============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. TYR 2 0.840 -1.451 29.808 2.862 -99.200 -91.000 TYR 4 0.840 -3.018 24.400 6.463 -99.200 -91.000 HIS 19 0.900 2.166 26.285 3.341 -99.200 -91.000 PHE 20 1.000 4.306 22.403 10.719 -99.200 -91.000 TYR 21 0.840 -4.232 24.063 11.444 -99.200 -91.000 PHE 29 1.000 9.670 34.056 27.326 -99.200 -91.000 TYR 31 0.840 17.258 31.120 22.364 -99.200 -91.000 TYR 38 0.840 14.874 39.279 19.565 -99.200 -91.000 TYR 50 0.840 0.818 8.794 18.171 -99.200 -91.000 TYR 58 0.840 10.938 15.098 20.414 -99.200 -91.000 TYR 64 0.840 16.372 30.013 12.828 -99.200 -91.000 PHE 68 1.000 10.036 38.565 23.622 -99.200 -91.000 HIS 75 0.900 2.957 32.113 29.190 -99.200 -91.000 HIS 84 0.900 -0.231 29.678 6.551 -99.200 -91.000 TYR 91 0.840 20.575 19.775 14.103 -99.200 -91.000 PHE 97 1.000 8.213 19.885 9.643 -99.200 -91.000 PHE 102 1.000 14.913 36.094 8.956 -99.200 -91.000 TYR 103 0.840 11.582 35.792 2.177 -99.200 -91.000 TRP 107 1.040 4.592 32.627 15.008 -99.200 -91.000 TRP6 107 1.020 3.253 33.329 16.829 -99.200 -91.000 PHE 110 1.000 -5.709 28.334 15.121 -99.200 -91.000 PHE 133 1.000 -3.123 30.858 22.320 -99.200 -91.000 PHE 135 1.000 -3.062 37.268 14.638 -99.200 -91.000 HIS 139 0.900 -4.416 42.219 8.704 -99.200 -91.000 TRP 156 1.040 -4.225 12.414 17.721 -99.200 -91.000 TRP6 156 1.020 -2.204 13.444 18.400 -99.200 -91.000 TYR 160 0.840 0.427 12.647 22.321 -99.200 -91.000 PHE 161 1.000 -0.582 16.835 25.806 -99.200 -91.000 TYR 164 0.840 -0.191 6.973 24.211 -99.200 -91.000 TYR 172 0.840 10.007 13.920 33.887 -99.200 -91.000 PHE 185 1.000 18.577 19.998 36.279 -99.200 -91.000 HIS 195 0.900 7.774 34.798 49.648 -99.200 -91.000 TYR 200 0.840 11.297 45.040 39.821 -99.200 -91.000 PHE 214 1.000 16.570 21.151 43.771 -99.200 -91.000 TYR 215 0.840 12.175 26.928 48.533 -99.200 -91.000 PHE 223 1.000 8.813 31.643 32.963 -99.200 -91.000 HIS 225 0.900 2.599 30.220 32.671 -99.200 -91.000 TYR 239 0.840 22.384 21.326 43.028 -99.200 -91.000 HIS 253 0.900 18.859 34.604 26.938 -99.200 -91.000 TYR 254 0.840 19.185 29.126 27.345 -99.200 -91.000 PHE 260 1.000 2.319 18.902 31.572 -99.200 -91.000 HIS 278 0.900 3.085 22.427 55.353 -99.200 -91.000 HIS 303 0.900 -12.973 33.292 52.188 -99.200 -91.000 PHE 315 1.000 -3.773 48.693 55.126 -99.200 -91.000 HIS 316 0.900 -0.433 53.674 50.533 -99.200 -91.000 HIS 317 0.900 -3.502 52.993 44.676 -99.200 -91.000 PHE 330 1.000 -10.897 44.039 49.722 -99.200 -91.000 PHE 334 1.000 -0.660 40.359 56.950 -99.200 -91.000 TYR 335 0.840 7.739 42.159 55.856 -99.200 -91.000 TRP 347 1.040 -0.952 39.813 72.148 -99.200 -91.000 TRP6 347 1.020 -0.111 38.103 70.750 -99.200 -91.000 TYR 351 0.840 -17.083 43.760 73.108 -99.200 -91.000 PHE 372 1.000 -6.954 35.442 71.184 -99.200 -91.000 PHE 376 1.000 -1.267 39.882 64.109 -99.200 -91.000 TYR 390 0.840 0.898 50.033 54.698 -99.200 -91.000 TYR 395 0.840 -9.327 45.276 67.549 -99.200 -91.000 PHE 404 1.000 -3.947 34.662 62.996 -99.200 -91.000 PHE 405 1.000 -3.016 34.730 67.875 -99.200 -91.000 HIS 413 0.900 -3.325 39.655 82.585 -99.200 -91.000 PHE 432 1.000 14.295 37.529 56.325 -99.200 -91.000 TYR 435 0.840 7.216 36.611 53.871 -99.200 -91.000 PHE 446 1.000 -9.250 51.365 61.768 -99.200 -91.000 TYR 447 0.840 -8.529 46.585 54.602 -99.200 -91.000 TYR 456 0.840 4.327 25.875 59.853 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ph1A1 LYS 35 HA 0.02 -0.14 0.20 -0.75 4.32 3.65 1ph1A1 LYS 35 HB2 -0.04 -0.02 0.03 -0.04 1.87 1.80 1ph1A1 LYS 35 HB3 -0.09 0.01 0.02 -0.04 1.79 1.68 1ph1A1 LYS 35 HG2 -0.03 0.03 -0.35 -0.04 1.46 1.07 1ph1A1 LYS 35 HG3 0.01 -0.07 -0.03 -0.04 1.46 1.33 1ph1A1 LYS 35 HD2 -0.02 -0.01 -0.03 -0.04 1.69 1.60 1ph1A1 LYS 35 HD3 -0.03 0.01 -0.08 -0.04 1.68 1.54 1ph1A1 LYS 35 HE2 0.00 0.02 -0.09 -0.04 2.99 2.87 1ph1A1 LYS 35 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.88 1ph1A1 TYR 36 H 0.13 0.07 0.09 -0.55 8.29 8.03 1ph1A1 TYR 36 HA -0.25 0.24 0.96 -0.75 4.56 4.75 1ph1A1 TYR 36 HB2 -0.33 -0.07 0.04 -0.04 3.06 2.66 1ph1A1 TYR 36 HB3 -0.84 0.00 -0.09 -0.04 2.98 2.01 1ph1A1 TYR 36 HD2 -1.05 -0.07 -0.07 -0.04 7.15 5.92 1ph1A1 TYR 36 HE2 -0.46 -0.00 -0.06 -0.04 6.85 6.29 1ph1A1 GLU 37 H -0.00 0.23 0.11 -0.55 8.60 8.40 1ph1A1 GLU 37 HA -0.03 0.11 0.78 -0.75 4.29 4.39 1ph1A1 GLU 37 HB2 -0.02 0.02 0.05 -0.04 2.09 2.10 1ph1A1 GLU 37 HB3 -0.00 0.00 0.15 -0.04 1.99 2.10 1ph1A1 GLU 37 HG2 0.00 0.00 -0.02 -0.04 2.34 2.28 1ph1A1 GLU 37 HG3 0.03 0.05 -0.07 -0.04 2.34 2.31 1ph1A1 TYR 38 H 0.12 0.14 0.09 -0.55 8.29 8.09 1ph1A1 TYR 38 HA 0.20 0.26 0.68 -0.75 4.56 4.95 1ph1A1 TYR 38 HB2 0.12 -0.03 0.08 -0.04 3.06 3.20 1ph1A1 TYR 38 HB3 0.21 -0.03 -0.04 -0.04 2.98 3.08 1ph1A1 TYR 38 HD2 0.16 -0.01 -0.20 -0.04 7.15 7.06 1ph1A1 TYR 38 HE2 0.12 0.02 -0.11 -0.04 6.85 6.83 1ph1A1 VAL 39 H 0.25 0.74 0.44 -0.55 8.24 9.13 1ph1A1 VAL 39 HA 0.11 0.15 0.99 -0.75 4.13 4.62 1ph1A1 VAL 39 HB 0.09 0.02 -0.04 -0.04 2.12 2.15 1ph1A1 VAL 39 HG13 0.18 0.05 -0.04 -0.04 0.97 1.11 1ph1A1 VAL 39 HG23 0.07 0.03 -0.15 -0.04 0.95 0.87 1ph1A1 GLU 40 H 0.06 0.14 0.11 -0.55 8.60 8.36 1ph1A1 GLU 40 HA 0.01 0.12 0.60 -0.75 4.29 4.27 1ph1A1 GLU 40 HB2 -0.00 0.02 0.11 -0.04 2.09 2.17 1ph1A1 GLU 40 HB3 -0.05 -0.11 0.05 -0.04 1.99 1.84 1ph1A1 GLU 40 HG2 -0.06 0.02 0.02 -0.04 2.34 2.28 1ph1A1 GLU 40 HG3 0.01 0.03 0.01 -0.04 2.34 2.34 1ph1A1 LEU 41 H -0.08 0.14 0.13 -0.55 8.37 8.02 1ph1A1 LEU 41 HA 0.01 0.13 0.21 -0.75 4.35 3.95 1ph1A1 LEU 41 HB2 -0.06 -0.12 0.04 -0.04 1.64 1.46 1ph1A1 LEU 41 HB3 0.01 0.08 -0.08 -0.04 1.64 1.61 1ph1A1 LEU 41 HG -0.21 -0.02 0.04 -0.04 1.64 1.41 1ph1A1 LEU 41 HD13 -0.12 -0.00 -0.17 -0.04 0.93 0.59 1ph1A1 LEU 41 HD23 -0.88 0.02 -0.11 -0.04 0.89 -0.12 1ph1A1 ALA 42 H -0.00 -0.02 -0.23 -0.55 8.40 7.60 1ph1A1 ALA 42 HA 0.02 0.14 0.47 -0.75 4.34 4.22 1ph1A1 ALA 42 HB3 -0.00 0.01 -0.01 -0.04 1.41 1.37 1ph1A1 LYS 43 H 0.03 0.17 -0.39 -0.55 8.42 7.67 1ph1A1 LYS 43 HA 0.02 0.20 0.74 -0.75 4.32 4.53 1ph1A1 LYS 43 HB2 0.03 -0.06 0.05 -0.04 1.87 1.85 1ph1A1 LYS 43 HB3 0.02 -0.00 0.11 -0.04 1.79 1.88 1ph1A1 LYS 43 HG2 0.01 0.08 -0.07 -0.04 1.46 1.44 1ph1A1 LYS 43 HG3 0.01 -0.12 -0.12 -0.04 1.46 1.19 1ph1A1 LYS 43 HD2 0.01 -0.08 0.02 -0.04 1.69 1.59 1ph1A1 LYS 43 HD3 0.01 0.03 0.01 -0.04 1.68 1.69 1ph1A1 LYS 43 HE2 0.00 0.04 -0.02 -0.04 2.99 2.97 1ph1A1 LYS 43 HE3 -0.00 -0.03 -0.03 -0.04 2.99 2.89 1ph1A1 ALA 44 H 0.09 0.23 -0.36 -0.55 8.40 7.81 1ph1A1 ALA 44 HA 0.09 -0.02 0.39 -0.75 4.34 4.05 1ph1A1 ALA 44 HB3 0.23 0.02 -0.09 -0.04 1.41 1.53 1ph1A1 SER 45 H 0.04 0.10 0.14 -0.55 8.46 8.20 1ph1A1 SER 45 HA -0.00 0.09 0.57 -0.75 4.49 4.40 1ph1A1 SER 45 HB2 0.01 0.06 0.13 -0.04 3.95 4.10 1ph1A1 SER 45 HB3 0.01 0.12 0.18 -0.04 3.93 4.20 1ph1A1 LEU 46 H -0.02 0.11 0.17 -0.55 8.37 8.08 1ph1A1 LEU 46 HA -0.06 0.24 0.51 -0.75 4.35 4.29 1ph1A1 LEU 46 HB2 -0.03 -0.04 0.06 -0.04 1.64 1.59 1ph1A1 LEU 46 HB3 -0.04 -0.02 -0.01 -0.04 1.64 1.54 1ph1A1 LEU 46 HG -0.06 0.12 -0.14 -0.04 1.64 1.52 1ph1A1 LEU 46 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 1ph1A1 LEU 46 HD23 -0.09 -0.01 -0.22 -0.04 0.89 0.53 1ph1A1 THR 47 H -0.01 -0.06 -0.01 -0.55 8.28 7.64 1ph1A1 THR 47 HA -0.01 0.18 0.60 -0.75 4.39 4.40 1ph1A1 THR 47 HB -0.01 0.03 0.02 -0.04 4.32 4.32 1ph1A1 THR 47 HG23 -0.01 -0.00 0.01 -0.04 1.22 1.18 1ph1A1 SER 48 H -0.01 0.00 -0.05 -0.55 8.46 7.87 1ph1A1 SER 48 HA -0.01 0.08 0.52 -0.75 4.49 4.33 1ph1A1 SER 48 HB2 -0.00 0.00 0.11 -0.04 3.95 4.02 1ph1A1 SER 48 HB3 -0.00 0.00 0.20 -0.04 3.93 4.08 1ph1A1 ALA 49 H -0.00 0.23 0.20 -0.55 8.40 8.28 1ph1A1 ALA 49 HA -0.00 0.17 0.36 -0.75 4.34 4.11 1ph1A1 ALA 49 HB3 -0.00 -0.00 0.15 -0.04 1.41 1.52 1ph1A1 GLN 50 H -0.00 0.28 -1.00 -0.55 8.47 7.20 1ph1A1 GLN 50 HA 0.01 0.10 0.60 -0.75 4.36 4.31 1ph1A1 GLN 50 HB2 -0.01 -0.02 0.00 -0.04 2.15 2.08 1ph1A1 GLN 50 HB3 -0.02 0.09 0.02 -0.04 2.02 2.07 1ph1A1 GLN 50 HG2 -0.00 -0.12 -0.14 -0.04 2.40 2.10 1ph1A1 GLN 50 HG3 -0.01 -0.02 -0.02 -0.04 2.39 2.30 1ph1A1 GLN 50 HE21 0.01 -0.00 -0.04 -0.04 6.97 6.90 1ph1A1 GLN 50 HE22 0.00 -0.07 -0.20 -0.04 7.69 7.38 1ph1A1 PRO 51 HA 0.03 0.26 0.41 -0.51 4.44 4.63 1ph1A1 PRO 51 HB2 0.02 -0.02 0.10 -0.04 2.28 2.33 1ph1A1 PRO 51 HB3 0.06 -0.05 0.04 -0.04 2.02 2.03 1ph1A1 PRO 51 HG2 0.05 0.02 0.07 -0.04 2.03 2.12 1ph1A1 PRO 51 HG3 0.05 0.07 0.01 -0.04 2.03 2.12 1ph1A1 PRO 51 HD2 0.00 0.06 0.20 -0.04 3.68 3.90 1ph1A1 PRO 51 HD3 0.02 0.13 0.24 -0.04 3.65 3.99 1ph1A1 GLN 52 H 0.02 0.63 0.44 -0.55 8.47 9.01 1ph1A1 GLN 52 HA -0.39 0.17 0.97 -0.75 4.36 4.36 1ph1A1 GLN 52 HB2 0.19 0.01 0.06 -0.04 2.15 2.37 1ph1A1 GLN 52 HB3 0.08 -0.04 0.11 -0.04 2.02 2.13 1ph1A1 GLN 52 HG2 -0.03 -0.01 -0.03 -0.04 2.40 2.29 1ph1A1 GLN 52 HG3 0.01 0.31 -0.20 -0.04 2.39 2.48 1ph1A1 GLN 52 HE21 0.04 0.05 0.11 -0.04 6.97 7.13 1ph1A1 GLN 52 HE22 0.05 0.16 0.09 -0.04 7.69 7.95 1ph1A1 HIS 53 H -0.18 0.29 0.30 -0.55 8.41 8.27 1ph1A1 HIS 53 HA -0.04 0.27 1.04 -0.75 4.63 5.15 1ph1A1 HIS 53 HB2 -0.23 0.00 -0.07 -0.04 3.26 2.92 1ph1A1 HIS 53 HB3 0.13 0.12 0.15 -0.04 3.20 3.56 1ph1A1 HIS 53 HD2 -0.15 -0.08 0.07 -0.04 6.97 6.77 1ph1A1 HIS 53 HE1 0.02 0.07 -0.07 -0.04 7.75 7.73 1ph1A1 PHE 54 H -0.22 0.50 0.35 -0.55 8.34 8.42 1ph1A1 PHE 54 HA 0.34 -0.00 0.70 -0.75 4.62 4.90 1ph1A1 PHE 54 HB2 -0.01 0.06 0.12 -0.04 3.15 3.28 1ph1A1 PHE 54 HB3 0.01 0.12 -0.26 -0.04 3.06 2.89 1ph1A1 PHE 54 HD2 -0.15 0.03 -0.58 -0.04 7.28 6.54 1ph1A1 PHE 54 HE2 -0.28 0.00 -0.23 -0.04 7.38 6.84 1ph1A1 PHE 54 HZ -0.21 0.01 -0.19 -0.04 7.32 6.89 1ph1A1 TYR 55 H 0.37 0.20 0.22 -0.55 8.29 8.52 1ph1A1 TYR 55 HA 0.01 0.25 1.00 -0.75 4.56 5.07 1ph1A1 TYR 55 HB2 -0.10 -0.07 0.09 -0.04 3.06 2.95 1ph1A1 TYR 55 HB3 -0.08 0.05 -0.04 -0.04 2.98 2.86 1ph1A1 TYR 55 HD2 -0.47 -0.02 -0.11 -0.04 7.15 6.51 1ph1A1 TYR 55 HE2 -1.07 -0.00 -0.10 -0.04 6.85 5.64 1ph1A1 ALA 56 H 0.17 0.51 0.38 -0.55 8.40 8.92 1ph1A1 ALA 56 HA 0.06 0.09 0.65 -0.75 4.34 4.39 1ph1A1 ALA 56 HB3 0.04 0.01 -0.10 -0.04 1.41 1.32 1ph1A1 VAL 57 H 0.13 0.83 0.47 -0.55 8.24 9.12 1ph1A1 VAL 57 HA 0.19 0.23 0.94 -0.75 4.13 4.74 1ph1A1 VAL 57 HB 0.42 -0.04 0.13 -0.04 2.12 2.58 1ph1A1 VAL 57 HG13 0.41 0.05 -0.10 -0.04 0.97 1.29 1ph1A1 VAL 57 HG23 0.41 -0.01 -0.02 -0.04 0.95 1.29 1ph1A1 VAL 58 H 0.14 0.66 0.29 -0.55 8.24 8.77 1ph1A1 VAL 58 HA 0.10 0.21 0.85 -0.75 4.13 4.54 1ph1A1 VAL 58 HB 0.06 -0.01 0.12 -0.04 2.12 2.25 1ph1A1 VAL 58 HG13 0.01 0.01 -0.18 -0.04 0.97 0.76 1ph1A1 VAL 58 HG23 0.03 0.00 -0.14 -0.04 0.95 0.81 1ph1A1 ILE 59 H 0.10 0.59 0.39 -0.55 8.25 8.78 1ph1A1 ILE 59 HA 0.23 0.10 1.02 -0.75 4.18 4.78 1ph1A1 ILE 59 HB 0.17 -0.03 0.05 -0.04 1.89 2.04 1ph1A1 ILE 59 HG12 0.09 0.12 -0.10 -0.04 1.49 1.56 1ph1A1 ILE 59 HG13 -0.02 -0.01 -0.27 -0.04 1.21 0.87 1ph1A1 ILE 59 HG23 0.42 0.02 -0.20 -0.04 0.93 1.12 1ph1A1 ILE 59 HD13 0.09 0.00 -0.15 -0.04 0.88 0.78 1ph1A1 ASP 60 H 0.01 0.22 0.24 -0.55 8.40 8.33 1ph1A1 ASP 60 HA -0.02 0.12 0.48 -0.75 4.63 4.46 1ph1A1 ASP 60 HB2 -0.04 0.18 -0.20 -0.04 2.71 2.60 1ph1A1 ASP 60 HB3 -0.10 -0.10 -0.04 -0.04 2.70 2.42 1ph1A1 ALA 61 H -0.01 0.28 0.13 -0.55 8.40 8.26 1ph1A1 ALA 61 HA -0.02 0.18 0.71 -0.75 4.34 4.46 1ph1A1 ALA 61 HB3 -0.05 0.03 -0.03 -0.04 1.41 1.32 1ph1A1 THR 62 H 0.02 0.52 0.34 -0.55 8.28 8.62 1ph1A1 THR 62 HA 0.12 0.08 0.63 -0.75 4.39 4.47 1ph1A1 THR 62 HB 0.17 0.16 0.25 -0.04 4.32 4.86 1ph1A1 THR 62 HG23 0.05 -0.01 0.06 -0.04 1.22 1.27 1ph1A1 PHE 63 H 0.32 0.56 0.14 -0.55 8.34 8.81 1ph1A1 PHE 63 HA 0.06 0.02 0.59 -0.75 4.62 4.53 1ph1A1 PHE 63 HB2 0.17 0.18 0.03 -0.04 3.15 3.50 1ph1A1 PHE 63 HB3 0.15 0.06 0.01 -0.04 3.06 3.25 1ph1A1 PHE 63 HD2 0.20 0.08 0.05 -0.04 7.28 7.58 1ph1A1 PHE 63 HE2 0.18 -0.03 0.06 -0.04 7.38 7.55 1ph1A1 PHE 63 HZ 0.15 -0.05 0.06 -0.04 7.32 7.44 1ph1A1 PRO 64 HA -0.06 0.17 0.58 -0.51 4.44 4.62 1ph1A1 PRO 64 HB2 -0.45 -0.06 0.02 -0.04 2.28 1.75 1ph1A1 PRO 64 HB3 -0.33 -0.03 -0.07 -0.04 2.02 1.54 1ph1A1 PRO 64 HG2 -0.76 0.06 -0.28 -0.04 2.03 1.01 1ph1A1 PRO 64 HG3 -0.47 0.15 -0.16 -0.04 2.03 1.51 1ph1A1 PRO 64 HD2 -1.72 0.04 0.17 -0.04 3.68 2.12 1ph1A1 PRO 64 HD3 -0.83 0.08 0.21 -0.04 3.65 3.07 1ph1A1 TYR 65 H -0.08 0.65 0.40 -0.55 8.29 8.70 1ph1A1 TYR 65 HA 0.34 0.17 0.87 -0.75 4.56 5.19 1ph1A1 TYR 65 HB2 -0.19 -0.06 -0.00 -0.04 3.06 2.76 1ph1A1 TYR 65 HB3 0.05 0.13 -0.25 -0.04 2.98 2.88 1ph1A1 TYR 65 HD2 0.05 0.29 -0.09 -0.04 7.15 7.35 1ph1A1 TYR 65 HE2 -0.05 -0.06 -0.10 -0.04 6.85 6.61 1ph1A1 LYS 66 H 0.40 0.14 0.14 -0.55 8.42 8.55 1ph1A1 LYS 66 HA -0.34 0.19 0.82 -0.75 4.32 4.24 1ph1A1 LYS 66 HB2 0.01 -0.04 0.06 -0.04 1.87 1.86 1ph1A1 LYS 66 HB3 0.06 -0.01 0.06 -0.04 1.79 1.87 1ph1A1 LYS 66 HG2 -0.25 0.08 0.02 -0.04 1.46 1.28 1ph1A1 LYS 66 HG3 -1.07 -0.01 -0.06 -0.04 1.46 0.28 1ph1A1 LYS 66 HD2 -0.05 -0.07 -0.03 -0.04 1.69 1.50 1ph1A1 