9A1 LYS 44 HE2 0.03 0.25 0.14 -0.04 2.99 3.37 1ww9A1 LYS 44 HE3 0.03 -0.09 0.06 -0.04 2.99 2.95 1ww9A1 THR 45 H 0.07 0.18 0.20 -0.55 8.28 8.18 1ww9A1 THR 45 HA 0.10 0.36 1.15 -0.75 4.39 5.25 1ww9A1 THR 45 HB 0.08 0.01 0.08 -0.04 4.32 4.45 1ww9A1 THR 45 HG23 0.10 -0.02 -0.10 -0.04 1.22 1.16 1ww9A1 LEU 46 H 0.08 0.57 0.38 -0.55 8.37 8.85 1ww9A1 LEU 46 HA 0.10 0.05 0.47 -0.75 4.35 4.22 1ww9A1 LEU 46 HB2 0.20 0.03 0.03 -0.04 1.64 1.86 1ww9A1 LEU 46 HB3 0.10 0.13 -0.16 -0.04 1.64 1.68 1ww9A1 LEU 46 HG 0.07 -0.05 -0.20 -0.04 1.64 1.43 1ww9A1 LEU 46 HD13 0.06 0.01 -0.39 -0.04 0.93 0.56 1ww9A1 LEU 46 HD23 0.02 0.00 -0.31 -0.04 0.89 0.56 1ww9A1 LYS 47 H 0.08 0.21 0.14 -0.55 8.42 8.29 1ww9A1 LYS 47 HA 0.02 0.35 0.94 -0.75 4.32 4.88 1ww9A1 LYS 47 HB2 0.01 -0.05 -0.11 -0.04 1.87 1.68 1ww9A1 LYS 47 HB3 -0.02 -0.06 0.06 -0.04 1.79 1.72 1ww9A1 LYS 47 HG2 -0.03 0.14 -0.29 -0.04 1.46 1.24 1ww9A1 LYS 47 HG3 -0.01 0.03 -0.55 -0.04 1.46 0.89 1ww9A1 LYS 47 HD2 -0.02 -0.09 -0.15 -0.04 1.69 1.38 1ww9A1 LYS 47 HD3 -0.01 0.00 -0.10 -0.04 1.68 1.53 1ww9A1 LYS 47 HE2 0.01 0.10 -0.18 -0.04 2.99 2.87 1ww9A1 LYS 47 HE3 0.01 -0.06 -0.12 -0.04 2.99 2.78 1ww9A1 LEU 48 H -0.03 0.72 0.21 -0.55 8.37 8.72 1ww9A1 LEU 48 HA -0.07 0.22 0.95 -0.75 4.35 4.71 1ww9A1 LEU 48 HB2 -0.02 -0.03 -0.19 -0.04 1.64 1.36 1ww9A1 LEU 48 HB3 -0.10 -0.01 0.01 -0.04 1.64 1.50 1ww9A1 LEU 48 HG -0.26 0.02 -0.22 -0.04 1.64 1.13 1ww9A1 LEU 48 HD13 -0.27 0.05 0.02 -0.04 0.93 0.69 1ww9A1 LEU 48 HD23 -0.10 -0.01 -0.11 -0.04 0.89 0.63 1ww9A1 LEU 49 H -0.20 0.75 0.18 -0.55 8.37 8.55 1ww9A1 LEU 49 HA -0.20 0.12 0.18 -0.75 4.35 3.70 1ww9A1 LEU 49 HB2 -0.24 0.02 -0.33 -0.04 1.64 1.04 1ww9A1 LEU 49 HB3 -0.17 -0.07 0.18 -0.04 1.64 1.54 1ww9A1 LEU 49 HG -0.32 0.27 0.07 -0.04 1.64 1.63 1ww9A1 LEU 49 HD13 -0.70 0.02 0.04 -0.04 0.93 0.25 1ww9A1 LEU 49 HD23 -0.18 0.01 -0.21 -0.04 0.89 0.47 1ww9A1 GLY 50 H -0.07 0.45 -0.39 -0.55 8.43 7.86 1ww9A1 GLY 50 HA2 -0.02 -0.02 0.31 -0.51 4.01 3.77 1ww9A1 GLY 50 HA3 -0.02 0.03 0.44 -0.51 4.01 3.95 1ww9A1 GLU 51 H -0.05 0.60 -0.50 -0.55 8.60 8.10 1ww9A1 GLU 51 HA 0.02 0.14 0.81 -0.75 4.29 4.50 1ww9A1 GLU 51 HB2 -0.03 0.08 0.04 -0.04 2.09 2.14 1ww9A1 GLU 51 HB3 0.06 -0.01 -0.07 -0.04 1.99 1.94 1ww9A1 GLU 51 HG2 0.04 0.04 -0.11 -0.04 2.34 2.27 1ww9A1 GLU 51 HG3 -0.02 0.12 -0.17 -0.04 2.34 2.23 1ww9A1 ASN 52 H 0.03 0.19 0.17 -0.55 8.53 8.37 1ww9A1 ASN 52 HA 0.04 0.13 0.69 -0.75 4.76 4.86 1ww9A1 ASN 52 HB2 0.04 0.05 0.19 -0.04 2.88 3.11 1ww9A1 ASN 52 HB3 0.05 -0.04 0.06 -0.04 2.79 2.82 1ww9A1 ASN 52 HD21 0.03 -0.02 0.01 -0.04 7.03 7.00 1ww9A1 ASN 52 HD22 0.03 0.05 0.06 -0.04 7.74 7.84 1ww9A1 LEU 53 H 0.06 0.87 0.51 -0.55 8.37 9.28 1ww9A1 LEU 53 HA 0.10 0.07 1.14 -0.75 4.35 4.90 1ww9A1 LEU 53 HB2 0.08 -0.02 -0.07 -0.04 1.64 1.58 1ww9A1 LEU 53 HB3 0.14 0.03 -0.05 -0.04 1.64 1.72 1ww9A1 LEU 53 HG 0.03 0.13 -0.34 -0.04 1.64 1.42 1ww9A1 LEU 53 HD13 -0.04 -0.00 -0.19 -0.04 0.93 0.66 1ww9A1 LEU 53 HD23 0.20 0.03 -0.28 -0.04 0.89 0.80 1ww9A1 LEU 54 H 0.16 0.79 0.35 -0.55 8.37 9.12 1ww9A1 LEU 54 HA 0.18 0.31 1.02 -0.75 4.35 5.11 1ww9A1 LEU 54 HB2 0.14 0.04 -0.03 -0.04 1.64 1.75 1ww9A1 LEU 54 HB3 0.48 -0.01 -0.13 -0.04 1.64 1.93 1ww9A1 LEU 54 HG 0.13 -0.05 -0.19 -0.04 1.64 1.49 1ww9A1 LEU 54 HD13 0.09 -0.03 -0.20 -0.04 0.93 0.75 1ww9A1 LEU 54 HD23 0.23 0.05 -0.17 -0.04 0.89 0.96 1ww9A1 VAL 55 H 0.18 0.65 0.35 -0.55 8.24 8.86 1ww9A1 VAL 55 HA 0.22 0.42 1.14 -0.75 4.13 5.15 1ww9A1 VAL 55 HB 0.06 -0.03 -0.00 -0.04 2.12 2.10 1ww9A1 VAL 55 HG13 0.03 0.01 -0.17 -0.04 0.97 0.80 1ww9A1 VAL 55 HG23 0.10 -0.00 -0.30 -0.04 0.95 0.71 1ww9A1 ASN 56 H -0.10 0.54 0.31 -0.55 8.53 8.75 1ww9A1 ASN 56 HA -0.22 0.17 0.66 -0.75 4.76 4.61 1ww9A1 ASN 56 HB2 -1.35 -0.01 -0.28 -0.04 2.88 1.20 1ww9A1 ASN 56 HB3 -1.57 -0.01 -0.12 -0.04 2.79 1.05 1ww9A1 ASN 56 HD21 -0.36 0.02 -0.08 -0.04 7.03 6.57 1ww9A1 ASN 56 HD22 -1.59 -0.01 -0.15 -0.04 7.74 5.95 1ww9A1 ARG 57 H -0.16 0.19 0.00 -0.55 8.46 7.94 1ww9A1 ARG 57 HA -0.04 0.39 0.69 -0.75 4.34 4.62 1ww9A1 ARG 57 HB2 -0.05 0.11 -0.35 -0.04 1.90 1.58 1ww9A1 ARG 57 HB3 -0.05 -0.06 -0.29 -0.04 1.80 1.36 1ww9A1 ARG 57 HG2 -0.02 -0.27 -0.42 -0.04 1.67 0.92 1ww9A1 ARG 57 HG3 -0.03 0.14 -0.54 -0.04 1.67 1.19 1ww9A1 ARG 57 HD2 -0.02 -0.18 -0.23 -0.04 3.22 2.75 1ww9A1 ARG 57 HD3 -0.01 -0.03 -0.10 -0.04 3.22 3.03 1ww9A1 ILE 58 H 0.09 0.92 0.13 -0.55 8.25 8.85 1ww9A1 ILE 58 HA -0.04 0.06 0.94 -0.75 4.18 4.39 1ww9A1 ILE 58 HB 0.10 0.05 0.05 -0.04 1.89 2.04 1ww9A1 ILE 58 HG12 -0.28 0.06 -0.13 -0.04 1.49 1.11 1ww9A1 ILE 58 HG13 -0.29 -0.13 -0.61 -0.04 1.21 0.14 1ww9A1 ILE 58 HG23 -0.04 -0.00 -0.12 -0.04 0.93 0.72 1ww9A1 ILE 58 HD13 -0.72 0.03 -0.09 -0.04 0.88 0.06 1ww9A1 ASP 59 H 0.00 0.17 0.11 -0.55 8.40 8.14 1ww9A1 ASP 59 HA 0.02 0.04 0.33 -0.75 4.63 4.26 1ww9A1 ASP 59 HB2 0.07 0.20 -0.01 -0.04 2.71 2.93 1ww9A1 ASP 59 HB3 0.04 0.02 0.25 -0.04 2.70 2.97 1ww9A1 GLY 60 H 0.00 0.02 -0.34 -0.55 8.43 7.57 1ww9A1 GLY 60 HA2 -0.01 -0.01 0.20 -0.51 4.01 3.68 1ww9A1 GLY 60 HA3 -0.00 0.12 0.37 -0.51 4.01 3.99 1ww9A1 LYS 61 H 0.03 0.42 -0.68 -0.55 8.42 7.64 1ww9A1 LYS 61 HA -0.08 0.13 0.81 -0.75 4.32 4.43 1ww9A1 LYS 61 HB2 -0.03 0.00 0.01 -0.04 1.87 1.81 1ww9A1 LYS 61 HB3 0.02 0.07 0.06 -0.04 1.79 1.90 1ww9A1 LYS 61 HG2 -0.66 0.18 -0.16 -0.04 1.46 0.78 1ww9A1 LYS 61 HG3 -0.19 -0.05 0.10 -0.04 1.46 1.28 1ww9A1 LYS 61 HD2 -0.04 -0.04 0.02 -0.04 1.69 1.59 1ww9A1 LYS 61 HD3 -0.00 -0.04 -0.01 -0.04 1.68 1.58 1ww9A1 LYS 61 HE2 -0.01 -0.05 0.03 -0.04 2.99 2.91 1ww9A1 LYS 61 HE3 -0.33 0.08 0.03 -0.04 2.99 2.72 1ww9A1 LEU 62 H -0.16 0.13 0.14 -0.55 8.37 7.93 1ww9A1 LEU 62 HA -0.08 0.31 0.87 -0.75 4.35 4.69 1ww9A1 LEU 62 HB2 -0.06 -0.02 -0.04 -0.04 1.64 1.48 1ww9A1 LEU 62 HB3 -0.03 0.04 -0.11 -0.04 1.64 1.51 1ww9A1 LEU 62 HG -0.04 -0.02 -0.11 -0.04 1.64 1.42 1ww9A1 LEU 62 HD13 -0.01 -0.00 -0.20 -0.04 0.93 0.67 1ww9A1 LEU 62 HD23 -0.04 0.01 -0.32 -0.04 0.89 0.50 1ww9A1 TYR 63 H 0.05 0.49 0.37 -0.55 8.29 8.65 1ww9A1 TYR 63 HA 0.13 0.19 0.82 -0.75 4.56 4.95 1ww9A1 TYR 63 HB2 0.03 -0.10 -0.02 -0.04 3.06 2.93 1ww9A1 TYR 63 HB3 0.34 0.14 -0.06 -0.04 2.98 3.36 1ww9A1 TYR 63 HD2 0.02 0.09 -0.13 -0.04 7.15 7.08 1ww9A1 TYR 63 HE2 0.03 0.04 -0.04 -0.04 6.85 6.85 1ww9A1 CYS 64 H 0.31 0.31 0.19 -0.55 8.50 8.76 1ww9A1 CYS 64 HA 0.33 0.34 1.18 -0.75 4.58 5.68 1ww9A1 CYS 64 HB2 0.18 -0.06 -0.18 -0.04 2.97 2.88 1ww9A1 CYS 64 HB3 0.23 0.26 0.13 -0.04 2.97 3.54 1ww9A1 LEU 65 H 0.31 0.63 0.33 -0.55 8.37 9.09 1ww9A1 LEU 65 HA 0.04 0.30 1.01 -0.75 4.35 4.94 1ww9A1 LEU 65 HB2 -0.11 -0.08 -0.03 -0.04 1.64 1.38 1ww9A1 LEU 65 HB3 -0.19 0.06 -0.09 -0.04 1.64 1.38 1ww9A1 LEU 65 HG 0.03 0.01 -0.22 -0.04 1.64 1.43 1ww9A1 LEU 65 HD13 -1.00 -0.03 -0.22 -0.04 0.93 -0.37 1ww9A1 LEU 65 HD23 -0.12 0.03 -0.05 -0.04 0.89 0.72 1ww9A1 LYS 66 H -0.06 0.55 0.23 -0.55 8.42 8.58 1ww9A1 LYS 66 HA 0.08 0.14 0.54 -0.75 4.32 4.33 1ww9A1 LYS 66 HB2 -0.04 0.08 0.17 -0.04 1.87 2.03 1ww9A1 LYS 66 HB3 -0.07 -0.11 0.19 -0.04 1.79 1.77 1ww9A1 LYS 66 HG2 0.00 -0.01 0.02 -0.04 1.46 1.43 1ww9A1 LYS 66 HG3 0.02 0.01 -0.10 -0.04 1.46 1.34 1ww9A1 LYS 66 HD2 0.14 0.09 -0.02 -0.04 1.69 1.85 1ww9A1 LYS 66 HD3 0.16 -0.03 -0.05 -0.04 1.68 1.72 1ww9A1 LYS 66 HE2 0.06 -0.00 0.01 -0.04 2.99 3.02 1ww9A1 LYS 66 HE3 0.13 -0.01 -0.04 -0.04 2.99 3.03 1ww9A1 ASP 67 H 0.05 0.72 0.23 -0.55 8.40 8.86 1ww9A1 ASP 67 HA -0.01 -0.02 0.47 -0.75 4.63 4.32 1ww9A1 ASP 67 HB2 0.07 0.04 -0.35 -0.04 2.71 2.43 1ww9A1 ASP 67 HB3 0.05 0.05 -0.15 -0.04 2.70 2.61 1ww9A1 ARG 68 H -0.08 0.55 -0.23 -0.55 8.46 8.14 1ww9A1 ARG 68 HA -0.01 0.14 0.37 -0.75 4.34 4.09 1ww9A1 ARG 68 HB2 0.00 0.09 -0.23 -0.04 1.90 1.72 1ww9A1 ARG 68 HB3 -0.02 -0.03 -0.07 -0.04 1.80 1.64 1ww9A1 ARG 68 HG2 -0.03 0.03 -0.27 -0.04 1.67 1.37 1ww9A1 ARG 68 HG3 -0.00 0.13 -0.13 -0.04 1.67 1.62 1ww9A1 ARG 68 HD2 0.00 0.01 -0.01 -0.04 3.22 3.18 1ww9A1 ARG 68 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.16 1ww9A1 CYS 69 H -0.05 0.66 0.11 -0.55 8.50 8.67 1ww9A1 CYS 69 HA -0.15 0.07 0.46 -0.75 4.58 4.21 1ww9A1 CYS 69 HB2 -0.10 0.05 0.09 -0.04 2.97 2.97 1ww9A1 CYS 69 HB3 -0.15 -0.16 0.10 -0.04 2.97 2.73 1ww9A1 LEU 70 H 0.08 0.11 0.18 -0.55 8.37 8.19 1ww9A1 LEU 70 HA 0.01 0.24 0.43 -0.75 4.35 4.27 1ww9A1 LEU 70 HB2 0.43 -0.11 0.05 -0.04 1.64 1.97 1ww9A1 LEU 70 HB3 0.22 0.08 0.05 -0.04 1.64 1.94 1ww9A1 LEU 70 HG 0.11 -0.05 0.05 -0.04 1.64 1.70 1ww9A1 LEU 70 HD13 0.30 0.00 -0.20 -0.04 0.93 0.99 1ww9A1 LEU 70 HD23 0.06 0.05 0.02 -0.04 0.89 0.98 1ww9A1 HIS 71 H -0.48 -0.11 -0.24 -0.55 8.41 7.03 1ww9A1 HIS 71 HA -0.75 0.17 0.42 -0.75 4.63 3.72 1ww9A1 HIS 71 HB2 -2.81 -0.02 0.08 -0.04 3.26 0.46 1ww9A1 HIS 71 HB3 -0.93 -0.22 0.14 -0.04 3.20 2.14 1ww9A1 HIS 71 HD2 -0.36 0.07 -0.04 -0.04 6.97 6.60 1ww9A1 HIS 71 HE1 -1.69 0.04 -0.05 -0.04 7.75 6.00 1ww9A1 ARG 72 H -0.41 -0.06 0.01 -0.55 8.46 7.44 1ww9A1 ARG 72 HA -0.28 0.35 0.90 -0.75 4.34 4.56 1ww9A1 ARG 72 HB2 -0.20 -0.12 0.04 -0.04 1.90 1.58 1ww9A1 ARG 72 HB3 -0.15 0.08 0.14 -0.04 1.80 1.83 1ww9A1 ARG 72 HG2 -1.59 -0.14 -0.14 -0.04 1.67 -0.24 1ww9A1 ARG 72 HG3 -0.53 0.02 -0.04 -0.04 1.67 1.08 1ww9A1 ARG 72 HD2 -0.54 0.23 -0.23 -0.04 3.22 2.63 1ww9A1 ARG 72 HD3 -0.67 -0.02 -0.10 -0.04 3.22 2.40 1ww9A1 GLY 73 H -0.15 0.14 -0.33 -0.55 8.43 7.54 1ww9A1 GLY 73 HA2 -0.05 0.26 0.23 -0.51 4.01 3.94 1ww9A1 GLY 73 HA3 -0.03 0.12 0.30 -0.51 4.01 3.88 1ww9A1 VAL 74 H -0.05 -0.14 -0.23 -0.55 8.24 7.27 1ww9A1 VAL 74 HA 0.10 0.23 0.57 -0.75 4.13 4.28 1ww9A1 VAL 74 HB 0.42 0.06 0.05 -0.04 2.12 2.62 1ww9A1 VAL 74 HG13 0.11 0.01 -0.09 -0.04 0.97 0.97 1ww9A1 VAL 74 HG23 -0.27 -0.05 -0.23 -0.04 0.95 0.35 1ww9A1 GLN 75 H 0.18 0.17 0.14 -0.55 8.47 8.41 1ww9A1 GLN 75 HA 0.08 0.28 0.46 -0.75 4.36 4.42 1ww9A1 GLN 75 HB2 0.12 -0.01 0.14 -0.04 2.15 2.36 1ww9A1 GLN 75 HB3 0.11 -0.14 -0.03 -0.04 2.02 1.92 1ww9A1 GLN 75 HG2 0.06 0.34 0.12 -0.04 2.40 2.88 1ww9A1 GLN 75 HG3 0.06 0.03 0.06 -0.04 2.39 2.51 1ww9A1 GLN 75 HE21 0.04 0.01 -0.04 -0.04 6.97 6.95 1ww9A1 GLN 75 HE22 0.06 -0.02 -0.01 -0.04 7.69 7.67 1ww9A1 LEU 76 H 0.08 0.22 -0.05 -0.55 8.37 8.08 1ww9A1 LEU 76 HA 0.23 -0.03 0.36 -0.75 4.35 4.16 1ww9A1 LEU 76 HB2 0.07 0.06 -0.08 -0.04 1.64 1.65 1ww9A1 LEU 76 HB3 0.11 0.03 -0.09 -0.04 1.64 1.64 1ww9A1 LEU 76 HG -0.04 -0.01 -0.05 -0.04 1.64 1.49 1ww9A1 LEU 76 HD13 -0.19 0.04 -0.12 -0.04 0.93 0.62 1ww9A1 LEU 76 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.80 1ww9A1 SER 77 H 0.14 0.08 -0.35 -0.55 8.46 7.78 1ww9A1 SER 77 HA 0.14 0.08 0.18 -0.75 4.49 4.14 1ww9A1 SER 77 HB2 0.09 0.07 -0.02 -0.04 3.95 4.05 1ww9A1 SER 77 HB3 0.12 0.01 -0.06 -0.04 3.93 3.96 1ww9A1 VAL 78 H 0.18 0.31 -0.64 -0.55 8.24 7.55 1ww9A1 VAL 78 HA -0.10 0.05 0.35 -0.75 4.13 3.68 1ww9A1 VAL 78 HB -0.56 -0.01 0.02 -0.04 2.12 1.54 1ww9A1 VAL 78 HG13 -0.57 0.00 -0.08 -0.04 0.97 0.28 1ww9A1 VAL 78 HG23 0.03 -0.01 0.04 -0.04 0.95 0.98 1ww9A1 LYS 79 H -0.04 0.26 -0.37 -0.55 8.42 7.72 1ww9A1 LYS 79 HA -0.07 0.14 0.57 -0.75 4.32 4.21 1ww9A1 LYS 79 HB2 -0.39 0.06 -0.14 -0.04 1.87 1.35 1ww9A1 LYS 79 HB3 -0.26 -0.13 0.09 -0.04 1.79 1.45 1ww9A1 LYS 79 HG2 0.07 0.03 -0.21 -0.04 1.46 1.30 1ww9A1 LYS 79 HG3 -0.04 0.04 0.00 -0.04 1.46 1.42 1ww9A1 LYS 79 HD2 -0.11 -0.00 -0.02 -0.04 1.69 1.51 1ww9A1 LYS 79 HD3 0.07 -0.04 -0.01 -0.04 1.68 1.65 1ww9A1 LYS 79 HE2 0.00 0.02 -0.02 -0.04 2.99 2.95 1ww9A1 LYS 79 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.94 1ww9A1 VAL 80 H 0.07 0.19 -0.02 -0.55 8.24 7.93 1ww9A1 VAL 80 HA 0.19 0.05 0.40 -0.75 4.13 4.02 1ww9A1 VAL 80 HB 0.11 0.03 0.09 -0.04 2.12 2.31 1ww9A1 VAL 80 HG13 0.20 -0.03 -0.19 -0.04 0.97 0.91 1ww9A1 VAL 80 HG23 0.13 0.03 -0.07 -0.04 0.95 1.00 1ww9A1 GLU 81 H 0.18 0.17 0.10 -0.55 8.60 8.50 1ww9A1 GLU 81 HA 0.12 0.21 0.83 -0.75 4.29 4.69 1ww9A1 GLU 81 HB2 0.16 0.30 0.19 -0.04 2.09 2.71 1ww9A1 GLU 81 HB3 0.12 -0.10 0.03 -0.04 1.99 2.00 1ww9A1 GLU 81 HG2 0.12 0.05 -0.07 -0.04 2.34 2.39 1ww9A1 GLU 81 HG3 0.18 0.10 -0.32 -0.04 2.34 2.27 1ww9A1 CYS 82 H 0.14 0.30 -0.05 -0.55 8.50 8.33 1ww9A1 CYS 82 HA 0.20 0.10 0.92 -0.75 4.58 5.04 1ww9A1 CYS 82 HB2 0.15 0.02 0.17 -0.04 2.97 3.28 1ww9A1 CYS 82 HB3 0.21 0.11 0.08 -0.04 2.97 3.33 1ww9A1 LYS 83 H 0.11 0.12 -0.06 -0.55 8.42 8.04 1ww9A1 LYS 83 HA 0.07 0.20 0.64 -0.75 4.32 4.47 1ww9A1 LYS 83 HB2 0.06 -0.04 -0.06 -0.04 1.87 1.79 1ww9A1 LYS 83 HB3 0.05 0.02 0.02 -0.04 1.79 1.83 1ww9A1 LYS 83 HG2 0.07 0.05 -0.20 -0.04 1.46 1.34 1ww9A1 LYS 83 HG3 0.08 0.02 -0.19 -0.04 1.46 1.32 1ww9A1 LYS 83 HD2 0.05 -0.03 -0.07 -0.04 1.69 1.59 1ww9A1 LYS 83 HD3 0.05 0.01 -0.05 -0.04 1.68 1.65 1ww9A1 LYS 83 HE2 0.08 0.01 -0.08 -0.04 2.99 2.96 1ww9A1 LYS 83 HE3 0.06 0.00 -0.06 -0.04 2.99 2.95 1ww9A1 THR 84 H 0.10 0.26 -0.03 -0.55 8.28 8.06 1ww9A1 THR 84 HA 0.05 0.22 0.64 -0.75 4.39 4.55 1ww9A1 THR 84 HB 0.04 -0.02 0.09 -0.04 4.32 4.39 1ww9A1 THR 84 HG23 0.03 0.03 -0.20 -0.04 1.22 1.04 1ww9A1 LYS 85 H 0.05 0.18 0.09 -0.55 8.42 8.18 1ww9A1 LYS 85 HA 0.05 0.15 0.37 -0.75 4.32 4.13 1ww9A1 LYS 85 HB2 0.02 0.04 0.13 -0.04 1.87 2.02 1ww9A1 LYS 85 HB3 0.03 -0.02 0.08 -0.04 1.79 1.83 1ww9A1 LYS 85 HG2 -0.01 0.01 -0.11 -0.04 1.46 1.31 1ww9A1 LYS 85 HG3 -0.01 0.03 0.09 -0.04 1.46 1.53 1ww9A1 LYS 85 HD2 0.00 -0.08 0.02 -0.04 1.69 1.59 1ww9A1 LYS 85 HD3 0.01 0.03 0.03 -0.04 1.68 1.71 1ww9A1 LYS 85 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.96 1ww9A1 LYS 85 HE3 0.01 0.01 -0.06 -0.04 2.99 2.92 1ww9A1 