LYS 66 HD3 -0.07 -0.01 -0.01 -0.04 1.68 1.55 1ph1A1 LYS 66 HE2 -0.15 0.24 0.10 -0.04 2.99 3.14 1ph1A1 LYS 66 HE3 -0.35 -0.08 -0.16 -0.04 2.99 2.36 1ph1A1 THR 67 H -0.15 0.52 0.34 -0.55 8.28 8.44 1ph1A1 THR 67 HA 0.16 0.23 1.03 -0.75 4.39 5.06 1ph1A1 THR 67 HB 0.06 -0.02 -0.02 -0.04 4.32 4.31 1ph1A1 THR 67 HG23 0.06 0.01 -0.14 -0.04 1.22 1.11 1ph1A1 ASN 68 H -0.09 0.07 0.14 -0.55 8.53 8.09 1ph1A1 ASN 68 HA -0.01 0.23 0.58 -0.75 4.76 4.80 1ph1A1 ASN 68 HB2 -0.02 -0.13 0.25 -0.04 2.88 2.94 1ph1A1 ASN 68 HB3 -0.01 0.17 -0.00 -0.04 2.79 2.92 1ph1A1 ASN 68 HD21 -0.02 0.04 -0.08 -0.04 7.03 6.93 1ph1A1 ASN 68 HD22 -0.00 0.11 -0.18 -0.04 7.74 7.63 1ph1A1 GLN 69 H -0.04 0.14 0.17 -0.55 8.47 8.20 1ph1A1 GLN 69 HA -0.04 0.26 0.83 -0.75 4.36 4.65 1ph1A1 GLN 69 HB2 -0.02 -0.02 0.13 -0.04 2.15 2.19 1ph1A1 GLN 69 HB3 -0.01 0.05 0.08 -0.04 2.02 2.10 1ph1A1 GLN 69 HG2 -0.01 0.05 0.00 -0.04 2.40 2.40 1ph1A1 GLN 69 HG3 -0.02 -0.04 -0.04 -0.04 2.39 2.25 1ph1A1 GLN 69 HE21 -0.01 0.01 0.00 -0.04 6.97 6.94 1ph1A1 GLN 69 HE22 -0.01 0.00 -0.01 -0.04 7.69 7.64 1ph1A1 GLU 70 H -0.06 -0.01 0.01 -0.55 8.60 7.99 1ph1A1 GLU 70 HA 0.00 0.32 0.95 -0.75 4.29 4.81 1ph1A1 GLU 70 HB2 -0.07 -0.02 0.06 -0.04 2.09 2.02 1ph1A1 GLU 70 HB3 -0.04 0.04 0.20 -0.04 1.99 2.15 1ph1A1 GLU 70 HG2 -0.01 0.13 -0.17 -0.04 2.34 2.25 1ph1A1 GLU 70 HG3 -0.03 -0.17 -0.24 -0.04 2.34 1.86 1ph1A1 ARG 71 H -0.16 0.06 -0.13 -0.55 8.46 7.67 1ph1A1 ARG 71 HA 0.02 0.42 1.13 -0.75 4.34 5.15 1ph1A1 ARG 71 HB2 -0.06 0.02 -0.28 -0.04 1.90 1.54 1ph1A1 ARG 71 HB3 -0.06 -0.17 0.03 -0.04 1.80 1.56 1ph1A1 ARG 71 HG2 0.05 0.03 -0.29 -0.04 1.67 1.43 1ph1A1 ARG 71 HG3 0.08 0.06 0.02 -0.04 1.67 1.80 1ph1A1 ARG 71 HD2 -0.00 -0.01 -0.08 -0.04 3.22 3.09 1ph1A1 ARG 71 HD3 0.03 -0.06 -0.10 -0.04 3.22 3.05 1ph1A1 TYR 72 H 0.20 0.71 0.28 -0.55 8.29 8.94 1ph1A1 TYR 72 HA -0.06 0.25 0.99 -0.75 4.56 4.98 1ph1A1 TYR 72 HB2 0.02 -0.06 -0.29 -0.04 3.06 2.69 1ph1A1 TYR 72 HB3 -0.02 0.09 -0.27 -0.04 2.98 2.74 1ph1A1 TYR 72 HD2 0.14 0.03 -0.65 -0.04 7.15 6.63 1ph1A1 TYR 72 HE2 0.11 0.15 -0.18 -0.04 6.85 6.89 1ph1A1 ILE 73 H -0.38 0.78 0.36 -0.55 8.25 8.46 1ph1A1 ILE 73 HA -0.26 0.37 1.16 -0.75 4.18 4.70 1ph1A1 ILE 73 HB -0.88 0.01 0.02 -0.04 1.89 0.99 1ph1A1 ILE 73 HG12 -0.22 0.04 -0.12 -0.04 1.49 1.15 1ph1A1 ILE 73 HG13 -0.13 -0.12 -0.44 -0.04 1.21 0.48 1ph1A1 ILE 73 HG23 -0.33 -0.01 -0.17 -0.04 0.93 0.38 1ph1A1 ILE 73 HD13 0.02 -0.00 -0.11 -0.04 0.88 0.74 1ph1A1 CYS 74 H -0.27 0.50 0.29 -0.55 8.50 8.46 1ph1A1 CYS 74 HA -0.06 0.22 0.70 -0.75 4.58 4.68 1ph1A1 CYS 74 HB2 -0.24 0.00 -0.11 -0.04 2.97 2.58 1ph1A1 CYS 74 HB3 -0.25 -0.09 0.10 -0.04 2.97 2.69 1ph1A1 SER 75 H 0.03 0.21 0.14 -0.55 8.46 8.29 1ph1A1 SER 75 HA -0.06 0.30 1.14 -0.75 4.49 5.11 1ph1A1 SER 75 HB2 -0.00 -0.02 -0.00 -0.04 3.95 3.88 1ph1A1 SER 75 HB3 0.04 -0.03 0.13 -0.04 3.93 4.03 1ph1A1 LEU 76 H -0.02 0.73 0.44 -0.55 8.37 8.98 1ph1A1 LEU 76 HA -0.03 0.15 0.85 -0.75 4.35 4.57 1ph1A1 LEU 76 HB2 -0.02 0.02 0.12 -0.04 1.64 1.72 1ph1A1 LEU 76 HB3 -0.06 0.03 0.18 -0.04 1.64 1.75 1ph1A1 LEU 76 HG -0.04 -0.06 -0.09 -0.04 1.64 1.41 1ph1A1 LEU 76 HD13 -0.13 -0.01 -0.14 -0.04 0.93 0.61 1ph1A1 LEU 76 HD23 -0.14 0.04 -0.26 -0.04 0.89 0.49 1ph1A1 LYS 77 H -0.04 0.57 0.33 -0.55 8.42 8.72 1ph1A1 LYS 77 HA 0.01 0.25 1.06 -0.75 4.32 4.89 1ph1A1 LYS 77 HB2 -0.19 -0.12 0.11 -0.04 1.87 1.62 1ph1A1 LYS 77 HB3 -0.49 0.08 -0.00 -0.04 1.79 1.34 1ph1A1 LYS 77 HG2 -0.26 0.05 -0.14 -0.04 1.46 1.08 1ph1A1 LYS 77 HG3 -0.16 -0.06 -0.19 -0.04 1.46 1.01 1ph1A1 LYS 77 HD2 -0.38 -0.02 -0.11 -0.04 1.69 1.15 1ph1A1 LYS 77 HD3 -1.55 0.04 -0.12 -0.04 1.68 0.01 1ph1A1 LYS 77 HE2 -0.14 0.02 -0.09 -0.04 2.99 2.74 1ph1A1 LYS 77 HE3 -0.12 0.01 -0.12 -0.04 2.99 2.72 1ph1A1 ILE 78 H 0.10 0.66 0.29 -0.55 8.25 8.76 1ph1A1 ILE 78 HA 0.09 0.30 1.29 -0.75 4.18 5.11 1ph1A1 ILE 78 HB -0.02 -0.03 -0.05 -0.04 1.89 1.75 1ph1A1 ILE 78 HG12 0.04 0.04 -0.26 -0.04 1.49 1.26 1ph1A1 ILE 78 HG13 -0.04 -0.09 -0.14 -0.04 1.21 0.90 1ph1A1 ILE 78 HG23 0.06 -0.01 -0.34 -0.04 0.93 0.60 1ph1A1 ILE 78 HD13 -0.43 0.00 -0.23 -0.04 0.88 0.18 1ph1A1 VAL 79 H 0.12 0.54 0.45 -0.55 8.24 8.80 1ph1A1 VAL 79 HA 0.08 0.23 1.06 -0.75 4.13 4.75 1ph1A1 VAL 79 HB 0.30 -0.01 0.05 -0.04 2.12 2.42 1ph1A1 VAL 79 HG13 0.20 -0.01 -0.06 -0.04 0.97 1.05 1ph1A1 VAL 79 HG23 0.27 0.04 -0.01 -0.04 0.95 1.20 1ph1A1 ASP 80 H -0.07 0.57 0.30 -0.55 8.40 8.65 1ph1A1 ASP 80 HA -0.69 0.17 0.54 -0.75 4.63 3.89 1ph1A1 ASP 80 HB2 -0.31 0.10 0.26 -0.04 2.71 2.71 1ph1A1 ASP 80 HB3 -0.17 0.10 -0.09 -0.04 2.70 2.50 1ph1A1 PRO 81 HA -0.86 0.12 0.37 -0.51 4.44 3.56 1ph1A1 PRO 81 HB2 -0.39 -0.01 0.04 -0.04 2.28 1.87 1ph1A1 PRO 81 HB3 -0.49 0.08 0.10 -0.04 2.02 1.67 1ph1A1 PRO 81 HG2 -0.67 0.07 0.06 -0.04 2.03 1.44 1ph1A1 PRO 81 HG3 -2.42 0.08 0.07 -0.04 2.03 -0.28 1ph1A1 PRO 81 HD2 -0.56 0.08 0.20 -0.04 3.68 3.37 1ph1A1 PRO 81 HD3 -1.14 0.16 0.22 -0.04 3.65 2.85 1ph1A1 THR 82 H -0.19 -0.04 -0.44 -0.55 8.28 7.05 1ph1A1 THR 82 HA 0.04 0.30 0.91 -0.75 4.39 4.89 1ph1A1 THR 82 HB -0.01 0.09 0.10 -0.04 4.32 4.46 1ph1A1 THR 82 HG23 -0.06 0.01 -0.08 -0.04 1.22 1.06 1ph1A1 LEU 83 H 0.03 0.48 -0.13 -0.55 8.37 8.20 1ph1A1 LEU 83 HA -0.01 0.13 0.63 -0.75 4.35 4.35 1ph1A1 LEU 83 HB2 0.00 0.07 -0.22 -0.04 1.64 1.45 1ph1A1 LEU 83 HB3 0.01 -0.14 0.06 -0.04 1.64 1.52 1ph1A1 LEU 83 HG 0.05 0.02 -0.26 -0.04 1.64 1.40 1ph1A1 LEU 83 HD13 -0.04 0.01 -0.12 -0.04 0.93 0.73 1ph1A1 LEU 83 HD23 0.04 0.03 -0.23 -0.04 0.89 0.68 1ph1A1 TYR 84 H -0.18 -0.03 0.13 -0.55 8.29 7.67 1ph1A1 TYR 84 HA 0.05 0.31 0.91 -0.75 4.56 5.08 1ph1A1 TYR 84 HB2 -0.41 -0.01 0.07 -0.04 3.06 2.67 1ph1A1 TYR 84 HB3 0.04 0.05 -0.20 -0.04 2.98 2.83 1ph1A1 TYR 84 HD2 -0.02 -0.06 -0.22 -0.04 7.15 6.81 1ph1A1 TYR 84 HE2 0.02 0.08 -0.04 -0.04 6.85 6.88 1ph1A1 LEU 85 H -0.49 0.03 0.20 -0.55 8.37 7.57 1ph1A1 LEU 85 HA -0.11 -0.06 1.04 -0.75 4.35 4.47 1ph1A1 LEU 85 HB2 -0.56 -0.06 -0.26 -0.04 1.64 0.72 1ph1A1 LEU 85 HB3 -0.54 0.00 0.07 -0.04 1.64 1.13 1ph1A1 LEU 85 HG -0.15 0.06 -0.03 -0.04 1.64 1.48 1ph1A1 LEU 85 HD13 -0.21 0.02 -0.06 -0.04 0.93 0.64 1ph1A1 LEU 85 HD23 -0.22 -0.02 -0.02 -0.04 0.89 0.60 1ph1A1 LYS 86 H -0.08 0.62 0.18 -0.55 8.42 8.59 1ph1A1 LYS 86 HA -0.10 0.09 0.53 -0.75 4.32 4.09 1ph1A1 LYS 86 HB2 -0.05 0.08 -0.04 -0.04 1.87 1.83 1ph1A1 LYS 86 HB3 -0.06 -0.09 0.10 -0.04 1.79 1.71 1ph1A1 LYS 86 HG2 -0.10 0.00 -0.02 -0.04 1.46 1.31 1ph1A1 LYS 86 HG3 -0.08 0.03 -0.33 -0.04 1.46 1.04 1ph1A1 LYS 86 HD2 -0.03 -0.06 -0.15 -0.04 1.69 1.41 1ph1A1 LYS 86 HD3 -0.05 -0.02 -0.04 -0.04 1.68 1.52 1ph1A1 LYS 86 HE2 -0.12 -0.00 -0.03 -0.04 2.99 2.80 1ph1A1 LYS 86 HE3 -0.14 0.10 -0.06 -0.04 2.99 2.85 1ph1A1 GLN 87 H -0.05 0.14 0.04 -0.55 8.47 8.05 1ph1A1 GLN 87 HA -0.05 0.19 0.51 -0.75 4.36 4.25 1ph1A1 GLN 87 HB2 -0.02 -0.01 0.20 -0.04 2.15 2.28 1ph1A1 GLN 87 HB3 -0.02 0.04 0.14 -0.04 2.02 2.14 1ph1A1 GLN 87 HG2 -0.05 -0.10 0.03 -0.04 2.40 2.23 1ph1A1 GLN 87 HG3 -0.03 0.01 0.06 -0.04 2.39 2.39 1ph1A1 GLN 87 HE21 -0.04 0.01 -0.04 -0.04 6.97 6.85 1ph1A1 GLN 87 HE22 -0.07 0.05 -0.22 -0.04 7.69 7.40 1ph1A1 ASP 93 H -0.06 0.67 -0.59 -0.55 8.40 7.88 1ph1A1 ASP 93 HA 0.02 0.03 0.26 -0.75 4.63 4.19 1ph1A1 ASP 93 HB2 0.01 0.28 0.52 -0.04 2.71 3.48 1ph1A1 ASP 93 HB3 0.00 -0.14 0.06 -0.04 2.70 2.58 1ph1A1 ALA 94 H -0.01 0.11 -0.08 -0.55 8.40 7.87 1ph1A1 ALA 94 HA 0.03 0.00 0.51 -0.75 4.34 4.13 1ph1A1 ALA 94 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 1ph1A1 SER 95 H 0.07 0.02 0.17 -0.55 8.46 8.18 1ph1A1 SER 95 HA 0.05 0.09 0.62 -0.75 4.49 4.49 1ph1A1 SER 95 HB2 0.25 0.20 0.15 -0.04 3.95 4.51 1ph1A1 SER 95 HB3 0.11 -0.12 0.23 -0.04 3.93 4.12 1ph1A1 ASP 96 H 0.02 0.20 -0.40 -0.55 8.40 7.68 1ph1A1 ASP 96 HA -0.18 0.17 0.66 -0.75 4.63 4.53 1ph1A1 ASP 96 HB2 -0.11 -0.04 -0.59 -0.04 2.71 1.93 1ph1A1 ASP 96 HB3 -0.08 -0.12 -0.36 -0.04 2.70 2.10 1ph1A1 TYR 97 H -0.40 0.26 0.13 -0.55 8.29 7.73 1ph1A1 TYR 97 HA 0.06 0.17 0.56 -0.75 4.56 4.59 1ph1A1 TYR 97 HB2 0.08 0.12 0.12 -0.04 3.06 3.33 1ph1A1 TYR 97 HB3 0.10 0.09 -0.25 -0.04 2.98 2.88 1ph1A1 TYR 97 HD2 0.07 0.08 -0.53 -0.04 7.15 6.73 1ph1A1 TYR 97 HE2 0.06 0.00 -0.13 -0.04 6.85 6.74 1ph1A1 ALA 98 H 0.22 0.60 0.39 -0.55 8.40 9.06 1ph1A1 ALA 98 HA 0.15 0.16 0.91 -0.75 4.34 4.81 1ph1A1 ALA 98 HB3 0.20 -0.00 0.06 -0.04 1.41 1.62 1ph1A1 THR 99 H 0.20 0.63 0.42 -0.55 8.28 8.98 1ph1A1 THR 99 HA 0.15 0.25 1.23 -0.75 4.39 5.27 1ph1A1 THR 99 HB 0.12 0.01 -0.00 -0.04 4.32 4.41 1ph1A1 THR 99 HG23 0.23 -0.00 -0.15 -0.04 1.22 1.26 1ph1A1 LEU 100 H 0.08 0.85 0.39 -0.55 8.37 9.14 1ph1A1 LEU 100 HA 0.20 0.30 1.07 -0.75 4.35 5.17 1ph1A1 LEU 100 HB2 0.12 -0.04 -0.18 -0.04 1.64 1.50 1ph1A1 LEU 100 HB3 0.05 -0.05 0.06 -0.04 1.64 1.66 1ph1A1 LEU 100 HG 0.04 0.00 -0.31 -0.04 1.64 1.33 1ph1A1 LEU 100 HD13 0.28 0.05 -0.13 -0.04 0.93 1.09 1ph1A1 LEU 100 HD23 0.09 -0.02 -0.19 -0.04 0.89 0.74 1ph1A1 VAL 101 H 0.10 0.76 0.34 -0.55 8.24 8.88 1ph1A1 VAL 101 HA -0.11 0.23 1.15 -0.75 4.13 4.65 1ph1A1 VAL 101 HB 0.05 -0.05 0.13 -0.04 2.12 2.21 1ph1A1 VAL 101 HG13 -0.45 -0.01 -0.13 -0.04 0.97 0.34 1ph1A1 VAL 101 HG23 -0.01 0.00 -0.17 -0.04 0.95 0.73 1ph1A1 LEU 102 H -0.22 0.69 0.34 -0.55 8.37 8.64 1ph1A1 LEU 102 HA -0.01 0.22 1.06 -0.75 4.35 4.87 1ph1A1 LEU 102 HB2 -0.20 -0.00 0.19 -0.04 1.64 1.58 1ph1A1 LEU 102 HB3 -0.07 0.03 0.02 -0.04 1.64 1.58 1ph1A1 LEU 102 HG -0.10 -0.02 -0.21 -0.04 1.64 1.26 1ph1A1 LEU 102 HD13 -0.41 0.00 -0.08 -0.04 0.93 0.40 1ph1A1 LEU 102 HD23 0.05 0.01 -0.12 -0.04 0.89 0.80 1ph1A1 TYR 103 H 0.20 0.58 0.47 -0.55 8.29 8.99 1ph1A1 TYR 103 HA 0.09 0.34 1.12 -0.75 4.56 5.36 1ph1A1 TYR 103 HB2 0.20 -0.11 0.16 -0.04 3.06 3.26 1ph1A1 TYR 103 HB3 0.36 0.02 0.07 -0.04 2.98 3.40 1ph1A1 TYR 103 HD2 0.06 0.02 -0.09 -0.04 7.15 7.11 1ph1A1 TYR 103 HE2 0.01 0.01 -0.09 -0.04 6.85 6.74 1ph1A1 ALA 104 H 0.30 0.59 0.41 -0.55 8.40 9.15 1ph1A1 ALA 104 HA 0.50 -0.04 0.70 -0.75 4.34 4.74 1ph1A1 ALA 104 HB3 0.16 0.02 -0.12 -0.04 1.41 1.43 1ph1A1 LYS 105 H 0.22 0.13 0.19 -0.55 8.42 8.41 1ph1A1 LYS 105 HA 0.15 0.36 0.87 -0.75 4.32 4.94 1ph1A1 LYS 105 HB2 0.12 -0.02 0.10 -0.04 1.87 2.03 1ph1A1 LYS 105 HB3 0.08 0.02 0.11 -0.04 1.79 1.95 1ph1A1 LYS 105 HG2 -0.15 0.17 0.10 -0.04 1.46 1.54 1ph1A1 LYS 105 HG3 -0.10 -0.11 -0.01 -0.04 1.46 1.19 1ph1A1 LYS 105 HD2 0.07 0.03 0.06 -0.04 1.69 1.81 1ph1A1 LYS 105 HD3 0.00 -0.01 0.06 -0.04 1.68 1.69 1ph1A1 LYS 105 HE2 -0.16 -0.01 0.03 -0.04 2.99 2.81 1ph1A1 LYS 105 HE3 -0.17 -0.01 0.00 -0.04 2.99 2.77 1ph1A1 ARG 106 H 0.09 0.06 0.04 -0.55 8.46 8.10 1ph1A1 ARG 106 HA -0.10 0.26 0.82 -0.75 4.34 4.56 1ph1A1 ARG 106 HB2 -0.02 -0.03 -0.01 -0.04 1.90 1.80 1ph1A1 ARG 106 HB3 -0.05 -0.05 0.03 -0.04 1.80 1.69 1ph1A1 ARG 106 HG2 0.05 0.14 -0.10 -0.04 1.67 1.72 1ph1A1 ARG 106 HG3 0.06 -0.08 -0.32 -0.04 1.67 1.29 1ph1A1 ARG 106 HD2 0.01 0.01 -0.02 -0.04 3.22 3.17 1ph1A1 ARG 106 HD3 0.03 0.05 -0.04 -0.04 3.22 3.22 1ph1A1 PHE 107 H -0.49 0.21 0.06 -0.55 8.34 7.57 1ph1A1 PHE 107 HA -0.69 0.12 0.27 -0.75 4.62 3.57 1ph1A1 PHE 107 HB2 -0.54 0.02 0.03 -0.04 3.15 2.61 1ph1A1 PHE 107 HB3 -0.26 -0.04 0.09 -0.04 3.06 2.80 1ph1A1 PHE 107 HD2 -0.02 -0.05 -0.16 -0.04 7.28 7.00 1ph1A1 PHE 107 HE2 0.05 0.15 -0.03 -0.04 7.38 7.51 1ph1A1 PHE 107 HZ 0.08 0.03 -0.01 -0.04 7.32 7.38 1ph1A1 GLU 108 H -0.04 0.03 -0.15 -0.55 8.60 7.89 1ph1A1 GLU 108 HA -0.16 0.15 0.32 -0.75 4.29 3.85 1ph1A1 GLU 108 HB2 -0.04 0.07 0.06 -0.04 2.09 2.14 1ph1A1 GLU 108 HB3 0.03 -0.01 0.06 -0.04 1.99 2.03 1ph1A1 GLU 108 HG2 -0.03 -0.17 -0.07 -0.04 2.34 2.03 1ph1A1 GLU 108 HG3 -0.05 0.06 -0.29 -0.04 2.34 2.02 1ph1A1 ASP 109 H -0.10 0.20 -0.72 -0.55 8.40 7.23 1ph1A1 ASP 109 HA 0.04 0.18 0.68 -0.75 4.63 4.78 1ph1A1 ASP 109 HB2 0.05 -0.01 0.01 -0.04 2.71 2.73 1ph1A1 ASP 109 HB3 0.10 0.01 0.12 -0.04 2.70 2.90 1ph1A1 LEU 110 H -0.18 0.43 -0.38 -0.55 8.37 7.69 1ph1A1 LEU 110 HA -0.12 0.16 0.83 -0.75 4.35 4.47 1ph1A1 LEU 110 HB2 -0.38 0.08 -0.06 -0.04 1.64 1.23 1ph1A1 LEU 110 HB3 -0.35 0.05 -0.13 -0.04 1.64 1.17 1ph1A1 LEU 110 HG -0.05 -0.09 -0.45 -0.04 1.64 1.01 1ph1A1 LEU 110 HD13 -0.07 0.02 -0.49 -0.04 0.93 0.35 1ph1A1 LEU 110 HD23 -0.06 0.03 -0.28 -0.04 0.89 0.54 1ph1A1 PRO 111 HA -0.74 0.05 0.44 -0.51 4.44 3.68 1ph1A1 PRO 111 HB2 -0.79 0.01 -0.22 -0.04 2.28 1.23 1ph1A1 PRO 111 HB3 -2.55 -0.01 -0.12 -0.04 2.02 -0.69 1ph1A1 PRO 111 HG2 -0.67 0.05 -0.02 -0.04 2.03 1.34 1ph1A1 PRO 111 HG3 -1.06 0.01 -0.08 -0.04 2.03 0.85 1ph1A1 PRO 111 HD2 -0.69 0.08 0.10 -0.04 3.68 3.13 1ph1A1 PRO 111 HD3 -1.97 0.14 0.06 -0.04 3.65 1.84 1ph1A1 ILE 112 H -0.32 0.14 0.10 -0.55 8.25 7.63 1ph1A1 ILE 112 HA -0.48 0.22 0.80 -0.75 4.18 3.97 1ph1A1 ILE 112 HB -0.25 -0.07 0.18 -0.04 1.89 1.70 1ph1A1 ILE 112 HG12 -0.84 0.07 -0.00 -0.04 1.49 0.69 1ph1A1 ILE 112 HG13 -0.48 0.06 -0.09 -0.04 1.21 0.66 1ph1A1 ILE 112 HG23 -0.49 -0.00 -0.14 -0.04 0.93 0.26 1ph1A1 ILE 112 HD13 -0.04 -0.00 0.02 -0.04 0.88 0.82 1ph1A1 ILE 113 H -0.22 0.35 -0.01 -0.55 8.25 7.82 1ph1A1 ILE 113 HA -0.08 0.03 0.73 -0.75 4.18 4.11 1ph1A1 ILE 113 HB -0.07 0.10 0.02 -0.04 1.89 1.90 1ph1A1 ILE 113 HG12 -0.22 0.08 -0.29 -0.04 1.49 1.02 1ph1A1 ILE 113 HG13 -0.12 0.01 -0.16 -0.04 1.21 0.90 1ph1A1 ILE 113 HG23 -0.02 -0.02 -0.28 -0.04 0.93 0.56 1ph1A1 ILE 113 HD13 -0.11 -0.00 -0.22 -0.04 0.88 0.51 1ph1A1 HIS 114 H -0.02 0.13 0.14 -0.55 8.41 8.11 1ph1A1 HIS 114 HA -0.07 0.30 0.71 -0.75 4.63 4.81 1ph1A1 HIS 114 HB2 -0.19 -0.11 0.10 -0.04 3.26 3.02 1ph1A1 HIS 114 HB3 -0.64 -0.01 0.06 -0.04 3.20 2.57 1ph1A1 HIS 114 HD2 -0.10 -0.11 0.00 -0.04 6.97 6.72 1ph1A1 HIS 114 HE1 0.23 0.45 0.19 -0.04 7.75 8.57 1ph1A1 ARG 115 H 0.03 0.08 -0.01 -0.55 8.46 8.01 1ph1A1 ARG 115 HA -0.03 0.25 0.92 -0.75 4.34 4.73 1ph1A1 ARG 115 HB2 0.02 -0.01 -0.27 -0.04 1.90 1.60 1ph1A1 ARG 115 HB3 -0.00 -0.12 -0.02 -0.04 1.80 1.61 1ph1A1 ARG 115 HG2 -0.05 0.09 -0.38 -0.04 1.67 1.28 1ph1A1 ARG 115 HG3 -0.01 0.05 -0.53 -0.04 1.67 1.13 1ph1A1 ARG 115 HD2 -0.01 0.06 -0.29 -0.04 3.22 2.93 1ph1A1 ARG 115 HD3 -0.00 0.02 -0.16 -0.04 3.22 3.03 1ph1A1 ALA 116 H -0.20 0.86 0.29 -0.55 8.40 8.80 1ph1A1 ALA 116 HA -0.02 0.13 0.62 -0.75 4.34 4.31 1ph1A1 ALA 116 HB3 -0.15 0.01 0.11 -0.04 1.41 1.34 1ph1A1 GLY 117 H 0.03 0.81 0.38 -0.55 8.43 9.11 1ph1A1 GLY 117 HA2 -0.44 0.02 0.41 -0.51 4.01 3.49 1ph1A1 GLY 117 HA3 -0.59 0.07 1.00 -0.51 4.01 3.98 1ph1A1 ASP 118 H 0.00 0.18 -0.10 -0.55 8.40 7.94 1ph1A1 ASP 118 HA 0.10 -0.03 0.64 -0.75 4.63 4.60 1ph1A1 ASP 118 HB2 0.15 0.06 0.10 -0.04 2.71 2.97 1ph1A1 ASP 118 HB3 0.28 0.16 0.19 -0.04 2.70 3.29 1ph1A1 ILE 119 H 0.22 0.69 0.40 -0.55 8.25 9.01 1ph1A1 ILE 119 HA 0.16 0.26 1.19 -0.75 4.18 5.04 1ph1A1 ILE 119 HB 0.24 -0.02 0.09 -0.04 1.89 2.15 1ph1A1 ILE 119 HG12 0.17 0.04 -0.15 -0.04 1.49 1.52 1ph1A1 ILE 119 HG13 0.16 -0.04 -0.20 -0.04 1.21 1.09 1ph1A1 ILE 119 HG23 0.20 0.01 -0.10 -0.04 0.93 1.00 1ph1A1 ILE 119 HD13 0.11 -0.00 -0.18 -0.04 0.88 0.76 1ph1A1 ILE 120 H 0.12 0.65 0.41 -0.55 8.25 8.89 1ph1A1 ILE 120 HA 0.09 0.32 1.15 -0.75 4.18 4.98 1ph1A1 ILE 120 HB 0.01 -0.02 -0.14 -0.04 1.89 1.70 1ph1A1 ILE 120 HG12 0.01 0.01 -0.29 -0.04 1.49 1.19 1ph1A1 ILE 120 HG13 0.07 0.05 -0.00 -0.04 1.21 1.29 1ph1A1 ILE 120 HG23 0.10 -0.00 -0.15 -0.04 0.93 0.84 1ph1A1 ILE 120 HD13 -0.11 -0.01 -0.15 -0.04 0.88 0.56 1ph1A1 ARG 121 H -0.03 0.62 0.39 -0.55 8.46 8.89 1ph1A1 ARG 121 HA -0.51 0.25 1.08 -0.75 4.34 4.41 1ph1A1 ARG 121 HB2 -1.06 -0.04 -0.02 -0.04 1.90 0.74 1ph1A1 ARG 121 HB3 -0.27 -0.02 0.13 -0.04 1.80 1.60 1ph1A1 ARG 121 HG2 -0.51 0.06 -0.24 -0.04 1.67 0.94 1ph1A1 ARG 121 HG3 -1.34 -0.03 -0.07 -0.04 1.67 0.18 1ph1A1 ARG 121 HD2 -0.25 -0.04 -0.10 -0.04 3.22 2.79 1ph1A1 ARG 121 HD3 -0.47 -0.02 -0.09 -0.04 3.22 2.60 1ph1A1 VAL 122 H -0.55 0.58 0.33 -0.55 8.24 8.05 1ph1A1 VAL 122 HA -0.20 0.34 1.20 -0.75 4.13 4.72 1ph1A1 VAL 122 HB -1.30 -0.05 0.02 -0.04 2.12 0.74 1ph1A1 VAL 122 HG13 -0.10 0.01 -0.28 -0.04 0.97 0.56 1ph1A1 VAL 122 HG23 -0.07 -0.02 -0.23 -0.04 0.95 0.59 1ph1A1 HIS 123 H -0.04 0.72 0.36 -0.55 8.41 8.90 1ph1A1 HIS 123 HA 0.12 0.08 0.98 -0.75 4.63 5.05 1ph1A1 HIS 123 HB2 -0.12 -0.02 0.14 -0.04 3.26 3.22 1ph1A1 HIS 123 HB3 -0.04 0.07 -0.00 -0.04 3.20 3.18 1ph1A1 HIS 123 HD2 -0.13 0.09 -0.18 -0.04 6.97 6.70 1ph1A1 HIS 123 HE1 -0.77 0.02 -0.05 -0.04 7.75 6.91 1ph1A1 ARG 124 H 0.81 0.12 -0.00 -0.55 8.46 8.83 1ph1A1 ARG 124 HA 0.14 -0.01 0.31 -0.75 4.34 4.03 1ph1A1 ARG 124 HB2 0.11 0.15 -0.05 -0.04 1.90 2.07 1ph1A1 ARG 124 HB3 0.10 -0.04 0.12 -0.04 1.80 1.94 1ph1A1 ARG 124 HG2 0.26 0.00 -0.02 -0.04 1.67 1.88 1ph1A1 ARG 124 HG3 0.17 -0.02 -0.18 -0.04 1.67 1.60 1ph1A1 ARG 124 HD2 0.01 -0.03 -0.13 -0.04 3.22 3.03 1ph1A1 ARG 124 HD3 0.06 -0.02 -0.01 -0.04 3.22 3.19 1ph1A1 ALA 125 H 0.12 0.59 0.24 -0.55 8.40 8.80 1ph1A1 ALA 125 HA 0.16 0.26 0.97 -0.75 4.34 4.97 1ph1A1 ALA 125 HB3 0.34 -0.02 -0.13 -0.04 1.41 1.55 1ph1A1 THR 126 H 0.15 0.65 0.38 -0.55 8.28 8.91 1ph1A1 THR 126 HA 0.07 0.25 0.83 -0.75 4.39 4.79 1ph1A1 THR 126 HB 0.03 0.07 -0.01 -0.04 4.32 4.37 1ph1A1 THR 126 HG23 0.05 0.01 -0.15 -0.04 1.22 1.09 1ph1A1 LEU 127 H -0.01 0.29 0.11 -0.55 8.37 8.22 1ph1A1 LEU 127 HA -0.25 0.27 1.05 -0.75 4.35 4.67 1ph1A1 LEU 127 HB2 -0.55 -0.08 -0.16 -0.04 1.64 0.81 1ph1A1 LEU 127 HB3 -0.15 0.17 0.02 -0.04 1.64 1.64 1ph1A1 LEU 127 HG -0.27 -0.03 -0.42 -0.04 1.64 0.88 1ph1A1 LEU 127 HD13 -1.17 0.01 -0.23 -0.04 0.93 -0.49 1ph1A1 LEU 127 HD23 -0.21 0.02 -0.42 -0.04 0.89 0.23 1ph1A1 ARG 128 H -0.15 0.62 0.35 -0.55 8.46 8.73 1ph1A1 ARG 128 HA -0.05 0.16 0.68 -0.75 4.34 4.38 1ph1A1 ARG 128 HB2 0.00 -0.02 0.10 -0.04 1.90 1.95 1ph1A1 ARG 128 HB3 -0.01 0.04 -0.21 -0.04 1.80 1.57 1ph1A1 ARG 128 HG2 0.00 0.04 -0.07 -0.04 1.67 1.60 1ph1A1 ARG 128 HG3 0.05 0.01 -0.51 -0.04 1.67 1.18 1ph1A1 ARG 128 HD2 0.01 -0.01 -0.10 -0.04 3.22 3.08 1ph1A1 ARG 128 HD3 0.03 -0.05 -0.11 -0.04 3.22 3.05 1ph1A1 LEU 129 H -0.01 0.16 0.15 -0.55 8.37 8.12 1ph1A1 LEU 129 HA -0.00 0.25 0.63 -0.75 4.35 4.47 1ph1A1 LEU 129 HB2 -0.02 0.01 0.13 -0.04 1.64 1.72 1ph1A1 LEU 129 HB3 -0.00 -0.06 -0.00 -0.04 1.64 1.53 1ph1A1 LEU 129 HG -0.02 -0.09 -0.20 -0.04 1.64 1.28 1ph1A1 LEU 129 HD13 -0.04 0.04 -0.24 -0.04 0.93 0.65 1ph1A1 LEU 129 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.78 1ph1A1 TYR 130 H 0.10 0.74 0.20 -0.55 8.29 8.78 1ph1A1 TYR 130 HA 0.00 0.13 0.87 -0.75 4.56 4.81 1ph1A1 TYR 130 HB2 0.02 0.05 -0.12 -0.04 3.06 2.96 1ph1A1 TYR 130 HB3 0.02 0.01 0.10 -0.04 2.98 3.07 1ph1A1 TYR 130 HD2 0.03 0.02 -0.04 -0.04 7.15 7.12 1ph1A1 TYR 130 HE2 0.03 -0.00 -0.06 -0.04 6.85 6.78 1ph1A1 ASN 131 H -0.21 0.19 0.03 -0.55 8.53 8.00 1ph1A1 ASN 131 HA -0.16 0.04 0.32 -0.75 4.76 4.19 1ph1A1 ASN 131 HB2 -0.37 0.13 -0.07 -0.04 2.88 2.54 1ph1A1 ASN 131 HB3 -0.19 0.02 0.18 -0.04 2.79 2.77 1ph1A1 ASN 131 HD21 -0.55 0.01 -0.05 -0.04 7.03 6.40 1ph1A1 ASN 131 HD22 -0.75 0.03 -0.10 -0.04 7.74 6.88 1ph1A1 GLY 132 H -0.06 0.05 -0.22 -0.55 8.43 7.65 1ph1A1 GLY 132 HA2 -0.04 -0.01 0.26 -0.51 4.01 3.71 1ph1A1 GLY 132 HA3 -0.05 0.14 0.44 -0.51 4.01 4.02 1ph1A1 GLN 133 H -0.01 0.44 -0.57 -0.55 8.47 7.78 1ph1A1 GLN 133 HA -0.03 0.20 0.97 -0.75 4.36 4.76 1ph1A1 GLN 133 HB2 0.08 0.11 0.03 -0.04 2.15 2.33 1ph1A1 GLN 133 HB3 0.06 0.02 -0.03 -0.04 2.02 2.03 1ph1A1 GLN 133 HG2 -0.07 0.01 -0.13 -0.04 2.40 2.17 1ph1A1 GLN 133 HG3 -0.01 0.05 -0.06 -0.04 2.39 2.34 1ph1A1 GLN 133 HE21 -1.01 -0.04 -0.02 -0.04 6.97 5.86 1ph1A1 GLN 133 HE22 -0.29 -0.03 -0.00 -0.04 7.69 7.32 1ph1A1 ARG 134 H -0.00 0.20 0.18 -0.55 8.46 8.28 1ph1A1 ARG 134 HA -0.08 0.11 0.60 -0.75 4.34 4.21 1ph1A1 ARG 134 HB2 0.02 -0.05 0.17 -0.04 1.90 1.99 1ph1A1 ARG 134 HB3 -0.18 0.06 -0.04 -0.04 1.80 1.60 1ph1A1 ARG 134 HG2 -0.07 0.03 -0.08 -0.04 1.67 1.50 1ph1A1 ARG 134 HG3 -0.04 -0.04 -0.02 -0.04 1.67 1.52 1ph1A1 ARG 134 HD2 -0.02 0.00 -0.01 -0.04 3.22 3.15 1ph1A1 ARG 134 HD3 0.01 -0.06 -0.04 -0.04 3.22 3.09 1ph1A1 GLN 135 H -0.08 0.64 0.36 -0.55 8.47 8.84 1ph1A1 GLN 135 HA 0.10 0.15 1.02 -0.75 4.36 4.88 1ph1A1 GLN 135 HB2 0.12 -0.03 -0.07 -0.04 2.15 2.13 1ph1A1 GLN 135 HB3 0.05 0.09 0.13 -0.04 2.02 2.25 1ph1A1 GLN 135 HG2 0.05 0.04 -0.42 -0.04 2.40 2.04 1ph1A1 GLN 135 HG3 0.05 -0.04 -0.15 -0.04 2.39 2.21 1ph1A1 GLN 135 HE21 -0.83 -0.02 -0.09 -0.04 6.97 5.98 1ph1A1 GLN 135 HE22 -0.19 0.00 -0.11 -0.04 7.69 7.35 1ph1A1 PHE 136 H 0.34 0.82 0.38 -0.55 8.34 9.33 1ph1A1 PHE 136 HA 0.10 0.26 0.90 -0.75 4.62 5.12 1ph1A1 PHE 136 HB2 0.15 -0.02 0.14 -0.04 3.15 3.38 1ph1A1 PHE 136 HB3 0.28 -0.01 -0.11 -0.04 3.06 3.18 1ph1A1 PHE 136 HD2 0.11 0.07 -0.18 -0.04 7.28 7.23 1ph1A1 PHE 136 HE2 -0.03 -0.02 -0.16 -0.04 7.38 7.13 1ph1A1 PHE 136 HZ -0.11 0.08 -0.09 -0.04 7.32 7.15 1ph1A1 ASN 137 H 0.17 0.77 0.39 -0.55 8.53 9.32 1ph1A1 ASN 137 HA 0.20 0.25 1.06 -0.75 4.76 5.52 1ph1A1 ASN 137 HB2 0.11 0.03 0.14 -0.04 2.88 3.11 1ph1A1 ASN 137 HB3 0.20 -0.04 0.02 -0.04 2.79 2.93 1ph1A1 ASN 137 HD21 0.02 -0.02 -0.15 -0.04 7.03 6.84 1ph1A1 ASN 137 HD22 0.04 0.06 -0.07 -0.04 7.74 7.73 1ph1A1 ALA 138 H 0.21 0.58 0.35 -0.55 8.40 9.00 1ph1A1 ALA 138 HA 0.11 0.18 0.95 -0.75 4.34 4.82 1ph1A1 ALA 138 HB3 0.12 0.01 -0.07 -0.04 1.41 1.42 1ph1A1 ASN 139 H 0.00 0.25 0.18 -0.55 8.53 8.42 1ph1A1 ASN 139 HA -0.06 0.13 0.95 -0.75 4.76 5.03 1ph1A1 ASN 139 HB2 -0.28 0.00 0.26 -0.04 2.88 2.83 1ph1A1 ASN 139 HB3 -1.43 -0.04 0.08 -0.04 2.79 1.35 1ph1A1 ASN 139 HD21 -0.07 0.04 -0.02 -0.04 7.03 6.94 1ph1A1 ASN 139 HD22 -0.16 0.01 0.03 -0.04 7.74 7.57 1ph1A1 VAL 140 H 0.07 0.63 0.37 -0.55 8.24 8.76 1ph1A1 VAL 140 HA 0.03 0.29 0.45 -0.75 4.13 4.15 1ph1A1 VAL 140 HB 0.17 -0.01 0.16 -0.04 2.12 2.40 1ph1A1 VAL 140 HG13 0.11 0.06 0.06 -0.04 0.97 1.16 1ph1A1 VAL 140 HG23 0.23 0.02 -0.02 -0.04 0.95 1.14 1ph1A1 PHE 141 H 0.03 0.15 -0.06 -0.55 8.34 7.92 1ph1A1 PHE 141 HA 0.08 0.08 0.44 -0.75 4.62 4.47 1ph1A1 PHE 141 HB2 0.09 0.06 0.12 -0.04 3.15 3.37 1ph1A1 PHE 141 HB3 0.11 -0.23 0.11 -0.04 3.06 3.01 1ph1A1 PHE 141 HD2 0.13 0.01 -0.36 -0.04 7.28 7.02 1ph1A1 PHE 141 HE2 0.04 0.00 -0.08 -0.04 7.38 7.30 1ph1A1 PHE 141 HZ -0.04 0.02 -0.05 -0.04 7.32 7.21 1ph1A1 TYR 142 H -0.25 0.18 -0.70 -0.55 8.29 6.98 1ph1A1 TYR 142 HA 0.04 0.23 1.05 -0.75 4.56 5.13 1ph1A1 TYR 142 HB2 -0.20 -0.05 -0.00 -0.04 3.06 2.77 1ph1A1 TYR 142 HB3 -0.26 -0.07 0.24 -0.04 2.98 2.84 1ph1A1 TYR 142 HD2 -0.01 -0.00 0.06 -0.04 7.15 7.16 1ph1A1 TYR 142 HE2 0.01 -0.00 -0.01 -0.04 6.85 6.81 1ph1A1 SER 143 H -0.11 0.06 0.25 -0.55 8.46 8.11 1ph1A1 SER 143 HA -0.26 0.27 0.97 -0.75 4.49 4.71 1ph1A1 SER 143 HB2 -0.27 -0.01 0.14 -0.04 3.95 3.77 1ph1A1 SER 143 HB3 -1.00 -0.01 -0.10 -0.04 3.93 2.78 1ph1A1 SER 144 H -0.05 0.24 0.24 -0.55 8.46 8.34 1ph1A1 SER 144 HA 0.04 0.22 0.74 -0.75 4.49 4.73 1ph1A1 SER 144 HB2 0.03 -0.16 -0.48 -0.04 3.95 3.29 1ph1A1 SER 144 HB3 0.07 0.06 0.01 -0.04 3.93 4.03 1ph1A1 SER 145 H 0.03 0.37 0.35 -0.55 8.46 8.66 1ph1A1 SER 145 HA -0.10 0.14 0.71 -0.75 4.49 4.48 1ph1A1 SER 145 HB2 -0.27 0.06 0.12 -0.04 3.95 3.82 1ph1A1 SER 145 HB3 -0.12 0.11 -0.17 -0.04 3.93 3.72 1ph1A1 TRP 146 H -0.67 0.22 0.29 -0.55 7.97 7.26 1ph1A1 TRP 146 HA -0.23 0.40 1.06 -0.75 4.62 5.10 1ph1A1 TRP 146 HB2 -0.15 -0.02 0.02 -0.04 3.23 3.04 1ph1A1 TRP 146 HB3 -0.13 0.01 -0.08 -0.04 3.23 2.99 1ph1A1 TRP 146 HD1 -0.09 -0.02 -0.11 -0.04 7.22 6.96 1ph1A1 TRP 146 HE1 -0.12 0.65 0.07 -0.04 10.20 10.76 1ph1A1 TRP 146 HE3 -0.18 0.01 -0.50 -0.04 7.59 6.88 1ph1A1 TRP 146 HZ2 -0.20 0.11 -0.76 -0.04 7.44 6.55 1ph1A1 TRP 146 HZ3 -0.24 -0.03 -0.48 -0.04 7.13 6.33 1ph1A1 TRP 146 HH2 -0.22 0.05 -0.32 -0.04 7.19 6.66 1ph1A1 ALA 147 H 0.09 0.42 0.38 -0.55 8.40 8.74 1ph1A1 ALA 147 HA -0.14 0.18 0.94 -0.75 4.34 4.57 1ph1A1 ALA 147 HB3 -0.24 0.00 -0.00 -0.04 1.41 1.13 1ph1A1 LEU 148 H -0.22 0.84 0.39 -0.55 8.37 8.84 1ph1A1 LEU 148 HA -0.08 0.33 1.21 -0.75 4.35 5.05 1ph1A1 LEU 148 HB2 -0.93 -0.06 0.14 -0.04 1.64 0.76 1ph1A1 LEU 148 HB3 -0.87 -0.02 0.01 -0.04 1.64 0.73 1ph1A1 LEU 148 HG 0.10 -0.03 -0.20 -0.04 1.64 1.46 1ph1A1 LEU 148 HD13 -0.14 -0.02 -0.12 -0.04 0.93 0.60 1ph1A1 LEU 148 HD23 -0.09 0.02 -0.08 -0.04 0.89 0.70 1ph1A1 PHE 149 H 0.17 0.78 0.37 -0.55 8.34 9.11 1ph1A1 PHE 149 HA 0.07 0.13 1.03 -0.75 4.62 5.10 1ph1A1 PHE 149 HB2 0.09 -0.07 -0.01 -0.04 3.15 3.13 1ph1A1 PHE 149 HB3 0.10 0.14 -0.10 -0.04 3.06 3.16 1ph1A1 PHE 149 HD2 -0.00 0.07 -0.34 -0.04 7.28 6.97 1ph1A1 PHE 149 HE2 -0.11 0.10 -0.27 -0.04 7.38 7.05 1ph1A1 PHE 149 HZ -0.08 -0.01 -0.17 -0.04 7.32 7.01 1ph1A1 SER 150 H 0.41 0.24 0.13 -0.55 8.46 8.69 1ph1A1 SER 150 HA 0.29 -0.08 0.58 -0.75 4.49 4.53 1ph1A1 SER 150 HB2 0.11 -0.16 -0.04 -0.04 3.95 3.81 1ph1A1 SER 150 HB3 0.17 0.12 0.02 -0.04 3.93 4.20 1ph1A1 THR 151 H 0.11 0.01 0.21 -0.55 8.28 8.06 1ph1A1 THR 151 HA 0.09 0.13 0.57 -0.75 4.39 4.43 1ph1A1 THR 151 HB 0.00 -0.13 0.00 -0.04 4.32 4.16 1ph1A1 THR 151 HG23 0.02 -0.01 -0.06 -0.04 1.22 1.13 1ph1A1 ASP 152 H 0.02 -0.07 -0.01 -0.55 8.40 7.79 1ph1A1 ASP 152 HA 0.01 0.13 0.60 -0.75 4.63 4.62 1ph1A1 ASP 152 HB2 -0.01 0.10 0.08 -0.04 2.71 2.84 1ph1A1 ASP 152 HB3 -0.00 -0.04 0.13 -0.04 2.70 2.74 1ph1A1 LYS 153 H 0.01 0.09 0.11 -0.55 8.42 8.07 1ph1A1 LYS 153 HA 0.03 0.09 0.31 -0.75 4.32 3.99 1ph1A1 LYS 153 HB2 0.00 -0.05 0.12 -0.04 1.87 1.91 1ph1A1 LYS 153 HB3 0.01 0.02 0.00 -0.04 1.79 1.78 1ph1A1 LYS 153 HG2 0.02 0.03 0.04 -0.04 1.46 1.51 1ph1A1 LYS 153 HG3 0.01 -0.04 0.10 -0.04 1.46 1.49 1ph1A1 LYS 153 HD2 0.00 0.00 0.03 -0.04 1.69 1.69 1ph1A1 LYS 153 HD3 0.01 0.02 0.01 -0.04 1.68 1.67 1ph1A1 LYS 153 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 1ph1A1 LYS 153 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 1ph1A1 ARG 