SER 86 H 0.07 0.02 -0.27 -0.55 8.46 7.73 1ww9A1 SER 86 HA 0.10 0.22 0.69 -0.75 4.49 4.75 1ww9A1 SER 86 HB2 0.04 -0.05 0.14 -0.04 3.95 4.04 1ww9A1 SER 86 HB3 0.03 0.02 0.02 -0.04 3.93 3.96 1ww9A1 THR 87 H 0.21 0.40 -0.30 -0.55 8.28 8.05 1ww9A1 THR 87 HA 0.07 0.21 1.14 -0.75 4.39 5.07 1ww9A1 THR 87 HB 0.01 0.05 -0.01 -0.04 4.32 4.33 1ww9A1 THR 87 HG23 0.03 -0.04 -0.35 -0.04 1.22 0.82 1ww9A1 ILE 88 H -0.09 0.57 0.31 -0.55 8.25 8.49 1ww9A1 ILE 88 HA 0.15 0.16 0.80 -0.75 4.18 4.53 1ww9A1 ILE 88 HB -0.12 0.07 -0.14 -0.04 1.89 1.66 1ww9A1 ILE 88 HG12 0.06 -0.03 -0.33 -0.04 1.49 1.15 1ww9A1 ILE 88 HG13 0.17 0.02 -0.13 -0.04 1.21 1.22 1ww9A1 ILE 88 HG23 -0.50 0.00 -0.08 -0.04 0.93 0.31 1ww9A1 ILE 88 HD13 0.10 -0.00 -0.19 -0.04 0.88 0.75 1ww9A1 THR 89 H 0.11 0.93 0.34 -0.55 8.28 9.11 1ww9A1 THR 89 HA 0.07 0.16 0.94 -0.75 4.39 4.80 1ww9A1 THR 89 HB 0.09 0.08 0.11 -0.04 4.32 4.57 1ww9A1 THR 89 HG23 0.07 0.06 -0.22 -0.04 1.22 1.09 1ww9A1 CYS 90 H 0.12 0.62 0.19 -0.55 8.50 8.88 1ww9A1 CYS 90 HA 0.03 0.09 0.48 -0.75 4.58 4.42 1ww9A1 CYS 90 HB2 0.10 0.12 0.17 -0.04 2.97 3.32 1ww9A1 CYS 90 HB3 0.00 -0.24 0.20 -0.04 2.97 2.89 1ww9A1 TRP 91 H -0.11 0.20 0.24 -0.55 7.97 7.76 1ww9A1 TRP 91 HA 0.06 0.15 0.41 -0.75 4.62 4.49 1ww9A1 TRP 91 HB2 0.01 0.01 0.07 -0.04 3.23 3.28 1ww9A1 TRP 91 HB3 0.03 0.36 0.19 -0.04 3.23 3.77 1ww9A1 TRP 91 HD1 0.03 0.31 0.16 -0.04 7.22 7.68 1ww9A1 TRP 91 HE1 -0.01 0.39 0.04 -0.04 10.20 10.58 1ww9A1 TRP 91 HE3 -0.10 0.07 -0.43 -0.04 7.59 7.09 1ww9A1 TRP 91 HZ2 -0.11 -0.02 -0.03 -0.04 7.44 7.24 1ww9A1 TRP 91 HZ3 -0.76 0.04 -0.06 -0.04 7.13 6.31 1ww9A1 TRP 91 HH2 -0.57 0.03 -0.03 -0.04 7.19 6.57 1ww9A1 TYR 92 H -0.90 -0.09 -0.27 -0.55 8.29 6.48 1ww9A1 TYR 92 HA -0.31 0.23 0.53 -0.75 4.56 4.27 1ww9A1 TYR 92 HB2 -1.91 -0.03 0.06 -0.04 3.06 1.14 1ww9A1 TYR 92 HB3 -0.60 -0.16 0.09 -0.04 2.98 2.26 1ww9A1 TYR 92 HD2 -0.40 -0.01 0.01 -0.04 7.15 6.70 1ww9A1 TYR 92 HE2 -0.03 0.04 -0.02 -0.04 6.85 6.79 1ww9A1 HIS 93 H -0.08 -0.05 0.00 -0.55 8.41 7.73 1ww9A1 HIS 93 HA 0.02 0.36 0.86 -0.75 4.63 5.12 1ww9A1 HIS 93 HB2 -0.08 -0.10 0.03 -0.04 3.26 3.07 1ww9A1 HIS 93 HB3 0.03 0.06 0.13 -0.04 3.20 3.37 1ww9A1 HIS 93 HD2 -0.09 0.06 -0.04 -0.04 6.97 6.86 1ww9A1 HIS 93 HE1 -1.59 0.02 -0.07 -0.04 7.75 6.07 1ww9A1 ALA 94 H 0.04 0.23 -0.23 -0.55 8.40 7.90 1ww9A1 ALA 94 HA 0.09 0.39 0.27 -0.75 4.34 4.33 1ww9A1 ALA 94 HB3 0.07 0.01 -0.07 -0.04 1.41 1.39 1ww9A1 TRP 95 H 0.31 -0.05 -0.14 -0.55 7.97 7.53 1ww9A1 TRP 95 HA -0.22 0.13 0.66 -0.75 4.62 4.43 1ww9A1 TRP 95 HB2 -0.04 -0.15 0.16 -0.04 3.23 3.15 1ww9A1 TRP 95 HB3 -0.40 0.08 0.01 -0.04 3.23 2.88 1ww9A1 TRP 95 HD1 -0.15 0.08 -0.20 -0.04 7.22 6.92 1ww9A1 TRP 95 HE1 -0.57 0.07 -0.04 -0.04 10.20 9.61 1ww9A1 TRP 95 HE3 0.02 -0.01 -0.04 -0.04 7.59 7.52 1ww9A1 TRP 95 HZ2 -0.49 0.05 -0.04 -0.04 7.44 6.92 1ww9A1 TRP 95 HZ3 -0.00 0.08 -0.13 -0.04 7.13 7.04 1ww9A1 TRP 95 HH2 -0.10 0.11 -0.08 -0.04 7.19 7.09 1ww9A1 THR 96 H -0.26 0.80 0.48 -0.55 8.28 8.76 1ww9A1 THR 96 HA -0.10 0.26 1.17 -0.75 4.39 4.97 1ww9A1 THR 96 HB -0.12 -0.05 0.11 -0.04 4.32 4.22 1ww9A1 THR 96 HG23 -0.03 -0.01 -0.26 -0.04 1.22 0.88 1ww9A1 TYR 97 H 0.03 0.65 0.38 -0.55 8.29 8.80 1ww9A1 TYR 97 HA -0.07 0.31 1.01 -0.75 4.56 5.06 1ww9A1 TYR 97 HB2 -0.24 -0.03 -0.02 -0.04 3.06 2.74 1ww9A1 TYR 97 HB3 -0.14 0.12 -0.12 -0.04 2.98 2.80 1ww9A1 TYR 97 HD2 -0.04 0.18 -0.07 -0.04 7.15 7.18 1ww9A1 TYR 97 HE2 0.10 -0.04 -0.05 -0.04 6.85 6.82 1ww9A1 ARG 98 H 0.03 0.48 0.15 -0.55 8.46 8.56 1ww9A1 ARG 98 HA 0.00 0.26 0.79 -0.75 4.34 4.63 1ww9A1 ARG 98 HB2 0.02 -0.18 0.16 -0.04 1.90 1.86 1ww9A1 ARG 98 HB3 0.02 -0.03 0.11 -0.04 1.80 1.87 1ww9A1 ARG 98 HG2 -0.00 0.01 -0.04 -0.04 1.67 1.60 1ww9A1 ARG 98 HG3 -0.01 0.13 0.06 -0.04 1.67 1.81 1ww9A1 ARG 98 HD2 -0.01 0.05 -0.02 -0.04 3.22 3.20 1ww9A1 ARG 98 HD3 0.01 -0.02 0.01 -0.04 3.22 3.17 1ww9A1 TRP 99 H 0.17 0.62 0.27 -0.55 7.97 8.48 1ww9A1 TRP 99 HA 0.00 0.09 0.32 -0.75 4.62 4.28 1ww9A1 TRP 99 HB2 -0.29 0.01 0.04 -0.04 3.23 2.95 1ww9A1 TRP 99 HB3 -0.23 0.02 -0.12 -0.04 3.23 2.85 1ww9A1 TRP 99 HD1 -0.04 -0.02 -0.61 -0.04 7.22 6.51 1ww9A1 TRP 99 HE1 0.04 0.18 -0.31 -0.04 10.20 10.06 1ww9A1 TRP 99 HE3 0.11 0.00 -0.26 -0.04 7.59 7.40 1ww9A1 TRP 99 HZ2 0.07 -0.01 -0.18 -0.04 7.44 7.28 1ww9A1 TRP 99 HZ3 0.09 0.11 -0.37 -0.04 7.13 6.92 1ww9A1 TRP 99 HH2 0.07 -0.02 -0.28 -0.04 7.19 6.92 1ww9A1 GLU 100 H 0.01 0.06 -0.09 -0.55 8.60 8.03 1ww9A1 GLU 100 HA 0.12 0.14 0.36 -0.75 4.29 4.15 1ww9A1 GLU 100 HB2 -0.06 -0.00 0.09 -0.04 2.09 2.07 1ww9A1 GLU 100 HB3 0.03 -0.08 0.06 -0.04 1.99 1.95 1ww9A1 GLU 100 HG2 0.09 0.04 -0.25 -0.04 2.34 2.18 1ww9A1 GLU 100 HG3 0.19 0.05 0.03 -0.04 2.34 2.57 1ww9A1 ASP 101 H 0.05 -0.08 -0.20 -0.55 8.40 7.62 1ww9A1 ASP 101 HA 0.07 0.31 0.83 -0.75 4.63 5.09 1ww9A1 ASP 101 HB2 0.03 0.05 0.14 -0.04 2.71 2.89 1ww9A1 ASP 101 HB3 0.05 0.07 -0.10 -0.04 2.70 2.68 1ww9A1 GLY 102 H 0.04 0.35 -0.03 -0.55 8.43 8.23 1ww9A1 GLY 102 HA2 -0.01 0.07 0.33 -0.51 4.01 3.89 1ww9A1 GLY 102 HA3 -0.00 0.33 0.41 -0.51 4.01 4.24 1ww9A1 VAL 103 H 0.03 -0.03 -0.39 -0.55 8.24 7.31 1ww9A1 VAL 103 HA 0.05 0.18 0.58 -0.75 4.13 4.19 1ww9A1 VAL 103 HB 0.00 -0.13 0.05 -0.04 2.12 2.00 1ww9A1 VAL 103 HG13 -0.03 0.03 -0.21 -0.04 0.97 0.72 1ww9A1 VAL 103 HG23 0.01 0.03 -0.03 -0.04 0.95 0.93 1ww9A1 LEU 104 H 0.01 0.66 0.33 -0.55 8.37 8.82 1ww9A1 LEU 104 HA -0.33 0.16 0.62 -0.75 4.35 4.05 1ww9A1 LEU 104 HB2 -0.05 -0.02 0.03 -0.04 1.64 1.56 1ww9A1 LEU 104 HB3 -0.14 -0.02 0.28 -0.04 1.64 1.72 1ww9A1 LEU 104 HG -0.42 -0.07 -0.18 -0.04 1.64 0.94 1ww9A1 LEU 104 HD13 -0.58 0.04 -0.02 -0.04 0.93 0.33 1ww9A1 LEU 104 HD23 -0.66 0.04 -0.15 -0.04 0.89 0.08 1ww9A1 CYS 105 H -0.16 0.46 0.40 -0.55 8.50 8.65 1ww9A1 CYS 105 HA -0.11 0.16 0.80 -0.75 4.58 4.69 1ww9A1 CYS 105 HB2 -0.06 -0.00 0.06 -0.04 2.97 2.93 1ww9A1 CYS 105 HB3 -0.05 -0.01 -0.03 -0.04 2.97 2.84 1ww9A1 ASP 106 H -0.21 0.36 0.20 -0.55 8.40 8.20 1ww9A1 ASP 106 HA -0.15 0.18 0.52 -0.75 4.63 4.42 1ww9A1 ASP 106 HB2 -0.09 -0.08 -0.10 -0.04 2.71 2.40 1ww9A1 ASP 106 HB3 -0.09 -0.02 -0.06 -0.04 2.70 2.49 1ww9A1 ILE 107 H -0.16 0.31 -0.01 -0.55 8.25 7.84 1ww9A1 ILE 107 HA -0.15 0.24 0.80 -0.75 4.18 4.31 1ww9A1 ILE 107 HB -0.28 0.16 0.07 -0.04 1.89 1.80 1ww9A1 ILE 107 HG12 -0.84 -0.04 0.03 -0.04 1.49 0.60 1ww9A1 ILE 107 HG13 -0.54 -0.05 -0.49 -0.04 1.21 0.09 1ww9A1 ILE 107 HG23 -0.13 -0.05 -0.15 -0.04 0.93 0.56 1ww9A1 ILE 107 HD13 -1.16 0.00 -0.08 -0.04 0.88 -0.40 1ww9A1 LEU 108 H -0.02 0.47 0.10 -0.55 8.37 8.38 1ww9A1 LEU 108 HA -0.02 0.06 0.34 -0.75 4.35 3.97 1ww9A1 LEU 108 HB2 0.03 0.01 0.09 -0.04 1.64 1.74 1ww9A1 LEU 108 HB3 0.02 0.05 -0.05 -0.04 1.64 1.62 1ww9A1 LEU 108 HG 0.01 0.02 0.01 -0.04 1.64 1.63 1ww9A1 LEU 108 HD13 -0.01 -0.00 -0.07 -0.04 0.93 0.81 1ww9A1 LEU 108 HD23 0.03 0.01 -0.04 -0.04 0.89 0.85 1ww9A1 THR 109 H 0.04 0.16 -0.29 -0.55 8.28 7.64 1ww9A1 THR 109 HA 0.03 0.13 0.49 -0.75 4.39 4.28 1ww9A1 THR 109 HB 0.07 -0.01 0.09 -0.04 4.32 4.43 1ww9A1 THR 109 HG23 0.09 -0.02 -0.11 -0.04 1.22 1.14 1ww9A1 ASN 110 H -0.05 0.37 -0.53 -0.55 8.53 7.77 1ww9A1 ASN 110 HA -0.04 0.14 0.48 -0.75 4.76 4.59 1ww9A1 ASN 110 HB2 -0.03 0.20 -0.10 -0.04 2.88 2.90 1ww9A1 ASN 110 HB3 -0.10 -0.08 0.07 -0.04 2.79 2.65 1ww9A1 ASN 110 HD21 -0.06 0.04 -0.09 -0.04 7.03 6.88 1ww9A1 ASN 110 HD22 -0.07 0.01 0.00 -0.04 7.74 7.65 1ww9A1 PRO 111 HA -0.10 0.02 0.51 -0.51 4.44 4.36 1ww9A1 PRO 111 HB2 -0.05 0.04 0.10 -0.04 2.28 2.32 1ww9A1 PRO 111 HB3 -0.05 0.01 0.11 -0.04 2.02 2.05 1ww9A1 PRO 111 HG2 -0.04 0.02 -0.02 -0.04 2.03 1.95 1ww9A1 PRO 111 HG3 -0.03 0.06 0.04 -0.04 2.03 2.06 1ww9A1 PRO 111 HD2 -0.03 0.10 0.09 -0.04 3.68 3.79 1ww9A1 PRO 111 HD3 -0.03 0.28 0.03 -0.04 3.65 3.88 1ww9A1 THR 112 H -0.07 0.00 -0.65 -0.55 8.28 7.01 1ww9A1 THR 112 HA -0.07 0.27 0.87 -0.75 4.39 4.70 1ww9A1 THR 112 HB -0.05 0.02 0.10 -0.04 4.32 4.35 1ww9A1 THR 112 HG23 -0.04 0.00 -0.10 -0.04 1.22 1.04 1ww9A1 SER 113 H -0.13 0.44 -0.08 -0.55 8.46 8.14 1ww9A1 SER 113 HA -0.12 0.02 0.39 -0.75 4.49 4.03 1ww9A1 SER 113 HB2 -0.20 0.07 0.16 -0.04 3.95 3.94 1ww9A1 SER 113 HB3 -0.29 0.02 0.11 -0.04 3.93 3.73 1ww9A1 ALA 114 H -0.11 0.12 0.19 -0.55 8.40 8.05 1ww9A1 ALA 114 HA -0.10 0.20 0.46 -0.75 4.34 4.14 1ww9A1 ALA 114 HB3 -0.07 0.01 0.11 -0.04 1.41 1.41 1ww9A1 GLN 115 H -0.23 -0.05 -0.38 -0.55 8.47 7.25 1ww9A1 GLN 115 HA -0.18 0.18 0.44 -0.75 4.36 4.04 1ww9A1 GLN 115 HB2 -0.63 -0.05 -0.05 -0.04 2.15 1.38 1ww9A1 GLN 115 HB3 -0.52 -0.01 -0.04 -0.04 2.02 1.40 1ww9A1 GLN 115 HG2 -0.18 -0.08 -0.04 -0.04 2.40 2.07 1ww9A1 GLN 115 HG3 -0.25 -0.01 -0.03 -0.04 2.39 2.06 1ww9A1 GLN 115 HE21 0.01 0.05 -0.03 -0.04 6.97 6.96 1ww9A1 GLN 115 HE22 0.05 -0.02 -0.03 -0.04 7.69 7.64 1ww9A1 ILE 116 H -0.26 0.25 -0.39 -0.55 8.25 7.30 1ww9A1 ILE 116 HA -0.29 -0.05 0.26 -0.75 4.18 3.35 1ww9A1 ILE 116 HB -0.16 0.16 0.01 -0.04 1.89 1.86 1ww9A1 ILE 116 HG12 -0.31 -0.14 -0.23 -0.04 1.49 0.77 1ww9A1 ILE 116 HG13 -0.32 -0.14 -0.07 -0.04 1.21 0.64 1ww9A1 ILE 116 HG23 -0.15 -0.02 -0.31 -0.04 0.93 0.41 1ww9A1 ILE 116 HD13 -0.17 0.06 -0.04 -0.04 0.88 0.69 1ww9A1 GLY 117 H -0.16 0.62 0.36 -0.55 8.43 8.71 1ww9A1 GLY 117 HA2 -0.08 -0.01 0.41 -0.51 4.01 3.83 1ww9A1 GLY 117 HA3 -0.08 0.07 0.52 -0.51 4.01 4.01 1ww9A1 ARG 118 H -0.12 0.49 -0.41 -0.55 8.46 7.87 1ww9A1 ARG 118 HA -0.04 0.18 0.90 -0.75 4.34 4.62 1ww9A1 ARG 118 HB2 -0.09 0.01 0.04 -0.04 1.90 1.82 1ww9A1 ARG 118 HB3 -0.05 -0.09 0.16 -0.04 1.80 1.78 1ww9A1 ARG 118 HG2 -0.08 0.18 -0.33 -0.04 1.67 1.40 1ww9A1 ARG 118 HG3 -0.07 0.08 -0.00 -0.04 1.67 1.64 1ww9A1 ARG 118 HD2 -0.04 -0.08 -0.01 -0.04 3.22 3.05 1ww9A1 ARG 118 HD3 -0.04 0.08 -0.21 -0.04 3.22 3.01 1ww9A1 GLN 119 H -0.06 0.15 0.06 -0.55 8.47 8.08 1ww9A1 GLN 119 HA 0.03 0.21 0.78 -0.75 4.36 4.63 1ww9A1 GLN 119 HB2 -0.00 -0.10 0.02 -0.04 2.15 2.04 1ww9A1 GLN 119 HB3 0.14 -0.01 0.06 -0.04 2.02 2.16 1ww9A1 GLN 119 HG2 -0.07 0.03 -0.37 -0.04 2.40 1.95 1ww9A1 GLN 119 HG3 0.02 -0.10 -0.06 -0.04 2.39 2.21 1ww9A1 GLN 119 HE21 -0.01 -0.01 0.02 -0.04 6.97 6.93 1ww9A1 GLN 119 HE22 -0.02 -0.07 -0.04 -0.04 7.69 7.51 1ww9A1 LYS 120 H 0.08 0.28 0.13 -0.55 8.42 8.36 1ww9A1 LYS 120 HA 0.10 0.09 0.79 -0.75 4.32 4.55 1ww9A1 LYS 120 HB2 0.03 -0.00 -0.28 -0.04 1.87 1.57 1ww9A1 LYS 120 HB3 0.03 -0.02 -0.02 -0.04 1.79 1.73 1ww9A1 LYS 120 HG2 0.01 0.21 -0.29 -0.04 1.46 1.34 1ww9A1 LYS 120 HG3 0.03 -0.03 -0.18 -0.04 1.46 1.24 1ww9A1 LYS 120 HD2 0.01 -0.08 -0.05 -0.04 1.69 1.53 1ww9A1 LYS 120 HD3 0.01 -0.07 -0.07 -0.04 1.68 1.51 1ww9A1 LYS 120 HE2 0.01 0.23 0.11 -0.04 2.99 3.31 1ww9A1 LYS 120 HE3 0.00 -0.10 0.02 -0.04 2.99 2.87 1ww9A1 LEU 121 H 0.09 0.69 0.26 -0.55 8.37 8.86 1ww9A1 LEU 121 HA -0.06 0.04 0.65 -0.75 4.35 4.22 1ww9A1 LEU 121 HB2 -0.43 -0.11 0.15 -0.04 1.64 1.20 1ww9A1 LEU 121 HB3 -0.20 0.01 0.16 -0.04 1.64 1.57 1ww9A1 LEU 121 HG -0.22 0.06 0.10 -0.04 1.64 1.54 1ww9A1 LEU 121 HD13 -0.26 -0.03 0.13 -0.04 0.93 0.73 1ww9A1 LEU 121 HD23 -0.77 -0.02 -0.01 -0.04 0.89 0.05 1ww9A1 LYS 122 H -0.08 0.09 0.22 -0.55 8.42 8.09 1ww9A1 LYS 122 HA -0.13 0.08 0.49 -0.75 4.32 4.00 1ww9A1 LYS 122 HB2 -0.09 0.01 0.16 -0.04 1.87 1.91 1ww9A1 LYS 122 HB3 -0.12 -0.08 0.15 -0.04 1.79 1.71 1ww9A1 LYS 122 HG2 -0.25 0.00 -0.04 -0.04 1.46 1.13 1ww9A1 LYS 122 HG3 -0.74 0.08 -0.25 -0.04 1.46 0.51 1ww9A1 LYS 122 HD2 -0.24 -0.03 0.14 -0.04 1.69 1.52 1ww9A1 LYS 122 HD3 -0.12 -0.05 0.05 -0.04 1.68 1.52 1ww9A1 LYS 122 HE2 -0.10 -0.04 -0.04 -0.04 2.99 2.76 1ww9A1 LYS 122 HE3 -0.65 0.20 0.02 -0.04 2.99 2.52 1ww9A1 THR 123 H -0.21 0.19 0.25 -0.55 8.28 7.96 1ww9A1 THR 123 HA -0.08 0.19 1.02 -0.75 4.39 4.78 1ww9A1 THR 123 HB 0.07 0.09 0.09 -0.04 4.32 4.53 1ww9A1 THR 123 HG23 0.01 0.00 -0.32 -0.04 1.22 0.87 1ww9A1 TYR 124 H 0.13 0.45 0.20 -0.55 8.29 8.52 1ww9A1 TYR 124 HA 0.03 0.27 0.97 -0.75 4.56 5.07 1ww9A1 TYR 124 HB2 0.04 -0.12 -0.07 -0.04 3.06 2.86 1ww9A1 TYR 124 HB3 -0.01 0.17 -0.05 -0.04 2.98 3.05 1ww9A1 TYR 124 HD2 -0.02 0.09 -0.00 -0.04 7.15 7.17 1ww9A1 TYR 124 HE2 -0.04 -0.02 -0.13 -0.04 6.85 6.61 1ww9A1 PRO 125 HA 0.14 0.04 0.51 -0.51 4.44 4.62 1ww9A1 PRO 125 HB2 -0.18 -0.06 0.04 -0.04 2.28 2.03 1ww9A1 PRO 125 HB3 0.13 0.02 0.09 -0.04 2.02 2.21 1ww9A1 PRO 125 HG2 -0.04 0.10 0.08 -0.04 2.03 2.13 1ww9A1 PRO 125 HG3 0.06 0.01 0.06 -0.04 2.03 2.12 1ww9A1 PRO 125 HD2 0.20 0.28 0.31 -0.04 3.68 4.43 1ww9A1 PRO 125 HD3 0.16 0.19 0.25 -0.04 3.65 4.21 1ww9A1 VAL 126 H 0.18 0.25 0.24 -0.55 8.24 8.36 1ww9A1 VAL 126 HA 0.34 0.30 0.97 -0.75 4.13 4.99 1ww9A1 VAL 126 HB 0.06 0.02 -0.12 -0.04 2.12 2.03 1ww9A1 VAL 126 HG13 0.08 -0.02 -0.24 -0.04 0.97 0.75 1ww9A1 VAL 126 HG23 0.15 0.04 -0.34 -0.04 0.95 0.75 1ww9A1 GLN 127 H 0.29 0.78 0.30 -0.55 8.47 9.30 1ww9A1 GLN 127 HA 0.02 0.12 0.90 -0.75 4.36 4.65 1ww9A1 GLN 127 HB2 -0.09 0.03 -0.23 -0.04 2.15 1.82 1ww9A1 GLN 127 HB3 -0.42 -0.02 -0.05 -0.04 2.02 1.48 1ww9A1 GLN 127 HG2 -0.18 0.09 -0.18 -0.04 2.40 2.09 1ww9A1 GLN 127 HG3 -0.12 0.01 0.07 -0.04 2.39 2.30 1ww9A1 GLN 127 HE21 -0.37 -0.11 -0.06 -0.04 6.97 6.39 1ww9A1 GLN 127 HE22 -0.27 0.08 -0.12 -0.04 7.69 7.35 1ww9A1 GLU 128 H -0.03 0.19 0.19 -0.55 8.60 8.40 1ww9A1 GLU 128 HA 0.05 0.39 1.02 -0.75 4.29 4.99 1ww9A1 GLU 128 HB2 -0.02 -0.00 0.13 -0.04 2.09 2.16 1ww9A1 GLU 128 HB3 0.00 -0.08 -0.06 -0.04 1.99 1.81 1ww9A1 GLU 128 HG2 -0.01 0.02 -0.18 -0.04 2.34 2.14 1ww9A1 GLU 128 HG3 -0.01 -0.04 -0.18 -0.04 2.34 2.07 1ww9A1 ALA 129 H 0.12 0.65 0.24 -0.55 8.40 8.86 1ww9A1 ALA 129 HA -0.03 0.06 0.65 -0.75 4.34 4.27 1ww9A1 ALA 129 HB3 -0.07 0.04 -0.12 -0.04 1.41 1.22 1ww9A1 LYS 130 H -0.04 0.19 0.13 -0.55 8.42 8.14 1ww9A1 LYS 130 HA -0.06 0.08 0.36 -0.75 4.32 3.94 1ww9A1 LYS 130 HB2 -0.06 0.16 -0.11 -0.04 1.87 1.82 1ww9A1 LYS 130 HB3 -0.19 -0.00 0.20 -0.04 1.79 1.76 1ww9A1 LYS 130 HG2 -0.25 -0.16 -0.19 -0.04 1.46 0.82 1ww9A1 LYS 130 HG3 -0.81 0.22 -0.07 -0.04 1.46 0.75 1ww9A1 LYS 130 HD2 -0.23 0.08 0.10 -0.04 1.69 1.60 1ww9A1 LYS 130 HD3 -0.14 -0.15 0.10 -0.04 1.68 1.45 1ww9A1 LYS 130 HE2 -0.18 -0.14 -0.09 -0.04 2.99 2.53 1ww9A1 LYS 130 HE3 -0.30 0.14 -0.03 -0.04 2.99 2.77 1ww9A1 GLY 131 H 0.03 0.03 -0.27 -0.55 8.43 7.67 1ww9A1 GLY 131 HA2 0.05 -0.04 0.26 -0.51 4.01 3.77 1ww9A1 GLY 131 HA3 0.08 0.15 0.43 -0.51 4.01 4.16 1ww9A1 CYS 132 H 0.11 0.42 -0.46 -0.55 8.50 8.03 1ww9A1 CYS 132 HA -0.03 0.11 1.03 -0.75 4.58 4.93 1ww9A1 CYS 132 HB2 0.12 0.13 0.01 -0.04 2.97 3.18 1ww9A1 CYS 132 HB3 -0.61 -0.00 -0.08 -0.04 2.97 2.23 1ww9A1 VAL 133 H -0.32 0.75 0.30 -0.55 8.24 8.41 1ww9A1 VAL 133 HA -0.07 0.16 0.80 -0.75 4.13 4.26 1ww9A1 VAL 133 HB -0.20 -0.08 0.04 -0.04 2.12 1.83 1ww9A1 VAL 133 HG13 -0.05 0.01 -0.31 -0.04 0.97 0.58 1ww9A1 VAL 133 HG23 -0.05 -0.02 -0.37 -0.04 0.95 0.47 1ww9A1 PHE 134 H 0.13 0.83 0.35 -0.55 8.34 9.10 1ww9A1 PHE 134 HA -0.14 0.26 0.81 -0.75 4.62 4.80 1ww9A1 PHE 134 HB2 -0.16 0.02 0.03 -0.04 3.15 3.00 1ww9A1 PHE 134 HB3 0.20 -0.01 -0.23 -0.04 3.06 2.98 1ww9A1 PHE 134 HD2 -0.21 0.04 -0.32 -0.04 7.28 6.75 1ww9A1 PHE 134 HE2 -0.47 0.10 -0.15 -0.04 7.38 6.82 1ww9A1 PHE 134 HZ -0.78 0.01 -0.17 -0.04 7.32 6.34 1ww9A1 ILE 135 H 0.19 0.75 0.30 -0.55 8.25 8.94 1ww9A1 ILE 135 HA 0.27 0.27 1.02 -0.75 4.18 4.99 1ww9A1 ILE 135 HB 0.02 0.01 0.03 -0.04 1.89 1.90 1ww9A1 ILE 135 HG12 0.10 0.05 -0.19 -0.04 1.49 1.41 1ww9A1 ILE 135 HG13 0.02 -0.09 -0.39 -0.04 1.21 0.72 1ww9A1 ILE 135 HG23 -0.03 0.02 -0.35 -0.04 0.93 0.53 1ww9A1 ILE 135 HD13 0.02 -0.01 -0.22 -0.04 0.88 0.63 1ww9A1 TYR 136 H -0.11 0.66 0.07 -0.55 8.29 8.36 1ww9A1 TYR 136 HA -0.64 0.15 0.61 -0.75 4.56 3.93 1ww9A1 TYR 136 HB2 -2.92 -0.05 -0.08 -0.04 3.06 -0.04 1ww9A1 TYR 136 HB3 -0.74 0.02 0.17 -0.04 2.98 2.38 1ww9A1 TYR 136 HD2 -0.89 -0.02 -0.30 -0.04 7.15 5.91 1ww9A1 TYR 136 HE2 -0.23 0.15 -0.48 -0.04 6.85 6.24 1ww9A1 LEU 137 H -0.27 0.47 0.12 -0.55 8.37 8.15 1ww9A1 LEU 137 HA -0.84 0.09 0.53 -0.75 4.35 3.37 1ww9A1 LEU 137 HB2 -0.21 0.02 0.03 -0.04 1.64 1.45 1ww9A1 LEU 137 HB3 -0.18 -0.01 0.23 -0.04 1.64 1.64 1ww9A1 LEU 137 HG -0.31 0.02 -0.14 -0.04 1.64 1.16 1ww9A1 LEU 137 HD13 -0.33 -0.00 -0.15 -0.04 0.93 0.40 1ww9A1 LEU 137 HD23 -0.84 0.00 -0.11 -0.04 0.89 -0.10 1ww9A1 GLY 138 H -0.21 0.62 0.16 -0.55 8.43 8.45 1ww9A1 GLY 138 HA2 -0.19 0.01 0.51 -0.51 4.01 3.82 1ww9A1 GLY 138 HA3 -0.64 0.03 0.27 -0.51 4.01 3.15 1ww9A1 ASP 139 H 0.02 0.16 0.15 -0.55 8.40 8.18 1ww9A1 ASP 139 HA 0.09 0.20 0.95 -0.75 4.63 5.12 1ww9A1 ASP 139 HB2 0.05 0.01 0.03 -0.04 2.71 2.76 1ww9A1 ASP 139 HB3 0.05 -0.04 0.09 -0.04 2.70 2.76 1ww9A1 GLY 140 H 0.05 0.06 0.14 -0.55 8.43 8.13 1ww9A1 GLY 140 HA2 0.03 -0.05 0.35 -0.51 4.01 3.83 1ww9A1 GLY 140 HA3 0.04 0.12 0.48 -0.51 4.01 4.14 1ww9A1 ASP 141 H -0.00 0.02 0.12 -0.55 8.40 8.00 1ww9A1 ASP 141 HA -0.04 0.06 0.41 -0.75 4.63 4.31 1ww9A1 ASP 141 HB2 -0.02 -0.02 0.09 -0.04 2.71 2.72 1ww9A1 ASP 141 HB3 -0.03 0.08 0.01 -0.04 2.70 2.73 1ww9A1 PRO 142 HA -0.94 0.16 0.42 -0.51 4.44 3.58 1ww9A1 PRO 142 HB2 -0.45 0.09 -0.07 -0.04 2.28 1.81 1ww9A1 PRO 142 HB3 -1.32 0.02 0.01 -0.04 2.02 0.69 1ww9A1 PRO 142 HG2 0.03 -0.02 0.01 -0.04 2.03 2.02 1ww9A1 PRO 142 HG3 -0.02 -0.04 0.03 -0.04 2.03 1.96 1ww9A1 PRO 142 HD2 -0.05 -0.03 0.20 -0.04 3.68 3.76 1ww9A1 PRO 142 HD3 -0.12 0.21 0.19 -0.04 3.65 3.89 1ww9A1 PRO 143 HA -0.00 0.08 0.48 -0.51 4.44 4.49 1ww9A1 PRO 143 HB2 0.06 0.05 0.07 -0.04 2.28 2.42 1ww9A1 PRO 143 HB3 0.00 0.03 0.06 -0.04 2.02 2.07 1ww9A1 PRO 143 HG2 0.27 -0.00 -0.20 -0.04 2.03 2.06 1ww9A1 PRO 143 HG3 0.07 0.11 -0.02 -0.04 2.03 2.15 1ww9A1 PRO 143 HD2 -0.91 0.01 0.04 -0.04 3.68 2.78 1ww9A1 PRO 143 HD3 -0.28 0.22 0.09 -0.04 3.65 3.63 1ww9A1 PRO 144 HA -0.05 0.06 0.43 -0.51 4.44 4.36 1ww9A1 PRO 144 HB2 -0.05 -0.05 0.04 -0.04 2.28 2.17 1ww9A1 PRO 144 HB3 -0.07 -0.01 0.09 -0.04 2.02 1.98 1ww9A1 PRO 144 HG2 -0.02 0.06 0.07 -0.04 2.03 2.10 1ww9A1 PRO 144 HG3 -0.02 0.06 0.05 -0.04 2.03 2.08 1ww9A1 PRO 144 HD2 0.01 0.15 0.18 -0.04 3.68 3.99 1ww9A1 PRO 144 HD3 0.01 0.15 0.18 -0.04 3.65 3.95 1ww9A1 LEU 145 H -0.37 0.14 0.10 -0.55 8.37 7.69 1ww9A1 LEU 145 HA -1.01 0.14 0.26 -0.75 4.35 2.99 1ww9A1 LEU 145 HB2 -1.21 0.05 -0.01 -0.04 1.64 0.43 1ww9A1 LEU 145 HB3 -0.56 -0.07 -0.01 -0.04 1.64 0.96 1ww9A1 LEU 145 HG -0.70 0.00 -0.36 -0.04 1.64 0.54 1ww9A1 LEU 145 HD13 -1.38 0.01 -0.15 -0.04 0.93 -0.63 1ww9A1 LEU 145 HD23 -0.85 -0.00 -0.20 -0.04 0.89 -0.20 1ww9A1 ALA 146 H -0.21 0.02 -0.35 -0.55 8.40 7.31 1ww9A1 ALA 146 HA -0.17 0.04 0.19 -0.75 4.34 3.65 1ww9A1 ALA 146 HB3 -0.11 -0.01 -0.04 -0.04 1.41 1.21 1ww9A1 ARG 147 H -0.05 0.35 -0.51 -0.55 8.46 7.69 1ww9A1 ARG 147 HA -0.01 -0.04 0.18 -0.75 4.34 3.71 1ww9A1 ARG 147 HB2 0.03 0.00 0.07 -0.04 1.90 1.96 1ww9A1 ARG 147 HB3 0.10 0.05 -0.05 -0.04 1.80 1.86 1ww9A1 ARG 147 HG2 0.10 -0.01 -0.23 -0.04 1.67 1.49 1ww9A1 ARG 147 HG3 0.05 -0.04 -0.08 -0.04 1.67 1.56 1ww9A1 ARG 147 HD2 0.06 0.04 -0.03 -0.04 3.22 3.24 1ww9A1 ARG 147 HD3 0.06 -0.06 -0.02 -0.04 3.22 3.16 1ww9A1 ASP 148 H 0.01 0.33 -0.35 -0.55 8.40 7.84 1ww9A1 ASP 148 HA 0.13 0.30 0.86 -0.75 4.63 5.17 1ww9A1 ASP 148 HB2 0.22 -0.04 0.09 -0.04 2.71 2.94 1ww9A1 ASP 148 HB3 0.21 0.07 0.27 -0.04 2.70 3.20 1ww9A1 THR 149 H -0.12 0.41 -0.38 -0.55 8.28 7.65 1ww9A1 THR 149 HA -0.05 0.18 0.74 -0.75 4.39 4.51 1ww9A1 THR 149 HB -0.16 -0.03 -0.06 -0.04 4.32 4.03 1ww9A1 THR 149 HG23 -0.22 0.01 -0.32 -0.04 1.22 0.66 1ww9A1 PRO 150 HA -1.29 0.14 0.44 -0.51 4.44 3.22 1ww9A1 PRO 150 HB2 0.06 0.01 -0.13 -0.04 2.28 2.18 1ww9A1 PRO 150 HB3 -0.27 0.04 -0.04 -0.04 2.02 1.71 1ww9A1 PRO 150 HG2 -0.23 0.04 -0.16 -0.04 2.03 1.64 1ww9A1 PRO 150 HG3 -0.34 0.11 -0.19 -0.04 2.03 1.56 1ww9A1 PRO 150 HD2 -0.48 0.01 0.04 -0.04 3.68 3.22 1ww9A1 PRO 150 HD3 -0.48 0.19 0.07 -0.04 3.65 3.39 1ww9A1 PRO 151 HA -0.18 -0.01 0.39 -0.51 4.44 4.13 1ww9A1 PRO 151 HB2 0.04 0.04 -0.05 -0.04 2.28 2.27 1ww9A1 PRO 151 HB3 -0.05 -0.02 0.03 -0.04 2.02 1.94 1ww9A1 PRO 151 HG2 0.02 0.04 -0.00 -0.04 2.03 2.04 1ww9A1 PRO 151 HG3 -0.46 0.03 0.01 -0.04 2.03 1.57 1ww9A1 PRO 151 HD2 -0.38 0.11 0.11 -0.04 3.68 3.48 1ww9A1 PRO 151 HD3 -1.98 0.19 0.13 -0.04 3.65 1.95 1ww9A1 ASN 152 H -0.05 0.11 0.06 -0.55 8.53 8.11 1ww9A1 ASN 152 HA -0.01 -0.06 0.18 -0.75 4.76 4.11 1ww9A1 ASN 152 HB2 0.21 0.27 0.11 -0.04 2.88 3.42 1ww9A1 ASN 152 HB3 0.09 -0.04 0.08 -0.04 2.79 2.89 1ww9A1 ASN 152 HD21 0.03 0.02 -0.07 -0.04 7.03 6.96 1ww9A1 ASN 152 HD22 0.02 -0.05 -0.03 -0.04 7.74 7.64 1ww9A1 PHE 153 H -0.06 0.46 -0.63 -0.55 8.34 7.55 1ww9A1 PHE 153 HA -0.73 0.06 0.04 -0.75 4.62 3.23 1ww9A1 PHE 153 HB2 -0.85 0.06 -0.09 -0.04 3.15 2.23 1ww9A1 PHE 153 HB3 -0.32 0.01 -0.07 -0.04 3.06 2.64 1ww9A1 PHE 153 HD2 -0.71 -0.03 -0.23 -0.04 7.28 6.27 1ww9A1 PHE 153 HE2 0.19 -0.02 -0.18 -0.04 7.38 7.34 1ww9A1 PHE 153 HZ 0.21 0.01 -0.14 -0.04 7.32 7.37 1ww9A1 LEU 154 H -0.07 0.02 -0.29 -0.55 8.37 7.48 1ww9A1 LEU 154 HA -0.26 0.24 0.61 -0.75 4.35 4.18 1ww9A1 LEU 154 HB2 -0.09 -0.05 -0.08 -0.04 1.64 1.38 1ww9A1 LEU 154 HB3 -0.12 -0.02 0.04 -0.04 1.64 1.51 1ww9A1 LEU 154 HG 0.08 0.01 -0.20 -0.04 1.64 1.49 1ww9A1 LEU 154 HD13 -0.15 -0.00 -0.17 -0.04 0.93 0.56 1ww9A1 LEU 154 HD23 -0.08 0.03 -0.21 -0.04 0.89 0.59 1ww9A1 ASP 155 H -0.11 0.38 -0.51 -0.55 8.40 7.61 1ww9A1 ASP 155 HA -0.07 -0.04 0.35 -0.75 4.63 4.12 1ww9A1 ASP 155 HB2 -0.05 0.18 0.06 -0.04 2.71 2.86 1ww9A1 ASP 155 HB3 -0.04 -0.12 -0.03 -0.04 2.70 2.46 1ww9A1 ASP 156 H -0.06 0.08 0.18 -0.55 8.40 8.05 1ww9A1 ASP 156 HA -0.07 0.13 0.36 -0.75 4.63 4.29 1ww9A1 ASP 156 HB2 -0.04 -0.09 0.13 -0.04 2.71 2.67 1ww9A1 ASP 156 HB3 -0.04 0.03 0.03 -0.04 2.70 2.68 1ww9A1 ASP 157 H -0.05 -0.00 -0.18 -0.55 8.40 7.63 1ww9A1 ASP 157 HA -0.04 0.21 0.55 -0.75 4.63 4.60 1ww9A1 ASP 157 HB2 -0.04 -0.03 0.03 -0.04 2.71 2.63 1ww9A1 ASP 157 HB3 -0.03 -0.02 0.04 -0.04 2.70 2.65 1ww9A1 MET 158 H -0.07 0.33 -0.53 -0.55 8.47 7.65 1ww9A1 MET 158 HA -0.06 -0.08 0.27 -0.75 4.52 3.90 1ww9A1 MET 158 HB2 -0.05 -0.15 -0.01 -0.04 2.15 1.90 1ww9A1 MET 158 HB3 -0.14 0.23 0.04 -0.04 2.03 2.11 1ww9A1 MET 158 HG2 -0.03 0.12 -0.14 -0.04 2.63 2.54 1ww9A1 MET 158 HG3 -0.06 -0.00 -0.37 -0.04 2.56 2.09 1ww9A1 MET 158 HE3 0.12 0.01 -0.15 -0.04 2.10 2.04 1ww9A1 GLU 159 H -0.09 0.39 0.15 -0.55 8.60 8.50 1ww9A1 GLU 159 HA -0.02 0.09 0.72 -0.75 4.29 4.32 1ww9A1 GLU 159 HB2 -0.01 -0.01 0.13 -0.04 2.09 2.15 1ww9A1 GLU 159 HB3 -0.07 0.08 0.25 -0.04 1.99 2.21 1ww9A1 GLU 159 HG2 0.24 -0.08 0.00 -0.04 2.34 2.46 1ww9A1 GLU 159 HG3 0.19 0.05 -0.22 -0.04 2.34 2.32 1ww9A1 ILE 160 H -0.02 0.16 0.19 -0.55 8.25 8.03 1ww9A1 ILE 160 HA 0.11 0.29 1.03 -0.75 4.18 4.86 1ww9A1 ILE 160 HB -0.03 0.05 0.17 -0.04 1.89 2.04 1ww9A1 ILE 160 HG12 -0.23 0.05 -0.23 -0.04 1.49 1.04 1ww9A1 ILE 160 HG13 -0.66 0.03 -0.06 -0.04 1.21 0.47 1ww9A1 ILE 160 HG23 0.27 -0.03 -0.20 -0.04 0.93 0.93 1ww9A1 ILE 160 HD13 0.11 0.01 -0.22 -0.04 0.88 0.73 1ww9A1 LEU 161 H -0.00 0.57 0.41 -0.55 8.37 8.80 1ww9A1 LEU 161 HA -0.35 0.11 0.80 -0.75 4.35 4.16 1ww9A1 LEU 161 HB2 -1.05 0.02 0.09 -0.04 1.64 0.66 1ww9A1 LEU 161 HB3 -1.60 -0.01 0.08 -0.04 1.64 0.06 1ww9A1 LEU 161 HG -0.21 -0.01 -0.45 -0.04 1.64 0.93 1ww9A1 LEU 161 HD13 -0.76 -0.01 -0.08 -0.04 0.93 0.04 1ww9A1 LEU 161 HD23 -0.27 0.03 0.09 -0.04 0.89 0.70 1ww9A1 GLY 162 H -0.58 0.19 0.21 -0.55 8.43 7.70 1ww9A1 GLY 162 HA2 0.12 0.04 0.63 -0.51 4.01 4.29 1ww9A1 GLY 162 HA3 0.06 0.25 0.55 -0.51 4.01 4.35 1ww9A1 LYS 163 H 0.05 0.74 0.40 -0.55 8.42 9.05 1ww9A1 LYS 163 HA -0.02 0.08 0.76 -0.75 4.32 4.38 1ww9A1 LYS 163 HB2 0.05 0.03 -0.13 -0.04 1.87 1.78 1ww9A1 LYS 163 HB3 0.03 -0.02 0.02 -0.04 1.79 1.77 1ww9A1 LYS 163 HG2 0.04 0.06 -0.17 -0.04 1.46 1.35 1ww9A1 LYS 163 HG3 0.03 0.00 0.07 -0.04 1.46 1.52 1ww9A1 LYS 163 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.57 1ww9A1 LYS 163 HD3 0.03 0.00 -0.13 -0.04 1.68 1.55 1ww9A1 LYS 163 HE2 0.07 0.01 -0.12 -0.04 2.99 2.92 1ww9A1 LYS 163 HE3 0.05 -0.00 -0.04 -0.04 2.99 2.96 1ww9A1 ASN 164 H 0.12 0.25 0.23 -0.55 8.53 8.59 1ww9A1 ASN 164 HA -0.00 0.35 0.98 -0.75 4.76 5.34 1ww9A1 ASN 164 HB2 -0.34 -0.01 -0.22 -0.04 2.88 2.26 1ww9A1 ASN 164 HB3 0.08 -0.04 -0.00 -0.04 2.79 2.78 1ww9A1 ASN 164 HD21 -0.56 0.08 -0.12 -0.04 7.03 6.39 1ww9A1 ASN 164 HD22 -0.08 -0.05 -0.12 -0.04 7.74 7.44 1ww9A1 GLN 165 H 0.21 0.35 0.24 -0.55 8.47 8.74 1ww9A1 GLN 165 HA 0.17 0.10 0.56 -0.75 4.36 4.43 1ww9A1 GLN 165 HB2 0.12 -0.01 0.14 -0.04 2.15 2.36 1ww9A1 GLN 165 HB3 0.12 0.09 -0.16 -0.04 2.02 2.02 1ww9A1 GLN 165 HG2 0.21 0.04 -0.04 -0.04 2.40 2.57 1ww9A1 GLN 165 HG3 0.19 0.00 -0.35 -0.04 2.39 2.18 1ww9A1 GLN 165 HE21 0.19 0.00 -0.08 -0.04 6.97 7.05 1ww9A1 GLN 165 HE22 0.18 0.03 -0.11 -0.04 7.69 7.74 1ww9A1 ILE 166 H 0.10 0.16 0.19 -0.55 8.25 8.15 1ww9A1 ILE 166 HA -0.04 0.26 0.98 -0.75 4.18 4.62 1ww9A1 ILE 166 HB -0.00 -0.03 0.15 -0.04 1.89 1.97 1ww9A1 ILE 166 HG12 -0.36 0.06 -0.07 -0.04 1.49 1.09 1ww9A1 ILE 166 HG13 0.11 -0.08 -0.06 -0.04 1.21 1.14 1ww9A1 ILE 166 HG23 -0.12 -0.00 -0.16 -0.04 0.93 0.61 1ww9A1 ILE 166 HD13 -0.02 0.00 -0.01 -0.04 0.88 0.81 1ww9A1 ILE 167 H -0.25 0.77 0.42 -0.55 8.25 8.64 1ww9A1 ILE 167 HA -0.03 0.16 0.99 -0.75 4.18 4.54 1ww9A1 ILE 167 HB -0.87 0.03 0.03 -0.04 1.89 1.04 1ww9A1 ILE 167 HG12 0.04 -0.01 -0.26 -0.04 1.49 1.21 1ww9A1 ILE 167 HG13 0.06 0.02 -0.09 -0.04 1.21 1.16 1ww9A1 ILE 167 HG23 0.06 -0.01 -0.17 -0.04 0.93 0.77 1ww9A1 ILE 167 HD13 0.11 0.06 -0.14 -0.04 0.88 0.86 1ww9A1 LYS 168 H 0.02 0.15 0.11 -0.55 8.42 8.14 1ww9A1 LYS 168 HA 0.03 0.19 0.83 -0.75 4.32 4.61 1ww9A1 LYS 168 HB2 0.04 -0.03 0.24 -0.04 1.87 2.07 1ww9A1 LYS 168 HB3 0.04 0.03 0.16 -0.04 1.79 1.98 1ww9A1 LYS 168 HG2 0.01 0.02 -0.05 -0.04 1.46 1.40 1ww9A1 LYS 168 HG3 0.01 -0.03 -0.05 -0.04 1.46 1.36 1ww9A1 LYS 168 HD2 0.02 -0.00 0.02 -0.04 1.69 1.69 1ww9A1 LYS 168 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.63 1ww9A1 LYS 168 HE2 0.03 -0.00 0.07 -0.04 2.99 3.05 1ww9A1 LYS 168 HE3 0.03 -0.01 0.02 -0.04 2.99 2.99 1ww9A1 SER 169 H 0.18 0.44 0.18 -0.55 8.46 8.71 1ww9A1 SER 169 HA 0.07 0.04 0.41 -0.75 4.49 4.26 1ww9A1 SER 169 HB2 0.03 0.02 -0.05 -0.04 3.95 3.90 1ww9A1 SER 169 HB3 0.12 -0.03 -0.47 -0.04 3.93 3.51 1ww9A1 ASN 170 H 0.02 0.09 0.07 -0.55 8.53 8.16 1ww9A1 ASN 170 HA 0.14 0.18 0.30 -0.75 4.76 4.62 1ww9A1 ASN 170 HB2 0.04 0.20 0.21 -0.04 2.88 3.29 1ww9A1 ASN 170 HB3 -0.07 -0.16 0.09 -0.04 2.79 2.62 1ww9A1 ASN 170 HD21 0.19 0.31 0.27 -0.04 7.03 7.75 1ww9A1 ASN 170 HD22 0.13 0.36 0.29 -0.04 7.74 8.48 1ww9A1 TRP 171 H 0.42 0.28 0.09 -0.55 7.97 8.21 1ww9A1 TRP 171 HA -0.34 0.07 0.24 -0.75 4.62 3.83 1ww9A1 TRP 171 HB2 0.06 0.25 0.00 -0.04 3.23 3.50 1ww9A1 TRP 171 HB3 0.04 0.00 -0.03 -0.04 3.23 3.20 1ww9A1 TRP 171 HD1 -0.05 0.06 0.08 -0.04 7.22 7.27 1ww9A1 TRP 171 HE1 -0.21 0.25 0.00 -0.04 10.20 10.21 1ww9A1 TRP 171 HE3 0.18 0.04 0.00 -0.04 7.59 7.77 1ww9A1 TRP 171 HZ2 -0.72 0.09 0.07 -0.04 7.44 6.83 1ww9A1 TRP 171 HZ3 0.52 0.05 0.12 -0.04 7.13 7.79 1ww9A1 TRP 171 HH2 0.04 -0.02 0.04 -0.04 7.19 7.21 