154 H -0.01 0.04 -0.14 -0.55 8.46 7.81 1ph1A1 ARG 154 HA -0.01 0.18 0.83 -0.75 4.34 4.58 1ph1A1 ARG 154 HB2 -0.03 -0.01 -0.08 -0.04 1.90 1.74 1ph1A1 ARG 154 HB3 -0.04 -0.04 -0.05 -0.04 1.80 1.64 1ph1A1 ARG 154 HG2 -0.00 0.02 -0.06 -0.04 1.67 1.58 1ph1A1 ARG 154 HG3 -0.00 -0.14 -0.19 -0.04 1.67 1.29 1ph1A1 ARG 154 HD2 -0.01 -0.06 -0.08 -0.04 3.22 3.03 1ph1A1 ARG 154 HD3 -0.01 0.07 -0.21 -0.04 3.22 3.03 1ph1A1 SER 155 H -0.11 0.11 0.09 -0.55 8.46 8.00 1ph1A1 SER 155 HA -0.31 0.14 0.61 -0.75 4.49 4.17 1ph1A1 SER 155 HB2 -1.28 -0.02 0.13 -0.04 3.95 2.75 1ph1A1 SER 155 HB3 -0.60 0.10 0.08 -0.04 3.93 3.47 1ph1A1 VAL 156 H -0.32 0.16 0.12 -0.55 8.24 7.66 1ph1A1 VAL 156 HA -0.08 0.15 0.32 -0.75 4.13 3.78 1ph1A1 VAL 156 HB -0.08 -0.05 0.12 -0.04 2.12 2.07 1ph1A1 VAL 156 HG13 -0.13 0.05 -0.14 -0.04 0.97 0.70 1ph1A1 VAL 156 HG23 -0.04 0.01 -0.04 -0.04 0.95 0.84 1ph1A1 THR 157 H -0.15 0.08 -0.10 -0.55 8.28 7.56 1ph1A1 THR 157 HA -0.03 0.14 0.33 -0.75 4.39 4.07 1ph1A1 THR 157 HB -0.05 -0.03 0.02 -0.04 4.32 4.22 1ph1A1 THR 157 HG23 0.01 0.03 -0.06 -0.04 1.22 1.17 1ph1A1 GLN 158 H -0.11 -0.03 -0.43 -0.55 8.47 7.36 1ph1A1 GLN 158 HA -0.02 0.10 0.39 -0.75 4.36 4.08 1ph1A1 GLN 158 HB2 -0.07 -0.21 0.10 -0.04 2.15 1.92 1ph1A1 GLN 158 HB3 -0.03 0.26 -0.07 -0.04 2.02 2.15 1ph1A1 GLN 158 HG2 -0.01 0.11 -0.13 -0.04 2.40 2.34 1ph1A1 GLN 158 HG3 -0.03 -0.06 -0.06 -0.04 2.39 2.20 1ph1A1 GLN 158 HE21 0.06 -0.01 0.02 -0.04 6.97 7.00 1ph1A1 GLN 158 HE22 0.04 0.08 -0.01 -0.04 7.69 7.76 1ph1A1 GLU 159 H -0.06 0.44 -0.28 -0.55 8.60 8.15 1ph1A1 GLU 159 HA -0.02 0.04 0.47 -0.75 4.29 4.03 1ph1A1 GLU 159 HB2 -0.03 0.14 0.15 -0.04 2.09 2.31 1ph1A1 GLU 159 HB3 -0.01 0.02 -0.02 -0.04 1.99 1.93 1ph1A1 GLU 159 HG2 -0.02 -0.02 -0.03 -0.04 2.34 2.22 1ph1A1 GLU 159 HG3 -0.04 0.02 -0.16 -0.04 2.34 2.11 1ph1A1 ILE 160 H -0.03 0.39 -0.10 -0.55 8.25 7.96 1ph1A1 ILE 160 HA -0.00 0.09 0.39 -0.75 4.18 3.90 1ph1A1 ILE 160 HB -0.01 0.02 0.08 -0.04 1.89 1.94 1ph1A1 ILE 160 HG12 0.00 0.07 -0.02 -0.04 1.49 1.51 1ph1A1 ILE 160 HG13 -0.02 0.09 0.01 -0.04 1.21 1.25 1ph1A1 ILE 160 HG23 0.00 -0.00 -0.10 -0.04 0.93 0.79 1ph1A1 ILE 160 HD13 -0.02 -0.04 -0.23 -0.04 0.88 0.54 1ph1A1 ASN 161 H -0.01 0.32 -0.29 -0.55 8.53 8.00 1ph1A1 ASN 161 HA -0.00 0.17 0.75 -0.75 4.76 4.92 1ph1A1 ASN 161 HB2 -0.00 -0.00 0.02 -0.04 2.88 2.85 1ph1A1 ASN 161 HB3 0.00 -0.04 0.10 -0.04 2.79 2.81 1ph1A1 ASN 161 HD21 0.01 -0.07 -0.02 -0.04 7.03 6.90 1ph1A1 ASN 161 HD22 0.00 0.01 -0.04 -0.04 7.74 7.67 1ph1A1 ASN 162 H -0.01 0.22 -0.53 -0.55 8.53 7.67 1ph1A1 ASN 162 HA -0.01 0.03 0.35 -0.75 4.76 4.38 1ph1A1 ASN 162 HB2 -0.00 0.04 -0.09 -0.04 2.88 2.79 1ph1A1 ASN 162 HB3 -0.00 0.08 0.04 -0.04 2.79 2.87 1ph1A1 ASN 162 HD21 -0.00 -0.06 0.02 -0.04 7.03 6.95 1ph1A1 ASN 162 HD22 -0.00 0.01 0.07 -0.04 7.74 7.78 1ph1A1 GLN 163 H -0.01 0.51 0.10 -0.55 8.47 8.52 1ph1A1 GLN 163 HA 0.00 0.18 0.86 -0.75 4.36 4.65 1ph1A1 GLN 163 HB2 -0.00 -0.14 -0.05 -0.04 2.15 1.92 1ph1A1 GLN 163 HB3 0.01 0.02 0.06 -0.04 2.02 2.07 1ph1A1 GLN 163 HG2 0.00 0.04 -0.08 -0.04 2.40 2.32 1ph1A1 GLN 163 HG3 -0.00 0.06 -0.40 -0.04 2.39 2.00 1ph1A1 GLN 163 HE21 0.01 -0.04 -0.04 -0.04 6.97 6.86 1ph1A1 GLN 163 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 1ph1A1 ASP 164 H 0.01 0.14 0.12 -0.55 8.40 8.12 1ph1A1 ASP 164 HA 0.01 0.13 0.71 -0.75 4.63 4.72 1ph1A1 ASP 164 HB2 0.01 -0.01 0.04 -0.04 2.71 2.70 1ph1A1 ASP 164 HB3 0.01 0.08 0.00 -0.04 2.70 2.76 1ph1A1 ALA 165 H 0.02 0.15 0.08 -0.55 8.40 8.10 1ph1A1 ALA 165 HA 0.03 0.07 0.63 -0.75 4.34 4.31 1ph1A1 ALA 165 HB3 0.04 0.02 0.09 -0.04 1.41 1.52 1ph1A1 VAL 166 H 0.04 0.14 0.15 -0.55 8.24 8.02 1ph1A1 VAL 166 HA 0.02 0.07 0.33 -0.75 4.13 3.80 1ph1A1 VAL 166 HB 0.04 -0.05 0.09 -0.04 2.12 2.16 1ph1A1 VAL 166 HG13 0.02 -0.00 -0.05 -0.04 0.97 0.91 1ph1A1 VAL 166 HG23 0.03 0.01 0.08 -0.04 0.95 1.04 1ph1A1 SER 167 H 0.05 0.23 -0.07 -0.55 8.46 8.12 1ph1A1 SER 167 HA 0.04 0.19 0.38 -0.75 4.49 4.34 1ph1A1 SER 167 HB2 0.03 -0.02 0.15 -0.04 3.95 4.07 1ph1A1 SER 167 HB3 0.03 0.21 -0.22 -0.04 3.93 3.91 1ph1A1 ASP 168 H 0.05 0.20 0.12 -0.55 8.40 8.21 1ph1A1 ASP 168 HA 0.09 0.22 0.52 -0.75 4.63 4.71 1ph1A1 ASP 168 HB2 0.04 -0.02 0.04 -0.04 2.71 2.73 1ph1A1 ASP 168 HB3 0.05 0.07 0.13 -0.04 2.70 2.92 1ph1A1 THR 169 H 0.08 -0.02 -0.48 -0.55 8.28 7.31 1ph1A1 THR 169 HA 0.15 0.25 0.85 -0.75 4.39 4.88 1ph1A1 THR 169 HB 0.04 -0.02 -0.08 -0.04 4.32 4.21 1ph1A1 THR 169 HG23 0.05 -0.01 -0.16 -0.04 1.22 1.06 1ph1A1 THR 170 H 0.12 0.24 -0.27 -0.55 8.28 7.83 1ph1A1 THR 170 HA 0.03 0.20 0.70 -0.75 4.39 4.56 1ph1A1 THR 170 HB 0.06 -0.01 0.10 -0.04 4.32 4.42 1ph1A1 THR 170 HG23 0.02 0.04 -0.14 -0.04 1.22 1.10 1ph1A1 PRO 171 HA -0.87 0.18 0.63 -0.51 4.44 3.87 1ph1A1 PRO 171 HB2 -0.25 -0.01 -0.06 -0.04 2.28 1.92 1ph1A1 PRO 171 HB3 -0.89 0.00 0.02 -0.04 2.02 1.12 1ph1A1 PRO 171 HG2 -0.48 0.02 -0.04 -0.04 2.03 1.49 1ph1A1 PRO 171 HG3 -0.58 0.04 -0.09 -0.04 2.03 1.36 1ph1A1 PRO 171 HD2 -0.19 0.09 0.16 -0.04 3.68 3.70 1ph1A1 PRO 171 HD3 -0.10 0.20 0.25 -0.04 3.65 3.96 1ph1A1 PHE 172 H -0.32 0.33 0.30 -0.55 8.34 8.10 1ph1A1 PHE 172 HA -0.01 0.17 0.68 -0.75 4.62 4.71 1ph1A1 PHE 172 HB2 0.00 -0.05 0.14 -0.04 3.15 3.21 1ph1A1 PHE 172 HB3 -0.01 -0.00 0.09 -0.04 3.06 3.11 1ph1A1 PHE 172 HD2 0.01 0.01 -0.16 -0.04 7.28 7.10 1ph1A1 PHE 172 HE2 0.02 0.05 -0.25 -0.04 7.38 7.16 1ph1A1 PHE 172 HZ 0.01 0.02 -0.04 -0.04 7.32 7.26 1ph1A1 SER 173 H -0.33 0.25 -0.06 -0.55 8.46 7.77 1ph1A1 SER 173 HA -0.13 0.16 0.50 -0.75 4.49 4.27 1ph1A1 SER 173 HB2 0.18 0.08 -0.15 -0.04 3.95 4.02 1ph1A1 SER 173 HB3 -0.07 -0.12 -0.04 -0.04 3.93 3.66 1ph1A1 PHE 174 H -0.63 0.38 0.15 -0.55 8.34 7.68 1ph1A1 PHE 174 HA -1.18 0.04 0.56 -0.75 4.62 3.29 1ph1A1 PHE 174 HB2 -0.54 0.16 0.19 -0.04 3.15 2.91 1ph1A1 PHE 174 HB3 -0.44 -0.06 -0.05 -0.04 3.06 2.47 1ph1A1 PHE 174 HD2 -0.32 0.13 -0.47 -0.04 7.28 6.59 1ph1A1 PHE 174 HE2 -0.18 0.03 -0.41 -0.04 7.38 6.77 1ph1A1 PHE 174 HZ -0.14 0.01 -0.10 -0.04 7.32 7.04 1ph1A1 SER 175 H -1.36 0.43 0.31 -0.55 8.46 7.29 1ph1A1 SER 175 HA -0.64 0.15 0.79 -0.75 4.49 4.03 1ph1A1 SER 175 HB2 -0.38 0.00 0.16 -0.04 3.95 3.70 1ph1A1 SER 175 HB3 -1.47 0.04 0.10 -0.04 3.93 2.56 1ph1A1 SER 176 H -0.22 0.05 0.15 -0.55 8.46 7.89 1ph1A1 SER 176 HA -0.10 -0.01 0.35 -0.75 4.49 3.97 1ph1A1 SER 176 HB2 -0.05 -0.11 0.19 -0.04 3.95 3.94 1ph1A1 SER 176 HB3 -0.11 0.02 -0.15 -0.04 3.93 3.65 1ph1A1 LYS 177 H -0.06 0.09 0.15 -0.55 8.42 8.04 1ph1A1 LYS 177 HA -0.18 0.14 0.50 -0.75 4.32 4.03 1ph1A1 LYS 177 HB2 -0.21 -0.01 0.06 -0.04 1.87 1.67 1ph1A1 LYS 177 HB3 -0.39 0.01 0.09 -0.04 1.79 1.46 1ph1A1 LYS 177 HG2 -0.06 -0.04 0.08 -0.04 1.46 1.40 1ph1A1 LYS 177 HG3 -0.05 0.01 0.03 -0.04 1.46 1.41 1ph1A1 LYS 177 HD2 -0.11 0.02 0.00 -0.04 1.69 1.56 1ph1A1 LYS 177 HD3 -0.12 0.01 -0.18 -0.04 1.68 1.35 1ph1A1 LYS 177 HE2 -0.05 -0.02 -0.02 -0.04 2.99 2.86 1ph1A1 LYS 177 HE3 -0.04 0.00 -0.01 -0.04 2.99 2.91 1ph1A1 HIS 178 H 0.02 0.12 -0.11 -0.55 8.41 7.89 1ph1A1 HIS 178 HA 0.01 0.22 0.84 -0.75 4.63 4.95 1ph1A1 HIS 178 HB2 -0.06 -0.03 -0.10 -0.04 3.26 3.04 1ph1A1 HIS 178 HB3 -0.09 -0.02 -0.02 -0.04 3.20 3.03 1ph1A1 HIS 178 HD2 -0.02 -0.04 -0.10 -0.04 6.97 6.77 1ph1A1 HIS 178 HE1 -0.00 -0.01 -0.04 -0.04 7.75 7.66 1ph1A1 ALA 179 H -0.26 0.29 0.09 -0.55 8.40 7.98 1ph1A1 ALA 179 HA -0.31 0.10 0.61 -0.75 4.34 3.99 1ph1A1 ALA 179 HB3 -1.02 0.03 -0.09 -0.04 1.41 0.30 1ph1A1 THR 180 H -0.15 0.23 0.07 -0.55 8.28 7.89 1ph1A1 THR 180 HA -0.08 0.21 0.99 -0.75 4.39 4.75 1ph1A1 THR 180 HB -0.03 -0.00 0.04 -0.04 4.32 4.29 1ph1A1 THR 180 HG23 -0.01 -0.01 -0.20 -0.04 1.22 0.96 1ph1A1 ILE 181 H -0.02 0.27 0.10 -0.55 8.25 8.05 1ph1A1 ILE 181 HA 0.04 0.14 0.96 -0.75 4.18 4.57 1ph1A1 ILE 181 HB 0.12 0.05 -0.08 -0.04 1.89 1.94 1ph1A1 ILE 181 HG12 0.03 0.01 -0.24 -0.04 1.49 1.24 1ph1A1 ILE 181 HG13 0.04 -0.10 -0.01 -0.04 1.21 1.10 1ph1A1 ILE 181 HG23 0.04 0.06 0.06 -0.04 0.93 1.05 1ph1A1 ILE 181 HD13 0.03 0.02 -0.10 -0.04 0.88 0.79 1ph1A1 GLU 182 H 0.07 0.13 0.08 -0.55 8.60 8.34 1ph1A1 GLU 182 HA 0.03 0.20 0.63 -0.75 4.29 4.40 1ph1A1 GLU 182 HB2 0.09 -0.05 0.08 -0.04 2.09 2.17 1ph1A1 GLU 182 HB3 0.05 -0.06 0.14 -0.04 1.99 2.08 1ph1A1 GLU 182 HG2 0.08 0.02 -0.06 -0.04 2.34 2.34 1ph1A1 GLU 182 HG3 0.10 0.05 0.03 -0.04 2.34 2.47 1ph1A1 LYS 183 H 0.02 0.21 0.18 -0.55 8.42 8.28 1ph1A1 LYS 183 HA 0.00 0.13 0.41 -0.75 4.32 4.11 1ph1A1 LYS 183 HB2 0.01 0.06 0.16 -0.04 1.87 2.06 1ph1A1 LYS 183 HB3 0.01 -0.00 0.12 -0.04 1.79 1.87 1ph1A1 LYS 183 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.38 1ph1A1 LYS 183 HG3 0.00 0.04 0.06 -0.04 1.46 1.52 1ph1A1 LYS 183 HD2 0.00 0.03 0.01 -0.04 1.69 1.69 1ph1A1 LYS 183 HD3 0.00 -0.01 -0.05 -0.04 1.68 1.58 1ph1A1 LYS 183 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.89 1ph1A1 LYS 183 HE3 -0.00 0.02 0.00 -0.04 2.99 2.97 1ph1A1 ASN 184 H 0.03 0.10 -0.16 -0.55 8.53 7.95 1ph1A1 ASN 184 HA -0.00 0.13 0.47 -0.75 4.76 4.61 1ph1A1 ASN 184 HB2 0.03 0.05 0.11 -0.04 2.88 3.03 1ph1A1 ASN 184 HB3 0.03 0.03 0.09 -0.04 2.79 2.89 1ph1A1 ASN 184 HD21 0.17 0.08 -0.04 -0.04 7.03 7.20 1ph1A1 ASN 184 HD22 0.11 0.00 -0.09 -0.04 7.74 7.72 1ph1A1 GLU 185 H 0.01 0.37 -0.48 -0.55 8.60 7.95 1ph1A1 GLU 185 HA -0.13 0.11 0.61 -0.75 4.29 4.13 1ph1A1 GLU 185 HB2 -0.02 0.21 0.03 -0.04 2.09 2.27 1ph1A1 GLU 185 HB3 -0.14 -0.00 0.03 -0.04 1.99 1.84 1ph1A1 GLU 185 HG2 0.16 0.04 -0.01 -0.04 2.34 2.49 1ph1A1 GLU 185 HG3 0.13 -0.11 0.00 -0.04 2.34 2.32 1ph1A1 ILE 186 H -0.05 0.35 -0.22 -0.55 8.25 7.77 1ph1A1 ILE 186 HA -0.11 0.07 0.33 -0.75 4.18 3.71 1ph1A1 ILE 186 HB -0.04 0.10 0.12 -0.04 1.89 2.03 1ph1A1 ILE 186 HG12 -0.02 -0.00 -0.00 -0.04 1.49 1.42 1ph1A1 ILE 186 HG13 -0.02 0.06 0.12 -0.04 1.21 1.32 1ph1A1 ILE 186 HG23 -0.03 -0.00 -0.06 -0.04 0.93 0.79 1ph1A1 ILE 186 HD13 -0.00 0.00 0.02 -0.04 0.88 0.86 1ph1A1 SER 187 H -0.08 0.22 -0.29 -0.55 8.46 7.76 1ph1A1 SER 187 HA -0.07 0.08 0.45 -0.75 4.49 4.20 1ph1A1 SER 187 HB2 -0.05 0.01 0.02 -0.04 3.95 3.90 1ph1A1 SER 187 HB3 -0.04 0.02 0.06 -0.04 3.93 3.94 1ph1A1 ILE 188 H -0.19 0.19 -0.26 -0.55 8.25 7.44 1ph1A1 ILE 188 HA -0.20 0.04 0.39 -0.75 4.18 3.66 1ph1A1 ILE 188 HB -0.63 0.13 0.14 -0.04 1.89 1.50 1ph1A1 ILE 188 HG12 -0.12 -0.01 0.05 -0.04 1.49 1.37 1ph1A1 ILE 188 HG13 -0.14 0.09 0.16 -0.04 1.21 1.28 1ph1A1 ILE 188 HG23 -0.48 -0.01 -0.07 -0.04 0.93 0.33 1ph1A1 ILE 188 HD13 -0.04 -0.02 0.03 -0.04 0.88 0.82 1ph1A1 LEU 189 H -0.41 0.54 -0.19 -0.55 8.37 7.76 1ph1A1 LEU 189 HA -0.44 0.01 0.40 -0.75 4.35 3.57 1ph1A1 LEU 189 HB2 -0.53 0.00 0.04 -0.04 1.64 1.11 1ph1A1 LEU 189 HB3 -0.24 0.09 0.14 -0.04 1.64 1.59 1ph1A1 LEU 189 HG -0.13 0.02 -0.20 -0.04 1.64 1.30 1ph1A1 LEU 189 HD13 -0.41 -0.03 -0.08 -0.04 0.93 0.38 1ph1A1 LEU 189 HD23 -0.18 0.01 -0.03 -0.04 0.89 0.65 1ph1A1 GLN 190 H -0.13 0.61 0.02 -0.55 8.47 8.43 1ph1A1 GLN 190 HA -0.03 0.05 0.39 -0.75 4.36 4.02 1ph1A1 GLN 190 HB2 -0.04 0.02 0.13 -0.04 2.15 2.21 1ph1A1 GLN 190 HB3 -0.02 -0.03 0.04 -0.04 2.02 1.97 1ph1A1 GLN 190 HG2 -0.06 0.32 0.15 -0.04 2.40 2.77 1ph1A1 GLN 190 HG3 -0.02 -0.06 0.01 -0.04 2.39 2.27 1ph1A1 GLN 190 HE21 0.01 -0.01 -0.05 -0.04 6.97 6.88 1ph1A1 GLN 190 HE22 -0.01 -0.04 -0.05 -0.04 7.69 7.55 1ph1A1 ASN 191 H -0.08 0.58 -0.24 -0.55 8.53 8.24 1ph1A1 ASN 191 HA 0.02 0.02 0.49 -0.75 4.76 4.54 1ph1A1 ASN 191 HB2 -0.07 0.13 0.15 -0.04 2.88 3.05 1ph1A1 ASN 191 HB3 -0.02 -0.07 0.01 -0.04 2.79 2.67 1ph1A1 ASN 191 HD21 -0.03 -0.07 -0.02 -0.04 7.03 6.87 1ph1A1 ASN 191 HD22 -0.06 -0.03 -0.09 -0.04 7.74 7.52 1ph1A1 LEU 192 H -0.08 0.55 -0.13 -0.55 8.37 8.16 1ph1A1 LEU 192 HA 0.09 -0.02 0.45 -0.75 4.35 4.11 1ph1A1 LEU 192 HB2 -0.10 0.08 0.15 -0.04 1.64 1.73 1ph1A1 LEU 192 HB3 -0.03 0.11 0.11 -0.04 1.64 1.79 1ph1A1 LEU 192 HG 0.17 -0.00 -0.13 -0.04 1.64 1.63 1ph1A1 LEU 192 HD13 -0.09 -0.02 0.07 -0.04 0.93 0.85 1ph1A1 LEU 192 HD23 0.09 -0.03 -0.18 -0.04 0.89 0.73 1ph1A1 ARG 193 H 0.03 0.58 -0.20 -0.55 8.46 8.32 1ph1A1 ARG 193 HA 0.12 0.02 0.46 -0.75 4.34 4.18 1ph1A1 ARG 193 HB2 0.04 0.12 0.20 -0.04 1.90 2.22 1ph1A1 ARG 193 HB3 0.06 -0.00 -0.00 -0.04 1.80 1.81 1ph1A1 ARG 193 HG2 0.08 -0.09 0.05 -0.04 1.67 1.66 1ph1A1 ARG 193 HG3 0.04 0.05 -0.02 -0.04 1.67 1.70 1ph1A1 ARG 193 HD2 0.04 -0.08 0.00 -0.04 3.22 3.15 1ph1A1 ARG 193 HD3 0.06 0.07 0.06 -0.04 3.22 3.37 1ph1A1 LYS 194 H 0.07 0.58 -0.06 -0.55 8.42 8.47 1ph1A1 LYS 194 HA 0.06 0.00 0.39 -0.75 4.32 4.02 1ph1A1 LYS 194 HB2 0.05 0.05 0.17 -0.04 1.87 2.10 1ph1A1 LYS 194 HB3 0.09 0.14 0.21 -0.04 1.79 2.19 1ph1A1 LYS 194 HG2 0.07 -0.04 -0.14 -0.04 1.46 1.31 1ph1A1 LYS 194 HG3 0.04 -0.02 0.05 -0.04 1.46 1.49 1ph1A1 LYS 194 HD2 0.04 -0.00 0.01 -0.04 1.69 1.69 1ph1A1 LYS 194 HD3 0.06 0.00 0.00 -0.04 1.68 1.71 1ph1A1 LYS 194 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 1ph1A1 LYS 194 HE3 0.03 -0.00 -0.00 -0.04 2.99 2.97 1ph1A1 TRP 195 H 0.28 0.55 -0.25 -0.55 7.97 8.00 1ph1A1 TRP 195 HA 0.03 0.00 0.45 -0.75 4.62 4.34 1ph1A1 TRP 195 HB2 -0.02 0.03 0.11 -0.04 3.23 3.31 1ph1A1 TRP 195 HB3 -0.01 0.11 0.16 -0.04 3.23 3.44 1ph1A1 TRP 195 HD1 -0.07 0.02 0.02 -0.04 7.22 7.15 1ph1A1 TRP 195 HE1 -0.40 0.04 -0.02 -0.04 10.20 9.79 1ph1A1 TRP 195 HE3 0.02 0.17 -0.22 -0.04 7.59 7.52 1ph1A1 TRP 195 HZ2 -1.37 0.04 -0.18 -0.04 7.44 5.88 1ph1A1 TRP 195 HZ3 -0.06 0.04 -0.16 -0.04 7.13 6.91 1ph1A1 TRP 195 HH2 -0.84 0.04 -0.19 -0.04 7.19 6.16 1ph1A1 ALA 196 H 0.31 0.65 -0.10 -0.55 8.40 8.72 1ph1A1 ALA 196 HA 0.22 -0.05 0.42 -0.75 4.34 4.18 1ph1A1 ALA 196 HB3 0.20 0.04 0.18 -0.04 1.41 1.79 1ph1A1 ASN 197 H 0.06 0.57 -0.23 -0.55 8.53 8.39 1ph1A1 ASN 197 HA 0.05 -0.04 0.47 -0.75 4.76 4.49 1ph1A1 ASN 197 HB2 0.02 0.18 0.13 -0.04 2.88 3.17 1ph1A1 ASN 197 HB3 0.01 -0.03 -0.01 -0.04 2.79 2.72 1ph1A1 ASN 197 HD21 0.03 0.03 -0.05 -0.04 7.03 7.00 1ph1A1 ASN 197 HD22 0.04 0.05 -0.06 -0.04 7.74 7.72 1ph1A1 GLN 198 H -0.08 0.42 -0.09 -0.55 8.47 8.18 1ph1A1 GLN 198 HA -0.06 0.04 0.44 -0.75 4.36 4.02 1ph1A1 GLN 198 HB2 -0.25 0.07 0.22 -0.04 2.15 2.14 1ph1A1 GLN 198 HB3 -0.13 -0.03 -0.00 -0.04 2.02 1.81 1ph1A1 GLN 198 HG2 -0.03 -0.03 0.04 -0.04 2.40 2.34 1ph1A1 GLN 198 HG3 -0.02 0.08 0.08 -0.04 2.39 2.49 1ph1A1 GLN 198 HE21 0.09 -0.04 -0.02 -0.04 6.97 6.96 1ph1A1 GLN 198 HE22 -0.03 0.01 -0.00 -0.04 7.69 7.62 1ph1A1 TYR 199 H -0.41 0.68 -0.11 -0.55 8.29 7.91 1ph1A1 TYR 199 HA -0.24 -0.01 0.34 -0.75 4.56 3.90 1ph1A1 TYR 199 HB2 -1.88 0.01 0.07 -0.04 3.06 1.21 1ph1A1 TYR 199 HB3 -0.57 0.13 0.15 -0.04 2.98 2.65 1ph1A1 TYR 199 HD2 -0.02 0.01 -0.03 -0.04 7.15 7.07 1ph1A1 TYR 199 HE2 0.04 -0.00 -0.05 -0.04 6.85 6.80 1ph1A1 PHE 200 H 0.22 0.54 -0.12 -0.55 8.34 8.42 1ph1A1 PHE 200 HA -0.25 0.08 0.50 -0.75 4.62 4.20 1ph1A1 PHE 200 HB2 -0.03 0.13 0.08 -0.04 3.15 3.29 1ph1A1 PHE 200 HB3 -0.02 -0.12 -0.14 -0.04 3.06 2.73 1ph1A1 PHE 200 HD2 0.10 0.08 0.08 -0.04 7.28 7.51 1ph1A1 PHE 200 HE2 0.28 -0.00 -0.03 -0.04 7.38 7.59 1ph1A1 PHE 200 HZ 0.13 0.00 -0.07 -0.04 7.32 7.34 1ph1A1 SER 201 H 0.01 0.44 -0.29 -0.55 8.46 8.08 1ph1A1 SER 201 HA -0.02 0.20 0.72 -0.75 4.49 4.64 1ph1A1 SER 201 HB2 -0.03 -0.09 0.14 -0.04 3.95 3.92 1ph1A1 SER 201 HB3 -0.00 -0.03 0.16 -0.04 3.93 4.02 1ph1A1 SER 202 H -0.12 0.34 -0.16 -0.55 8.46 7.97 1ph1A1 SER 202 HA -0.20 0.19 0.99 -0.75 4.49 4.72 1ph1A1 SER 202 HB2 -0.44 -0.08 0.10 -0.04 3.95 3.49 1ph1A1 SER 202 HB3 -0.18 -0.04 0.02 -0.04 3.93 3.69 1ph1A1 TYR 203 H -0.15 0.42 0.00 -0.55 8.29 8.01 1ph1A1 TYR 203 HA -0.09 0.16 0.87 -0.75 4.56 4.75 1ph1A1 TYR 203 HB2 -0.44 0.17 0.07 -0.04 3.06 2.83 1ph1A1 TYR 203 HB3 -0.15 -0.22 0.11 -0.04 2.98 2.68 1ph1A1 TYR 203 HD2 0.05 0.01 0.04 -0.04 7.15 7.21 1ph1A1 TYR 203 HE2 0.13 -0.02 -0.03 -0.04 6.85 6.88 1ph1A1 SER 204 H 0.04 0.15 0.11 -0.55 8.46 8.21 1ph1A1 SER 204 HA -0.10 0.06 0.57 -0.75 4.49 4.26 1ph1A1 SER 204 HB2 -0.00 0.08 -0.02 -0.04 3.95 3.97 1ph1A1 SER 204 HB3 -0.01 0.05 0.04 -0.04 3.93 3.97 1ph1A1 VAL 205 H -0.14 0.07 -0.21 -0.55 8.24 7.41 1ph1A1 VAL 205 HA -0.25 0.05 0.32 -0.75 4.13 3.50 1ph1A1 VAL 205 HB -0.40 0.15 0.25 -0.04 2.12 2.08 1ph1A1 VAL 205 HG13 -0.23 0.00 -0.10 -0.04 0.97 0.60 1ph1A1 VAL 205 HG23 -1.83 0.04 -0.29 -0.04 0.95 -1.17 1ph1A1 ILE 206 H 0.04 0.75 0.04 -0.55 8.25 8.53 1ph1A1 ILE 206 HA 0.13 0.12 0.68 -0.75 4.18 4.36 1ph1A1 ILE 206 HB 0.21 -0.01 0.17 -0.04 1.89 2.21 1ph1A1 ILE 206 HG12 0.35 -0.02 0.07 -0.04 1.49 1.85 1ph1A1 ILE 206 HG13 0.22 0.00 0.03 -0.04 1.21 1.42 1ph1A1 ILE 206 HG23 0.18 -0.00 -0.12 -0.04 0.93 0.95 1ph1A1 ILE 206 HD13 0.09 0.08 -0.04 -0.04 0.88 0.97 1ph1A1 SER 207 H 0.12 0.31 -0.07 -0.55 8.46 8.27 1ph1A1 SER 207 HA 0.12 0.13 0.42 -0.75 4.49 4.40 1ph1A1 SER 207 HB2 0.05 -0.06 0.09 -0.04 3.95 3.98 1ph1A1 SER 207 HB3 0.06 0.07 0.10 -0.04 3.93 4.12 1ph1A1 SER 208 H 0.02 0.16 0.13 -0.55 8.46 8.22 1ph1A1 SER 208 HA -0.57 0.10 0.29 -0.75 4.49 3.55 1ph1A1 SER 208 HB2 -0.19 0.04 0.09 -0.04 3.95 3.85 1ph1A1 SER 208 HB3 -0.07 0.01 0.13 -0.04 3.93 3.97 1ph1A1 ASP 209 H -0.02 -0.04 -0.54 -0.55 8.40 7.25 1ph1A1 ASP 209 HA -0.07 0.19 0.63 -0.75 4.63 4.62 1ph1A1 ASP 209 HB2 0.02 0.05 0.10 -0.04 2.71 2.83 1ph1A1 ASP 209 HB3 -0.01 -0.04 0.03 -0.04 2.70 2.65 1ph1A1 MET 210 H 0.05 0.76 -0.23 -0.55 8.47 8.50 1ph1A1 MET 210 HA 0.11 0.18 0.78 -0.75 4.52 4.83 1ph1A1 MET 210 HB2 0.23 0.07 -0.02 -0.04 2.15 2.39 1ph1A1 MET 210 HB3 0.14 -0.02 0.12 -0.04 2.03 2.23 1ph1A1 MET 210 HG2 0.14 0.05 -0.10 -0.04 2.63 2.68 1ph1A1 MET 210 HG3 0.13 -0.16 -0.13 -0.04 2.56 2.37 1ph1A1 MET 210 HE3 -0.08 0.01 -0.06 -0.04 2.10 1.93 1ph1A1 TYR 211 H -0.08 0.40 -0.33 -0.55 8.29 7.73 1ph1A1 TYR 211 HA 0.08 -0.02 0.34 -0.75 4.56 4.21 1ph1A1 TYR 211 HB2 0.07 -0.05 -0.29 -0.04 3.06 2.74 1ph1A1 TYR 211 HB3 0.07 0.16 -0.33 -0.04 2.98 2.84 1ph1A1 TYR 211 HD2 0.04 -0.01 -0.42 -0.04 7.15 6.73 1ph1A1 TYR 211 HE2 0.02 0.04 -0.26 -0.04 6.85 6.61 1ph1A1 THR 212 H 0.27 0.78 0.27 -0.55 8.28 9.05 1ph1A1 THR 212 HA -0.05 0.18 0.99 -0.75 4.39 4.75 1ph1A1 THR 212 HB -0.07 0.03 0.03 -0.04 4.32 4.27 1ph1A1 THR 212 HG23 -0.22 0.04 -0.22 -0.04 1.22 0.77 1ph1A1 ALA 213 H -0.05 0.20 0.11 -0.55 8.40 8.11 1ph1A1 ALA 213 HA 0.07 0.00 0.44 -0.75 4.34 4.09 1ph1A1 ALA 213 HB3 -0.01 0.02 0.09 -0.04 1.41 1.47 1ph1A1 LEU 214 H 0.02 0.09 0.21 -0.55 8.37 8.15 1ph1A1 LEU 214 HA -0.17 0.15 0.31 -0.75 4.35 3.89 1ph1A1 LEU 214 HB2 0.07 -0.13 0.10 -0.04 1.64 1.64 1ph1A1 LEU 214 HB3 0.12 0.09 -0.12 -0.04 1.64 1.69 1ph1A1 LEU 214 HG -0.01 -0.03 0.05 -0.04 1.64 1.61 1ph1A1 LEU 214 HD13 0.07 -0.01 -0.17 -0.04 0.93 0.78 1ph1A1 LEU 214 HD23 -0.37 0.02 -0.10 -0.04 0.89 0.41 1ph1A1 ASN 215 H 0.04 0.03 -0.31 -0.55 8.53 7.74 1ph1A1 ASN 215 HA 0.15 0.18 0.54 -0.75 4.76 4.88 1ph1A1 ASN 215 HB2 0.05 0.08 0.13 -0.04 2.88 3.10 1ph1A1 ASN 215 HB3 0.07 -0.04 0.02 -0.04 2.79 2.80 1ph1A1 ASN 215 HD21 0.01 0.01 -0.01 -0.04 7.03 7.00 1ph1A1 ASN 215 HD22 0.02 0.06 0.01 -0.04 7.74 7.79 1ph1A1 LYS 216 H -0.07 0.56 -0.48 -0.55 8.42 7.88 1ph1A1 LYS 216 HA -0.07 0.22 0.84 -0.75 4.32 4.56 1ph1A1 LYS 216 HB2 -0.11 0.06 -0.02 -0.04 1.87 1.77 1ph1A1 LYS 216 HB3 -0.09 0.01 0.10 -0.04 1.79 1.76 1ph1A1 LYS 216 HG2 -0.04 -0.15 -0.23 -0.04 1.46 1.00 1ph1A1 LYS 216 HG3 -0.05 -0.00 -0.03 -0.04 1.46 1.33 1ph1A1 LYS 216 HD2 -0.04 0.01 -0.01 -0.04 1.69 1.61 1ph1A1 LYS 216 HD3 -0.03 0.21 -0.14 -0.04 1.68 1.68 1ph1A1 LYS 216 HE2 -0.01 -0.05 -0.10 -0.04 2.99 2.78 1ph1A1 LYS 216 HE3 -0.03 -0.02 -0.04 -0.04 2.99 2.86 1ph1A1 ALA 217 H -0.13 0.27 -0.22 -0.55 8.40 7.78 1ph1A1 ALA 217 HA -0.74 0.05 0.27 -0.75 4.34 3.17 1ph1A1 ALA 217 HB3 -0.19 0.00 0.01 -0.04 1.41 1.19 1ph1A1 GLN 218 H -0.20 0.12 -0.28 -0.55 8.47 7.56 1ph1A1 GLN 218 HA -0.76 0.08 0.36 -0.75 4.36 3.29 1ph1A1 GLN 218 HB2 -0.97 -0.02 0.02 -0.04 2.15 1.14 1ph1A1 GLN 218 HB3 -0.29 0.01 -0.06 -0.04 2.02 1.64 1ph1A1 GLN 218 HG2 -0.24 0.02 -0.12 -0.04 2.40 2.02 1ph1A1 GLN 218 HG3 -0.54 0.02 0.06 -0.04 2.39 1.89 1ph1A1 GLN 218 HE21 0.05 0.01 -0.01 -0.04 6.97 6.98 1ph1A1 GLN 218 HE22 -0.04 0.00 -0.01 -0.04 7.69 7.60 1ph1A1 ALA 219 H -0.18 0.35 -0.58 -0.55 8.40 7.44 1ph1A1 ALA 219 HA -0.09 0.13 0.59 -0.75 4.34 4.22 1ph1A1 ALA 219 HB3 -0.08 0.00 0.05 -0.04 1.41 1.34 1ph1A1 GLN 220 H -0.13 0.39 -0.22 -0.55 8.47 7.97 1ph1A1 GLN 220 HA -0.01 0.01 0.57 -0.75 4.36 4.17 1ph1A1 GLN 220 HB2 0.06 0.14 0.05 -0.04 2.15 2.36 1ph1A1 GLN 220 HB3 0.15 -0.06 -0.10 -0.04 2.02 1.97 1ph1A1 GLN 220 HG2 -0.24 0.02 -0.05 -0.04 2.40 2.09 1ph1A1 GLN 220 HG3 -0.32 -0.05 -0.08 -0.04 2.39 1.90 1ph1A1 GLN 220 HE21 -0.03 -0.02 -0.05 -0.04 6.97 6.84 1ph1A1 GLN 220 HE22 -0.10 0.02 -0.11 -0.04 7.69 7.45 1ph1A1 LYS 221 H 0.04 0.05 0.17 -0.55 8.42 8.13 1ph1A1 LYS 221 HA 0.04 0.14 0.52 -0.75 4.32 4.26 1ph1A1 LYS 221 HB2 0.05 -0.08 0.13 -0.04 1.87 1.92 1ph1A1 LYS 221 HB3 0.04 -0.01 0.02 -0.04 1.79 1.80 1ph1A1 LYS 221 HG2 0.02 0.05 0.03 -0.04 1.46 1.53 1ph1A1 LYS 221 HG3 0.02 0.01 0.09 -0.04 1.46 1.54 1ph1A1 LYS 221 HD2 0.02 -0.01 0.02 -0.04 1.69 1.68 1ph1A1 LYS 221 HD3 0.02 0.00 0.02 -0.04 1.68 1.68 1ph1A1 LYS 221 HE2 0.02 0.00 0.03 -0.04 2.99 3.00 1ph1A1 LYS 221 HE3 0.03 -0.01 0.01 -0.04 2.99 2.98 1ph1A1 GLY 222 H 0.10 0.00 -0.06 -0.55 8.43 7.93 1ph1A1 GLY 222 HA2 0.09 0.23 0.87 -0.51 4.01 4.69 1ph1A1 GLY 222 HA3 0.09 -0.07 0.36 -0.51 4.01 3.88 1ph1A1 ASP 223 H 0.08 0.04 0.12 -0.55 8.40 8.10 1ph1A1 ASP 223 HA -0.04 0.31 0.78 -0.75 4.63 4.92 1ph1A1 ASP 223 HB2 -0.09 -0.01 0.03 -0.04 2.71 2.59 1ph1A1 ASP 223 HB3 0.02 -0.04 -0.05 -0.04 2.70 2.58 1ph1A1 PHE 224 H -0.54 0.54 0.44 -0.55 8.34 8.22 1ph1A1 PHE 224 HA 0.04 0.11 0.59 -0.75 4.62 4.61 1ph1A1 PHE 224 HB2 0.03 -0.04 0.11 -0.04 3.15 3.21 1ph1A1 PHE 224 HB3 0.03 0.09 -0.11 -0.04 3.06 3.03 1ph1A1 PHE 224 HD2 0.02 0.14 -0.29 -0.04 7.28 7.11 1ph1A1 PHE 224 HE2 -0.02 -0.05 -0.15 -0.04 7.38 7.12 1ph1A1 PHE 224 HZ -0.02 -0.03 -0.31 -0.04 7.32 6.92 1ph1A1 ASP 225 H 0.26 0.17 0.18 -0.55 8.40 8.46 1ph1A1 ASP 225 HA 0.04 0.21 1.09 -0.75 4.63 5.22 1ph1A1 ASP 225 HB2 0.18 0.10 0.19 -0.04 2.71 3.14 1ph1A1 ASP 225 HB3 0.10 0.10 0.23 -0.04 2.70 3.09 1ph1A1 VAL 226 H 0.05 0.53 0.38 -0.55 8.24 8.65 1ph1A1 VAL 226 HA 0.18 0.12 0.80 -0.75 4.13 4.49 1ph1A1 VAL 226 HB 0.12 0.09 0.03 -0.04 2.12 2.32 1ph1A1 VAL 226 HG13 0.05 0.00 -0.22 -0.04 0.97 0.76 1ph1A1 VAL 226 HG23 -0.01 -0.02 -0.33 -0.04 0.95 0.55 1ph1A1 VAL 227 H -0.09 0.20 0.10 -0.55 8.24 7.90 1ph1A1 VAL 227 HA -0.11 0.38 1.05 -0.75 4.13 4.70 1ph1A1 VAL 227 HB -0.82 -0.10 0.12 -0.04 2.12 1.28 1ph1A1 VAL 227 HG13 -0.18 0.02 -0.13 -0.04 0.97 0.64 1ph1A1 VAL 227 HG23 -0.67 0.00 -0.19 -0.04 0.95 0.05 1ph1A1 ALA 228 H -0.04 0.62 0.26 -0.55 8.40 8.70 1ph1A1 ALA 228 HA -0.04 0.11 0.77 -0.75 4.34 4.43 1ph1A1 ALA 228 HB3 -0.02 -0.01 -0.25 -0.04 1.41 1.09 1ph1A1 LYS 229 H -0.03 0.67 0.34 -0.55 8.42 8.85 1ph1A1 LYS 229 HA -0.03 0.22 0.82 -0.75 4.32 4.57 1ph1A1 LYS 229 HB2 -0.04 0.00 -0.04 -0.04 1.87 1.76 1ph1A1 LYS 229 HB3 -0.03 -0.00 0.09 -0.04 1.79 1.80 1ph1A1 LYS 229 HG2 -0.03 -0.03 -0.36 -0.04 1.46 0.99 1ph1A1 LYS 229 HG3 -0.03 0.02 -0.27 -0.04 1.46 1.14 1ph1A1 LYS 229 HD2 -0.04 0.07 0.00 -0.04 1.69 1.69 1ph1A1 LYS 229 HD3 -0.03 0.02 -0.07 -0.04 1.68 1.55 1ph1A1 LYS 229 HE2 -0.03 -0.16 0.03 -0.04 2.99 2.79 1ph1A1 LYS 229 HE3 -0.03 0.12 0.07 -0.04 2.99 3.11 1ph1A1 ILE 230 H -0.03 0.80 0.30 -0.55 8.25 8.77 1ph1A1 ILE 230 HA -0.04 0.07 0.62 -0.75 4.18 4.08 1ph1A1 ILE 230 HB -0.03 -0.01 0.21 -0.04 1.89 2.02 1ph1A1 ILE 230 HG12 -0.04 0.27 0.08 -0.04 1.49 1.76 1ph1A1 ILE 230 HG13 -0.06 -0.05 -0.05 -0.04 1.21 1.01 1ph1A1 ILE 230 HG23 -0.03 -0.06 -0.24 -0.04 0.93 0.56 1ph1A1 ILE 230 HD13 -0.06 -0.03 -0.17 -0.04 0.88 0.58 1ph1A1 LEU 231 H -0.04 0.84 0.46 -0.55 8.37 9.09 1ph1A1 LEU 231 HA -0.02 0.14 0.71 -0.75 4.35 4.42 1ph1A1 LEU 231 HB2 -0.05 0.14 0.07 -0.04 1.64 1.75 1ph1A1 LEU 231 HB3 -0.03 -0.04 -0.03 -0.04 1.64 1.51 1ph1A1 LEU 231 HG -0.05 -0.06 0.04 -0.04 1.64 1.52 1ph1A1 LEU 231 HD13 -0.04 0.05 -0.23 -0.04 0.93 0.66 1ph1A1 LEU 231 HD23 -0.06 0.02 -0.05 -0.04 0.89 0.76 1ph1A1 GLN 232 H -0.01 0.20 0.20 -0.55 8.47 8.32 1ph1A1 GLN 232 HA 0.02 0.11 0.55 -0.75 4.36 4.28 1ph1A1 GLN 232 HB2 0.04 0.20 -0.12 -0.04 2.15 2.23 1ph1A1 GLN 232 HB3 0.04 -0.07 -0.05 -0.04 2.02 1.90 1ph1A1 GLN 232 HG2 0.07 -0.05 -0.39 -0.04 2.40 1.99 1ph1A1 GLN 232 HG3 0.04 0.03 -0.06 -0.04 2.39 2.35 1ph1A1 GLN 232 HE21 0.05 -0.03 -0.03 -0.04 6.97 6.92 1ph1A1 GLN 232 HE22 0.06 0.07 -0.01 -0.04 7.69 7.77 1ph1A1 VAL 233 H 0.02 0.29 0.05 -0.55 8.24 8.05 1ph1A1 VAL 233 HA 0.03 0.17 0.82 -0.75 4.13 4.39 1ph1A1 VAL 233 HB 0.00 0.01 0.11 -0.04 2.12 2.20 1ph1A1 VAL 233 HG13 -0.00 0.01 -0.21 -0.04 0.97 0.73 1ph1A1 VAL 233 HG23 -0.01 0.01 -0.32 -0.04 0.95 0.58 1ph1A1 HIS 234 H 0.11 0.66 0.16 -0.55 8.41 8.81 1ph1A1 HIS 234 HA -0.10 0.14 0.82 -0.75 4.63 4.74 1ph1A1 HIS 234 HB2 -0.07 0.03 -0.06 -0.04 3.26 3.11 1ph1A1 HIS 234 HB3 -0.04 0.06 0.14 -0.04 3.20 3.32 1ph1A1 HIS 234 HD2 -0.12 -0.05 -0.15 -0.04 6.97 6.61 1ph1A1 HIS 234 HE1 -1.98 0.01 -0.15 -0.04 7.75 5.59 1ph1A1 GLU 235 H -0.32 0.18 0.07 -0.55 8.60 7.98 1ph1A1 GLU 235 HA -0.17 0.14 0.64 -0.75 4.29 4.14 1ph1A1 GLU 235 HB2 -0.12 0.05 0.05 -0.04 2.09 2.04 1ph1A1 GLU 235 HB3 -0.20 -0.07 0.18 -0.04 1.99 1.86 1ph1A1 GLU 235 HG2 -0.12 -0.07 -0.20 -0.04 2.34 1.91 1ph1A1 GLU 235 HG3 -0.09 0.15 -0.07 -0.04 2.34 2.29 1ph1A1 LEU 236 H -0.19 0.34 0.28 -0.55 8.37 8.25 1ph1A1 LEU 236 HA -0.24 0.04 0.32 -0.75 4.35 3.72 1ph1A1 LEU 236 HB2 -0.01 -0.00 -0.04 -0.04 1.64 1.54 1ph1A1 LEU 236 HB3 -0.01 -0.04 -0.01 -0.04 1.64 1.54 1ph1A1 LEU 236 HG 0.04 -0.02 -0.15 -0.04 1.64 1.47 1ph1A1 LEU 236 HD13 0.10 0.01 -0.02 -0.04 0.93 0.98 1ph1A1 LEU 236 