1ww9A1 ARG 172 H -1.00 0.15 -0.24 -0.55 8.46 6.83 1ww9A1 ARG 172 HA -0.73 0.11 0.42 -0.75 4.34 3.39 1ww9A1 ARG 172 HB2 -0.46 -0.01 -0.01 -0.04 1.90 1.38 1ww9A1 ARG 172 HB3 -0.29 -0.01 -0.05 -0.04 1.80 1.42 1ww9A1 ARG 172 HG2 -1.73 0.02 -0.01 -0.04 1.67 -0.08 1ww9A1 ARG 172 HG3 -3.04 -0.03 0.01 -0.04 1.67 -1.43 1ww9A1 ARG 172 HD2 -1.55 -0.03 -0.09 -0.04 3.22 1.52 1ww9A1 ARG 172 HD3 -0.92 0.19 -0.06 -0.04 3.22 2.40 1ww9A1 LEU 173 H -0.30 0.25 -0.33 -0.55 8.37 7.45 1ww9A1 LEU 173 HA -0.31 0.04 0.36 -0.75 4.35 3.68 1ww9A1 LEU 173 HB2 -0.20 0.14 -0.04 -0.04 1.64 1.50 1ww9A1 LEU 173 HB3 -0.24 0.03 -0.00 -0.04 1.64 1.38 1ww9A1 LEU 173 HG -0.24 -0.05 -0.03 -0.04 1.64 1.27 1ww9A1 LEU 173 HD13 -0.12 -0.01 -0.13 -0.04 0.93 0.63 1ww9A1 LEU 173 HD23 -0.80 -0.01 -0.10 -0.04 0.89 -0.06 1ww9A1 ALA 174 H -0.39 0.29 -0.46 -0.55 8.40 7.28 1ww9A1 ALA 174 HA -0.43 0.04 0.37 -0.75 4.34 3.57 1ww9A1 ALA 174 HB3 -0.60 0.07 -0.01 -0.04 1.41 0.82 1ww9A1 VAL 175 H -0.47 0.45 -0.08 -0.55 8.24 7.59 1ww9A1 VAL 175 HA -0.91 0.05 0.31 -0.75 4.13 2.83 1ww9A1 VAL 175 HB -0.27 0.04 0.12 -0.04 2.12 1.97 1ww9A1 VAL 175 HG13 -1.16 -0.02 -0.22 -0.04 0.97 -0.47 1ww9A1 VAL 175 HG23 0.25 0.07 0.04 -0.04 0.95 1.27 1ww9A1 GLU 176 H -0.28 0.61 -0.16 -0.55 8.60 8.22 1ww9A1 GLU 176 HA -0.18 0.00 0.29 -0.75 4.29 3.65 1ww9A1 GLU 176 HB2 -0.16 0.07 0.05 -0.04 2.09 2.02 1ww9A1 GLU 176 HB3 -0.06 -0.08 -0.05 -0.04 1.99 1.76 1ww9A1 GLU 176 HG2 0.11 -0.05 -0.05 -0.04 2.34 2.32 1ww9A1 GLU 176 HG3 0.08 0.24 0.04 -0.04 2.34 2.66 1ww9A1 ASN 177 H -0.33 0.49 -0.31 -0.55 8.53 7.84 1ww9A1 ASN 177 HA -0.31 -0.05 0.34 -0.75 4.76 3.98 1ww9A1 ASN 177 HB2 -0.29 -0.01 0.04 -0.04 2.88 2.59 1ww9A1 ASN 177 HB3 -0.36 0.13 0.09 -0.04 2.79 2.61 1ww9A1 ASN 177 HD21 -0.26 -0.08 -0.12 -0.04 7.03 6.52 1ww9A1 ASN 177 HD22 -0.31 0.08 -0.26 -0.04 7.74 7.21 1ww9A1 GLY 178 H -0.41 0.50 -0.32 -0.55 8.43 7.65 1ww9A1 GLY 178 HA2 -0.15 -0.00 0.32 -0.51 4.01 3.67 1ww9A1 GLY 178 HA3 -0.08 0.04 0.24 -0.51 4.01 3.70 1ww9A1 PHE 179 H -0.10 0.45 -0.27 -0.55 8.34 7.86 1ww9A1 PHE 179 HA -0.11 0.12 0.51 -0.75 4.62 4.38 1ww9A1 PHE 179 HB2 -0.33 0.01 -0.06 -0.04 3.15 2.73 1ww9A1 PHE 179 HB3 -0.29 -0.00 -0.07 -0.04 3.06 2.66 1ww9A1 PHE 179 HD2 -0.14 0.02 -0.20 -0.04 7.28 6.92 1ww9A1 PHE 179 HE2 -0.11 0.11 -0.12 -0.04 7.38 7.22 1ww9A1 PHE 179 HZ -0.12 -0.04 -0.49 -0.04 7.32 6.62 1ww9A1 ASP 180 H -0.15 0.35 -0.58 -0.55 8.40 7.48 1ww9A1 ASP 180 HA -0.09 -0.02 0.45 -0.75 4.63 4.21 1ww9A1 ASP 180 HB2 -0.13 0.28 0.12 -0.04 2.71 2.94 1ww9A1 ASP 180 HB3 -0.09 0.11 0.17 -0.04 2.70 2.86 1ww9A1 PRO 181 HA -0.00 0.17 0.35 -0.51 4.44 4.45 1ww9A1 PRO 181 HB2 -0.08 -0.12 0.12 -0.04 2.28 2.16 1ww9A1 PRO 181 HB3 -0.26 0.02 0.08 -0.04 2.02 1.82 1ww9A1 PRO 181 HG2 -0.27 0.03 0.22 -0.04 2.03 1.97 1ww9A1 PRO 181 HG3 -0.38 0.10 0.13 -0.04 2.03 1.85 1ww9A1 PRO 181 HD2 -0.13 -0.02 0.20 -0.04 3.68 3.69 1ww9A1 PRO 181 HD3 -0.32 0.40 0.45 -0.04 3.65 4.14 1ww9A1 SER 182 H 0.09 0.07 -0.14 -0.55 8.46 7.94 1ww9A1 SER 182 HA 0.14 0.19 0.63 -0.75 4.49 4.70 1ww9A1 SER 182 HB2 0.26 -0.02 0.03 -0.04 3.95 4.17 1ww9A1 SER 182 HB3 0.19 0.06 0.11 -0.04 3.93 4.25 1ww9A1 HIS 183 H 0.21 0.31 -0.40 -0.55 8.41 7.99 1ww9A1 HIS 183 HA -0.01 0.02 0.37 -0.75 4.63 4.25 1ww9A1 HIS 183 HB2 -0.11 -0.06 0.09 -0.04 3.26 3.14 1ww9A1 HIS 183 HB3 -0.04 -0.04 0.08 -0.04 3.20 3.15 1ww9A1 HIS 183 HD2 -0.25 -0.13 -0.15 -0.04 6.97 6.40 1ww9A1 HIS 183 HE1 0.06 0.05 -0.08 -0.04 7.75 7.73 1ww9A1 ILE 184 H -0.15 0.24 -0.66 -0.55 8.25 7.13 1ww9A1 ILE 184 HA -0.22 0.02 0.26 -0.75 4.18 3.48 1ww9A1 ILE 184 HB -0.03 0.09 0.02 -0.04 1.89 1.92 1ww9A1 ILE 184 HG12 -0.00 0.05 -0.11 -0.04 1.49 1.39 1ww9A1 ILE 184 HG13 0.10 -0.08 0.01 -0.04 1.21 1.20 1ww9A1 ILE 184 HG23 -0.08 -0.00 -0.27 -0.04 0.93 0.53 1ww9A1 ILE 184 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.79 1ww9A1 TYR 185 H 0.05 0.37 -0.51 -0.55 8.29 7.65 1ww9A1 TYR 185 HA -0.09 0.06 0.42 -0.75 4.56 4.20 1ww9A1 TYR 185 HB2 -0.07 0.18 0.18 -0.04 3.06 3.32 1ww9A1 TYR 185 HB3 -0.07 -0.04 0.06 -0.04 2.98 2.89 1ww9A1 TYR 185 HD2 -0.05 0.03 -0.06 -0.04 7.15 7.02 1ww9A1 TYR 185 HE2 -0.02 -0.03 -0.06 -0.04 6.85 6.70 1ww9A1 ILE 186 H -0.16 0.64 -0.17 -0.55 8.25 8.01 1ww9A1 ILE 186 HA -0.17 0.05 0.43 -0.75 4.18 3.74 1ww9A1 ILE 186 HB -0.38 -0.05 0.07 -0.04 1.89 1.49 1ww9A1 ILE 186 HG12 -0.54 0.40 0.02 -0.04 1.49 1.33 1ww9A1 ILE 186 HG13 -1.13 -0.01 -0.46 -0.04 1.21 -0.42 1ww9A1 ILE 186 HG23 -0.15 0.00 0.03 -0.04 0.93 0.78 1ww9A1 ILE 186 HD13 -0.50 -0.02 -0.21 -0.04 0.88 0.10 1ww9A1 HIS 187 H -0.23 0.53 -0.42 -0.55 8.41 7.74 1ww9A1 HIS 187 HA -0.24 0.11 0.77 -0.75 4.63 4.51 1ww9A1 HIS 187 HB2 -0.13 0.22 0.07 -0.04 3.26 3.38 1ww9A1 HIS 187 HB3 -0.32 -0.10 0.14 -0.04 3.20 2.88 1ww9A1 HIS 187 HD2 -0.34 0.01 -0.10 -0.04 6.97 6.50 1ww9A1 HIS 187 HE1 -0.32 -0.10 -0.09 -0.04 7.75 7.20 1ww9A1 LYS 188 H -0.17 0.39 -0.30 -0.55 8.42 7.78 1ww9A1 LYS 188 HA -0.03 0.07 0.30 -0.75 4.32 3.91 1ww9A1 LYS 188 HB2 -0.14 -0.00 0.07 -0.04 1.87 1.75 1ww9A1 LYS 188 HB3 -0.24 0.05 0.13 -0.04 1.79 1.68 1ww9A1 LYS 188 HG2 -0.33 0.12 0.07 -0.04 1.46 1.27 1ww9A1 LYS 188 HG3 -0.18 -0.06 -0.14 -0.04 1.46 1.03 1ww9A1 LYS 188 HD2 -0.31 -0.05 -0.01 -0.04 1.69 1.27 1ww9A1 LYS 188 HD3 -1.08 0.04 0.07 -0.04 1.68 0.67 1ww9A1 LYS 188 HE2 -0.22 -0.04 -0.02 -0.04 2.99 2.67 1ww9A1 LYS 188 HE3 -0.40 -0.07 -0.02 -0.04 2.99 2.45 1ww9A1 ASP 189 H -0.03 0.12 -0.42 -0.55 8.40 7.52 1ww9A1 ASP 189 HA 0.01 0.24 0.90 -0.75 4.63 5.03 1ww9A1 ASP 189 HB2 0.01 0.02 0.01 -0.04 2.71 2.71 1ww9A1 ASP 189 HB3 0.01 -0.04 0.15 -0.04 2.70 2.78 1ww9A1 SER 190 H 0.07 0.54 -0.17 -0.55 8.46 8.36 1ww9A1 SER 190 HA 0.10 0.10 0.51 -0.75 4.49 4.44 1ww9A1 SER 190 HB2 0.07 0.08 0.25 -0.04 3.95 4.32 1ww9A1 SER 190 HB3 0.29 0.02 0.17 -0.04 3.93 4.37 1ww9A1 ILE 191 H 0.10 0.27 0.26 -0.55 8.25 8.33 1ww9A1 ILE 191 HA 0.06 0.07 0.41 -0.75 4.18 3.97 1ww9A1 ILE 191 HB 0.04 -0.03 0.10 -0.04 1.89 1.96 1ww9A1 ILE 191 HG12 0.10 0.07 0.22 -0.04 1.49 1.84 1ww9A1 ILE 191 HG13 0.09 0.05 -0.05 -0.04 1.21 1.26 1ww9A1 ILE 191 HG23 0.04 0.02 0.13 -0.04 0.93 1.08 1ww9A1 ILE 191 HD13 0.05 0.01 0.08 -0.04 0.88 0.97 1ww9A1 LEU 192 H 0.18 0.14 -0.37 -0.55 8.37 7.77 1ww9A1 LEU 192 HA 0.08 0.04 0.26 -0.75 4.35 3.97 1ww9A1 LEU 192 HB2 0.18 0.23 -0.04 -0.04 1.64 1.97 1ww9A1 LEU 192 HB3 0.30 -0.01 -0.05 -0.04 1.64 1.83 1ww9A1 LEU 192 HG -0.06 0.04 -0.32 -0.04 1.64 1.27 1ww9A1 LEU 192 HD13 0.09 -0.01 -0.16 -0.04 0.93 0.81 1ww9A1 LEU 192 HD23 -0.41 -0.01 -0.07 -0.04 0.89 0.36 1ww9A1 VAL 193 H 0.16 0.30 -0.34 -0.55 8.24 7.81 1ww9A1 VAL 193 HA 0.08 0.02 0.27 -0.75 4.13 3.75 1ww9A1 VAL 193 HB 0.09 0.15 0.04 -0.04 2.12 2.36 1ww9A1 VAL 193 HG13 0.06 0.01 -0.15 -0.04 0.97 0.85 1ww9A1 VAL 193 HG23 0.21 -0.00 -0.02 -0.04 0.95 1.10 1ww9A1 LYS 194 H 0.06 0.27 -0.19 -0.55 8.42 8.01 1ww9A1 LYS 194 HA 0.04 0.07 0.52 -0.75 4.32 4.20 1ww9A1 LYS 194 HB2 0.03 0.03 0.07 -0.04 1.87 1.96 1ww9A1 LYS 194 HB3 0.03 0.03 0.16 -0.04 1.79 1.97 1ww9A1 LYS 194 HG2 0.02 0.02 -0.31 -0.04 1.46 1.15 1ww9A1 LYS 194 HG3 0.02 -0.02 -0.01 -0.04 1.46 1.41 1ww9A1 LYS 194 HD2 0.02 0.01 0.00 -0.04 1.69 1.68 1ww9A1 LYS 194 HD3 0.02 0.00 0.01 -0.04 1.68 1.67 1ww9A1 LYS 194 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 1ww9A1 LYS 194 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 1ww9A1 ASP 195 H 0.03 0.58 0.08 -0.55 8.40 8.55 1ww9A1 ASP 195 HA 0.00 0.01 0.36 -0.75 4.63 4.25 1ww9A1 ASP 195 HB2 0.01 0.06 0.01 -0.04 2.71 2.75 1ww9A1 ASP 195 HB3 -0.03 -0.05 0.07 -0.04 2.70 2.65 1ww9A1 ASN 196 H 0.03 0.41 -0.59 -0.55 8.53 7.83 1ww9A1 ASN 196 HA 0.03 0.16 0.94 -0.75 4.76 5.13 1ww9A1 ASN 196 HB2 0.07 -0.11 -0.08 -0.04 2.88 2.73 1ww9A1 ASN 196 HB3 0.04 0.09 0.01 -0.04 2.79 2.89 1ww9A1 ASN 196 HD21 0.15 -0.14 0.06 -0.04 7.03 7.06 1ww9A1 ASN 196 HD22 0.00 0.11 0.04 -0.04 7.74 7.86 1ww9A1 ASP 197 H 0.03 0.48 -0.22 -0.55 8.40 8.14 1ww9A1 ASP 197 HA 0.03 0.10 0.43 -0.75 4.63 4.44 1ww9A1 ASP 197 HB2 0.02 0.05 0.01 -0.04 2.71 2.75 1ww9A1 ASP 197 HB3 0.03 0.05 -0.09 -0.04 2.70 2.66 1ww9A1 LEU 198 H 0.04 0.50 0.00 -0.55 8.37 8.37 1ww9A1 LEU 198 HA 0.03 0.19 0.67 -0.75 4.35 4.48 1ww9A1 LEU 198 HB2 0.05 -0.10 -0.09 -0.04 1.64 1.46 1ww9A1 LEU 198 HB3 0.04 0.09 -0.06 -0.04 1.64 1.66 1ww9A1 LEU 198 HG 0.01 0.05 -0.19 -0.04 1.64 1.47 1ww9A1 LEU 198 HD13 -0.06 -0.05 -0.24 -0.04 0.93 0.54 1ww9A1 LEU 198 HD23 -0.08 0.03 -0.12 -0.04 0.89 0.68 1ww9A1 ALA 199 H 0.07 0.59 0.16 -0.55 8.40 8.67 1ww9A1 ALA 199 HA 0.10 -0.01 0.66 -0.75 4.34 4.34 1ww9A1 ALA 199 HB3 0.12 0.06 -0.03 -0.04 1.41 1.51 1ww9A1 LEU 200 H 0.16 0.48 0.20 -0.55 8.37 8.67 1ww9A1 LEU 200 HA 0.07 0.21 0.80 -0.75 4.35 4.69 1ww9A1 LEU 200 HB2 0.10 -0.02 -0.37 -0.04 1.64 1.31 1ww9A1 LEU 200 HB3 0.05 -0.10 0.08 -0.04 1.64 1.63 1ww9A1 LEU 200 HG 0.02 0.21 -0.14 -0.04 1.64 1.69 1ww9A1 LEU 200 HD13 0.15 -0.00 -0.02 -0.04 0.93 1.01 1ww9A1 LEU 200 HD23 0.18 -0.04 -0.15 -0.04 0.89 0.85 1ww9A1 PRO 201 HA -1.02 0.02 0.56 -0.51 4.44 3.48 1ww9A1 PRO 201 HB2 -0.86 -0.00 0.15 -0.04 2.28 1.53 1ww9A1 PRO 201 HB3 -1.41 -0.02 -0.01 -0.04 2.02 0.53 1ww9A1 PRO 201 HG2 -0.52 0.03 -0.05 -0.04 2.03 1.45 1ww9A1 PRO 201 HG3 -0.36 0.04 0.02 -0.04 2.03 1.69 1ww9A1 PRO 201 HD2 -0.04 0.16 0.16 -0.04 3.68 3.92 1ww9A1 PRO 201 HD3 -0.02 0.14 0.01 -0.04 3.65 3.73 1ww9A1 LEU 202 H -0.41 0.71 0.38 -0.55 8.37 8.50 1ww9A1 LEU 202 HA -0.08 0.16 0.57 -0.75 4.35 4.25 1ww9A1 LEU 202 HB2 -0.08 -0.04 -0.10 -0.04 1.64 1.38 1ww9A1 LEU 202 HB3 0.15 -0.04 -0.04 -0.04 1.64 1.67 1ww9A1 LEU 202 HG -0.08 -0.04 -0.15 -0.04 1.64 1.34 1ww9A1 LEU 202 HD13 0.07 -0.04 -0.43 -0.04 0.93 0.49 1ww9A1 LEU 202 HD23 -0.03 0.06 -0.20 -0.04 0.89 0.69 1ww9A1 GLY 203 H -0.47 0.23 0.13 -0.55 8.43 7.77 1ww9A1 GLY 203 HA2 -0.34 0.15 0.33 -0.51 4.01 3.63 1ww9A1 GLY 203 HA3 -0.16 0.02 0.38 -0.51 4.01 3.74 1ww9A1 PHE 204 H 0.02 0.22 0.16 -0.55 8.34 8.19 1ww9A1 PHE 204 HA -0.05 0.17 0.86 -0.75 4.62 4.85 1ww9A1 PHE 204 HB2 -0.07 -0.09 -0.11 -0.04 3.15 2.84 1ww9A1 PHE 204 HB3 -0.05 0.09 -0.24 -0.04 3.06 2.82 1ww9A1 PHE 204 HD2 -0.05 -0.05 -0.27 -0.04 7.28 6.87 1ww9A1 PHE 204 HE2 -0.05 0.16 -0.09 -0.04 7.38 7.36 1ww9A1 PHE 204 HZ -0.05 0.10 -0.07 -0.04 7.32 7.26 1ww9A1 ALA 205 H 0.12 0.83 0.19 -0.55 8.40 8.99 1ww9A1 ALA 205 HA 0.04 0.09 0.81 -0.75 4.34 4.53 1ww9A1 ALA 205 HB3 0.05 -0.01 0.15 -0.04 1.41 1.55 1ww9A1 PRO 206 HA 0.01 0.06 0.41 -0.51 4.44 4.41 1ww9A1 PRO 206 HB2 -0.02 0.01 -0.05 -0.04 2.28 2.18 1ww9A1 PRO 206 HB3 -0.04 0.06 0.00 -0.04 2.02 2.00 1ww9A1 PRO 206 HG2 -0.10 -0.11 0.02 -0.04 2.03 1.80 1ww9A1 PRO 206 HG3 -0.06 0.02 -0.03 -0.04 2.03 1.91 1ww9A1 PRO 206 HD2 -0.01 0.07 0.20 -0.04 3.68 3.90 1ww9A1 PRO 206 HD3 0.01 0.43 0.20 -0.04 3.65 4.25 1ww9A1 GLY 207 H 0.04 0.20 0.04 -0.55 8.43 8.17 1ww9A1 GLY 207 HA2 0.02 0.11 0.76 -0.51 4.01 4.39 1ww9A1 GLY 207 HA3 0.06 0.35 0.17 -0.51 4.01 4.09 1ww9A1 GLY 208 H -0.04 0.10 0.12 -0.55 8.43 8.07 1ww9A1 GLY 208 HA2 -0.18 -0.00 0.34 -0.51 4.01 3.65 1ww9A1 GLY 208 HA3 -0.28 0.13 0.57 -0.51 4.01 3.92 1ww9A1 ASP 209 H -0.13 0.08 0.14 -0.55 8.40 7.94 1ww9A1 ASP 209 HA -0.03 0.23 0.73 -0.75 4.63 4.80 1ww9A1 ASP 209 HB2 -0.02 -0.05 0.17 -0.04 2.71 2.76 1ww9A1 ASP 209 HB3 -0.05 0.07 0.07 -0.04 2.70 2.75 1ww9A1 ARG 210 H -0.01 0.16 0.14 -0.55 8.46 8.20 1ww9A1 ARG 210 HA -0.00 0.13 0.37 -0.75 4.34 4.08 1ww9A1 ARG 210 HB2 0.01 0.05 0.12 -0.04 1.90 2.04 1ww9A1 ARG 210 HB3 0.01 -0.06 0.17 -0.04 1.80 1.88 1ww9A1 ARG 210 HG2 0.02 0.03 -0.28 -0.04 1.67 1.40 1ww9A1 ARG 210 HG3 0.02 0.00 -0.02 -0.04 1.67 1.63 1ww9A1 ARG 210 HD2 0.02 -0.01 -0.00 -0.04 3.22 3.19 1ww9A1 ARG 210 HD3 0.04 0.04 -0.05 -0.04 3.22 3.21 1ww9A1 LYS 211 H 0.01 0.08 -0.03 -0.55 8.42 7.92 1ww9A1 LYS 211 HA 0.02 0.09 0.37 -0.75 4.32 4.06 1ww9A1 LYS 211 HB2 0.01 -0.08 0.09 -0.04 1.87 1.84 1ww9A1 LYS 211 HB3 0.02 0.09 -0.05 -0.04 1.79 1.80 1ww9A1 LYS 211 HG2 0.02 0.05 0.07 -0.04 1.46 1.56 1ww9A1 LYS 211 HG3 0.02 -0.03 0.05 -0.04 1.46 1.45 1ww9A1 LYS 211 HD2 0.01 -0.03 0.02 -0.04 1.69 1.65 1ww9A1 LYS 211 HD3 0.02 0.03 0.01 -0.04 1.68 1.69 1ww9A1 LYS 211 HE2 0.02 -0.00 0.01 -0.04 2.99 2.97 1ww9A1 LYS 211 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 1ww9A1 GLN 212 H 0.00 0.05 -0.61 -0.55 8.47 7.37 1ww9A1 GLN 212 HA 0.06 0.13 0.49 -0.75 4.36 4.29 1ww9A1 GLN 212 HB2 -0.03 -0.03 0.09 -0.04 2.15 2.14 1ww9A1 GLN 212 HB3 0.18 0.07 0.01 -0.04 2.02 2.25 1ww9A1 GLN 212 HG2 0.17 0.07 0.05 -0.04 2.40 2.65 1ww9A1 GLN 212 HG3 0.01 -0.06 -0.02 -0.04 2.39 2.28 1ww9A1 GLN 212 HE21 -0.29 -0.00 0.02 -0.04 6.97 6.66 1ww9A1 GLN 212 HE22 0.00 0.04 0.01 -0.04 7.69 7.70 1ww9A1 GLN 213 H 0.02 0.49 -0.28 -0.55 8.47 8.15 1ww9A1 GLN 213 HA -0.00 0.07 0.31 -0.75 4.36 3.98 1ww9A1 GLN 213 HB2 -0.01 0.07 0.04 -0.04 2.15 2.21 1ww9A1 GLN 213 HB3 -0.06 -0.14 0.05 -0.04 2.02 1.82 1ww9A1 GLN 213 HG2 -0.01 0.15 0.13 -0.04 2.40 2.63 1ww9A1 GLN 213 HG3 -0.03 -0.10 -0.00 -0.04 2.39 2.21 1ww9A1 GLN 213 HE21 0.03 0.44 -0.08 -0.04 6.97 7.31 1ww9A1 GLN 213 HE22 0.00 0.46 -0.21 -0.04 7.69 7.91 1ww9A1 THR 214 H 0.03 0.36 -0.25 -0.55 8.28 7.86 1ww9A1 THR 214 HA 0.04 0.10 0.89 -0.75 4.39 4.67 1ww9A1 THR 214 HB 0.09 0.01 0.11 -0.04 4.32 4.49 1ww9A1 THR 214 HG23 0.03 -0.03 -0.24 -0.04 1.22 0.94 1ww9A1 ARG 215 H 0.11 0.36 0.23 -0.55 8.46 8.61 1ww9A1 ARG 215 HA 0.05 0.18 0.85 -0.75 4.34 4.67 1ww9A1 ARG 215 HB2 0.03 0.07 -0.08 -0.04 1.90 1.87 1ww9A1 ARG 215 HB3 0.13 -0.08 0.16 -0.04 1.80 