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.78 1ph1A1 ASP 237 H -0.05 0.43 0.08 -0.55 8.40 8.31 1ph1A1 ASP 237 HA -0.02 0.17 0.46 -0.75 4.63 4.49 1ph1A1 ASP 237 HB2 0.03 -0.15 0.21 -0.04 2.71 2.76 1ph1A1 ASP 237 HB3 0.05 0.24 0.03 -0.04 2.70 2.97 1ph1A1 GLU 238 H -0.13 0.22 0.13 -0.55 8.60 8.28 1ph1A1 GLU 238 HA -0.19 0.06 0.34 -0.75 4.29 3.74 1ph1A1 GLU 238 HB2 -0.29 0.05 0.14 -0.04 2.09 1.95 1ph1A1 GLU 238 HB3 -0.94 -0.02 0.09 -0.04 1.99 1.08 1ph1A1 GLU 238 HG2 -0.61 0.02 -0.11 -0.04 2.34 1.60 1ph1A1 GLU 238 HG3 -0.27 -0.01 0.06 -0.04 2.34 2.08 1ph1A1 TYR 239 H -0.00 -0.03 -0.29 -0.55 8.29 7.42 1ph1A1 TYR 239 HA -0.02 0.31 1.10 -0.75 4.56 5.20 1ph1A1 TYR 239 HB2 -0.02 0.02 -0.07 -0.04 3.06 2.94 1ph1A1 TYR 239 HB3 -0.02 -0.00 0.10 -0.04 2.98 3.01 1ph1A1 TYR 239 HD2 -0.01 0.00 -0.03 -0.04 7.15 7.07 1ph1A1 TYR 239 HE2 -0.01 0.04 -0.02 -0.04 6.85 6.82 1ph1A1 THR 240 H 0.07 0.03 -0.11 -0.55 8.28 7.73 1ph1A1 THR 240 HA 0.05 0.19 1.21 -0.75 4.39 5.08 1ph1A1 THR 240 HB 0.04 -0.04 -0.06 -0.04 4.32 4.22 1ph1A1 THR 240 HG23 0.04 0.08 -0.12 -0.04 1.22 1.18 1ph1A1 ASN 241 H 0.04 0.69 0.29 -0.55 8.53 8.99 1ph1A1 ASN 241 HA -0.03 0.15 0.94 -0.75 4.76 5.06 1ph1A1 ASN 241 HB2 0.04 0.20 0.13 -0.04 2.88 3.21 1ph1A1 ASN 241 HB3 0.02 -0.04 -0.07 -0.04 2.79 2.66 1ph1A1 ASN 241 HD21 0.01 0.03 -0.09 -0.04 7.03 6.94 1ph1A1 ASN 241 HD22 0.04 0.09 -0.11 -0.04 7.74 7.72 1ph1A1 GLU 242 H 0.03 0.70 0.33 -0.55 8.60 9.12 1ph1A1 GLU 242 HA 0.09 0.18 0.97 -0.75 4.29 4.77 1ph1A1 GLU 242 HB2 0.10 -0.03 -0.00 -0.04 2.09 2.11 1ph1A1 GLU 242 HB3 0.18 -0.04 0.16 -0.04 1.99 2.25 1ph1A1 GLU 242 HG2 0.25 0.12 -0.29 -0.04 2.34 2.38 1ph1A1 GLU 242 HG3 0.13 -0.05 -0.09 -0.04 2.34 2.29 1ph1A1 LEU 243 H 0.08 0.66 0.25 -0.55 8.37 8.82 1ph1A1 LEU 243 HA 0.05 0.21 0.81 -0.75 4.35 4.66 1ph1A1 LEU 243 HB2 0.03 0.08 0.09 -0.04 1.64 1.80 1ph1A1 LEU 243 HB3 -0.00 -0.00 -0.14 -0.04 1.64 1.46 1ph1A1 LEU 243 HG -0.03 0.01 -0.07 -0.04 1.64 1.51 1ph1A1 LEU 243 HD13 0.01 0.00 -0.15 -0.04 0.93 0.75 1ph1A1 LEU 243 HD23 -0.05 0.00 -0.14 -0.04 0.89 0.66 1ph1A1 LYS 244 H 0.01 0.49 0.35 -0.55 8.42 8.72 1ph1A1 LYS 244 HA -0.38 0.20 0.94 -0.75 4.32 4.32 1ph1A1 LYS 244 HB2 0.05 0.02 0.03 -0.04 1.87 1.93 1ph1A1 LYS 244 HB3 -0.04 -0.17 0.25 -0.04 1.79 1.79 1ph1A1 LYS 244 HG2 -0.25 0.05 -0.13 -0.04 1.46 1.09 1ph1A1 LYS 244 HG3 -0.61 0.01 -0.00 -0.04 1.46 0.82 1ph1A1 LYS 244 HD2 0.08 0.01 -0.05 -0.04 1.69 1.70 1ph1A1 LYS 244 HD3 -0.01 -0.03 -0.08 -0.04 1.68 1.52 1ph1A1 LYS 244 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.84 1ph1A1 LYS 244 HE3 0.03 -0.05 -0.04 -0.04 2.99 2.89 1ph1A1 LEU 245 H -0.17 0.94 0.36 -0.55 8.37 8.96 1ph1A1 LEU 245 HA -0.05 0.34 1.14 -0.75 4.35 5.02 1ph1A1 LEU 245 HB2 0.02 -0.05 -0.06 -0.04 1.64 1.51 1ph1A1 LEU 245 HB3 -0.01 -0.04 -0.11 -0.04 1.64 1.43 1ph1A1 LEU 245 HG -0.02 -0.01 -0.36 -0.04 1.64 1.21 1ph1A1 LEU 245 HD13 -0.00 -0.01 -0.25 -0.04 0.93 0.62 1ph1A1 LEU 245 HD23 -0.04 0.01 -0.29 -0.04 0.89 0.53 1ph1A1 LYS 246 H -0.03 0.49 0.28 -0.55 8.42 8.61 1ph1A1 LYS 246 HA 0.02 0.35 0.83 -0.75 4.32 4.77 1ph1A1 LYS 246 HB2 -0.04 -0.03 -0.20 -0.04 1.87 1.57 1ph1A1 LYS 246 HB3 -0.03 0.03 0.03 -0.04 1.79 1.77 1ph1A1 LYS 246 HG2 -0.01 0.05 -0.16 -0.04 1.46 1.31 1ph1A1 LYS 246 HG3 0.00 0.04 -0.27 -0.04 1.46 1.18 1ph1A1 LYS 246 HD2 -0.04 -0.12 -0.08 -0.04 1.69 1.41 1ph1A1 LYS 246 HD3 -0.04 0.14 -0.11 -0.04 1.68 1.64 1ph1A1 LYS 246 HE2 -0.01 -0.05 -0.01 -0.04 2.99 2.88 1ph1A1 LYS 246 HE3 -0.01 0.15 -0.02 -0.04 2.99 3.07 1ph1A1 ASP 247 H 0.04 0.20 0.18 -0.55 8.40 8.27 1ph1A1 ASP 247 HA -0.00 0.27 1.11 -0.75 4.63 5.25 1ph1A1 ASP 247 HB2 0.03 0.24 0.36 -0.04 2.71 3.29 1ph1A1 ASP 247 HB3 0.02 0.03 0.05 -0.04 2.70 2.75 1ph1A1 ALA 248 H 0.04 0.23 0.22 -0.55 8.40 8.33 1ph1A1 ALA 248 HA 0.01 0.20 0.38 -0.75 4.34 4.17 1ph1A1 ALA 248 HB3 0.04 0.02 0.11 -0.04 1.41 1.54 1ph1A1 SER 249 H 0.04 -0.08 -0.31 -0.55 8.46 7.56 1ph1A1 SER 249 HA 0.02 0.22 0.56 -0.75 4.49 4.54 1ph1A1 SER 249 HB2 0.02 0.12 0.11 -0.04 3.95 4.16 1ph1A1 SER 249 HB3 0.03 -0.05 0.09 -0.04 3.93 3.96 1ph1A1 GLY 250 H 0.02 0.44 -0.31 -0.55 8.43 8.04 1ph1A1 GLY 250 HA2 0.01 0.12 0.27 -0.51 4.01 3.90 1ph1A1 GLY 250 HA3 0.02 0.16 0.51 -0.51 4.01 4.18 1ph1A1 GLN 251 H 0.06 -0.14 -0.29 -0.55 8.47 7.55 1ph1A1 GLN 251 HA 0.06 0.16 0.59 -0.75 4.36 4.42 1ph1A1 GLN 251 HB2 0.14 -0.25 -0.08 -0.04 2.15 1.92 1ph1A1 GLN 251 HB3 0.31 0.09 -0.27 -0.04 2.02 2.11 1ph1A1 GLN 251 HG2 0.08 0.06 -0.06 -0.04 2.40 2.44 1ph1A1 GLN 251 HG3 0.17 -0.07 -0.12 -0.04 2.39 2.33 1ph1A1 GLN 251 HE21 0.02 0.03 0.01 -0.04 6.97 6.99 1ph1A1 GLN 251 HE22 0.06 0.01 0.00 -0.04 7.69 7.72 1ph1A1 VAL 252 H 0.02 0.15 0.21 -0.55 8.24 8.07 1ph1A1 VAL 252 HA 0.01 0.41 1.12 -0.75 4.13 4.91 1ph1A1 VAL 252 HB -0.06 -0.08 0.15 -0.04 2.12 2.09 1ph1A1 VAL 252 HG13 -0.26 0.01 -0.09 -0.04 0.97 0.59 1ph1A1 VAL 252 HG23 -0.03 0.00 -0.03 -0.04 0.95 0.85 1ph1A1 PHE 253 H 0.02 0.64 0.36 -0.55 8.34 8.81 1ph1A1 PHE 253 HA -0.02 0.24 0.87 -0.75 4.62 4.96 1ph1A1 PHE 253 HB2 -0.00 -0.09 -0.12 -0.04 3.15 2.90 1ph1A1 PHE 253 HB3 0.01 0.05 -0.13 -0.04 3.06 2.95 1ph1A1 PHE 253 HD2 0.04 -0.06 -0.51 -0.04 7.28 6.70 1ph1A1 PHE 253 HE2 0.02 0.04 -0.15 -0.04 7.38 7.25 1ph1A1 PHE 253 HZ 0.43 -0.03 -0.04 -0.04 7.32 7.63 1ph1A1 TYR 254 H 0.23 0.74 0.47 -0.55 8.29 9.18 1ph1A1 TYR 254 HA 0.06 0.37 1.16 -0.75 4.56 5.40 1ph1A1 TYR 254 HB2 0.01 -0.01 0.03 -0.04 3.06 3.05 1ph1A1 TYR 254 HB3 0.03 -0.04 0.06 -0.04 2.98 2.99 1ph1A1 TYR 254 HD2 -0.02 0.06 -0.12 -0.04 7.15 7.04 1ph1A1 TYR 254 HE2 -0.03 -0.01 -0.08 -0.04 6.85 6.69 1ph1A1 THR 255 H 0.17 0.48 0.29 -0.55 8.28 8.67 1ph1A1 THR 255 HA 0.10 0.13 0.62 -0.75 4.39 4.49 1ph1A1 THR 255 HB 0.08 0.01 -0.22 -0.04 4.32 4.14 1ph1A1 THR 255 HG23 0.02 -0.01 -0.23 -0.04 1.22 0.96 1ph1A1 LEU 256 H 0.06 0.19 0.21 -0.55 8.37 8.28 1ph1A1 LEU 256 HA 0.06 0.20 0.83 -0.75 4.35 4.70 1ph1A1 LEU 256 HB2 0.03 -0.01 0.15 -0.04 1.64 1.78 1ph1A1 LEU 256 HB3 0.04 -0.02 0.02 -0.04 1.64 1.64 1ph1A1 LEU 256 HG 0.04 -0.01 0.05 -0.04 1.64 1.68 1ph1A1 LEU 256 HD13 0.02 0.00 -0.02 -0.04 0.93 0.89 1ph1A1 LEU 256 HD23 0.05 0.00 -0.09 -0.04 0.89 0.81 1ph1A1 SER 257 H 0.07 0.82 0.31 -0.55 8.46 9.11 1ph1A1 SER 257 HA 0.21 0.13 0.83 -0.75 4.49 4.91 1ph1A1 SER 257 HB2 0.09 0.02 -0.22 -0.04 3.95 3.79 1ph1A1 SER 257 HB3 0.09 -0.06 0.04 -0.04 3.93 3.95 1ph1A1 LEU 258 H 0.02 0.18 0.08 -0.55 8.37 8.10 1ph1A1 LEU 258 HA 0.02 0.11 0.59 -0.75 4.35 4.31 1ph1A1 LEU 258 HB2 -0.21 -0.01 0.14 -0.04 1.64 1.53 1ph1A1 LEU 258 HB3 -0.07 -0.04 0.07 -0.04 1.64 1.55 1ph1A1 LEU 258 HG -0.06 0.00 0.02 -0.04 1.64 1.57 1ph1A1 LEU 258 HD13 -0.13 0.02 0.01 -0.04 0.93 0.78 1ph1A1 LEU 258 HD23 -0.02 0.00 -0.04 -0.04 0.89 0.79 1ph1A1 LYS 259 H 0.03 0.62 0.34 -0.55 8.42 8.86 1ph1A1 LYS 259 HA 0.04 0.13 0.25 -0.75 4.32 3.99 1ph1A1 LYS 259 HB2 0.03 -0.03 0.14 -0.04 1.87 1.97 1ph1A1 LYS 259 HB3 0.02 0.04 -0.06 -0.04 1.79 1.74 1ph1A1 LYS 259 HG2 0.01 0.01 -0.10 -0.04 1.46 1.33 1ph1A1 LYS 259 HG3 0.01 -0.07 -0.31 -0.04 1.46 1.05 1ph1A1 LYS 259 HD2 -0.02 0.16 -0.05 -0.04 1.69 1.74 1ph1A1 LYS 259 HD3 -0.02 -0.02 -0.05 -0.04 1.68 1.55 1ph1A1 LYS 259 HE2 -0.04 -0.06 -0.14 -0.04 2.99 2.71 1ph1A1 LYS 259 HE3 -0.04 0.03 -0.30 -0.04 2.99 2.63 1ph1A1 LEU 260 H 0.01 0.07 -0.06 -0.55 8.37 7.84 1ph1A1 LEU 260 HA 0.03 0.12 0.40 -0.75 4.35 4.15 1ph1A1 LEU 260 HB2 0.03 -0.00 0.08 -0.04 1.64 1.71 1ph1A1 LEU 260 HB3 -0.01 -0.07 0.06 -0.04 1.64 1.58 1ph1A1 LEU 260 HG 0.03 0.06 -0.28 -0.04 1.64 1.41 1ph1A1 LEU 260 HD13 0.05 0.01 0.03 -0.04 0.93 0.98 1ph1A1 LEU 260 HD23 0.00 -0.01 -0.03 -0.04 0.89 0.81 1ph1A1 LYS 261 H -0.14 -0.02 -0.33 -0.55 8.42 7.38 1ph1A1 LYS 261 HA -0.09 0.11 0.49 -0.75 4.32 4.07 1ph1A1 LYS 261 HB2 -0.45 -0.07 0.06 -0.04 1.87 1.37 1ph1A1 LYS 261 HB3 -0.77 -0.03 0.07 -0.04 1.79 1.02 1ph1A1 LYS 261 HG2 -1.99 0.01 -0.16 -0.04 1.46 -0.72 1ph1A1 LYS 261 HG3 -1.39 0.02 0.06 -0.04 1.46 0.11 1ph1A1 LYS 261 HD2 -0.69 -0.07 0.02 -0.04 1.69 0.90 1ph1A1 LYS 261 HD3 -1.13 -0.07 -0.02 -0.04 1.68 0.42 1ph1A1 LYS 261 HE2 -1.07 0.03 0.04 -0.04 2.99 1.96 1ph1A1 LYS 261 HE3 -1.77 0.01 0.06 -0.04 2.99 1.25 1ph1A1 PHE 262 H -0.03 0.49 -0.20 -0.55 8.34 8.05 1ph1A1 PHE 262 HA 0.30 0.18 0.88 -0.75 4.62 5.23 1ph1A1 PHE 262 HB2 0.03 0.02 0.09 -0.04 3.15 3.26 1ph1A1 PHE 262 HB3 0.07 -0.06 0.10 -0.04 3.06 3.13 1ph1A1 PHE 262 HD2 0.18 0.03 -0.00 -0.04 7.28 7.45 1ph1A1 PHE 262 HE2 0.02 0.04 0.01 -0.04 7.38 7.41 1ph1A1 PHE 262 HZ -0.10 0.24 -0.20 -0.04 7.32 7.22 1ph1A1 PRO 263 HA 0.07 0.12 0.51 -0.51 4.44 4.64 1ph1A1 PRO 263 HB2 0.03 -0.02 0.06 -0.04 2.28 2.30 1ph1A1 PRO 263 HB3 0.05 0.12 0.09 -0.04 2.02 2.24 1ph1A1 PRO 263 HG2 -0.08 -0.06 -0.09 -0.04 2.03 1.76 1ph1A1 PRO 263 HG3 0.06 0.03 -0.00 -0.04 2.03 2.08 1ph1A1 PRO 263 HD2 0.11 0.11 -0.04 -0.04 3.68 3.82 1ph1A1 PRO 263 HD3 0.13 0.32 -0.48 -0.04 3.65 3.58 1ph1A1 HIS 264 H 0.52 0.04 -0.51 -0.55 8.41 7.91 1ph1A1 HIS 264 HA -0.07 0.24 0.67 -0.75 4.63 4.72 1ph1A1 HIS 264 HB2 -0.10 -0.01 0.05 -0.04 3.26 3.16 1ph1A1 HIS 264 HB3 -0.25 -0.06 -0.06 -0.04 3.20 2.79 1ph1A1 HIS 264 HD2 -0.03 -0.07 -0.03 -0.04 6.97 6.80 1ph1A1 HIS 264 HE1 0.30 0.01 0.10 -0.04 7.75 8.12 1ph1A1 VAL 265 H -0.12 0.24 -0.28 -0.55 8.24 7.54 1ph1A1 VAL 265 HA -0.26 0.01 0.31 -0.75 4.13 3.43 1ph1A1 VAL 265 HB -0.09 -0.05 -0.12 -0.04 2.12 1.82 1ph1A1 VAL 265 HG13 -0.19 -0.01 -0.06 -0.04 0.97 0.67 1ph1A1 VAL 265 HG23 -0.01 0.05 -0.05 -0.04 0.95 0.89 1ph1A1 ARG 266 H -0.08 0.18 0.12 -0.55 8.46 8.13 1ph1A1 ARG 266 HA -0.03 0.12 0.73 -0.75 4.34 4.40 1ph1A1 ARG 266 HB2 -0.03 -0.07 -0.01 -0.04 1.90 1.75 1ph1A1 ARG 266 HB3 -0.02 0.08 -0.04 -0.04 1.80 1.79 1ph1A1 ARG 266 HG2 -0.03 0.15 -0.67 -0.04 1.67 1.08 1ph1A1 ARG 266 HG3 -0.01 -0.05 -0.11 -0.04 1.67 1.46 1ph1A1 ARG 266 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.14 1ph1A1 ARG 266 HD3 -0.01 0.03 0.06 -0.04 3.22 3.26 1ph1A1 THR 267 H -0.01 0.14 0.05 -0.55 8.28 7.91 1ph1A1 THR 267 HA -0.02 -0.01 0.25 -0.75 4.39 3.86 1ph1A1 THR 267 HB -0.00 0.05 0.08 -0.04 4.32 4.40 1ph1A1 THR 267 HG23 0.00 0.03 -0.23 -0.04 1.22 0.98 1ph1A1 GLY 268 H -0.02 0.83 0.34 -0.55 8.43 9.04 1ph1A1 GLY 268 HA2 -0.02 0.04 0.40 -0.51 4.01 3.92 1ph1A1 GLY 268 HA3 -0.01 0.08 0.59 -0.51 4.01 4.16 1ph1A1 GLU 269 H -0.02 0.30 -0.14 -0.55 8.60 8.20 1ph1A1 GLU 269 HA -0.01 0.17 0.85 -0.75 4.29 4.55 1ph1A1 GLU 269 HB2 -0.02 0.14 0.09 -0.04 2.09 2.26 1ph1A1 GLU 269 HB3 0.00 -0.02 0.03 -0.04 1.99 1.96 1ph1A1 GLU 269 HG2 -0.01 0.07 -0.21 -0.04 2.34 2.15 1ph1A1 GLU 269 HG3 -0.01 -0.01 -0.04 -0.04 2.34 2.25 1ph1A1 VAL 270 H 0.02 0.14 0.20 -0.55 8.24 8.06 1ph1A1 VAL 270 HA -0.00 0.26 1.03 -0.75 4.13 4.66 1ph1A1 VAL 270 HB -0.05 -0.09 0.13 -0.04 2.12 2.08 1ph1A1 VAL 270 HG13 -0.06 -0.01 -0.21 -0.04 0.97 0.65 1ph1A1 VAL 270 HG23 -0.06 0.02 -0.17 -0.04 0.95 0.70 1ph1A1 VAL 271 H 0.03 0.69 0.37 -0.55 8.24 8.78 1ph1A1 VAL 271 HA 0.14 0.30 1.04 -0.75 4.13 4.85 1ph1A1 VAL 271 HB -0.07 0.00 -0.09 -0.04 2.12 1.91 1ph1A1 VAL 271 HG13 -0.08 -0.01 -0.38 -0.04 0.97 0.46 1ph1A1 VAL 271 HG23 -0.07 -0.02 -0.24 -0.04 0.95 0.58 1ph1A1 ARG 272 H -0.06 0.78 0.41 -0.55 8.46 9.04 1ph1A1 ARG 272 HA -0.01 0.23 1.13 -0.75 4.34 4.94 1ph1A1 ARG 272 HB2 0.05 -0.03 0.07 -0.04 1.90 1.95 1ph1A1 ARG 272 HB3 -0.14 0.01 0.20 -0.04 1.80 1.83 1ph1A1 ARG 272 HG2 -0.02 -0.04 -0.42 -0.04 1.67 1.15 1ph1A1 ARG 272 HG3 0.01 0.02 -0.03 -0.04 1.67 1.63 1ph1A1 ARG 272 HD2 0.01 0.01 0.01 -0.04 3.22 3.21 1ph1A1 ARG 272 HD3 -0.06 -0.02 0.01 -0.04 3.22 3.11 1ph1A1 ILE 273 H -0.03 0.68 0.32 -0.55 8.25 8.67 1ph1A1 ILE 273 HA -0.10 0.26 1.01 -0.75 4.18 4.59 1ph1A1 ILE 273 HB -0.05 -0.15 0.14 -0.04 1.89 1.78 1ph1A1 ILE 273 HG12 -0.06 0.01 -0.16 -0.04 1.49 1.23 1ph1A1 ILE 273 HG13 -0.06 -0.03 -0.15 -0.04 1.21 0.93 1ph1A1 ILE 273 HG23 -0.10 0.01 -0.29 -0.04 0.93 0.52 1ph1A1 ILE 273 HD13 -0.13 0.01 -0.19 -0.04 0.88 0.54 1ph1A1 ARG 274 H -0.03 0.76 0.33 -0.55 8.46 8.96 1ph1A1 ARG 274 HA 0.01 0.04 0.81 -0.75 4.34 4.45 1ph1A1 ARG 274 HB2 0.01 -0.02 0.06 -0.04 1.90 1.91 1ph1A1 ARG 274 HB3 0.03 0.08 0.29 -0.04 1.80 2.15 1ph1A1 ARG 274 HG2 0.04 0.04 -0.18 -0.04 1.67 1.54 1ph1A1 ARG 274 HG3 0.06 -0.02 -0.19 -0.04 1.67 1.49 1ph1A1 ARG 274 HD2 0.03 -0.03 -0.05 -0.04 3.22 3.12 1ph1A1 ARG 274 HD3 0.02 -0.01 -0.07 -0.04 3.22 3.12 1ph1A1 SER 275 H -0.02 0.17 0.13 -0.55 8.46 8.20 1ph1A1 SER 275 HA -0.06 0.06 0.41 -0.75 4.49 4.14 1ph1A1 SER 275 HB2 0.09 -0.03 -0.20 -0.04 3.95 3.77 1ph1A1 SER 275 HB3 0.08 0.18 0.27 -0.04 3.93 4.42 1ph1A1 ALA 276 H -0.40 0.63 0.41 -0.55 8.40 8.49 1ph1A1 ALA 276 HA -0.21 0.32 0.97 -0.75 4.34 4.66 1ph1A1 ALA 276 HB3 -0.39 -0.02 -0.10 -0.04 1.41 0.87 1ph1A1 THR 277 H -0.16 0.45 0.34 -0.55 8.28 8.36 1ph1A1 THR 277 HA -0.09 0.26 0.86 -0.75 4.39 4.67 1ph1A1 THR 277 HB 0.10 