1.96 1ww9A1 ARG 215 HG2 0.07 -0.01 -0.27 -0.04 1.67 1.41 1ww9A1 ARG 215 HG3 0.03 0.04 0.01 -0.04 1.67 1.70 1ww9A1 ARG 215 HD2 -0.03 -0.01 -0.06 -0.04 3.22 3.08 1ww9A1 ARG 215 HD3 -0.06 0.03 -0.04 -0.04 3.22 3.11 1ww9A1 VAL 216 H 0.04 0.19 0.09 -0.55 8.24 8.01 1ww9A1 VAL 216 HA -0.01 0.17 0.82 -0.75 4.13 4.35 1ww9A1 VAL 216 HB 0.03 -0.03 0.16 -0.04 2.12 2.24 1ww9A1 VAL 216 HG13 0.03 0.01 -0.13 -0.04 0.97 0.84 1ww9A1 VAL 216 HG23 0.04 0.00 -0.01 -0.04 0.95 0.94 1ww9A1 VAL 217 H -0.08 0.77 0.37 -0.55 8.24 8.75 1ww9A1 VAL 217 HA 0.07 0.07 0.84 -0.75 4.13 4.36 1ww9A1 VAL 217 HB -0.00 -0.02 0.13 -0.04 2.12 2.19 1ww9A1 VAL 217 HG13 0.31 -0.00 -0.14 -0.04 0.97 1.10 1ww9A1 VAL 217 HG23 0.30 0.03 -0.13 -0.04 0.95 1.11 1ww9A1 ASP 218 H 0.03 0.18 0.13 -0.55 8.40 8.19 1ww9A1 ASP 218 HA -0.10 0.31 0.86 -0.75 4.63 4.94 1ww9A1 ASP 218 HB2 -0.24 0.07 0.17 -0.04 2.71 2.67 1ww9A1 ASP 218 HB3 -0.11 -0.00 -0.15 -0.04 2.70 2.40 1ww9A1 ASP 219 H 0.06 0.02 0.03 -0.55 8.40 7.95 1ww9A1 ASP 219 HA 0.03 0.29 0.79 -0.75 4.63 4.97 1ww9A1 ASP 219 HB2 0.03 0.01 0.16 -0.04 2.71 2.87 1ww9A1 ASP 219 HB3 0.03 0.04 -0.06 -0.04 2.70 2.67 1ww9A1 ASP 220 H 0.08 0.24 -0.11 -0.55 8.40 8.05 1ww9A1 ASP 220 HA 0.07 0.04 0.48 -0.75 4.63 4.47 1ww9A1 ASP 220 HB2 0.18 0.04 -0.00 -0.04 2.71 2.89 1ww9A1 ASP 220 HB3 0.09 0.17 0.01 -0.04 2.70 2.92 1ww9A1 VAL 221 H 0.02 0.12 0.17 -0.55 8.24 8.00 1ww9A1 VAL 221 HA 0.01 0.16 0.33 -0.75 4.13 3.88 1ww9A1 VAL 221 HB 0.01 0.03 0.13 -0.04 2.12 2.25 1ww9A1 VAL 221 HG13 -0.01 -0.01 0.02 -0.04 0.97 0.94 1ww9A1 VAL 221 HG23 -0.00 0.01 -0.07 -0.04 0.95 0.85 1ww9A1 VAL 222 H -0.01 0.01 -0.23 -0.55 8.24 7.46 1ww9A1 VAL 222 HA -0.02 0.21 0.63 -0.75 4.13 4.20 1ww9A1 VAL 222 HB -0.05 -0.01 -0.03 -0.04 2.12 1.99 1ww9A1 VAL 222 HG13 -0.04 -0.02 -0.08 -0.04 0.97 0.78 1ww9A1 VAL 222 HG23 -0.07 -0.01 -0.21 -0.04 0.95 0.62 1ww9A1 GLY 223 H 0.01 0.36 -0.56 -0.55 8.43 7.69 1ww9A1 GLY 223 HA2 0.02 0.08 0.21 -0.51 4.01 3.81 1ww9A1 GLY 223 HA3 0.02 0.13 0.56 -0.51 4.01 4.22 1ww9A1 ARG 224 H 0.01 -0.17 -0.33 -0.55 8.46 7.42 1ww9A1 ARG 224 HA 0.09 0.44 0.43 -0.75 4.34 4.55 1ww9A1 ARG 224 HB2 0.06 -0.22 -0.05 -0.04 1.90 1.64 1ww9A1 ARG 224 HB3 -0.04 0.05 -0.03 -0.04 1.80 1.74 1ww9A1 ARG 224 HG2 -0.19 0.39 0.03 -0.04 1.67 1.86 1ww9A1 ARG 224 HG3 -0.11 -0.25 -0.10 -0.04 1.67 1.17 1ww9A1 ARG 224 HD2 -0.51 -0.15 -0.07 -0.04 3.22 2.46 1ww9A1 ARG 224 HD3 -0.78 0.20 -0.03 -0.04 3.22 2.57 1ww9A1 LYS 225 H 0.32 0.29 0.23 -0.55 8.42 8.71 1ww9A1 LYS 225 HA 0.09 0.30 1.01 -0.75 4.32 4.96 1ww9A1 LYS 225 HB2 0.12 -0.05 0.20 -0.04 1.87 2.09 1ww9A1 LYS 225 HB3 -0.06 -0.04 0.08 -0.04 1.79 1.73 1ww9A1 LYS 225 HG2 0.03 0.25 -0.21 -0.04 1.46 1.49 1ww9A1 LYS 225 HG3 -0.05 0.03 0.04 -0.04 1.46 1.44 1ww9A1 LYS 225 HD2 -0.69 -0.09 0.13 -0.04 1.69 1.00 1ww9A1 LYS 225 HD3 -0.12 0.11 0.14 -0.04 1.68 1.76 1ww9A1 LYS 225 HE2 -0.25 -0.01 0.03 -0.04 2.99 2.72 1ww9A1 LYS 225 HE3 -0.22 -0.00 0.06 -0.04 2.99 2.78 1ww9A1 GLY 226 H -0.09 0.50 0.36 -0.55 8.43 8.65 1ww9A1 GLY 226 HA2 -0.25 0.09 0.73 -0.51 4.01 4.07 1ww9A1 GLY 226 HA3 -1.30 0.06 0.48 -0.51 4.01 2.74 1ww9A1 VAL 227 H -0.88 0.63 0.42 -0.55 8.24 7.86 1ww9A1 VAL 227 HA -0.21 0.22 1.08 -0.75 4.13 4.47 1ww9A1 VAL 227 HB -0.27 -0.02 0.05 -0.04 2.12 1.83 1ww9A1 VAL 227 HG13 0.15 0.01 -0.15 -0.04 0.97 0.93 1ww9A1 VAL 227 HG23 -0.03 -0.01 -0.32 -0.04 0.95 0.55 1ww9A1 TYR 228 H 0.10 0.47 0.36 -0.55 8.29 8.67 1ww9A1 TYR 228 HA 0.02 0.29 1.08 -0.75 4.56 5.20 1ww9A1 TYR 228 HB2 -0.02 -0.06 0.20 -0.04 3.06 3.15 1ww9A1 TYR 228 HB3 0.01 0.06 -0.03 -0.04 2.98 2.98 1ww9A1 TYR 228 HD2 -0.01 0.06 -0.07 -0.04 7.15 7.09 1ww9A1 TYR 228 HE2 0.22 -0.01 -0.12 -0.04 6.85 6.89 1ww9A1 ASP 229 H 0.20 0.78 0.39 -0.55 8.40 9.22 1ww9A1 ASP 229 HA -0.08 0.08 0.86 -0.75 4.63 4.73 1ww9A1 ASP 229 HB2 -0.62 0.06 0.11 -0.04 2.71 2.21 1ww9A1 ASP 229 HB3 -0.09 0.06 0.28 -0.04 2.70 2.90 1ww9A1 LEU 230 H -0.04 0.66 0.33 -0.55 8.37 8.77 1ww9A1 LEU 230 HA -0.06 0.18 0.88 -0.75 4.35 4.60 1ww9A1 LEU 230 HB2 -0.01 0.19 -0.22 -0.04 1.64 1.57 1ww9A1 LEU 230 HB3 -0.05 -0.07 0.14 -0.04 1.64 1.63 1ww9A1 LEU 230 HG 0.05 -0.04 -0.33 -0.04 1.64 1.29 1ww9A1 LEU 230 HD13 0.00 0.03 -0.23 -0.04 0.93 0.69 1ww9A1 LEU 230 HD23 -0.02 0.02 -0.18 -0.04 0.89 0.68 1ww9A1 ILE 231 H -0.21 0.14 -0.16 -0.55 8.25 7.48 1ww9A1 ILE 231 HA -0.13 0.07 0.42 -0.75 4.18 3.79 1ww9A1 ILE 231 HB -0.28 0.02 0.15 -0.04 1.89 1.73 1ww9A1 ILE 231 HG12 -0.23 -0.00 -0.11 -0.04 1.49 1.10 1ww9A1 ILE 231 HG13 -0.14 -0.02 0.08 -0.04 1.21 1.09 1ww9A1 ILE 231 HG23 -0.80 0.02 -0.15 -0.04 0.93 -0.04 1ww9A1 ILE 231 HD13 -0.18 -0.00 -0.02 -0.04 0.88 0.64 1ww9A1 GLY 232 H -0.22 0.14 -0.39 -0.55 8.43 7.41 1ww9A1 GLY 232 HA2 -0.08 0.12 0.43 -0.51 4.01 3.97 1ww9A1 GLY 232 HA3 -0.11 0.08 0.24 -0.51 4.01 3.71 1ww9A1 GLU 233 H -0.12 0.44 -0.24 -0.55 8.60 8.13 1ww9A1 GLU 233 HA -0.14 0.12 0.53 -0.75 4.29 4.04 1ww9A1 GLU 233 HB2 -0.33 0.10 0.11 -0.04 2.09 1.92 1ww9A1 GLU 233 HB3 -0.39 -0.05 0.06 -0.04 1.99 1.57 1ww9A1 GLU 233 HG2 -0.11 -0.00 -0.00 -0.04 2.34 2.19 1ww9A1 GLU 233 HG3 -0.11 0.02 0.11 -0.04 2.34 2.32 1ww9A1 HIS 234 H -0.05 0.09 -0.07 -0.55 8.41 7.83 1ww9A1 HIS 234 HA 0.01 0.20 0.85 -0.75 4.63 4.94 1ww9A1 HIS 234 HB2 -0.01 0.23 -0.14 -0.04 3.26 3.30 1ww9A1 HIS 234 HB3 -0.00 -0.17 -0.23 -0.04 3.20 2.75 1ww9A1 HIS 234 HD2 -0.02 0.13 -0.06 -0.04 6.97 6.98 1ww9A1 HIS 234 HE1 -0.00 -0.02 -0.03 -0.04 7.75 7.65 1ww9A1 GLY 235 H 0.02 0.08 -0.06 -0.55 8.43 7.92 1ww9A1 GLY 235 HA2 0.07 0.18 0.68 -0.51 4.01 4.43 1ww9A1 GLY 235 HA3 0.05 0.01 0.28 -0.51 4.01 3.84 1ww9A1 VAL 236 H 0.09 0.53 0.27 -0.55 8.24 8.58 1ww9A1 VAL 236 HA 0.11 0.25 0.87 -0.75 4.13 4.61 1ww9A1 VAL 236 HB 0.07 -0.08 0.15 -0.04 2.12 2.23 1ww9A1 VAL 236 HG13 0.09 0.03 -0.06 -0.04 0.97 0.99 1ww9A1 VAL 236 HG23 0.07 0.01 -0.07 -0.04 0.95 0.92 1ww9A1 PRO 237 HA -0.12 0.12 0.64 -0.51 4.44 4.56 1ww9A1 PRO 237 HB2 -0.30 -0.01 -0.03 -0.04 2.28 1.90 1ww9A1 PRO 237 HB3 0.08 0.07 0.09 -0.04 2.02 2.21 1ww9A1 PRO 237 HG2 0.32 -0.04 0.07 -0.04 2.03 2.34 1ww9A1 PRO 237 HG3 0.29 0.08 0.06 -0.04 2.03 2.41 1ww9A1 PRO 237 HD2 0.15 0.07 0.25 -0.04 3.68 4.10 1ww9A1 PRO 237 HD3 0.17 0.25 0.16 -0.04 3.65 4.19 1ww9A1 VAL 238 H -0.42 0.68 0.17 -0.55 8.24 8.12 1ww9A1 VAL 238 HA -0.03 0.16 0.80 -0.75 4.13 4.30 1ww9A1 VAL 238 HB -0.20 -0.14 -0.07 -0.04 2.12 1.67 1ww9A1 VAL 238 HG13 -0.03 -0.00 -0.23 -0.04 0.97 0.66 1ww9A1 VAL 238 HG23 -0.04 0.02 -0.26 -0.04 0.95 0.62 1ww9A1 PHE 239 H 0.17 0.20 0.16 -0.55 8.34 8.32 1ww9A1 PHE 239 HA -0.04 0.11 0.96 -0.75 4.62 4.89 1ww9A1 PHE 239 HB2 0.14 0.05 0.03 -0.04 3.15 3.33 1ww9A1 PHE 239 HB3 0.21 0.00 0.04 -0.04 3.06 3.27 1ww9A1 PHE 239 HD2 -0.11 -0.01 -0.16 -0.04 7.28 6.96 1ww9A1 PHE 239 HE2 -0.02 0.09 -0.20 -0.04 7.38 7.20 1ww9A1 PHE 239 HZ 0.03 0.06 -0.14 -0.04 7.32 7.23 1ww9A1 GLU 240 H 0.11 0.07 0.06 -0.55 8.60 8.29 1ww9A1 GLU 240 HA 0.12 0.29 1.10 -0.75 4.29 5.04 1ww9A1 GLU 240 HB2 0.10 -0.05 0.12 -0.04 2.09 2.23 1ww9A1 GLU 240 HB3 0.08 0.02 -0.05 -0.04 1.99 2.00 1ww9A1 GLU 240 HG2 0.13 0.06 -0.02 -0.04 2.34 2.48 1ww9A1 GLU 240 HG3 0.21 -0.05 -0.29 -0.04 2.34 2.17 1ww9A1 GLY 241 H 0.07 0.98 0.30 -0.55 8.43 9.23 1ww9A1 GLY 241 HA2 0.03 0.07 0.67 -0.51 4.01 4.26 1ww9A1 GLY 241 HA3 0.06 0.04 0.30 -0.51 4.01 3.90 1ww9A1 THR 242 H 0.02 0.20 0.16 -0.55 8.28 8.11 1ww9A1 THR 242 HA 0.03 0.41 1.02 -0.75 4.39 5.09 1ww9A1 THR 242 HB 0.02 -0.18 -0.42 -0.04 4.32 3.70 1ww9A1 THR 242 HG23 0.03 0.03 -0.47 -0.04 1.22 0.77 1ww9A1 ILE 243 H 0.01 0.67 0.16 -0.55 8.25 8.54 1ww9A1 ILE 243 HA -0.00 0.14 0.85 -0.75 4.18 4.42 1ww9A1 ILE 243 HB 0.01 0.04 0.13 -0.04 1.89 2.03 1ww9A1 ILE 243 HG12 -0.01 0.05 -0.05 -0.04 1.49 1.43 1ww9A1 ILE 243 HG13 0.01 -0.05 -0.39 -0.04 1.21 0.74 1ww9A1 ILE 243 HG23 -0.00 0.00 -0.09 -0.04 0.93 0.80 1ww9A1 ILE 243 HD13 0.00 0.01 -0.05 -0.04 0.88 0.80 1ww9A1 GLY 244 H 0.00 0.20 0.08 -0.55 8.43 8.17 1ww9A1 GLY 244 HA2 0.00 0.05 0.32 -0.51 4.01 3.88 1ww9A1 GLY 244 HA3 0.00 0.12 0.46 -0.51 4.01 4.08 1ww9A1 GLY 245 H 0.01 0.04 -0.43 -0.55 8.43 7.50 1ww9A1 GLY 245 HA2 0.01 0.00 0.19 -0.51 4.01 3.71 1ww9A1 GLY 245 HA3 0.01 0.16 0.47 -0.51 4.01 4.14 1ww9A1 GLU 246 H 0.01 0.41 -0.60 -0.55 8.60 7.88 1ww9A1 GLU 246 HA 0.02 0.10 0.64 -0.75 4.29 4.30 1ww9A1 GLU 246 HB2 0.01 0.02 0.01 -0.04 2.09 2.10 1ww9A1 GLU 246 HB3 0.01 0.06 0.09 -0.04 1.99 2.12 1ww9A1 GLU 246 HG2 0.02 0.11 -0.32 -0.04 2.34 2.10 1ww9A1 GLU 246 HG3 0.02 -0.03 0.01 -0.04 2.34 2.29 1ww9A1 VAL 247 H 0.03 0.15 0.14 -0.55 8.24 8.00 1ww9A1 VAL 247 HA 0.04 0.15 0.44 -0.75 4.13 4.01 1ww9A1 VAL 247 HB 0.04 -0.01 0.14 -0.04 2.12 2.24 1ww9A1 VAL 247 HG13 0.06 0.00 -0.17 -0.04 0.97 0.82 1ww9A1 VAL 247 HG23 0.04 0.01 -0.04 -0.04 0.95 0.92 1ww9A1 VAL 248 H 0.04 0.68 0.46 -0.55 8.24 8.87 1ww9A1 VAL 248 HA 0.03 0.19 0.94 -0.75 4.13 4.54 1ww9A1 VAL 248 HB 0.03 -0.03 0.09 -0.04 2.12 2.17 1ww9A1 VAL 248 HG13 0.02 0.03 -0.13 -0.04 0.97 0.85 1ww9A1 VAL 248 HG23 0.04 0.02 -0.12 -0.04 0.95 0.84 1ww9A1 ARG 249 H 0.05 0.27 0.23 -0.55 8.46 8.46 1ww9A1 ARG 249 HA 0.04 0.12 0.58 -0.75 4.34 4.33 1ww9A1 ARG 249 HB2 0.07 0.13 -0.11 -0.04 1.90 1.95 1ww9A1 ARG 249 HB3 0.10 -0.12 -0.04 -0.04 1.80 1.70 1ww9A1 ARG 249 HG2 0.05 -0.03 -0.08 -0.04 1.67 1.57 1ww9A1 ARG 249 HG3 0.03 0.09 -0.27 -0.04 1.67 1.47 1ww9A1 ARG 249 HD2 0.01 -0.04 0.18 -0.04 3.22 3.33 1ww9A1 ARG 249 HD3 -0.01 -0.04 0.04 -0.04 3.22 3.17 1ww9A1 GLU 250 H 0.04 0.24 0.20 -0.55 8.60 8.53 1ww9A1 GLU 250 HA 0.09 0.24 1.15 -0.75 4.29 5.01 1ww9A1 GLU 250 HB2 0.09 -0.00 0.10 -0.04 2.09 2.24 1ww9A1 GLU 250 HB3 0.17 0.08 0.14 -0.04 1.99 2.34 1ww9A1 GLU 250 HG2 0.14 -0.00 -0.03 -0.04 2.34 2.41 1ww9A1 GLU 250 HG3 0.10 -0.08 -0.19 -0.04 2.34 2.12 1ww9A1 GLY 251 H 0.04 0.42 0.31 -0.55 8.43 8.65 1ww9A1 GLY 251 HA2 -0.08 0.13 0.56 -0.51 4.01 4.11 1ww9A1 GLY 251 HA3 -0.04 -0.02 0.45 -0.51 4.01 3.89 1ww9A1 ALA 252 H -0.03 0.73 0.31 -0.55 8.40 8.87 1ww9A1 ALA 252 HA -0.18 0.13 0.86 -0.75 4.34 4.39 1ww9A1 ALA 252 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 1ww9A1 TYR 253 H -0.06 0.17 0.08 -0.55 8.29 7.92 1ww9A1 TYR 253 HA -0.06 0.18 0.78 -0.75 4.56 4.70 1ww9A1 TYR 253 HB2 -0.03 -0.02 0.14 -0.04 3.06 3.11 1ww9A1 TYR 253 HB3 -0.09 0.01 0.14 -0.04 2.98 3.00 1ww9A1 TYR 253 HD2 -0.23 0.03 -0.06 -0.04 7.15 6.85 1ww9A1 TYR 253 HE2 -0.17 -0.04 -0.07 -0.04 6.85 6.53 1ww9A1 GLY 254 H 0.06 0.31 -0.35 -0.55 8.43 7.91 1ww9A1 GLY 254 HA2 0.06 -0.01 0.34 -0.51 4.01 3.88 1ww9A1 GLY 254 HA3 0.05 0.16 -0.44 -0.51 4.01 3.27 1ww9A1 GLU 255 H 0.04 0.13 0.15 -0.55 8.60 8.37 1ww9A1 GLU 255 HA 0.03 0.12 0.58 -0.75 4.29 4.27 1ww9A1 GLU 255 HB2 0.02 0.01 0.15 -0.04 2.09 2.24 1ww9A1 GLU 255 HB3 0.02 -0.04 0.02 -0.04 1.99 1.95 1ww9A1 GLU 255 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 1ww9A1 GLU 255 HG3 0.02 -0.04 0.03 -0.04 2.34 2.31 1ww9A1 LYS 256 H 0.03 0.55 0.16 -0.55 8.42 8.61 1ww9A1 LYS 256 HA 0.02 -0.01 0.57 -0.75 4.32 4.15 1ww9A1 LYS 256 HB2 0.02 0.10 0.07 -0.04 1.87 2.01 1ww9A1 LYS 256 HB3 0.00 -0.03 -0.05 -0.04 1.79 1.67 1ww9A1 LYS 256 HG2 0.02 -0.09 0.02 -0.04 1.46 1.38 1ww9A1 LYS 256 HG3 0.03 0.02 0.09 -0.04 1.46 1.55 1ww9A1 LYS 256 HD2 0.04 0.43 0.07 -0.04 1.69 2.19 1ww9A1 LYS 256 HD3 0.03 -0.12 0.04 -0.04 1.68 1.59 1ww9A1 LYS 256 HE2 0.05 -0.08 0.00 -0.04 2.99 2.92 1ww9A1 LYS 256 HE3 0.05 0.00 -0.04 -0.04 2.99 2.96 1ww9A1 ILE 257 H 0.03 0.13 0.24 -0.55 8.25 8.10 1ww9A1 ILE 257 HA 0.06 0.15 0.76 -0.75 4.18 4.39 1ww9A1 ILE 257 HB 0.03 -0.06 0.19 -0.04 1.89 2.02 1ww9A1 ILE 257 HG12 0.05 -0.04 0.03 -0.04 1.49 1.48 1ww9A1 ILE 257 HG13 0.07 0.05 -0.03 -0.04 1.21 1.25 1ww9A1 ILE 257 HG23 0.06 -0.00 -0.12 -0.04 0.93 0.83 1ww9A1 ILE 257 HD13 0.03 -0.01 0.04 -0.04 0.88 0.90 1ww9A1 VAL 258 H 0.08 0.30 0.19 -0.55 8.24 8.26 1ww9A1 VAL 258 HA 0.05 0.16 0.80 -0.75 4.13 4.38 1ww9A1 VAL 258 HB 0.15 0.15 0.10 -0.04 2.12 2.48 1ww9A1 VAL 258 HG13 -0.07 -0.02 -0.60 -0.04 0.97 0.24 1ww9A1 VAL 258 HG23 0.10 0.01 -0.17 -0.04 0.95 0.85 1ww9A1 ALA 259 H 0.14 0.78 0.06 -0.55 8.40 8.83 1ww9A1 ALA 259 HA 0.05 -0.06 0.06 -0.75 4.34 3.64 1ww9A1 ALA 259 HB3 0.02 0.03 -0.07 -0.04 1.41 1.35 1ww9A1 ASN 260 H 0.05 0.18 -0.20 -0.55 8.53 8.01 1ww9A1 ASN 260 HA 0.04 0.16 0.71 -0.75 4.76 4.92 1ww9A1 ASN 260 HB2 0.03 -0.04 0.12 -0.04 2.88 2.95 1ww9A1 ASN 260 HB3 0.05 0.04 -0.04 -0.04 2.79 2.80 1ww9A1 ASN 260 HD21 0.03 -0.01 -0.02 -0.04 7.03 6.98 1ww9A1 ASN 260 HD22 0.03 -0.02 -0.03 -0.04 7.74 7.68 1ww9A1 ASP 261 H 0.05 0.14 -0.25 -0.55 8.40 7.80 1ww9A1 ASP 261 HA 0.11 0.12 0.81 -0.75 4.63 4.92 1ww9A1 ASP 261 HB2 0.07 -0.00 -0.07 -0.04 2.71 2.66 1ww9A1 ASP 261 HB3 0.09 -0.03 0.27 -0.04 2.70 2.98 1ww9A1 ILE 262 H 0.13 0.25 0.13 -0.55 8.25 8.21 1ww9A1 ILE 262 HA 0.07 0.39 1.21 -0.75 4.18 5.09 1ww9A1 ILE 262 HB 0.03 -0.07 0.16 -0.04 1.89 1.98 1ww9A1 ILE 262 HG12 0.00 -0.01 -0.08 -0.04 1.49 1.36 1ww9A1 ILE 262 HG13 0.03 -0.13 -0.47 -0.04 1.21 0.59 1ww9A1 ILE 262 HG23 0.14 0.01 -0.10 -0.04 0.93 0.94 1ww9A1 ILE 262 HD13 -0.01 0.03 -0.03 -0.04 0.88 0.83 1ww9A1 SER 263 H 0.02 0.61 0.41 -0.55 8.46 8.95 1ww9A1 SER 263 HA -0.27 0.28 1.10 -0.75 4.49 4.84 1ww9A1 SER 263 HB2 -1.24 0.02 -0.06 -0.04 3.95 2.63 1ww9A1 SER 263 HB3 -1.28 -0.05 -0.14 -0.04 3.93 2.42 1ww9A1 ILE 264 H -1.03 0.52 0.41 -0.55 8.25 7.60 1ww9A1 ILE 264 HA -0.43 0.24 1.01 -0.75 4.18 4.25 1ww9A1 ILE 264 HB -1.26 0.01 -0.04 -0.04 1.89 0.55 1ww9A1 ILE 264 HG12 -1.59 -0.04 -0.13 -0.04 1.49 -0.30 1ww9A1 ILE 264 HG13 -0.88 0.04 -0.18 -0.04 1.21 0.15 1ww9A1 ILE 264 HG23 -1.16 0.00 0.04 -0.04 0.93 -0.23 1ww9A1 ILE 264 HD13 -0.36 0.04 -0.24 -0.04 0.88 0.28 1ww9A1 TRP 265 H -0.06 0.57 0.33 -0.55 7.97 8.27 1ww9A1 TRP 265 HA 0.00 0.18 1.17 -0.75 4.62 5.21 1ww9A1 TRP 265 HB2 -0.13 0.00 -0.09 -0.04 3.23 2.98 1ww9A1 TRP 265 HB3 -0.04 0.13 -0.01 -0.04 3.23 3.27 1ww9A1 TRP 265 HD1 -0.22 0.21 -0.16 -0.04 7.22 7.01 1ww9A1 TRP 265 HE1 -0.22 -0.01 -0.15 -0.04 10.20 9.79 1ww9A1 TRP 265 HE3 -0.03 0.07 -0.48 -0.04 7.59 7.11 1ww9A1 TRP 265 HZ2 -0.20 -0.01 -0.11 -0.04 7.44 7.08 1ww9A1 TRP 265 HZ3 0.01 0.00 -0.26 -0.04 7.13 6.84 1ww9A1 TRP 265 HH2 0.15 -0.05 -0.11 -0.04 7.19 7.13 1ww9A1 LEU 266 H 0.33 0.60 0.33 -0.55 8.37 9.09 1ww9A1 LEU 266 HA 0.44 -0.02 0.38 -0.75 4.35 4.40 1ww9A1 LEU 266 HB2 0.20 0.07 0.17 -0.04 1.64 2.05 1ww9A1 LEU 266 HB3 0.03 0.04 0.03 -0.04 1.64 1.70 1ww9A1 LEU 266 HG 0.20 -0.06 -0.07 -0.04 1.64 1.67 1ww9A1 LEU 266 HD13 0.03 0.03 -0.21 -0.04 0.93 0.74 1ww9A1 LEU 266 HD23 0.10 -0.02 -0.01 -0.04 0.89 0.91 1ww9A1 PRO 267 HA 0.04 0.01 0.38 -0.51 4.44 4.36 1ww9A1 PRO 267 HB2 0.01 -0.01 0.12 -0.04 2.28 2.36 1ww9A1 PRO 267 HB3 -0.60 0.02 0.11 -0.04 2.02 1.50 1ww9A1 PRO 267 HG2 0.12 -0.01 -0.02 -0.04 2.03 2.07 1ww9A1 PRO 267 HG3 -0.50 0.23 0.09 -0.04 2.03 1.81 1ww9A1 PRO 267 HD2 0.17 0.22 0.33 -0.04 3.68 4.36 1ww9A1 PRO 267 HD3 0.11 0.03 0.25 -0.04 3.65 3.99 1ww9A1 GLY 268 H 0.21 0.30 0.02 -0.55 8.43 8.41 1ww9A1 GLY 268 HA2 0.19 -0.04 0.32 -0.51 4.01 3.97 1ww9A1 GLY 268 HA3 0.52 0.13 0.85 -0.51 4.01 5.00 1ww9A1 VAL 269 H -0.04 0.60 0.32 -0.55 8.24 8.57 1ww9A1 VAL 269 HA -0.47 0.28 1.03 -0.75 4.13 4.22 1ww9A1 VAL 269 HB -1.78 0.02 -0.12 -0.04 2.12 0.20 1ww9A1 VAL 269 HG13 -0.25 -0.01 -0.13 -0.04 0.97 0.54 1ww9A1 VAL 269 HG23 -1.61 -0.01 -0.28 -0.04 0.95 -0.98 1ww9A1 LEU 270 H -0.27 0.67 0.36 -0.55 8.37 8.59 1ww9A1 LEU 270 HA -0.07 0.25 1.07 -0.75 4.35 4.84 1ww9A1 LEU 270 HB2 0.10 -0.04 0.00 -0.04 1.64 1.66 1ww9A1 LEU 270 HB3 0.04 -0.04 0.11 -0.04 1.64 1.71 1ww9A1 LEU 270 HG 0.02 0.02 -0.23 -0.04 1.64 1.41 1ww9A1 LEU 270 HD13 0.04 0.02 -0.26 -0.04 0.93 0.70 1ww9A1 LEU 270 HD23 0.11 -0.02 -0.14 -0.04 0.89 0.80 1ww9A1 LYS 271 H 0.04 0.71 0.43 -0.55 8.42 9.05 1ww9A1 LYS 271 HA -0.07 0.36 1.16 -0.75 4.32 5.01 1ww9A1 LYS 271 HB2 0.21 -0.02 -0.03 -0.04 1.87 1.99 1ww9A1 LYS 271 HB3 0.25 -0.07 0.16 -0.04 1.79 2.09 1ww9A1 LYS 271 HG2 -0.01 -0.01 -0.31 -0.04 1.46 1.09 1ww9A1 LYS 271 HG3 -0.20 0.02 -0.06 -0.04 1.46 1.19 1ww9A1 LYS 271 HD2 0.28 0.06 -0.08 -0.04 1.69 1.91 1ww9A1 LYS 271 HD3 0.25 -0.08 -0.08 -0.04 1.68 1.73 1ww9A1 LYS 271 HE2 0.11 -0.04 -0.14 -0.04 2.99 2.87 1ww9A1 LYS 271 HE3 0.17 -0.02 -0.12 -0.04 2.99 2.99 1ww9A1 VAL 272 H -0.16 0.67 0.35 -0.55 8.24 8.55 1ww9A1 VAL 272 HA -0.02 0.27 1.09 -0.75 4.13 4.72 1ww9A1 VAL 272 HB -0.14 -0.07 0.12 -0.04 2.12 1.99 1ww9A1 VAL 272 HG13 -0.21 -0.00 -0.15 -0.04 0.97 0.56 1ww9A1 VAL 272 HG23 -0.09 0.01 -0.17 -0.04 0.95 0.66 1ww9A1 ASN 273 H 0.02 0.72 0.27 -0.55 8.53 9.00 1ww9A1 ASN 273 HA -0.01 0.09 0.98 -0.75 4.76 5.06 1ww9A1 ASN 273 HB2 -0.05 -0.00 -0.13 -0.04 2.88 2.66 1ww9A1 ASN 273 HB3 0.04 0.02 0.05 -0.04 2.79 2.87 1ww9A1 ASN 273 HD21 0.02 -0.01 -0.11 -0.04 7.03 6.90 1ww9A1 ASN 273 HD22 0.05 -0.04 -0.10 -0.04 7.74 7.61 1ww9A1 PRO 274 HA -0.02 0.28 0.63 -0.51 4.44 4.81 1ww9A1 PRO 274 HB2 -0.05 0.06 0.05 -0.04 2.28 2.30 1ww9A1 PRO 274 HB3 -0.02 0.06 0.12 -0.04 2.02 2.14 1ww9A1 PRO 274 HG2 0.01 -0.02 0.20 -0.04 2.03 2.18 1ww9A1 PRO 274 HG3 -0.00 0.11 0.18 -0.04 2.03 2.28 1ww9A1 PRO 274 HD2 0.04 -0.10 0.46 -0.04 3.68 4.03 1ww9A1 PRO 274 HD3 0.02 0.13 0.01 -0.04 3.65 3.76 1ww9A1 PHE 275 H -0.05 0.65 0.09 -0.55 8.34 8.48 1ww9A1 PHE 275 HA -0.17 0.01 0.27 -0.75 4.62 3.97 1ww9A1 PHE 275 HB2 -0.11 0.04 -0.44 -0.04 3.15 2.60 1ww9A1 PHE 275 HB3 -0.13 0.05 -0.20 -0.04 3.06 2.75 1ww9A1 PHE 275 HD2 -0.15 0.01 -0.22 -0.04 7.28 6.89 1ww9A1 PHE 275 HE2 -0.38 -0.00 -0.12 -0.04 7.38 6.84 1ww9A1 PHE 275 HZ -2.07 -0.02 -0.09 -0.04 7.32 5.10 1ww9A1 PRO 276 HA -2.16 0.10 0.23 -0.51 4.44 2.10 1ww9A1 PRO 276 HB2 -0.48 0.05 0.01 -0.04 2.28 1.81 1ww9A1 PRO 276 HB3 -0.79 0.01 0.02 -0.04 2.02 1.22 1ww9A1 PRO 276 HG2 -1.16 0.02 -0.09 -0.04 2.03 0.77 1ww9A1 PRO 276 HG3 -0.16 -0.02 0.03 -0.04 2.03 1.84 1ww9A1 PRO 276 HD2 -0.45 0.12 0.36 -0.04 3.68 3.67 1ww9A1 PRO 276 HD3 -0.10 0.10 0.01 -0.04 3.65 3.62 1ww9A1 ASN 277 H -0.50 0.19 -0.21 -0.55 8.53 7.46 1ww9A1 ASN 277 HA -0.20 0.31 0.73 -0.75 4.76 4.85 1ww9A1 ASN 277 HB2 -0.96 -0.00 -0.18 -0.04 2.88 1.69 1ww9A1 ASN 277 HB3 -0.38 -0.11 -0.09 -0.04 2.79 2.17 1ww9A1 ASN 277 HD21 0.11 0.04 -0.02 -0.04 7.03 7.12 1ww9A1 ASN 277 HD22 0.00 -0.11 -0.08 -0.04 7.74 7.51 1ww9A1 PRO 278 HA -0.05 0.14 0.41 -0.51 4.44 4.44 1ww9A1 PRO 278 HB2 -0.02 -0.03 0.03 -0.04 2.28 2.23 1ww9A1 PRO 278 HB3 -0.01 0.07 0.16 -0.04 2.02 2.20 1ww9A1 PRO 278 HG2 -0.00 0.01 0.08 -0.04 2.03 2.07 1ww9A1 PRO 278 HG3 -0.02 0.21 0.01 -0.04 2.03 2.20 1ww9A1 PRO 278 HD2 -0.02 0.07 0.15 -0.04 3.68 3.84 1ww9A1 PRO 278 HD3 -0.05 0.21 0.12 -0.04 3.65 3.89 1ww9A1 ASP 279 H -0.11 -0.01 -0.63 -0.55 8.40 7.11 1ww9A1 ASP 279 HA -0.06 0.24 0.94 -0.75 4.63 5.00 1ww9A1 ASP 279 HB2 -0.05 -0.00 0.17 -0.04 2.71 2.79 1ww9A1 ASP 279 HB3 -0.03 -0.01 -0.05 -0.04 2.70 2.57 1ww9A1 MET 280 H -0.16 0.51 -0.03 -0.55 8.47 8.24 1ww9A1 MET 280 HA -0.16 0.26 1.04 -0.75 4.52 4.91 1ww9A1 MET 280 HB2 -0.37 -0.20 -0.19 -0.04 2.15 1.36 1ww9A1 MET 280 HB3 -0.24 0.14 0.17 -0.04 2.03 2.06 1ww9A1 MET 280 HG2 -0.28 0.09 -0.09 -0.04 2.63 2.30 1ww9A1 MET 280 HG3 -0.31 -0.18 -0.41 -0.04 2.56 1.62 1ww9A1 MET 280 HE3 -0.28 0.02 -0.05 -0.04 2.10 1.75 1ww9A1 MET 281 H -0.11 0.56 0.48 -0.55 8.47 8.85 1ww9A1 MET 281 HA -0.13 0.13 1.12 -0.75 4.52 4.88 1ww9A1 MET 281 HB2 -0.22 -0.07 0.01 -0.04 2.15 1.82 1ww9A1 MET 281 HB3 -0.53 0.04 0.03 -0.04 2.03 1.53 1ww9A1 MET 281 HG2 -0.08 0.01 -0.03 -0.04 2.63 2.49 1ww9A1 MET 281 HG3 -0.06 -0.04 -0.33 -0.04 2.56 2.09 1ww9A1 MET 281 HE3 0.27 -0.02 -0.18 -0.04 2.10 2.14 1ww9A1 GLN 282 H -0.26 0.57 0.41 -0.55 8.47 8.65 1ww9A1 GLN 282 HA -0.03 0.24 1.24 -0.75 4.36 5.05 1ww9A1 GLN 282 HB2 0.13 0.01 -0.10 -0.04 2.15 2.15 1ww9A1 GLN 282 HB3 -0.02 -0.08 0.12 -0.04 2.02 2.00 1ww9A1 GLN 282 HG2 0.09 -0.02 -0.20 -0.04 2.40 2.23 1ww9A1 GLN 282 HG3 0.15 0.17 0.10 -0.04 2.39 2.76 1ww9A1 GLN 282 HE21 0.25 -0.03 -0.11 -0.04 6.97 7.04 1ww9A1 GLN 282 HE22 0.18 0.02 -0.11 -0.04 7.69 7.74 1ww9A1 PHE 283 H 0.24 0.65 0.30 -0.55 8.34 8.98 1ww9A1 PHE 283 HA -0.07 0.38 1.06 -0.75 4.62 5.24 1ww9A1 PHE 283 HB2 0.38 -0.05 0.09 -0.04 3.15 3.53 1ww9A1 PHE 283 HB3 -0.25 0.03 -0.01 -0.04 3.06 2.78 1ww9A1 PHE 283 HD2 0.14 0.02 -0.16 -0.04 7.28 7.25 1ww9A1 PHE 283 HE2 0.08 0.06 -0.20 -0.04 7.38 7.28 1ww9A1 PHE 283 HZ 0.08 -0.03 -0.30 -0.04 7.32 7.03 1ww9A1 GLU 284 H -0.10 0.57 0.32 -0.55 8.60 8.83 1ww9A1 GLU 284 HA 0.34 0.34 1.14 -0.75 4.29 5.35 1ww9A1 GLU 284 HB2 0.15 0.06 -0.07 -0.04 2.09 2.18 1ww9A1 GLU 284 HB3 0.14 -0.07 -0.04 -0.04 1.99 1.98 1ww9A1 GLU 284 HG2 0.08 0.02 -0.05 -0.04 2.34 2.34 1ww9A1 GLU 284 HG3 -0.04 -0.05 0.01 -0.04 2.34 2.21 1ww9A1 TRP 285 H 0.60 0.64 0.36 -0.55 7.97 9.03 1ww9A1 TRP 285 HA -0.16 0.27 1.06 -0.75 4.62 5.04 1ww9A1 TRP 285 HB2 0.07 -0.05 0.18 -0.04 3.23 3.39 1ww9A1 TRP 285 HB3 0.07 0.02 0.02 -0.04 3.23 3.30 1ww9A1 TRP 285 HD1 0.08 0.04 -0.06 -0.04 7.22 7.25 1ww9A1 TRP 285 HE1 0.01 0.23 -0.00 -0.04 10.20 10.39 1ww9A1 TRP 285 HE3 0.20 0.13 -0.06 -0.04 7.59 7.82 1ww9A1 TRP 285 HZ2 -0.43 0.04 -0.05 -0.04 7.44 6.95 1ww9A1 TRP 285 HZ3 0.10 0.03 -0.18 -0.04 7.13 7.04 1ww9A1 TRP 285 HH2 -2.01 -0.04 -0.13 -0.04 7.19 4.98 1ww9A1 TYR 286 H 0.32 0.57 0.18 -0.55 8.29 8.81 1ww9A1 TYR 286 HA 0.50 0.21 0.87 -0.75 4.56 5.39 1ww9A1 TYR 286 HB2 0.30 0.02 0.25 -0.04 3.06 3.59 1ww9A1 TYR 286 HB3 0.04 -0.06 0.08 -0.04 2.98 3.01 1ww9A1 TYR 286 HD2 0.12 0.02 -0.11 -0.04 7.15 7.15 1ww9A1 TYR 286 HE2 -0.04 -0.04 -0.15 -0.04 6.85 6.58 1ww9A1 VAL 287 H 0.45 0.47 0.17 -0.55 8.24 8.78 1ww9A1 VAL 287 HA 0.14 0.23 0.74 -0.75 4.13 4.47 1ww9A1 VAL 287 HB 0.34 -0.16 0.21 -0.04 2.12 2.47 1ww9A1 VAL 287 HG13 -0.10 0.05 -0.08 -0.04 0.97 0.80 1ww9A1 VAL 287 HG23 0.18 0.10 0.03 -0.04 0.95 1.21 1ww9A1 PRO 288 HA 0.03 0.07 0.62 -0.51 4.44 4.65 1ww9A1 PRO 288 HB2 -0.44 0.03 0.11 -0.04 2.28 1.94 1ww9A1 PRO 288 HB3 -0.38 0.05 -0.07 -0.04 2.02 1.58 1ww9A1 PRO 288 HG2 -1.15 -0.01 0.17 -0.04 2.03 1.00 1ww9A1 PRO 288 HG3 -1.57 0.01 0.13 -0.04 2.03 0.56 1ww9A1 PRO 288 HD2 -0.84 0.09 0.26 -0.04 3.68 3.16 1ww9A1 PRO 288 HD3 -0.31 0.28 0.41 -0.04 3.65 3.99 1ww9A1 ILE 289 H 0.00 0.57 0.49 -0.55 8.25 8.76 1ww9A1 ILE 289 HA -0.10 0.20 0.78 -0.75 4.18 4.31 1ww9A1 ILE 289 HB -0.11 -0.02 -0.09 -0.04 1.89 1.63 1ww9A1 ILE 289 HG12 -0.50 0.19 0.03 -0.04 1.49 1.16 1ww9A1 ILE 289 HG13 -0.28 0.05 -0.11 -0.04 1.21 0.82 1ww9A1 ILE 289 HG23 -0.13 0.00 -0.16 -0.04 0.93 0.60 1ww9A1 ILE 289 HD13 -0.85 -0.02 -0.19 -0.04 0.88 -0.23 1ww9A1 ASP 290 H 0.00 0.45 0.36 -0.55 8.40 8.66 1ww9A1 ASP 290 HA -0.01 0.17 0.35 -0.75 4.63 4.39 1ww9A1 ASP 290 HB2 0.01 -0.03 0.17 -0.04 2.71 2.81 1ww9A1 ASP 290 HB3 -0.01 0.17 -0.03 -0.04 2.70 2.79 1ww9A1 GLU 291 H 0.03 0.17 0.11 -0.55 8.60 8.37 1ww9A1 GLU 291 HA 0.11 0.31 0.43 -0.75 4.29 4.39 1ww9A1 GLU 291 HB2 0.07 0.04 0.12 -0.04 2.09 2.28 1ww9A1 GLU 291 HB3 0.06 0.01 0.04 -0.04 1.99 2.06 1ww9A1 GLU 291 HG2 0.04 -0.09 0.07 -0.04 2.34 2.32 1ww9A1 GLU 291 HG3 0.05 0.02 -0.15 -0.04 2.34 2.22 1ww9A1 ASN 292 H 0.05 -0.03 -0.42 -0.55 8.53 7.59 1ww9A1 ASN 292 HA 0.07 0.21 0.83 -0.75 4.76 5.12 1ww9A1 ASN 292 HB2 0.03 -0.00 -0.08 -0.04 2.88 2.78 1ww9A1 ASN 292 HB3 0.04 0.02 0.03 -0.04 2.79 2.84 1ww9A1 ASN 292 HD21 0.03 0.03 -0.05 -0.04 7.03 6.99 1ww9A1 ASN 292 HD22 0.02 0.01 -0.05 -0.04 7.74 7.68 1ww9A1 THR 293 H 0.08 0.24 -0.07 -0.55 8.28 7.98 1ww9A1 THR 293 HA 0.11 0.22 1.03 -0.75 4.39 5.00 1ww9A1 THR 293 HB -0.05 0.10 0.04 -0.04 4.32 4.37 1ww9A1 THR 293 HG23 0.01 -0.02 -0.36 -0.04 1.22 0.80 1ww9A1 HIS 294 H -0.11 0.55 0.43 -0.55 8.41 8.74 1ww9A1 HIS 294 HA 0.02 0.16 0.95 -0.75 4.63 5.00 1ww9A1 HIS 294 HB2 0.26 0.06 -0.17 -0.04 3.26 3.38 1ww9A1 HIS 294 HB3 0.23 -0.07 -0.29 -0.04 3.20 3.02 1ww9A1 HIS 294 HD2 0.39 0.17 -0.33 -0.04 6.97 7.16 1ww9A1 HIS 294 HE1 0.02 -0.06 -0.24 -0.04 7.75 7.42 1ww9A1 TYR 295 H 0.29 0.61 0.35 -0.55 8.29 8.99 1ww9A1 TYR 295 HA 0.10 0.18 0.84 -0.75 4.56 4.92 1ww9A1 TYR 295 HB2 0.12 -0.02 0.24 -0.04 3.06 3.36 1ww9A1 TYR 295 HB3 0.19 -0.02 -0.04 -0.04 2.98 3.07 1ww9A1 TYR 295 HD2 0.03 0.01 -0.07 -0.04 7.15 7.08 1ww9A1 TYR 295 HE2 0.00 0.01 -0.03 -0.04 6.85 6.80 1ww9A1 TYR 296 H 0.36 0.68 0.31 -0.55 8.29 9.09 1ww9A1 TYR 296 HA 0.41 0.25 0.87 -0.75 4.56 5.34 1ww9A1 TYR 296 HB2 0.22 -0.03 0.01 -0.04 3.06 3.22 1ww9A1 TYR 296 HB3 0.17 -0.05 0.19 -0.04 2.98 3.25 1ww9A1 TYR 296 HD2 0.23 0.09 -0.04 -0.04 7.15 7.39 1ww9A1 TYR 296 HE2 0.20 0.02 -0.12 -0.04 6.85 6.91 1ww9A1 PHE 297 H 0.48 0.59 0.06 -0.55 8.34 8.92 1ww9A1 PHE 297 HA 0.03 0.11 0.82 -0.75 4.62 4.82 1ww9A1 PHE 297 HB2 -0.00 0.02 -0.04 -0.04 3.15 3.09 1ww9A1 PHE 297 HB3 0.16 -0.10 0.22 -0.04 3.06 3.30 1ww9A1 PHE 297 HD2 -0.21 -0.01 -0.24 -0.04 7.28 6.78 1ww9A1 PHE 297 HE2 -0.67 -0.06 -0.30 -0.04 7.38 6.31 1ww9A1 PHE 297 HZ -1.28 -0.03 -0.22 -0.04 7.32 5.75 1ww9A1 GLN 298 H -0.20 0.64 0.41 -0.55 8.47 8.77 1ww9A1 GLN 298 HA 0.09 0.14 0.93 -0.75 4.36 4.77 1ww9A1 GLN 298 HB2 -0.08 -0.06 0.19 -0.04 2.15 2.16 1ww9A1 GLN 298 HB3 0.02 -0.01 0.01 -0.04 2.02 2.01 1ww9A1 GLN 298 HG2 -0.48 0.00 -0.07 -0.04 2.40 1.81 1ww9A1 GLN 298 HG3 -1.06 0.03 -0.15 -0.04 2.39 1.17 1ww9A1 GLN 298 HE21 0.18 0.40 0.14 -0.04 6.97 7.65 1ww9A1 GLN 298 HE22 0.16 -0.04 -0.01 -0.04 7.69 7.76 1ww9A1 THR 299 H 0.30 0.56 0.43 -0.55 8.28 9.03 1ww9A1 THR 299 HA 0.23 0.18 1.05 -0.75 4.39 5.11 1ww9A1 THR 299 HB 0.45 -0.03 0.00 -0.04 4.32 4.71 1ww9A1 THR 299 HG23 0.55 -0.01 -0.31 -0.04 1.22 1.40 1ww9A1 LEU 300 H 0.19 0.80 0.48 -0.55 8.37 9.29 1ww9A1 LEU 300 HA 0.17 0.27 1.17 -0.75 4.35 5.21 1ww9A1 LEU 300 HB2 0.31 -0.05 0.18 -0.04 1.64 2.04 1ww9A1 LEU 300 HB3 0.19 0.03 0.10 -0.04 1.64 1.92 1ww9A1 LEU 300 HG 0.31 -0.06 -0.19 -0.04 1.64 1.66 1ww9A1 LEU 300 HD13 0.28 -0.03 -0.06 -0.04 0.93 1.08 1ww9A1 LEU 300 HD23 0.12 0.05 0.08 -0.04 0.89 1.10 1ww9A1 GLY 301 H 0.11 0.65 0.38 -0.55 8.43 9.02 1ww9A1 GLY 301 HA2 0.15 0.50 1.14 -0.51 4.01 5.28 1ww9A1 GLY 301 HA3 0.27 -0.04 0.24 -0.51 4.01 3.97 1ww9A1 LYS 302 H -0.18 0.46 0.26 -0.55 8.42 8.41 1ww9A1 LYS 302 HA -0.20 0.18 0.74 -0.75 4.32 4.29 1ww9A1 LYS 302 HB2 -0.56 0.02 -0.08 -0.04 1.87 1.21 1ww9A1 LYS 302 HB3 -1.39 -0.07 0.05 -0.04 1.79 0.35 1ww9A1 LYS 302 HG2 -0.30 0.13 -0.18 -0.04 1.46 1.07 1ww9A1 LYS 302 HG3 -0.23 0.24 0.16 -0.04 1.46 1.58 1ww9A1 LYS 302 HD2 -0.20 -0.04 -0.05 -0.04 1.69 1.36 1ww9A1 LYS 302 HD3 -0.38 -0.10 -0.03 -0.04 1.68 1.13 1ww9A1 LYS 302 HE2 -0.07 0.01 0.00 -0.04 2.99 2.90 1ww9A1 LYS 302 HE3 -0.07 0.06 0.00 -0.04 2.99 2.95 1ww9A1 PRO 303 HA -0.08 0.19 0.38 -0.51 4.44 4.43 1ww9A1 PRO 303 HB2 -0.06 -0.00 0.05 -0.04 2.28 2.23 1ww9A1 PRO 303 HB3 -0.05 -0.03 -0.03 -0.04 2.02 1.87 1ww9A1 PRO 303 HG2 -0.04 0.05 0.02 -0.04 2.03 2.02 1ww9A1 PRO 303 HG3 -0.04 0.00 -0.04 -0.04 2.03 1.92 1ww9A1 PRO 303 HD2 -0.10 0.21 0.23 -0.04 3.68 3.98 1ww9A1 PRO 303 HD3 -0.08 0.14 0.11 -0.04 3.65 3.78 1ww9A1 CYS 304 H -0.06 0.73 0.35 -0.55 8.50 8.97 1ww9A1 CYS 304 HA -0.04 0.03 0.78 -0.75 4.58 4.60 1ww9A1 