0.12 0.01 -0.04 4.32 4.50 1ph1A1 THR 277 HG23 0.00 0.00 -0.29 -0.04 1.22 0.90 1ph1A1 TYR 278 H 0.45 0.29 0.10 -0.55 8.29 8.58 1ph1A1 TYR 278 HA 0.27 0.10 0.66 -0.75 4.56 4.83 1ph1A1 TYR 278 HB2 0.27 0.01 -0.13 -0.04 3.06 3.16 1ph1A1 TYR 278 HB3 0.19 0.09 0.07 -0.04 2.98 3.29 1ph1A1 TYR 278 HD2 0.22 -0.07 -0.29 -0.04 7.15 6.97 1ph1A1 TYR 278 HE2 0.24 -0.01 -0.10 -0.04 6.85 6.94 1ph1A1 ASP 279 H -0.25 0.58 0.32 -0.55 8.40 8.50 1ph1A1 ASP 279 HA 0.03 0.08 0.70 -0.75 4.63 4.68 1ph1A1 ASP 279 HB2 -0.02 0.02 -0.05 -0.04 2.71 2.62 1ph1A1 ASP 279 HB3 -0.10 0.06 0.24 -0.04 2.70 2.86 1ph1A1 GLU 280 H 0.12 0.24 0.18 -0.55 8.60 8.60 1ph1A1 GLU 280 HA 0.25 0.18 0.50 -0.75 4.29 4.47 1ph1A1 GLU 280 HB2 0.12 -0.03 0.07 -0.04 2.09 2.21 1ph1A1 GLU 280 HB3 0.14 0.02 0.10 -0.04 1.99 2.21 1ph1A1 GLU 280 HG2 0.39 0.01 -0.05 -0.04 2.34 2.64 1ph1A1 GLU 280 HG3 0.26 0.08 0.03 -0.04 2.34 2.67 1ph1A1 THR 281 H 0.03 -0.00 -0.28 -0.55 8.28 7.48 1ph1A1 THR 281 HA 0.03 0.20 0.62 -0.75 4.39 4.49 1ph1A1 THR 281 HB 0.01 0.02 0.10 -0.04 4.32 4.41 1ph1A1 THR 281 HG23 0.03 -0.00 -0.02 -0.04 1.22 1.18 1ph1A1 SER 282 H -0.02 0.27 -0.36 -0.55 8.46 7.81 1ph1A1 SER 282 HA -0.01 0.03 0.83 -0.75 4.49 4.58 1ph1A1 SER 282 HB2 -0.08 0.08 0.26 -0.04 3.95 4.17 1ph1A1 SER 282 HB3 -0.04 0.16 0.10 -0.04 3.93 4.11 1ph1A1 THR 283 H -0.01 0.11 0.16 -0.55 8.28 8.00 1ph1A1 THR 283 HA 0.01 0.23 0.66 -0.75 4.39 4.54 1ph1A1 THR 283 HB 0.01 0.02 -0.01 -0.04 4.32 4.30 1ph1A1 THR 283 HG23 0.02 0.04 -0.10 -0.04 1.22 1.13 1ph1A1 GLN 284 H -0.02 0.01 0.09 -0.55 8.47 8.01 1ph1A1 GLN 284 HA -0.01 0.17 0.55 -0.75 4.36 4.31 1ph1A1 GLN 284 HB2 -0.03 -0.02 0.04 -0.04 2.15 2.11 1ph1A1 GLN 284 HB3 -0.02 -0.02 0.06 -0.04 2.02 1.99 1ph1A1 GLN 284 HG2 -0.01 -0.06 0.05 -0.04 2.40 2.34 1ph1A1 GLN 284 HG3 -0.01 0.01 0.03 -0.04 2.39 2.39 1ph1A1 GLN 284 HE21 -0.00 0.03 -0.04 -0.04 6.97 6.92 1ph1A1 GLN 284 HE22 -0.00 -0.05 -0.06 -0.04 7.69 7.54 1ph1A1 LYS 285 H -0.04 0.11 -0.25 -0.55 8.42 7.68 1ph1A1 LYS 285 HA -0.03 0.17 0.49 -0.75 4.32 4.20 1ph1A1 LYS 285 HB2 0.03 0.00 -0.04 -0.04 1.87 1.82 1ph1A1 LYS 285 HB3 -0.08 0.11 -0.24 -0.04 1.79 1.54 1ph1A1 LYS 285 HG2 -0.09 -0.11 -0.21 -0.04 1.46 1.01 1ph1A1 LYS 285 HG3 -0.06 -0.02 -0.30 -0.04 1.46 1.04 1ph1A1 LYS 285 HD2 -0.62 -0.01 -0.15 -0.04 1.69 0.86 1ph1A1 LYS 285 HD3 -0.38 0.03 -0.23 -0.04 1.68 1.06 1ph1A1 LYS 285 HE2 -0.13 -0.02 -0.09 -0.04 2.99 2.72 1ph1A1 LYS 285 HE3 -0.14 -0.08 -0.11 -0.04 2.99 2.62 1ph1A1 LYS 286 H -0.09 0.17 0.09 -0.55 8.42 8.03 1ph1A1 LYS 286 HA -0.30 0.14 0.58 -0.75 4.32 3.99 1ph1A1 LYS 286 HB2 -0.68 0.10 0.32 -0.04 1.87 1.56 1ph1A1 LYS 286 HB3 -2.08 -0.02 0.07 -0.04 1.79 -0.28 1ph1A1 LYS 286 HG2 -0.21 -0.04 0.03 -0.04 1.46 1.20 1ph1A1 LYS 286 HG3 -0.39 0.03 0.07 -0.04 1.46 1.13 1ph1A1 LYS 286 HD2 -0.15 -0.03 0.00 -0.04 1.69 1.47 1ph1A1 LYS 286 HD3 -0.11 0.08 -0.02 -0.04 1.68 1.58 1ph1A1 LYS 286 HE2 -0.00 0.03 -0.05 -0.04 2.99 2.93 1ph1A1 LYS 286 HE3 -0.00 -0.03 -0.01 -0.04 2.99 2.90 1ph1A1 VAL 287 H -0.14 0.27 0.31 -0.55 8.24 8.14 1ph1A1 VAL 287 HA 0.20 0.27 1.20 -0.75 4.13 5.04 1ph1A1 VAL 287 HB -0.02 -0.04 0.10 -0.04 2.12 2.12 1ph1A1 VAL 287 HG13 0.06 -0.01 -0.18 -0.04 0.97 0.80 1ph1A1 VAL 287 HG23 0.02 0.03 -0.29 -0.04 0.95 0.68 1ph1A1 LEU 288 H 0.18 0.68 0.43 -0.55 8.37 9.12 1ph1A1 LEU 288 HA 0.08 0.24 0.95 -0.75 4.35 4.87 1ph1A1 LEU 288 HB2 0.06 -0.01 0.06 -0.04 1.64 1.71 1ph1A1 LEU 288 HB3 -0.03 0.00 -0.05 -0.04 1.64 1.52 1ph1A1 LEU 288 HG 0.18 -0.01 -0.17 -0.04 1.64 1.59 1ph1A1 LEU 288 HD13 -0.07 -0.02 -0.19 -0.04 0.93 0.61 1ph1A1 LEU 288 HD23 -0.12 0.01 -0.19 -0.04 0.89 0.55 1ph1A1 ILE 289 H -0.01 0.62 0.32 -0.55 8.25 8.63 1ph1A1 ILE 289 HA -0.00 0.11 0.91 -0.75 4.18 4.44 1ph1A1 ILE 289 HB -0.01 -0.02 0.06 -0.04 1.89 1.88 1ph1A1 ILE 289 HG12 0.00 0.02 -0.06 -0.04 1.49 1.41 1ph1A1 ILE 289 HG13 0.01 -0.04 -0.30 -0.04 1.21 0.84 1ph1A1 ILE 289 HG23 -0.02 0.01 -0.12 -0.04 0.93 0.75 1ph1A1 ILE 289 HD13 0.02 0.00 -0.11 -0.04 0.88 0.75 1ph1A1 LEU 290 H -0.02 0.16 0.22 -0.55 8.37 8.18 1ph1A1 LEU 290 HA -0.09 0.26 0.97 -0.75 4.35 4.75 1ph1A1 LEU 290 HB2 0.01 -0.01 0.04 -0.04 1.64 1.64 1ph1A1 LEU 290 HB3 0.00 0.06 0.10 -0.04 1.64 1.75 1ph1A1 LEU 290 HG 0.00 -0.06 -0.12 -0.04 1.64 1.43 1ph1A1 LEU 290 HD13 0.07 0.02 -0.08 -0.04 0.93 0.90 1ph1A1 LEU 290 HD23 -0.06 0.02 -0.25 -0.04 0.89 0.56 1ph1A1 SER 291 H -0.20 0.22 0.24 -0.55 8.46 8.18 1ph1A1 SER 291 HA -0.16 0.23 0.91 -0.75 4.49 4.73 1ph1A1 SER 291 HB2 -1.14 -0.03 0.08 -0.04 3.95 2.82 1ph1A1 SER 291 HB3 -0.61 -0.06 0.17 -0.04 3.93 3.39 1ph1A1 HIS 292 H 0.09 0.16 0.18 -0.55 8.41 8.30 1ph1A1 HIS 292 HA -0.12 0.12 0.41 -0.75 4.63 4.29 1ph1A1 HIS 292 HB2 0.05 0.06 0.15 -0.04 3.26 3.48 1ph1A1 HIS 292 HB3 -0.04 -0.01 0.15 -0.04 3.20 3.25 1ph1A1 HIS 292 HD2 -0.18 -0.13 0.14 -0.04 6.97 6.76 1ph1A1 HIS 292 HE1 0.26 0.34 0.10 -0.04 7.75 8.40 1ph1A1 TYR 293 H -0.89 -0.06 -0.26 -0.55 8.29 6.53 1ph1A1 TYR 293 HA -0.01 0.29 0.69 -0.75 4.56 4.78 1ph1A1 TYR 293 HB2 -0.48 -0.00 0.10 -0.04 3.06 2.64 1ph1A1 TYR 293 HB3 -1.13 0.01 0.02 -0.04 2.98 1.84 1ph1A1 TYR 293 HD2 -0.44 0.05 -0.11 -0.04 7.15 6.60 1ph1A1 TYR 293 HE2 -0.05 0.01 -0.03 -0.04 6.85 6.74 1ph1A1 SER 294 H -0.22 0.11 -0.28 -0.55 8.46 7.53 1ph1A1 SER 294 HA 0.08 0.23 0.59 -0.75 4.49 4.63 1ph1A1 SER 294 HB2 0.01 0.06 0.13 -0.04 3.95 4.11 1ph1A1 SER 294 HB3 -0.00 0.06 0.15 -0.04 3.93 4.09 1ph1A1 ASN 295 H 0.06 0.38 0.38 -0.55 8.53 8.81 1ph1A1 ASN 295 HA 0.40 0.13 0.81 -0.75 4.76 5.35 1ph1A1 ASN 295 HB2 0.23 -0.03 -0.18 -0.04 2.88 2.87 1ph1A1 ASN 295 HB3 0.10 -0.04 0.13 -0.04 2.79 2.94 1ph1A1 ASN 295 HD21 0.10 0.20 -0.02 -0.04 7.03 7.27 1ph1A1 ASN 295 HD22 0.09 0.36 -0.15 -0.04 7.74 8.00 1ph1A1 ILE 296 H -0.44 0.24 0.14 -0.55 8.25 7.64 1ph1A1 ILE 296 HA -0.25 0.16 0.98 -0.75 4.18 4.31 1ph1A1 ILE 296 HB -0.97 -0.01 0.12 -0.04 1.89 0.99 1ph1A1 ILE 296 HG12 -0.45 0.02 -0.17 -0.04 1.49 0.86 1ph1A1 ILE 296 HG13 -1.62 -0.02 -0.18 -0.04 1.21 -0.65 1ph1A1 ILE 296 HG23 -0.29 -0.01 -0.19 -0.04 0.93 0.40 1ph1A1 ILE 296 HD13 -0.38 -0.00 -0.11 -0.04 0.88 0.35 1ph1A1 ILE 297 H -0.09 0.72 0.33 -0.55 8.25 8.66 1ph1A1 ILE 297 HA 0.12 0.38 1.09 -0.75 4.18 5.01 1ph1A1 ILE 297 HB -0.14 -0.05 0.14 -0.04 1.89 1.80 1ph1A1 ILE 297 HG12 0.03 0.21 -0.29 -0.04 1.49 1.40 1ph1A1 ILE 297 HG13 -0.00 -0.11 -0.45 -0.04 1.21 0.60 1ph1A1 ILE 297 HG23 -0.15 0.03 -0.30 -0.04 0.93 0.46 1ph1A1 ILE 297 HD13 -0.02 0.04 -0.05 -0.04 0.88 0.81 1ph1A1 THR 298 H 0.08 0.64 0.45 -0.55 8.28 8.90 1ph1A1 THR 298 HA 0.04 0.28 0.92 -0.75 4.39 4.87 1ph1A1 THR 298 HB 0.09 -0.01 0.23 -0.04 4.32 4.58 1ph1A1 THR 298 HG23 0.01 0.03 -0.05 -0.04 1.22 1.17 1ph1A1 PHE 299 H 0.27 0.26 0.26 -0.55 8.34 8.57 1ph1A1 PHE 299 HA 0.01 0.21 1.12 -0.75 4.62 5.21 1ph1A1 PHE 299 HB2 0.02 0.01 0.09 -0.04 3.15 3.24 1ph1A1 PHE 299 HB3 0.07 0.01 0.13 -0.04 3.06 3.24 1ph1A1 PHE 299 HD2 0.17 0.07 0.01 -0.04 7.28 7.49 1ph1A1 PHE 299 HE2 0.02 -0.00 -0.15 -0.04 7.38 7.21 1ph1A1 PHE 299 HZ -0.04 -0.00 -0.08 -0.04 7.32 7.16 1ph1A1 ILE 300 H -0.07 0.30 0.26 -0.55 8.25 8.19 1ph1A1 ILE 300 HA -0.02 0.06 0.49 -0.75 4.18 3.96 1ph1A1 ILE 300 HB -0.08 -0.07 0.04 -0.04 1.89 1.74 1ph1A1 ILE 300 HG12 -0.54 0.12 0.22 -0.04 1.49 1.25 1ph1A1 ILE 300 HG13 -0.16 -0.16 -0.08 -0.04 1.21 0.77 1ph1A1 ILE 300 HG23 -0.13 0.08 -0.06 -0.04 0.93 0.78 1ph1A1 ILE 300 HD13 -0.50 0.02 -0.01 -0.04 0.88 0.35 1ph1A1 GLN 301 H -0.00 0.09 0.16 -0.55 8.47 8.17 1ph1A1 GLN 301 HA 0.02 0.14 0.33 -0.75 4.36 4.09 1ph1A1 GLN 301 HB2 -0.00 -0.08 0.13 -0.04 2.15 2.16 1ph1A1 GLN 301 HB3 0.00 0.08 -0.01 -0.04 2.02 2.04 1ph1A1 GLN 301 HG2 0.00 0.08 0.07 -0.04 2.40 2.51 1ph1A1 GLN 301 HG3 0.00 -0.04 0.11 -0.04 2.39 2.43 1ph1A1 GLN 301 HE21 -0.00 -0.01 0.04 -0.04 6.97 6.96 1ph1A1 GLN 301 HE22 -0.00 -0.01 0.05 -0.04 7.69 7.68 1ph1A1 SER 302 H 0.00 -0.00 -0.27 -0.55 8.46 7.64 1ph1A1 SER 302 HA 0.01 0.15 0.39 -0.75 4.49 4.29 1ph1A1 SER 302 HB2 0.02 0.10 0.11 -0.04 3.95 4.14 1ph1A1 SER 302 HB3 0.01 -0.05 0.05 -0.04 3.93 3.91 1ph1A1 SER 303 H 0.08 0.45 -0.41 -0.55 8.46 8.03 1ph1A1 SER 303 HA 0.21 0.10 0.27 -0.75 4.49 4.32 1ph1A1 SER 303 HB2 0.36 -0.01 0.13 -0.04 3.95 4.39 1ph1A1 SER 303 HB3 0.06 0.08 0.08 -0.04 3.93 4.11 1ph1A1 LYS 304 H -0.01 0.88 0.42 -0.55 8.42 9.15 1ph1A1 LYS 304 HA -0.05 0.09 0.52 -0.75 4.32 4.12 1ph1A1 LYS 304 HB2 -0.07 0.26 0.08 -0.04 1.87 2.10 1ph1A1 LYS 304 HB3 -0.09 0.03 -0.02 -0.04 1.79 1.67 1ph1A1 LYS 304 HG2 -0.07 -0.14 -0.27 -0.04 1.46 0.95 1ph1A1 LYS 304 HG3 -0.07 0.02 0.02 -0.04 1.46 1.39 1ph1A1 LYS 304 HD2 -0.11 0.16 -0.29 -0.04 1.69 1.41 1ph1A1 LYS 304 HD3 -0.08 -0.14 -0.41 -0.04 1.68 1.00 1ph1A1 LYS 304 HE2 -0.05 -0.08 -0.10 -0.04 2.99 2.71 1ph1A1 LYS 304 HE3 -0.07 0.02 -0.04 -0.04 2.99 2.86 1ph1A1 LEU 305 H -0.14 0.21 0.03 -0.55 8.37 7.93 1ph1A1 LEU 305 HA -0.13 0.06 0.44 -0.75 4.35 3.97 1ph1A1 LEU 305 HB2 -0.14 -0.01 0.19 -0.04 1.64 1.65 1ph1A1 LEU 305 HB3 -0.37 0.00 0.16 -0.04 1.64 1.40 1ph1A1 LEU 305 HG -0.34 -0.02 -0.26 -0.04 1.64 0.98 1ph1A1 LEU 305 HD13 -0.06 -0.02 0.02 -0.04 0.93 0.83 1ph1A1 LEU 305 HD23 -0.13 0.02 0.02 -0.04 0.89 0.75 1ph1A1 ALA 306 H -0.39 0.10 -0.22 -0.55 8.40 7.34 1ph1A1 ALA 306 HA -0.33 0.02 0.35 -0.75 4.34 3.63 1ph1A1 ALA 306 HB3 -0.29 0.04 0.04 -0.04 1.41 1.17 1ph1A1 LYS 307 H -0.11 0.41 -0.34 -0.55 8.42 7.83 1ph1A1 LYS 307 HA -0.05 0.05 0.41 -0.75 4.32 3.97 1ph1A1 LYS 307 HB2 -0.04 0.20 0.12 -0.04 1.87 2.11 1ph1A1 LYS 307 HB3 -0.05 0.07 0.16 -0.04 1.79 1.92 1ph1A1 LYS 307 HG2 -0.04 -0.05 -0.10 -0.04 1.46 1.23 1ph1A1 LYS 307 HG3 -0.03 -0.03 0.04 -0.04 1.46 1.40 1ph1A1 LYS 307 HD2 -0.02 0.05 -0.01 -0.04 1.69 1.67 1ph1A1 LYS 307 HD3 -0.03 0.02 0.00 -0.04 1.68 1.62 1ph1A1 LYS 307 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.87 1ph1A1 LYS 307 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 1ph1A1 GLU 308 H -0.08 0.55 -0.07 -0.55 8.60 8.46 1ph1A1 GLU 308 HA -0.05 0.04 0.43 -0.75 4.29 3.96 1ph1A1 GLU 308 HB2 -0.06 0.03 0.13 -0.04 2.09 2.15 1ph1A1 GLU 308 HB3 -0.04 -0.06 0.06 -0.04 1.99 1.91 1ph1A1 GLU 308 HG2 -0.04 -0.04 0.04 -0.04 2.34 2.26 1ph1A1 GLU 308 HG3 -0.06 0.30 0.16 -0.04 2.34 2.70 1ph1A1 LEU 309 H -0.10 0.53 -0.20 -0.55 8.37 8.06 1ph1A1 LEU 309 HA -0.05 -0.03 0.45 -0.75 4.35 3.97 1ph1A1 LEU 309 HB2 -0.13 0.21 0.11 -0.04 1.64 1.78 1ph1A1 LEU 309 HB3 -0.08 -0.01 -0.10 -0.04 1.64 1.40 1ph1A1 LEU 309 HG -0.05 -0.08 -0.00 -0.04 1.64 1.47 1ph1A1 LEU 309 HD13 -0.04 0.01 -0.05 -0.04 0.93 0.80 1ph1A1 LEU 309 HD23 -0.13 -0.01 -0.12 -0.04 0.89 0.58 1ph1A1 ARG 310 H -0.07 0.43 -0.27 -0.55 8.46 8.00 1ph1A1 ARG 310 HA -0.04 0.04 0.43 -0.75 4.34 4.02 1ph1A1 ARG 310 HB2 -0.05 0.17 0.26 -0.04 1.90 2.23 1ph1A1 ARG 310 HB3 -0.03 -0.03 0.01 -0.04 1.80 1.71 1ph1A1 ARG 310 HG2 -0.03 0.18 0.17 -0.04 1.67 1.96 1ph1A1 ARG 310 HG3 -0.03 -0.15 0.09 -0.04 1.67 1.53 1ph1A1 ARG 310 HD2 -0.02 -0.03 0.03 -0.04 3.22 3.16 1ph1A1 ARG 310 HD3 -0.02 0.02 0.06 -0.04 3.22 3.25 1ph1A1 ALA 311 H -0.04 0.26 -0.29 -0.55 8.40 7.78 1ph1A1 ALA 311 HA -0.03 0.11 0.56 -0.75 4.34 4.23 1ph1A1 ALA 311 HB3 -0.03 -0.02 0.06 -0.04 1.41 1.39 1ph1A1 LYS 312 H -0.03 0.56 0.06 -0.55 8.42 8.45 1ph1A1 LYS 312 HA -0.02 0.03 0.45 -0.75 4.32 4.03 1ph1A1 LYS 312 HB2 -0.02 -0.00 0.12 -0.04 1.87 1.92 1ph1A1 LYS 312 HB3 -0.03 -0.03 0.10 -0.04 1.79 1.80 1ph1A1 LYS 312 HG2 -0.02 -0.00 -0.20 -0.04 1.46 1.20 1ph1A1 LYS 312 HG3 -0.02 -0.02 0.05 -0.04 1.46 1.44 1ph1A1 LYS 312 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 1ph1A1 LYS 312 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 1ph1A1 LYS 312 HE2 -0.01 0.04 0.01 -0.04 2.99 2.99 1ph1A1 LYS 312 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 1ph1A1 ILE 313 H -0.03 0.42 -0.17 -0.55 8.25 7.92 1ph1A1 ILE 313 HA -0.02 -0.00 0.53 -0.75 4.18 3.93 1ph1A1 ILE 313 HB -0.03 0.15 0.12 -0.04 1.89 2.09 1ph1A1 ILE 313 HG12 -0.02 -0.03 -0.20 -0.04 1.49 1.20 1ph1A1 ILE 313 HG13 -0.03 -0.01 0.05 -0.04 1.21 1.18 1ph1A1 ILE 313 HG23 -0.03 0.01 -0.21 -0.04 0.93 0.66 1ph1A1 ILE 313 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.74 1ph1A1 GLN 314 H -0.03 0.12 0.19 -0.55 8.47 8.20 1ph1A1 GLN 314 HA -0.04 0.24 0.91 -0.75 4.36 4.71 1ph1A1 GLN 314 HB2 -0.04 -0.03 0.10 -0.04 2.15 2.15 1ph1A1 GLN 314 HB3 -0.05 -0.03 0.07 -0.04 2.02 1.97 1ph1A1 GLN 314 HG2 -0.03 0.16 -0.17 -0.04 2.40 2.33 1ph1A1 GLN 314 HG3 -0.03 -0.08 0.01 -0.04 2.39 2.24 1ph1A1 GLN 314 HE21 -0.03 -0.04 0.01 -0.04 6.97 6.87 1ph1A1 GLN 314 HE22 -0.03 0.42 -0.19 -0.04 7.69 7.85 1ph1A1 ASP 315 H -0.08 0.11 0.14 -0.55 8.40 8.03 1ph1A1 ASP 315 HA -0.11 0.03 0.35 -0.75 4.63 4.15 1ph1A1 ASP 315 HB2 -0.10 0.03 0.16 -0.04 2.71 2.76 1ph1A1 ASP 315 HB3 -0.27 -0.03 -0.02 -0.04 2.70 2.34 1ph1A1 ASP 316 H -0.16 0.20 0.20 -0.55 8.40 8.10 1ph1A1 ASP 316 HA -0.13 