CYS 304 HB2 -0.03 0.10 0.13 -0.04 2.97 3.13 1ww9A1 CYS 304 HB3 -0.00 -0.18 0.00 -0.04 2.97 2.75 1ww9A1 ALA 305 H -0.02 0.11 0.16 -0.55 8.40 8.10 1ww9A1 ALA 305 HA -0.02 0.21 0.76 -0.75 4.34 4.54 1ww9A1 ALA 305 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 1ww9A1 ASN 306 H -0.00 0.05 0.09 -0.55 8.53 8.13 1ww9A1 ASN 306 HA -0.00 0.30 0.77 -0.75 4.76 5.07 1ww9A1 ASN 306 HB2 0.00 -0.04 0.16 -0.04 2.88 2.96 1ww9A1 ASN 306 HB3 -0.00 0.19 -0.09 -0.04 2.79 2.84 1ww9A1 ASN 306 HD21 0.00 0.07 0.00 -0.04 7.03 7.06 1ww9A1 ASN 306 HD22 -0.00 0.11 -0.08 -0.04 7.74 7.73 1ww9A1 ASP 307 H 0.00 0.25 0.16 -0.55 8.40 8.27 1ww9A1 ASP 307 HA 0.01 0.13 0.38 -0.75 4.63 4.39 1ww9A1 ASP 307 HB2 0.00 -0.01 0.10 -0.04 2.71 2.77 1ww9A1 ASP 307 HB3 0.01 0.06 0.06 -0.04 2.70 2.79 1ww9A1 GLU 308 H 0.01 0.06 -0.29 -0.55 8.60 7.83 1ww9A1 GLU 308 HA 0.02 0.14 0.45 -0.75 4.29 4.14 1ww9A1 GLU 308 HB2 0.01 -0.04 0.05 -0.04 2.09 2.07 1ww9A1 GLU 308 HB3 0.02 0.08 0.01 -0.04 1.99 2.05 1ww9A1 GLU 308 HG2 0.01 0.06 0.01 -0.04 2.34 2.38 1ww9A1 GLU 308 HG3 0.01 -0.09 0.04 -0.04 2.34 2.26 1ww9A1 GLU 309 H 0.02 0.10 -0.11 -0.55 8.60 8.06 1ww9A1 GLU 309 HA 0.04 0.10 0.49 -0.75 4.29 4.16 1ww9A1 GLU 309 HB2 0.01 -0.02 0.21 -0.04 2.09 2.25 1ww9A1 GLU 309 HB3 0.02 0.15 0.12 -0.04 1.99 2.23 1ww9A1 GLU 309 HG2 0.02 0.08 0.06 -0.04 2.34 2.45 1ww9A1 GLU 309 HG3 0.01 -0.09 0.11 -0.04 2.34 2.32 1ww9A1 ARG 310 H 0.03 0.40 -0.11 -0.55 8.46 8.23 1ww9A1 ARG 310 HA 0.13 0.09 0.39 -0.75 4.34 4.20 1ww9A1 ARG 310 HB2 0.03 0.05 0.08 -0.04 1.90 2.03 1ww9A1 ARG 310 HB3 0.05 0.03 0.02 -0.04 1.80 1.85 1ww9A1 ARG 310 HG2 0.02 0.05 -0.01 -0.04 1.67 1.69 1ww9A1 ARG 310 HG3 0.02 0.11 -0.10 -0.04 1.67 1.65 1ww9A1 ARG 310 HD2 0.01 -0.07 -0.08 -0.04 3.22 3.03 1ww9A1 ARG 310 HD3 0.01 0.03 -0.04 -0.04 3.22 3.18 1ww9A1 LYS 311 H 0.04 0.42 -0.30 -0.55 8.42 8.03 1ww9A1 LYS 311 HA 0.03 0.04 0.44 -0.75 4.32 4.07 1ww9A1 LYS 311 HB2 0.02 0.03 0.14 -0.04 1.87 2.03 1ww9A1 LYS 311 HB3 0.03 0.11 0.20 -0.04 1.79 2.09 1ww9A1 LYS 311 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.40 1ww9A1 LYS 311 HG3 0.02 -0.01 -0.21 -0.04 1.46 1.22 1ww9A1 LYS 311 HD2 0.01 -0.02 0.11 -0.04 1.69 1.75 1ww9A1 LYS 311 HD3 0.01 -0.00 0.03 -0.04 1.68 1.68 1ww9A1 LYS 311 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.94 1ww9A1 LYS 311 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 1ww9A1 LYS 312 H 0.07 0.42 -0.12 -0.55 8.42 8.23 1ww9A1 LYS 312 HA 0.06 0.05 0.52 -0.75 4.32 4.19 1ww9A1 LYS 312 HB2 0.05 0.04 0.14 -0.04 1.87 2.06 1ww9A1 LYS 312 HB3 0.09 0.07 0.14 -0.04 1.79 2.05 1ww9A1 LYS 312 HG2 0.09 -0.03 -0.08 -0.04 1.46 1.40 1ww9A1 LYS 312 HG3 0.05 -0.01 0.06 -0.04 1.46 1.51 1ww9A1 LYS 312 HD2 0.05 0.00 -0.01 -0.04 1.69 1.69 1ww9A1 LYS 312 HD3 0.04 -0.02 0.00 -0.04 1.68 1.67 1ww9A1 LYS 312 HE2 0.07 0.01 0.01 -0.04 2.99 3.03 1ww9A1 LYS 312 HE3 0.09 0.01 -0.05 -0.04 2.99 3.00 1ww9A1 TYR 313 H 0.21 0.64 -0.05 -0.55 8.29 8.54 1ww9A1 TYR 313 HA 0.14 -0.00 0.41 -0.75 4.56 4.36 1ww9A1 TYR 313 HB2 0.06 0.04 0.10 -0.04 3.06 3.21 1ww9A1 TYR 313 HB3 0.04 0.09 0.16 -0.04 2.98 3.23 1ww9A1 TYR 313 HD2 0.09 -0.04 -0.02 -0.04 7.15 7.14 1ww9A1 TYR 313 HE2 -0.02 0.05 -0.12 -0.04 6.85 6.72 1ww9A1 GLU 314 H 0.07 0.55 -0.21 -0.55 8.60 8.46 1ww9A1 GLU 314 HA -0.19 0.01 0.39 -0.75 4.29 3.74 1ww9A1 GLU 314 HB2 -0.02 0.15 0.16 -0.04 2.09 2.33 1ww9A1 GLU 314 HB3 -0.00 0.13 0.11 -0.04 1.99 2.19 1ww9A1 GLU 314 HG2 -0.08 -0.04 0.08 -0.04 2.34 2.26 1ww9A1 GLU 314 HG3 -0.05 -0.01 0.03 -0.04 2.34 2.27 1ww9A1 GLN 315 H 0.03 0.35 -0.35 -0.55 8.47 7.96 1ww9A1 GLN 315 HA 0.01 0.02 0.47 -0.75 4.36 4.10 1ww9A1 GLN 315 HB2 0.03 0.15 0.21 -0.04 2.15 2.50 1ww9A1 GLN 315 HB3 0.00 -0.06 0.05 -0.04 2.02 1.97 1ww9A1 GLN 315 HG2 0.00 -0.06 0.05 -0.04 2.40 2.35 1ww9A1 GLN 315 HG3 0.02 0.35 0.17 -0.04 2.39 2.89 1ww9A1 GLN 315 HE21 0.01 -0.04 -0.00 -0.04 6.97 6.89 1ww9A1 GLN 315 HE22 0.01 0.03 0.03 -0.04 7.69 7.73 1ww9A1 GLU 316 H 0.08 0.57 -0.04 -0.55 8.60 8.66 1ww9A1 GLU 316 HA -0.09 0.03 0.49 -0.75 4.29 3.97 1ww9A1 GLU 316 HB2 0.33 0.11 0.14 -0.04 2.09 2.63 1ww9A1 GLU 316 HB3 0.03 -0.07 0.05 -0.04 1.99 1.95 1ww9A1 GLU 316 HG2 0.03 -0.04 0.01 -0.04 2.34 2.30 1ww9A1 GLU 316 HG3 0.11 0.31 0.07 -0.04 2.34 2.79 1ww9A1 PHE 317 H 0.13 0.76 -0.09 -0.55 8.34 8.58 1ww9A1 PHE 317 HA 0.25 -0.11 0.42 -0.75 4.62 4.43 1ww9A1 PHE 317 HB2 -0.45 0.05 0.07 -0.04 3.15 2.78 1ww9A1 PHE 317 HB3 -0.22 0.17 0.17 -0.04 3.06 3.14 1ww9A1 PHE 317 HD2 -0.04 0.03 -0.08 -0.04 7.28 7.15 1ww9A1 PHE 317 HE2 -0.04 0.05 -0.10 -0.04 7.38 7.24 1ww9A1 PHE 317 HZ -0.07 -0.00 -0.23 -0.04 7.32 6.97 1ww9A1 GLU 318 H 0.07 0.50 -0.16 -0.55 8.60 8.47 1ww9A1 GLU 318 HA -0.18 0.02 0.43 -0.75 4.29 3.81 1ww9A1 GLU 318 HB2 -0.01 0.09 0.17 -0.04 2.09 2.29 1ww9A1 GLU 318 HB3 -0.03 -0.03 0.00 -0.04 1.99 1.89 1ww9A1 GLU 318 HG2 0.14 0.16 0.11 -0.04 2.34 2.71 1ww9A1 GLU 318 HG3 0.03 -0.05 0.03 -0.04 2.34 2.31 1ww9A1 SER 319 H -0.10 0.43 -0.12 -0.55 8.46 8.12 1ww9A1 SER 319 HA -0.11 0.12 0.66 -0.75 4.49 4.40 1ww9A1 SER 319 HB2 -0.11 -0.05 0.08 -0.04 3.95 3.83 1ww9A1 SER 319 HB3 -0.08 -0.02 0.10 -0.04 3.93 3.89 1ww9A1 LYS 320 H -0.28 0.53 -0.12 -0.55 8.42 8.00 1ww9A1 LYS 320 HA -0.28 0.22 1.08 -0.75 4.32 4.59 1ww9A1 LYS 320 HB2 -0.47 -0.00 -0.08 -0.04 1.87 1.27 1ww9A1 LYS 320 HB3 -0.99 0.01 0.18 -0.04 1.79 0.96 1ww9A1 LYS 320 HG2 -1.07 -0.05 -0.28 -0.04 1.46 0.02 1ww9A1 LYS 320 HG3 -0.49 0.01 -0.05 -0.04 1.46 0.90 1ww9A1 LYS 320 HD2 -0.58 0.00 -0.03 -0.04 1.69 1.04 1ww9A1 LYS 320 HD3 -1.62 -0.04 -0.04 -0.04 1.68 -0.06 1ww9A1 LYS 320 HE2 -0.91 -0.02 -0.11 -0.04 2.99 1.91 1ww9A1 LYS 320 HE3 -0.38 0.04 -0.08 -0.04 2.99 2.54 1ww9A1 TRP 321 H -0.69 0.30 0.14 -0.55 7.97 7.17 1ww9A1 TRP 321 HA -0.08 -0.03 0.34 -0.75 4.62 4.10 1ww9A1 TRP 321 HB2 -0.07 0.03 0.15 -0.04 3.23 3.29 1ww9A1 TRP 321 HB3 0.04 -0.01 0.03 -0.04 3.23 3.25 1ww9A1 TRP 321 HD1 0.15 -0.00 -0.22 -0.04 7.22 7.11 1ww9A1 TRP 321 HE1 0.13 -0.00 -0.08 -0.04 10.20 10.21 1ww9A1 TRP 321 HE3 -0.07 -0.08 -0.06 -0.04 7.59 7.34 1ww9A1 TRP 321 HZ2 0.01 -0.00 -0.07 -0.04 7.44 7.34 1ww9A1 TRP 321 HZ3 -0.13 0.09 -0.16 -0.04 7.13 6.90 1ww9A1 TRP 321 HH2 -0.06 0.06 -0.09 -0.04 7.19 7.06 1ww9A1 LYS 322 H -0.41 0.78 -0.03 -0.55 8.42 8.21 1ww9A1 LYS 322 HA -0.28 -0.06 0.42 -0.75 4.32 3.65 1ww9A1 LYS 322 HB2 -1.39 -0.02 0.01 -0.04 1.87 0.42 1ww9A1 LYS 322 HB3 -0.43 0.18 0.11 -0.04 1.79 1.61 1ww9A1 LYS 322 HG2 -0.16 -0.02 -0.26 -0.04 1.46 0.98 1ww9A1 LYS 322 HG3 -0.21 -0.07 -0.06 -0.04 1.46 1.08 1ww9A1 LYS 322 HD2 -0.16 -0.00 -0.05 -0.04 1.69 1.43 1ww9A1 LYS 322 HD3 -0.17 0.07 -0.01 -0.04 1.68 1.52 1ww9A1 LYS 322 HE2 -0.02 -0.03 -0.04 -0.04 2.99 2.87 1ww9A1 LYS 322 HE3 -0.02 -0.00 -0.00 -0.04 2.99 2.92 1ww9A1 PRO 323 HA -0.02 0.04 0.55 -0.51 4.44 4.50 1ww9A1 PRO 323 HB2 -0.04 -0.00 -0.02 -0.04 2.28 2.18 1ww9A1 PRO 323 HB3 -0.06 0.01 0.05 -0.04 2.02 1.98 1ww9A1 PRO 323 HG2 -0.11 0.10 -0.00 -0.04 2.03 1.98 1ww9A1 PRO 323 HG3 -0.11 0.15 -0.10 -0.04 2.03 1.93 1ww9A1 PRO 323 HD2 -0.21 -0.04 -0.46 -0.04 3.68 2.93 1ww9A1 PRO 323 HD3 -0.18 0.21 -0.01 -0.04 3.65 3.62 1ww9A1 MET 324 H -0.04 0.82 -0.09 -0.55 8.47 8.61 1ww9A1 MET 324 HA 0.04 0.09 0.61 -0.75 4.52 4.51 1ww9A1 MET 324 HB2 -0.08 0.05 0.01 -0.04 2.15 2.10 1ww9A1 MET 324 HB3 -0.01 0.01 -0.12 -0.04 2.03 1.87 1ww9A1 MET 324 HG2 0.07 -0.08 -0.23 -0.04 2.63 2.34 1ww9A1 MET 324 HG3 0.02 -0.04 -0.12 -0.04 2.56 2.38 1ww9A1 MET 324 HE3 -0.10 0.02 -0.06 -0.04 2.10 1.91 1ww9A1 ALA 325 H 0.13 0.53 -0.07 -0.55 8.40 8.45 1ww9A1 ALA 325 HA 0.23 0.13 0.87 -0.75 4.34 4.82 1ww9A1 ALA 325 HB3 0.18 0.05 0.07 -0.04 1.41 1.68 1ww9A1 LEU 326 H 0.14 0.45 0.19 -0.55 8.37 8.61 1ww9A1 LEU 326 HA 0.21 0.02 0.32 -0.75 4.35 4.15 1ww9A1 LEU 326 HB2 0.04 0.19 0.18 -0.04 1.64 2.01 1ww9A1 LEU 326 HB3 0.08 -0.01 0.01 -0.04 1.64 1.68 1ww9A1 LEU 326 HG 0.15 0.02 -0.03 -0.04 1.64 1.74 1ww9A1 LEU 326 HD13 0.21 0.00 -0.11 -0.04 0.93 0.99 1ww9A1 LEU 326 HD23 0.18 -0.01 -0.08 -0.04 0.89 0.94 1ww9A1 GLU 327 H 0.11 0.23 -0.43 -0.55 8.60 7.96 1ww9A1 GLU 327 HA 0.15 0.14 0.83 -0.75 4.29 4.65 1ww9A1 GLU 327 HB2 0.06 0.14 0.16 -0.04 2.09 2.40 1ww9A1 GLU 327 HB3 0.08 -0.04 0.01 -0.04 1.99 1.99 1ww9A1 GLU 327 HG2 0.07 -0.01 -0.16 -0.04 2.34 2.20 1ww9A1 GLU 327 HG3 0.03 0.18 -0.11 -0.04 2.34 2.40 1ww9A1 GLY 328 H 0.11 0.29 -0.34 -0.55 8.43 7.94 1ww9A1 GLY 328 HA2 0.12 -0.01 0.37 -0.51 4.01 3.97 1ww9A1 GLY 328 HA3 0.13 0.14 0.38 -0.51 4.01 4.14 1ww9A1 PHE 329 H 0.31 0.41 -0.37 -0.55 8.34 8.14 1ww9A1 PHE 329 HA 0.14 0.09 0.93 -0.75 4.62 5.02 1ww9A1 PHE 329 HB2 0.14 -0.05 0.11 -0.04 3.15 3.31 1ww9A1 PHE 329 HB3 0.18 0.13 0.11 -0.04 3.06 3.44 1ww9A1 PHE 329 HD2 0.04 -0.05 -0.11 -0.04 7.28 7.11 1ww9A1 PHE 329 HE2 -0.24 0.04 -0.08 -0.04 7.38 7.06 1ww9A1 PHE 329 HZ -0.27 0.04 -0.07 -0.04 7.32 6.98 1ww9A1 ASN 330 H 0.35 0.45 -0.09 -0.55 8.53 8.70 1ww9A1 ASN 330 HA 0.21 0.05 0.42 -0.75 4.76 4.68 1ww9A1 ASN 330 HB2 0.35 0.46 0.12 -0.04 2.88 3.76 1ww9A1 ASN 330 HB3 0.47 -0.08 0.06 -0.04 2.79 3.20 1ww9A1 ASN 330 HD21 0.35 0.02 -0.12 -0.04 7.03 7.25 1ww9A1 ASN 330 HD22 0.32 -0.03 -0.08 -0.04 7.74 7.90 1ww9A1 ASN 331 H 0.18 0.52 -0.34 -0.55 8.53 8.34 1ww9A1 ASN 331 HA 0.18 0.01 0.42 -0.75 4.76 4.62 1ww9A1 ASN 331 HB2 0.16 0.17 0.06 -0.04 2.88 3.23 1ww9A1 ASN 331 HB3 0.20 -0.09 -0.03 -0.04 2.79 2.83 1ww9A1 ASN 331 HD21 0.10 -0.06 -0.03 -0.04 7.03 7.00 1ww9A1 ASN 331 HD22 0.12 -0.01 -0.06 -0.04 7.74 7.74 1ww9A1 ASP 332 H 0.08 0.35 -0.32 -0.55 8.40 7.96 1ww9A1 ASP 332 HA -0.10 0.01 0.40 -0.75 4.63 4.20 1ww9A1 ASP 332 HB2 -0.15 0.14 0.01 -0.04 2.71 2.67 1ww9A1 ASP 332 HB3 -0.42 -0.02 -0.03 -0.04 2.70 2.19 1ww9A1 ASP 333 H -0.04 0.33 -0.40 -0.55 8.40 7.75 1ww9A1 ASP 333 HA -0.31 0.03 0.36 -0.75 4.63 3.96 1ww9A1 ASP 333 HB2 0.00 0.25 0.08 -0.04 2.71 3.00 1ww9A1 ASP 333 HB3 -0.13 -0.04 -0.06 -0.04 2.70 2.43 1ww9A1 ILE 334 H -0.06 0.41 -0.32 -0.55 8.25 7.73 1ww9A1 ILE 334 HA -0.05 0.03 0.39 -0.75 4.18 3.80 1ww9A1 ILE 334 HB 0.13 0.24 0.19 -0.04 1.89 2.41 1ww9A1 ILE 334 HG12 0.05 -0.05 -0.02 -0.04 1.49 1.43 1ww9A1 ILE 334 HG13 0.10 0.13 0.03 -0.04 1.21 1.43 1ww9A1 ILE 334 HG23 0.12 -0.03 -0.14 -0.04 0.93 0.84 1ww9A1 ILE 334 HD13 0.23 -0.01 -0.01 -0.04 0.88 1.05 1ww9A1 TRP 335 H 0.00 0.36 -0.05 -0.55 7.97 7.73 1ww9A1 TRP 335 HA 0.00 0.06 0.53 -0.75 4.62 4.45 1ww9A1 TRP 335 HB2 -0.01 -0.03 0.09 -0.04 3.23 3.25 1ww9A1 TRP 335 HB3 0.01 0.00 0.08 -0.04 3.23 3.28 1ww9A1 TRP 335 HD1 0.01 0.06 0.01 -0.04 7.22 7.26 1ww9A1 TRP 335 HE1 -0.02 -0.02 -0.00 -0.04 10.20 10.12 1ww9A1 TRP 335 HE3 -0.02 -0.07 -0.27 -0.04 7.59 7.19 1ww9A1 TRP 335 HZ2 -0.05 0.03 0.02 -0.04 7.44 7.39 1ww9A1 TRP 335 HZ3 -0.02 -0.03 -0.05 -0.04 7.13 6.98 1ww9A1 TRP 335 HH2 -0.03 -0.01 -0.01 -0.04 7.19 7.10 1ww9A1 ALA 336 H -0.63 0.37 -0.45 -0.55 8.40 7.14 1ww9A1 ALA 336 HA -0.30 0.02 0.41 -0.75 4.34 3.72 1ww9A1 ALA 336 HB3 -0.53 0.05 0.07 -0.04 1.41 0.95 1ww9A1 ARG 337 H -0.17 0.56 -0.16 -0.55 8.46 8.13 1ww9A1 ARG 337 HA -0.14 0.02 0.30 -0.75 4.34 3.77 1ww9A1 ARG 337 HB2 -0.02 0.14 0.05 -0.04 1.90 2.02 1ww9A1 ARG 337 HB3 -0.07 -0.11 -0.18 -0.04 1.80 1.41 1ww9A1 ARG 337 HG2 -0.23 -0.01 -0.14 -0.04 1.67 1.24 1ww9A1 ARG 337 HG3 -0.20 0.38 0.09 -0.04 1.67 1.91 1ww9A1 ARG 337 HD2 -0.00 -0.01 -0.08 -0.04 3.22 3.08 1ww9A1 ARG 337 HD3 -0.12 -0.09 -0.12 -0.04 3.22 2.85 1ww9A1 GLU 338 H 0.03 0.45 -0.22 -0.55 8.60 8.32 1ww9A1 GLU 338 HA 0.05 0.07 0.46 -0.75 4.29 4.12 1ww9A1 GLU 338 HB2 0.15 0.08 0.14 -0.04 2.09 2.41 1ww9A1 GLU 338 HB3 0.09 -0.06 0.08 -0.04 1.99 2.06 1ww9A1 GLU 338 HG2 0.07 0.11 0.03 -0.04 2.34 2.52 1ww9A1 GLU 338 HG3 0.08 0.25 0.07 -0.04 2.34 2.69 1ww9A1 ALA 339 H 0.08 0.45 -0.42 -0.55 8.40 7.97 1ww9A1 ALA 339 HA 0.08 -0.01 0.45 -0.75 4.34 4.11 1ww9A1 ALA 339 HB3 0.14 0.04 0.12 -0.04 1.41 1.67 1ww9A1 MET 340 H 0.00 0.48 -0.40 -0.55 8.47 8.01 1ww9A1 MET 340 HA 0.09 0.09 0.74 -0.75 4.52 4.69 1ww9A1 MET 340 HB2 -0.08 0.19 0.09 -0.04 2.15 2.30 1ww9A1 MET 340 HB3 0.01 -0.12 0.05 -0.04 2.03 1.93 1ww9A1 MET 340 HG2 0.04 -0.05 -0.03 -0.04 2.63 2.55 1ww9A1 MET 340 HG3 -0.05 0.16 -0.04 -0.04 2.56 2.58 1ww9A1 MET 340 HE3 -0.20 0.02 -0.03 -0.04 2.10 1.84 1ww9A1 VAL 341 H 0.04 0.45 -0.23 -0.55 8.24 7.95 1ww9A1 VAL 341 HA 0.04 -0.02 0.36 -0.75 4.13 3.75 1ww9A1 VAL 341 HB 0.04 0.09 0.21 -0.04 2.12 2.42 1ww9A1 VAL 341 HG13 0.04 -0.02 -0.08 -0.04 0.97 0.87 1ww9A1 VAL 341 HG23 0.03 0.03 0.21 -0.04 0.95 1.18 1ww9A1 ASP 342 H 0.06 0.24 -0.13 -0.55 8.40 8.02 1ww9A1 ASP 342 HA 0.03 0.04 0.37 -0.75 4.63 4.33 1ww9A1 ASP 342 HB2 0.06 0.05 0.08 -0.04 2.71 2.85 1ww9A1 ASP 342 HB3 0.05 0.00 -0.02 -0.04 2.70 2.69 1ww9A1 PHE 343 H 0.17 0.22 -0.19 -0.55 8.34 7.99 1ww9A1 PHE 343 HA -0.15 0.05 0.41 -0.75 4.62 4.17 1ww9A1 PHE 343 HB2 -0.12 0.03 0.10 -0.04 3.15 3.12 1ww9A1 PHE 343 HB3 -0.24 0.10 0.04 -0.04 3.06 2.93 1ww9A1 PHE 343 HD2 -0.45 0.01 -0.03 -0.04 7.28 6.77 1ww9A1 PHE 343 HE2 -0.20 0.02 -0.07 -0.04 7.38 7.09 1ww9A1 PHE 343 HZ -0.14 0.15 -0.34 -0.04 7.32 6.96 1ww9A1 TYR 344 H 0.11 0.49 -0.25 -0.55 8.29 8.09 1ww9A1 TYR 344 HA -0.49 -0.16 0.77 -0.75 4.56 3.93 1ww9A1 TYR 344 HB2 -0.25 0.18 0.04 -0.04 3.06 2.99 1ww9A1 TYR 344 HB3 -0.47 -0.02 0.06 -0.04 2.98 2.51 1ww9A1 TYR 344 HD2 -1.25 0.19 -0.03 -0.04 7.15 6.01 1ww9A1 TYR 344 HE2 -0.57 0.03 -0.20 -0.04 6.85 6.07 1ww9A1 ALA 345 H -0.02 0.39 -0.15 -0.55 8.40 8.08 1ww9A1 ALA 345 HA 0.03 0.06 0.42 -0.75 4.34 4.09 1ww9A1 ALA 345 HB3 0.01 0.04 0.11 -0.04 1.41 1.52 1ww9A1 ASP 346 H -0.08 0.17 -0.19 -0.55 8.40 7.75 1ww9A1 ASP 346 HA -0.00 0.22 0.71 -0.75 4.63 4.81 1ww9A1 ASP 346 HB2 -0.03 0.01 0.19 -0.04 2.71 2.84 1ww9A1 ASP 346 HB3 -0.03 0.04 0.07 -0.04 2.70 2.74 1ww9A1 ASP 347 H 0.01 0.54 -0.59 -0.55 8.40 7.80 1ww9A1 ASP 347 HA 0.26 0.13 0.33 -0.75 4.63 4.59 1ww9A1 ASP 347 HB2 0.08 0.22 0.02 -0.04 2.71 2.99 1ww9A1 ASP 347 HB3 0.20 -0.07 0.18 -0.04 2.70 2.97 1ww9A1 LYS 348 H -0.15 0.04 -0.62 -0.55 8.42 7.13 1ww9A1 LYS 348 HA -0.04 0.20 0.76 -0.75 4.32 4.48 1ww9A1 LYS 348 HB2 -0.20 0.01 0.00 -0.04 1.87 1.65 1ww9A1 LYS 348 HB3 -0.19 -0.00 0.04 -0.04 1.79 1.59 1ww9A1 LYS 348 HG2 -0.03 -0.01 -0.01 -0.04 1.46 1.37 1ww9A1 LYS 348 HG3 -0.04 0.13 -0.09 -0.04 1.46 1.42 1ww9A1 LYS 348 HD2 -0.06 -0.00 -0.01 -0.04 1.69 1.58 1ww9A1 LYS 348 HD3 -0.03 -0.02 -0.01 -0.04 1.68 1.59 1ww9A1 LYS 348 HE2 -0.05 0.09 0.02 -0.04 2.99 3.01 1ww9A1 LYS 348 HE3 -0.08 -0.01 -0.00 -0.04 2.99 2.86 1ww9A1 GLY 349 H -0.66 0.13 0.00 -0.55 8.43 7.36 1ww9A1 GLY 349 HA2 -1.63 0.06 0.38 -0.51 4.01 2.31 1ww9A1 GLY 349 HA3 -1.84 0.08 0.13 -0.51 4.01 1.87 1ww9A1 TRP 350 H -0.29 0.14 -0.48 -0.55 7.97 6.79 1ww9A1 TRP 350 HA 0.25 0.05 0.29 -0.75 4.62 4.46 1ww9A1 TRP 350 HB2 0.10 0.10 -0.06 -0.04 3.23 3.34 1ww9A1 TRP 350 HB3 0.25 0.02 -0.01 -0.04 3.23 3.44 1ww9A1 TRP 350 HD1 0.05 0.23 0.05 -0.04 7.22 7.50 1ww9A1 TRP 350 HE1 0.02 0.06 0.03 -0.04 10.20 10.27 1ww9A1 TRP 350 HE3 0.20 0.02 -0.06 -0.04 7.59 7.71 1ww9A1 TRP 350 HZ2 -0.25 -0.00 -0.06 -0.04 7.44 7.08 1ww9A1 TRP 350 HZ3 0.01 -0.01 -0.12 -0.04 7.13 6.98 1ww9A1 TRP 350 HH2 -0.30 -0.04 -0.17 -0.04 7.19 6.64 1ww9A1 VAL 351 H 0.05 0.24 -0.44 -0.55 8.24 7.54 1ww9A1 VAL 351 HA 0.19 0.25 0.96 -0.75 4.13 4.77 1ww9A1 VAL 351 HB 0.06 0.00 0.06 -0.04 2.12 2.21 1ww9A1 VAL 351 HG13 0.13 -0.00 -0.17 -0.04 0.97 0.89 1ww9A1 VAL 351 HG23 0.01 -0.01 -0.02 -0.04 0.95 0.89 1ww9A1 ASN 352 H -0.12 0.29 0.06 -0.55 8.53 8.21 1ww9A1 ASN 352 HA 0.05 0.17 0.78 -0.75 4.76 5.01 1ww9A1 ASN 352 HB2 -0.33 -0.02 0.01 -0.04 2.88 2.49 1ww9A1 ASN 352 HB3 0.15 -0.05 0.06 -0.04 2.79 2.91 1ww9A1 ASN 352 HD21 -0.09 -0.05 -0.03 -0.04 7.03 6.83 1ww9A1 ASN 352 HD22 -0.21 -0.04 -0.08 -0.04 7.74 7.37 1ww9A1 GLU 353 H 0.10 0.30 -0.15 -0.55 8.60 8.30 1ww9A1 GLU 353 HA 0.24 -0.02 0.39 -0.75 4.29 4.15 1ww9A1 GLU 353 HB2 0.18 -0.10 -0.08 -0.04 2.09 2.05 1ww9A1 GLU 353 HB3 0.23 0.04 0.05 -0.04 1.99 2.27 1ww9A1 GLU 353 HG2 0.22 0.10 -0.17 -0.04 2.34 2.44 1ww9A1 GLU 353 HG3 0.23 -0.07 -0.27 -0.04 2.34 2.19 1ww9A1 ILE 354 H 0.04 0.15 0.05 -0.55 8.25 7.94 1ww9A1 ILE 354 HA 0.09 0.20 0.83 -0.75 4.18 4.54 1ww9A1 ILE 354 HB -0.01 -0.07 0.16 -0.04 1.89 1.93 1ww9A1 ILE 354 HG12 0.05 0.10 -0.08 -0.04 1.49 1.52 1ww9A1 ILE 354 HG13 0.04 0.08 -0.26 -0.04 1.21 1.03 1ww9A1 ILE 354 HG23 0.03 0.00 -0.07 -0.04 0.93 0.85 1ww9A1 ILE 354 HD13 0.00 -0.02 -0.01 -0.04 0.88 0.81 1ww9A1 LEU 355 H 0.14 0.18 -0.03 -0.55 8.37 8.13 1ww9A1 LEU 355 HA 0.17 0.08 0.56 -0.75 4.35 4.41 1ww9A1 LEU 355 HB2 0.18 0.03 -0.02 -0.04 1.64 1.79 1ww9A1 LEU 355 HB3 0.20 -0.04 0.07 -0.04 1.64 1.83 1ww9A1 LEU 355 HG 0.21 0.05 -0.13 -0.04 1.64 1.73 1ww9A1 LEU 355 HD13 0.20 0.01 -0.07 -0.04 0.93 1.03 1ww9A1 LEU 355 HD23 0.16 -0.00 -0.15 -0.04 0.89 0.85 1ww9A1 PHE 356 H 0.95 0.00 0.15 -0.55 8.34 8.89 1ww9A1 PHE 356 HA 0.03 0.30 0.50 -0.75 4.62 4.70 1ww9A1 PHE 356 HB2 0.01 -0.06 0.23 -0.04 3.15 3.28 1ww9A1 PHE 356 HB3 0.01 0.16 -0.06 -0.04 3.06 3.12 1ww9A1 PHE 356 HD2 0.00 0.03 0.13 -0.04 7.28 7.40 1ww9A1 PHE 356 HE2 -0.01 0.05 -0.00 -0.04 7.38 7.37 1ww9A1 PHE 356 HZ -0.01 0.03 -0.01 -0.04 7.32 7.29 1ww9A1 GLU 357 H -0.10 0.21 0.14 -0.55 8.60 8.31 1ww9A1 GLU 357 HA -0.11 0.09 0.32 -0.75 4.29 3.83 1ww9A1 GLU 357 HB2 -0.26 -0.02 0.19 -0.04 2.09 1.97 1ww9A1 GLU 357 HB3 -0.14 0.06 0.02 -0.04 1.99 1.88 1ww9A1 GLU 357 HG2 -0.04 0.08 0.05 -0.04 2.34 2.39 1ww9A1 GLU 357 HG3 -0.03 0.01 0.06 -0.04 2.34 2.34 1ww9A1 SER 358 H -0.90 0.14 -0.03 -0.55 8.46 7.12 1ww9A1 SER 358 HA -0.23 0.12 0.43 -0.75 4.49 4.06 1ww9A1 SER 358 HB2 -0.15 -0.02 0.15 -0.04 3.95 3.89 1ww9A1 SER 358 HB3 -0.24 0.09 0.13 -0.04 3.93 3.88 1ww9A1 ASP 359 H -0.25 0.43 -0.44 -0.55 8.40 7.60 1ww9A1 ASP 359 HA -0.02 0.05 0.47 -0.75 4.63 4.38 1ww9A1 ASP 359 HB2 0.10 0.24 0.08 -0.04 2.71 3.10 1ww9A1 ASP 359 HB3 0.08 -0.02 0.10 -0.04 2.70 2.83 1ww9A1 GLU 360 H -0.08 0.54 -0.38 -0.55 8.60 8.14 1ww9A1 GLU 360 HA 0.03 0.02 0.36 -0.75 4.29 3.94 1ww9A1 GLU 360 HB2 -0.02 0.06 0.13 -0.04 2.09 2.22 1ww9A1 GLU 360 HB3 -0.06 0.03 0.08 -0.04 1.99 1.99 1ww9A1 GLU 360 HG2 -0.00 0.05 0.01 -0.04 2.34 2.36 1ww9A1 GLU 360 HG3 0.00 -0.00 -0.22 -0.04 2.34 2.08 1ww9A1 ALA 361 H -0.11 0.35 -0.25 -0.55 8.40 7.85 1ww9A1 ALA 361 HA 0.01 0.05 0.35 -0.75 4.34 4.00 1ww9A1 ALA 361 HB3 -0.52 0.03 0.12 -0.04 1.41 1.01 1ww9A1 ILE 362 H -0.03 0.14 -0.17 -0.55 8.25 7.64 1ww9A1 ILE 362 HA 0.23 0.07 0.38 -0.75 4.18 4.10 1ww9A1 ILE 362 HB 0.01 0.07 0.14 -0.04 1.89 2.07 1ww9A1 ILE 362 HG12 0.03 0.04 -0.06 -0.04 1.49 1.47 1ww9A1 ILE 362 HG13 -0.03 -0.01 -0.04 -0.04 1.21 1.09 1ww9A1 ILE 362 HG23 0.02 -0.01 -0.16 -0.04 0.93 0.74 1ww9A1 ILE 362 HD13 -0.00 -0.00 -0.06 -0.04 0.88 0.78 1ww9A1 VAL 363 H 0.00 0.58 -0.12 -0.55 8.24 8.16 1ww9A1 VAL 363 HA -0.35 0.03 0.38 -0.75 4.13 3.43 1ww9A1 VAL 363 HB 0.09 0.08 0.11 -0.04 2.12 2.35 1ww9A1 VAL 363 HG13 0.38 -0.01 -0.13 -0.04 0.97 1.17 1ww9A1 VAL 363 HG23 0.12 0.02 -0.04 -0.04 0.95 1.01 1ww9A1 ALA 364 H 0.06 0.61 -0.23 -0.55 8.40 8.30 1ww9A1 ALA 364 HA 0.05 -0.01 0.37 -0.75 4.34 4.00 1ww9A1 ALA 364 HB3 0.10 0.04 0.06 -0.04 1.41 1.56 1ww9A1 TRP 365 H 0.21 0.47 -0.27 -0.55 7.97 7.83 1ww9A1 TRP 365 HA -0.18 0.01 0.42 -0.75 4.62 4.12 1ww9A1 TRP 365 HB2 -0.29 -0.02 0.02 -0.04 3.23 2.91 1ww9A1 TRP 365 HB3 -0.08 0.12 0.15 -0.04 3.23 3.38 1ww9A1 TRP 365 HD1 -0.31 0.04 -0.08 -0.04 7.22 6.82 1ww9A1 TRP 365 HE1 -0.11 -0.02 -0.12 -0.04 10.20 9.92 1ww9A1 TRP 365 HE3 -0.24 0.00 -0.12 -0.04 7.59 7.19 1ww9A1 TRP 365 HZ2 0.37 0.04 -0.07 -0.04 7.44 7.73 1ww9A1 TRP 365 HZ3 0.02 -0.00 -0.38 -0.04 7.13 6.73 1ww9A1 TRP 365 HH2 0.41 0.11 -0.28 -0.04 7.19 7.39 1ww9A1 ARG 366 H -0.40 0.58 -0.11 -0.55 8.46 7.97 1ww9A1 ARG 366 HA -1.72 0.01 0.36 -0.75 4.34 2.24 1ww9A1 ARG 366 HB2 -1.34 0.08 0.07 -0.04 1.90 0.68 1ww9A1 ARG 366 HB3 -1.19 -0.06 0.05 -0.04 1.80 0.56 1ww9A1 ARG 366 HG2 -0.61 -0.07 0.01 -0.04 1.67 0.96 1ww9A1 ARG 366 HG3 -0.57 0.18 -0.04 -0.04 1.67 1.19 1ww9A1 ARG 366 HD2 -0.39 -0.02 -0.06 -0.04 3.22 2.71 1ww9A1 ARG 366 HD3 -0.05 -0.04 -0.09 -0.04 3.22 3.00 1ww9A1 LYS 367 H -0.23 0.45 -0.36 -0.55 8.42 7.72 1ww9A1 LYS 367 HA 0.08 0.07 0.44 -0.75 4.32 4.16 1ww9A1 LYS 367 HB2 0.19 0.01 0.05 -0.04 1.87 2.08 1ww9A1 LYS 367 HB3 0.02 0.11 0.13 -0.04 1.79 2.01 1ww9A1 LYS 367 HG2 0.01 0.00 -0.21 -0.04 1.46 1.22 1ww9A1 LYS 367 HG3 0.06 -0.01 0.01 -0.04 1.46 1.48 1ww9A1 LYS 367 HD2 0.10 -0.01 -0.03 -0.04 1.69 1.70 1ww9A1 LYS 367 HD3 0.06 -0.01 -0.03 -0.04 1.68 1.66 1ww9A1 LYS 367 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 1ww9A1 LYS 367 HE3 0.03 -0.04 -0.02 -0.04 2.99 2.92 1ww9A1 LEU 368 H -0.16 0.56 -0.04 -0.55 8.37 8.18 1ww9A1 LEU 368 HA 0.02 0.02 0.38 -0.75 4.35 4.02 1ww9A1 LEU 368 HB2 -0.00 -0.01 0.06 -0.04 1.64 1.65 1ww9A1 LEU 368 HB3 -0.10 0.05 0.10 -0.04 1.64 1.65 1ww9A1 LEU 368 HG 0.14 -0.03 -0.11 -0.04 1.64 1.60 1ww9A1 LEU 368 HD13 -0.01 0.01 -0.07 -0.04 0.93 0.81 1ww9A1 LEU 368 HD23 0.03 0.00 -0.32 -0.04 0.89 0.55 1ww9A1 ALA 369 H -0.67 0.73 -0.14 -0.55 8.40 7.77 1ww9A1 ALA 369 HA -0.37 0.02 0.34 -0.75 4.34 3.58 1ww9A1 ALA 369 HB3 -1.04 0.00 0.02 -0.04 1.41 0.35 1ww9A1 SER 370 H -0.25 0.41 -0.32 -0.55 8.46 7.75 1ww9A1 SER 370 HA 0.01 -0.08 0.39 -0.75 4.49 4.06 1ww9A1 SER 370 HB2 -0.02 0.16 0.27 -0.04 3.95 4.32 1ww9A1 SER 370 HB3 0.02 -0.04 0.13 -0.04 3.93 4.00 1ww9A1 GLU 371 H -0.16 0.41 -0.21 -0.55 8.60 8.10 1ww9A1 GLU 371 HA -0.17 0.08 0.69 -0.75 4.29 4.14 1ww9A1 GLU 371 HB2 -0.38 0.03 0.09 -0.04 2.09 1.79 1ww9A1 GLU 371 HB3 -0.36 -0.07 0.08 -0.04 1.99 1.60 1ww9A1 GLU 371 HG2 -0.10 -0.07 -0.00 -0.04 2.34 2.13 1ww9A1 GLU 371 HG3 -0.09 0.43 0.14 -0.04 2.34 2.78 1ww9A1 HIS 372 H -0.13 0.51 -0.01 -0.55 8.41 8.23 1ww9A1 HIS 372 HA -0.04 0.25 1.07 -0.75 4.63 5.15 1ww9A1 HIS 372 HB2 -0.05 0.04 0.05 -0.04 3.26 3.27 1ww9A1 HIS 372 HB3 0.01 -0.01 0.16 -0.04 3.20 3.31 1ww9A1 HIS 372 HD2 -0.04 -0.03 0.03 -0.04 6.97 6.88 1ww9A1 HIS 372 HE1 0.01 -0.03 -0.00 -0.04 7.75 7.68 1ww9A1 ASN 373 H -0.24 0.24 -0.12 -0.55 8.53 7.86 1ww9A1 ASN 373 HA -0.14 0.03 0.48 -0.75 4.76 4.37 1ww9A1 ASN 373 HB2 -1.54 -0.05 0.10 -0.04 2.88 1.35 1ww9A1 ASN 373 HB3 -1.43 0.23 0.15 -0.04 2.79 1.70 1ww9A1 ASN 373 HD21 -0.05 -0.08 -0.03 -0.04 7.03 6.83 1ww9A1 ASN 373 HD22 -0.28 0.35 0.10 -0.04 7.74 7.86 1ww9A1 GLN 374 H 0.41 0.16 0.11 -0.55 8.47 8.60 1ww9A1 GLN 374 HA -0.03 0.17 0.78 -0.75 4.36 4.52 1ww9A1 GLN 374 HB2 -0.48 0.17 0.11 -0.04 2.15 1.91 1ww9A1 GLN 374 HB3 -0.14 -0.08 0.24 -0.04 2.02 2.00 1ww9A1 GLN 374 HG2 -0.17 -0.02 -0.02 -0.04 2.40 2.15 1ww9A1 GLN 374 HG3 -0.30 0.04 0.06 -0.04 2.39 2.15 1ww9A1 GLN 374 HE21 0.04 -0.09 -0.04 -0.04 6.97 6.84 1ww9A1 GLN 374 HE22 0.05 0.12 -0.04 -0.04 7.69 7.78 1ww9A1 GLY 375 H 0.03 0.03 -0.40 -0.55 8.43 7.54 1ww9A1 GLY 375 HA2 0.07 -0.04 0.28 -0.51 4.01 3.81 1ww9A1 GLY 375 HA3 0.04 0.20 0.70 -0.51 4.01 4.45 1ww9A1 ILE 376 H 0.12 0.17 0.10 -0.55 8.25 8.09 1ww9A1 ILE 376 HA 0.24 0.18 0.93 -0.75 4.18 4.78 1ww9A1 ILE 376 HB 0.12 0.01 0.12 -0.04 1.89 2.11 1ww9A1 ILE 376 HG12 0.31 0.07 -0.09 -0.04 1.49 1.74 1ww9A1 ILE 376 HG13 0.17 -0.11 -0.10 -0.04 1.21 1.13 1ww9A1 ILE 376 HG23 0.10 -0.01 -0.21 -0.04 0.93 0.77 1ww9A1 ILE 376 HD13 0.11 -0.03 0.00 -0.04 0.88 0.92 1ww9A1 GLN 377 H 0.03 0.54 0.24 -0.55 8.47 8.73 1ww9A1 GLN 377 HA -0.21 -0.03 0.46 -0.75 4.36 3.83 1ww9A1 GLN 377 HB2 -0.12 -0.01 -0.15 -0.04 2.15 1.82 1ww9A1 GLN 377 HB3 -0.07 0.02 -0.17 -0.04 2.02 1.76 1ww9A1 GLN 377 HG2 -0.09 0.14 -0.09 -0.04 2.40 2.33 1ww9A1 GLN 377 HG3 0.00 -0.05 -0.25 -0.04 2.39 2.05 1ww9A1 GLN 377 HE21 -0.04 -0.07 -0.11 -0.04 6.97 6.72 1ww9A1 GLN 377 HE22 -0.04 0.36 0.03 -0.04 7.69 7.99 1ww9A1 THR 378 H 0.61 0.07 0.24 -0.55 8.28 8.65 1ww9A1 THR 378 HA 0.09 0.29 0.93 -0.75 4.39 4.95 1ww9A1 THR 378 HB 0.05 0.01 0.19 -0.04 4.32 4.53 1ww9A1 THR 378 HG23 0.14 0.11 -0.09 -0.04 1.22 1.34 1ww9A1 GLN 379 H 0.04 0.30 0.18 -0.55 8.47 8.45 1ww9A1 GLN 379 HA 0.03 0.11 0.45 -0.75 4.36 4.20 1ww9A1 GLN 379 HB2 0.01 0.05 0.15 -0.04 2.15 2.32 1ww9A1 GLN 379 HB3 0.01 0.02 0.06 -0.04 2.02 2.07 1ww9A1 GLN 379 HG2 0.03 0.02 0.09 -0.04 2.40 2.50 1ww9A1 GLN 379 HG3 0.02 0.02 0.07 -0.04 2.39 2.46 1ww9A1 GLN 379 HE21 0.02 -0.00 0.01 -0.04 6.97 6.95 1ww9A1 GLN 379 HE22 0.02 0.01 0.01 -0.04 7.69 7.69 1ww9A1 ALA 380 H -0.01 0.10 -0.25 -0.55 8.40 7.69 1ww9A1 ALA 380 HA -0.05 0.12 0.40 -0.75 4.34 4.05 1ww9A1 ALA 380 HB3 -0.13 0.02 0.02 -0.04 1.41 1.28 1ww9A1 HIS 381 H -0.01 0.10 -0.25 -0.55 8.41 7.71 1ww9A1 HIS 381 HA 0.01 0.03 0.35 -0.75 4.63 4.27 1ww9A1 HIS 381 HB2 0.00 0.18 0.16 -0.04 3.26 3.57 1ww9A1 HIS 381 HB3 0.02 0.05 -0.02 -0.04 3.20 3.20 1ww9A1 HIS 381 HD2 0.03 0.01 -0.01 -0.04 6.97 6.94 1ww9A1 HIS 381 HE1 0.03 0.20 0.07 -0.04 7.75 8.00 1ww9A1 VAL 382 H 0.08 0.20 -0.28 -0.55 8.24 7.69 1ww9A1 VAL 382 HA 0.05 0.07 0.37 -0.75 4.13 3.87 1ww9A1 VAL 382 HB 0.03 -0.01 0.17 -0.04 2.12 2.26 1ww9A1 VAL 382 HG13 0.02 -0.00 -0.13 -0.04 0.97 0.81 1ww9A1 VAL 382 HG23 0.03 0.02 -0.04 -0.04 0.95 0.91 1ww9A1 SER 383 H 0.01 0.66 0.07 -0.55 8.46 8.65 1ww9A1 SER 383 HA 0.00 0.02 0.47 -0.75 4.49 4.22 1ww9A1 SER 383 HB2 -0.01 -0.07 0.10 -0.04 3.95 3.92 1ww9A1 SER 383 HB3 -0.00 -0.08 0.12 -0.04 3.93 3.92 1ww9A1 GLY 384 H -0.00 0.25 -0.58 -0.55 8.43 7.55 1ww9A1 GLY 384 HA2 -0.01 0.02 0.27 -0.51 4.01 3.78 1ww9A1 GLY 384 HA3 -0.02 0.11 0.58 -0.51 4.01 4.17 1ww9A1 LEU 385 H -0.06 0.09 0.13 -0.55 8.37 7.99 1ww9A1 LEU 385 HA -0.11 0.03 0.61 -0.75 4.35 4.12 1ww9A1 LEU 385 HB2 -0.04 -0.02 0.10 -0.04 1.64 1.65 1ww9A1 LEU 385 HB3 -0.09 -0.00 0.13 -0.04 1.64 1.64 1ww9A1 LEU 385 HG 0.02 0.20 -0.07 -0.04 1.64 1.74 1ww9A1 LEU 385 HD13 0.08 -0.04 0.06 -0.04 0.93 0.98 1ww9A1 LEU 385 HD23 0.03 -0.02 0.01 -0.04 0.89 0.88 1ww9A1 GLU 386 H -0.31 0.05 0.16 -0.55 8.60 7.96 1ww9A1 GLU 386 HA -0.27 0.15 0.41 -0.75 4.29 3.83 1ww9A1 GLU 386 HB2 -0.51 -0.02 0.12 -0.04 2.09 1.64 1ww9A1 GLU 386 HB3 -0.39 -0.08 -0.05 -0.04 1.99 1.43 1ww9A1 GLU 386 HG2 -0.14 -0.04 0.02 -0.04 2.34 2.15 1ww9A1 GLU 386 HG3 -0.11 0.03 0.06 -0.04 2.34 2.27 1ww9A1 HIS 387 H -0.07 0.23 0.19 -0.55 8.41 8.22 1ww9A1 HIS 387 HA -0.03 0.17 0.89 -0.75 4.63 4.91 1ww9A1 HIS 387 HB2 -0.06 0.00 0.13 -0.04 3.26 3.29 1ww9A1 HIS 387 HB3 -0.33 -0.01 0.05 -0.04 3.20 2.87 1ww9A1 HIS 387 HD2 -0.02 -0.00 0.02 -0.04 6.97 6.91 1ww9A1 HIS 387 HE1 0.01 -0.02 0.01 -0.04 7.75 7.70 1ww9A1 HIS 388 H 0.03 0.22 0.10 -0.55 8.41 8.21 1ww9A1 HIS 388 HA 0.11 0.04 0.33 -0.75 4.63 4.35 1ww9A1 HIS 388 HB2 0.07 0.29 0.27 -0.04 3.26 3.84 1ww9A1 HIS 388 HB3 0.06 -0.01 0.15 -0.04 3.20 3.35 1ww9A1 HIS 388 HD2 0.06 0.06 -0.14 -0.04 6.97 6.92 1ww9A1 HIS 388 HE1 0.03 0.00 -0.01 -0.04 7.75 7.73 1ww9A1 HIS 389 H 0.16 0.01 -1.04 -0.55 8.41 6.99 1ww9A1 HIS 389 HA 0.02 0.04 -0.01 -0.75 4.63 3.92 1ww9A1 HIS 389 HB2 0.02 0.02 -0.27 -0.04 3.26 2.99 1ww9A1 HIS 389 HB3 0.01 0.02 -0.01 -0.04 3.20 3.17 1ww9A1 HIS 389 HD2 -0.02 -0.00 -0.02 -0.04 6.97 6.88 1ww9A1 HIS 389 HE1 -0.09 0.16 0.01 -0.04 7.75 7.78