0.16 0.95 -0.75 4.63 4.86 1ph1A1 ASP 316 HB2 -0.05 0.20 -0.02 -0.04 2.71 2.79 1ph1A1 ASP 316 HB3 -0.05 -0.00 0.12 -0.04 2.70 2.72 1ph1A1 HIS 317 H 0.00 0.20 0.17 -0.55 8.41 8.24 1ph1A1 HIS 317 HA 0.08 0.20 0.84 -0.75 4.63 5.00 1ph1A1 HIS 317 HB2 0.03 0.05 0.03 -0.04 3.26 3.33 1ph1A1 HIS 317 HB3 0.15 -0.00 0.15 -0.04 3.20 3.45 1ph1A1 HIS 317 HD2 0.09 0.03 0.03 -0.04 6.97 7.07 1ph1A1 HIS 317 HE1 -0.07 0.02 -0.06 -0.04 7.75 7.60 1ph1A1 SER 318 H 0.06 0.13 0.08 -0.55 8.46 8.18 1ph1A1 SER 318 HA 0.08 0.12 0.44 -0.75 4.49 4.38 1ph1A1 SER 318 HB2 0.03 0.07 0.05 -0.04 3.95 4.07 1ph1A1 SER 318 HB3 0.03 0.05 0.14 -0.04 3.93 4.12 1ph1A1 VAL 319 H 0.07 0.10 -0.19 -0.55 8.24 7.67 1ph1A1 VAL 319 HA 0.05 0.11 0.36 -0.75 4.13 3.89 1ph1A1 VAL 319 HB 0.13 0.02 -0.04 -0.04 2.12 2.19 1ph1A1 VAL 319 HG13 0.13 0.02 -0.09 -0.04 0.97 1.00 1ph1A1 VAL 319 HG23 0.06 -0.00 0.01 -0.04 0.95 0.98 1ph1A1 GLU 320 H 0.12 0.04 -0.44 -0.55 8.60 7.77 1ph1A1 GLU 320 HA -0.03 0.14 0.39 -0.75 4.29 4.03 1ph1A1 GLU 320 HB2 0.19 0.08 0.13 -0.04 2.09 2.45 1ph1A1 GLU 320 HB3 -0.20 0.04 -0.06 -0.04 1.99 1.73 1ph1A1 GLU 320 HG2 0.04 -0.01 0.03 -0.04 2.34 2.36 1ph1A1 GLU 320 HG3 -0.01 0.12 -0.01 -0.04 2.34 2.40 1ph1A1 VAL 321 H 0.12 0.54 0.01 -0.55 8.24 8.36 1ph1A1 VAL 321 HA 0.05 0.07 0.38 -0.75 4.13 3.88 1ph1A1 VAL 321 HB 0.09 0.00 0.12 -0.04 2.12 2.29 1ph1A1 VAL 321 HG13 0.06 -0.00 -0.10 -0.04 0.97 0.89 1ph1A1 VAL 321 HG23 0.20 0.04 0.03 -0.04 0.95 1.18 1ph1A1 ALA 322 H 0.03 0.46 -0.25 -0.55 8.40 8.10 1ph1A1 ALA 322 HA 0.01 0.05 0.46 -0.75 4.34 4.12 1ph1A1 ALA 322 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 1ph1A1 SER 323 H -0.01 0.35 -0.30 -0.55 8.46 7.96 1ph1A1 SER 323 HA -0.02 -0.00 0.45 -0.75 4.49 4.16 1ph1A1 SER 323 HB2 -0.05 -0.11 0.09 -0.04 3.95 3.85 1ph1A1 SER 323 HB3 -0.03 0.05 0.13 -0.04 3.93 4.05 1ph1A1 LEU 324 H -0.04 0.29 -0.50 -0.55 8.37 7.58 1ph1A1 LEU 324 HA -0.06 0.15 0.53 -0.75 4.35 4.22 1ph1A1 LEU 324 HB2 -0.03 0.11 0.06 -0.04 1.64 1.75 1ph1A1 LEU 324 HB3 -0.04 -0.05 0.10 -0.04 1.64 1.61 1ph1A1 LEU 324 HG -0.17 0.30 -0.00 -0.04 1.64 1.74 1ph1A1 LEU 324 HD13 -0.21 -0.04 -0.04 -0.04 0.93 0.61 1ph1A1 LEU 324 HD23 -0.17 -0.01 -0.06 -0.04 0.89 0.61 1ph1A1 LYS 325 H -0.01 0.30 -0.50 -0.55 8.42 7.66 1ph1A1 LYS 325 HA -0.00 0.11 0.68 -0.75 4.32 4.36 1ph1A1 LYS 325 HB2 0.00 0.16 0.08 -0.04 1.87 2.07 1ph1A1 LYS 325 HB3 0.00 -0.09 0.10 -0.04 1.79 1.76 1ph1A1 LYS 325 HG2 0.01 -0.02 -0.03 -0.04 1.46 1.37 1ph1A1 LYS 325 HG3 0.01 0.12 -0.03 -0.04 1.46 1.52 1ph1A1 LYS 325 HD2 0.01 0.00 0.04 -0.04 1.69 1.70 1ph1A1 LYS 325 HD3 0.01 -0.05 0.02 -0.04 1.68 1.61 1ph1A1 LYS 325 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 1ph1A1 LYS 325 HE3 0.02 0.04 -0.03 -0.04 2.99 2.98 1ph1A1 LYS 326 H -0.01 0.28 -0.35 -0.55 8.42 7.78 1ph1A1 LYS 326 HA 0.00 0.09 0.81 -0.75 4.32 4.46 1ph1A1 LYS 326 HB2 -0.01 0.14 0.04 -0.04 1.87 2.00 1ph1A1 LYS 326 HB3 0.00 -0.08 -0.03 -0.04 1.79 1.64 1ph1A1 LYS 326 HG2 -0.00 0.04 -0.09 -0.04 1.46 1.37 1ph1A1 LYS 326 HG3 -0.00 -0.02 0.01 -0.04 1.46 1.41 1ph1A1 LYS 326 HD2 0.00 -0.05 0.05 -0.04 1.69 1.65 1ph1A1 LYS 326 HD3 0.00 0.06 0.02 -0.04 1.68 1.72 1ph1A1 LYS 326 HE2 0.00 0.02 -0.04 -0.04 2.99 2.93 1ph1A1 LYS 326 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 1ph1A1 ASN 327 H 0.00 0.09 0.14 -0.55 8.53 8.21 1ph1A1 ASN 327 HA 0.01 0.14 0.43 -0.75 4.76 4.58 1ph1A1 ASN 327 HB2 0.00 -0.06 0.13 -0.04 2.88 2.92 1ph1A1 ASN 327 HB3 0.01 -0.00 0.02 -0.04 2.79 2.78 1ph1A1 ASN 327 HD21 0.00 0.00 0.02 -0.04 7.03 7.02 1ph1A1 ASN 327 HD22 0.00 -0.03 0.04 -0.04 7.74 7.71 1ph1A1 VAL 328 H 0.01 0.08 -0.14 -0.55 8.24 7.64 1ph1A1 VAL 328 HA 0.07 0.23 0.86 -0.75 4.13 4.54 1ph1A1 VAL 328 HB 0.01 -0.06 0.07 -0.04 2.12 2.10 1ph1A1 VAL 328 HG13 0.03 -0.01 -0.20 -0.04 0.97 0.75 1ph1A1 VAL 328 HG23 -0.00 -0.00 -0.17 -0.04 0.95 0.74 1ph1A1 SER 329 H 0.11 0.30 0.01 -0.55 8.46 8.34 1ph1A1 SER 329 HA 0.01 0.10 0.99 -0.75 4.49 4.84 1ph1A1 SER 329 HB2 -0.03 0.18 0.01 -0.04 3.95 4.07 1ph1A1 SER 329 HB3 -0.05 0.15 0.10 -0.04 3.93 4.10 1ph1A1 LEU 330 H 0.01 0.19 0.09 -0.55 8.37 8.11 1ph1A1 LEU 330 HA 0.13 0.13 0.45 -0.75 4.35 4.30 1ph1A1 LEU 330 HB2 -0.02 -0.01 0.03 -0.04 1.64 1.59 1ph1A1 LEU 330 HB3 -0.02 -0.03 0.08 -0.04 1.64 1.63 1ph1A1 LEU 330 HG 0.01 0.04 -0.03 -0.04 1.64 1.62 1ph1A1 LEU 330 HD13 -0.00 -0.02 0.00 -0.04 0.93 0.86 1ph1A1 LEU 330 HD23 0.07 0.01 -0.16 -0.04 0.89 0.77 1ph1A1 ASN 331 H -0.07 0.05 -0.58 -0.55 8.53 7.39 1ph1A1 ASN 331 HA -0.28 0.08 0.78 -0.75 4.76 4.59 1ph1A1 ASN 331 HB2 -0.09 0.04 -0.04 -0.04 2.88 2.75 1ph1A1 ASN 331 HB3 -0.13 0.04 -0.13 -0.04 2.79 2.53 1ph1A1 ASN 331 HD21 -0.06 0.22 -0.15 -0.04 7.03 7.00 1ph1A1 ASN 331 HD22 -0.06 -0.09 -0.06 -0.04 7.74 7.49 1ph1A1 ALA 332 H -0.28 0.03 0.06 -0.55 8.40 7.67 1ph1A1 ALA 332 HA -0.17 0.33 0.56 -0.75 4.34 4.30 1ph1A1 ALA 332 HB3 -0.55 -0.03 -0.01 -0.04 1.41 0.77 1ph1A1 VAL 333 H -0.06 0.79 0.34 -0.55 8.24 8.75 1ph1A1 VAL 333 HA -0.08 0.10 0.92 -0.75 4.13 4.31 1ph1A1 VAL 333 HB -0.19 0.04 0.15 -0.04 2.12 2.08 1ph1A1 VAL 333 HG13 -0.41 -0.03 -0.21 -0.04 0.97 0.28 1ph1A1 VAL 333 HG23 -0.15 0.05 -0.20 -0.04 0.95 0.61 1ph1A1 VAL 334 H -0.00 0.19 0.03 -0.55 8.24 7.91 1ph1A1 VAL 334 HA 0.04 0.11 0.73 -0.75 4.13 4.25 1ph1A1 VAL 334 HB 0.04 0.03 0.18 -0.04 2.12 2.34 1ph1A1 VAL 334 HG13 0.01 0.01 -0.05 -0.04 0.97 0.90 1ph1A1 VAL 334 HG23 -0.00 -0.01 -0.11 -0.04 0.95 0.79 1ph1A1 LEU 335 H -0.03 0.61 0.33 -0.55 8.37 8.74 1ph1A1 LEU 335 HA 0.15 0.05 0.39 -0.75 4.35 4.18 1ph1A1 LEU 335 HB2 -0.04 0.05 0.10 -0.04 1.64 1.70 1ph1A1 LEU 335 HB3 0.00 -0.13 0.11 -0.04 1.64 1.58 1ph1A1 LEU 335 HG -0.10 0.10 0.12 -0.04 1.64 1.72 1ph1A1 LEU 335 HD13 -0.04 0.06 -0.14 -0.04 0.93 0.76 1ph1A1 LEU 335 HD23 -0.22 -0.01 -0.05 -0.04 0.89 0.57 1ph1A1 THR 336 H -0.02 0.04 -0.16 -0.55 8.28 7.59 1ph1A1 THR 336 HA -0.10 0.30 1.32 -0.75 4.39 5.16 1ph1A1 THR 336 HB -0.09 0.05 -0.03 -0.04 4.32 4.20 1ph1A1 THR 336 HG23 -0.17 -0.02 -0.31 -0.04 1.22 0.69 1ph1A1 GLU 337 H -0.08 0.63 0.32 -0.55 8.60 8.93 1ph1A1 GLU 337 HA -0.01 0.08 0.89 -0.75 4.29 4.50 1ph1A1 GLU 337 HB2 -0.03 0.04 -0.10 -0.04 2.09 1.96 1ph1A1 GLU 337 HB3 -0.06 0.05 0.05 -0.04 1.99 1.99 1ph1A1 GLU 337 HG2 -0.01 0.02 -0.30 -0.04 2.34 2.01 1ph1A1 GLU 337 HG3 -0.00 0.01 0.02 -0.04 2.34 2.33 1ph1A1 VAL 338 H 0.01 0.14 0.13 -0.55 8.24 7.97 1ph1A1 VAL 338 HA 0.05 0.20 0.86 -0.75 4.13 4.49 1ph1A1 VAL 338 HB 0.05 0.00 -0.02 -0.04 2.12 2.11 1ph1A1 VAL 338 HG13 0.13 0.06 -0.02 -0.04 0.97 1.10 1ph1A1 VAL 338 HG23 0.02 -0.00 -0.20 -0.04 0.95 0.73 1ph1A1 ASP 339 H 0.13 0.44 0.30 -0.55 8.40 8.72 1ph1A1 ASP 339 HA 0.02 0.07 0.47 -0.75 4.63 4.44 1ph1A1 ASP 339 HB2 0.08 0.06 0.18 -0.04 2.71 2.99 1ph1A1 ASP 339 HB3 0.07 -0.03 0.15 -0.04 2.70 2.85 1ph1A1 LYS 340 H -0.01 0.18 0.19 -0.55 8.42 8.23 1ph1A1 LYS 340 HA -0.01 0.11 0.35 -0.75 4.32 4.03 1ph1A1 LYS 340 HB2 -0.02 0.06 0.06 -0.04 1.87 1.93 1ph1A1 LYS 340 HB3 -0.01 0.06 0.16 -0.04 1.79 1.96 1ph1A1 LYS 340 HG2 -0.03 -0.06 0.10 -0.04 1.46 1.43 1ph1A1 LYS 340 HG3 -0.05 0.01 -0.07 -0.04 1.46 1.32 1ph1A1 LYS 340 HD2 -0.02 0.04 -0.02 -0.04 1.69 1.64 1ph1A1 LYS 340 HD3 -0.02 0.03 0.03 -0.04 1.68 1.68 1ph1A1 LYS 340 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.92 1ph1A1 LYS 340 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.90 1ph1A1 LYS 341 H -0.11 0.03 -0.38 -0.55 8.42 7.41 1ph1A1 LYS 341 HA -0.10 0.11 0.40 -0.75 4.32 3.99 1ph1A1 LYS 341 HB2 -0.20 0.05 0.10 -0.04 1.87 1.77 1ph1A1 LYS 341 HB3 -0.14 -0.02 0.07 -0.04 1.79 1.66 1ph1A1 LYS 341 HG2 -0.26 -0.11 -0.05 -0.04 1.46 1.00 1ph1A1 LYS 341 HG3 -0.97 0.08 -0.22 -0.04 1.46 0.31 1ph1A1 LYS 341 HD2 -0.22 0.04 -0.03 -0.04 1.69 1.44 1ph1A1 LYS 341 HD3 -0.13 -0.01 -0.01 -0.04 1.68 1.50 1ph1A1 LYS 341 HE2 -0.07 -0.05 -0.01 -0.04 2.99 2.82 1ph1A1 LYS 341 HE3 -0.13 0.02 -0.05 -0.04 2.99 2.80 1ph1A1 HIS 342 H -0.04 0.71 -0.28 -0.55 8.41 8.26 1ph1A1 HIS 342 HA -0.00 0.20 0.90 -0.75 4.63 4.97 1ph1A1 HIS 342 HB2 0.01 0.06 -0.01 -0.04 3.26 3.28 1ph1A1 HIS 342 HB3 0.01 0.01 0.05 -0.04 3.20 3.22 1ph1A1 HIS 342 HD2 0.02 -0.03 0.06 -0.04 6.97 6.97 1ph1A1 HIS 342 HE1 -0.00 0.01 -0.08 -0.04 7.75 7.63 1ph1A1 ALA 343 H 0.03 0.31 -0.12 -0.55 8.40 8.07 1ph1A1 ALA 343 HA 0.04 0.01 0.28 -0.75 4.34 3.92 1ph1A1 ALA 343 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 1ph1A1 ALA 344 H 0.03 0.05 -0.63 -0.55 8.40 7.30 1ph1A1 ALA 344 HA 0.01 0.17 0.68 -0.75 4.34 4.45 1ph1A1 ALA 344 HB3 0.01 -0.01 -0.00 -0.04 1.41 1.36 1ph1A1 LEU 345 H 0.06 0.80 -0.16 -0.55 8.37 8.53 1ph1A1 LEU 345 HA 0.03 0.09 0.62 -0.75 4.35 4.33 1ph1A1 LEU 345 HB2 0.10 -0.10 0.12 -0.04 1.64 1.72 1ph1A1 LEU 345 HB3 0.06 0.07 0.14 -0.04 1.64 1.87 1ph1A1 LEU 345 HG 0.01 0.20 -0.13 -0.04 1.64 1.67 1ph1A1 LEU 345 HD13 -0.01 0.00 0.05 -0.04 0.93 0.93 1ph1A1 LEU 345 HD23 -0.05 -0.04 -0.16 -0.04 0.89 0.60 1ph1A1 PRO 346 HA 0.02 0.03 0.49 -0.51 4.44 4.47 1ph1A1 PRO 346 HB2 0.02 0.04 0.03 -0.04 2.28 2.33 1ph1A1 PRO 346 HB3 0.01 0.06 0.12 -0.04 2.02 2.17 1ph1A1 PRO 346 HG2 0.02 -0.03 0.08 -0.04 2.03 2.06 1ph1A1 PRO 346 HG3 0.01 0.03 0.09 -0.04 2.03 2.12 1ph1A1 PRO 346 HD2 0.01 0.02 0.27 -0.04 3.68 3.94 1ph1A1 PRO 346 HD3 0.01 0.26 0.25 -0.04 3.65 4.14 1ph1A1 SER 347 H 0.02 0.07 0.16 -0.55 8.46 8.15 1ph1A1 SER 347 HA 0.04 0.30 0.69 -0.75 4.49 4.76 1ph1A1 SER 347 HB2 0.01 -0.06 0.03 -0.04 3.95 3.89 1ph1A1 SER 347 HB3 0.01 -0.10 -0.05 -0.04 3.93 3.75 1ph1A1 THR 348 H 0.03 0.78 0.49 -0.55 8.28 9.02 1ph1A1 THR 348 HA 0.01 0.11 0.94 -0.75 4.39 4.69 1ph1A1 THR 348 HB -0.05 -0.00 0.06 -0.04 4.32 4.28 1ph1A1 THR 348 HG23 -0.09 0.01 -0.09 -0.04 1.22 1.00 1ph1A1 SER 349 H -0.02 0.14 0.13 -0.55 8.46 8.17 1ph1A1 SER 349 HA -0.02 0.15 0.48 -0.75 4.49 4.34 1ph1A1 SER 349 HB2 -0.02 -0.12 0.18 -0.04 3.95 3.94 1ph1A1 SER 349 HB3 -0.02 0.17 0.14 -0.04 3.93 4.19 1ph1A1 LEU 350 H -0.05 0.13 0.16 -0.55 8.37 8.06 1ph1A1 LEU 350 HA -0.06 0.19 0.40 -0.75 4.35 4.13 1ph1A1 LEU 350 HB2 -0.18 -0.14 0.07 -0.04 1.64 1.34 1ph1A1 LEU 350 HB3 -0.60 0.08 -0.14 -0.04 1.64 0.93 1ph1A1 LEU 350 HG -0.25 0.07 -0.11 -0.04 1.64 1.31 1ph1A1 LEU 350 HD13 0.05 0.03 -0.09 -0.04 0.93 0.88 1ph1A1 LEU 350 HD23 -0.26 0.00 -0.25 -0.04 0.89 0.34 1ph1A1 GLN 351 H -0.05 -0.00 -0.20 -0.55 8.47 7.67 1ph1A1 GLN 351 HA 0.17 0.14 0.29 -0.75 4.36 4.20 1ph1A1 GLN 351 HB2 0.01 0.05 0.01 -0.04 2.15 2.19 1ph1A1 GLN 351 HB3 0.05 -0.08 0.04 -0.04 2.02 1.99 1ph1A1 GLN 351 HG2 0.07 0.04 -0.01 -0.04 2.40 2.46 1ph1A1 GLN 351 HG3 0.19 -0.00 -0.19 -0.04 2.39 2.34 1ph1A1 GLN 351 HE21 -0.48 0.04 -0.00 -0.04 6.97 6.48 1ph1A1 GLN 351 HE22 -0.14 -0.01 -0.04 -0.04 7.69 7.46 1ph1A1 ASP 352 H 0.03 0.04 -0.34 -0.55 8.40 7.58 1ph1A1 ASP 352 HA 0.26 0.06 0.37 -0.75 4.63 4.57 1ph1A1 ASP 352 HB2 -0.03 0.06 0.03 -0.04 2.71 2.73 1ph1A1 ASP 352 HB3 0.00 0.06 -0.10 -0.04 2.70 2.62 1ph1A1 LEU 353 H -0.12 0.46 -0.24 -0.55 8.37 7.92 1ph1A1 LEU 353 HA -0.40 0.07 0.31 -0.75 4.35 3.57 1ph1A1 LEU 353 HB2 -0.26 0.12 0.09 -0.04 1.64 1.55 1ph1A1 LEU 353 HB3 -0.68 0.02 -0.14 -0.04 1.64 0.80 1ph1A1 LEU 353 HG -1.59 0.00 -0.13 -0.04 1.64 -0.12 1ph1A1 LEU 353 HD13 -0.86 -0.01 -0.13 -0.04 0.93 -0.11 1ph1A1 LEU 353 HD23 -0.32 0.02 -0.24 -0.04 0.89 0.31 1ph1A1 PHE 354 H 0.02 0.42 -0.24 -0.55 8.34 7.98 1ph1A1 PHE 354 HA -0.07 0.27 0.98 -0.75 4.62 5.04 1ph1A1 PHE 354 HB2 -0.41 0.04 -0.00 -0.04 3.15 2.74 1ph1A1 PHE 354 HB3 -0.13 0.00 0.02 -0.04 3.06 2.92 1ph1A1 PHE 354 HD2 -0.17 0.05 -0.01 -0.04 7.28 7.12 1ph1A1 PHE 354 HE2 -0.08 0.02 -0.05 -0.04 7.38 7.23 1ph1A1 PHE 354 HZ 0.01 0.11 -0.16 -0.04 7.32 7.23 1ph1A1 HIS 355 H -0.04 0.35 0.01 -0.55 8.41 8.18 1ph1A1 HIS 355 HA -0.07 0.24 0.97 -0.75 4.63 5.02 1ph1A1 HIS 355 HB2 -0.42 0.15 0.10 -0.04 3.26 3.05 1ph1A1 HIS 355 HB3 -0.37 -0.03 0.09 -0.04 3.20 2.84 1ph1A1 HIS 355 HD2 -0.04 -0.07 0.03 -0.04 6.97 6.84 1ph1A1 HIS 355 HE1 0.08 0.00 -0.06 -0.04 7.75 7.73 1ph1A1 HIS 356 H -0.01 0.26 0.08 -0.55 8.41 8.20 1ph1A1 HIS 356 HA 0.03 0.25 1.01 -0.75 4.63 5.17 1ph1A1 HIS 356 HB2 0.01 0.03 0.08 -0.04 3.26 3.34 1ph1A1 HIS 356 HB3 0.01 -0.09 0.11 -0.04 3.20 3.19 1ph1A1 HIS 356 HD2 0.03 -0.11 -0.30 -0.04 6.97 6.55 1ph1A1 HIS 356 HE1 0.01 0.01 -0.06 -0.04 7.75 7.67 1ph1A1 ALA 357 H -0.02 0.21 -0.04 -0.55 8.40 8.01 1ph1A1 ALA 357 HA 0.01 -0.02 0.28 -0.75 4.34 3.86 1ph1A1 ALA 357 HB3 -0.09 0.04 0.03 -0.04 1.41 1.34 1ph1A1 ASP 358 H -0.00 0.05 -0.63 -0.55 8.40 7.27 1ph1A1 ASP 358 HA -0.01 0.27 0.83 -0.75 4.63 4.97 1ph1A1 ASP 358 HB2 -0.03 -0.01 -0.08 -0.04 2.71 2.55 1ph1A1 ASP 358 HB3 -0.02 0.00 0.10 -0.04 2.70 2.74 1ph1A1 SER 359 H 0.05 0.40 -0.11 -0.55 8.46 8.24 1ph1A1 SER 359 HA 0.03 0.21 0.86 -0.75 4.49 4.83 1ph1A1 SER 359 HB2 0.06 -0.04 0.03 -0.04 3.95 3.95 1ph1A1 SER 359 HB3 0.05 0.04 -0.10 -0.04 3.93 3.88 1ph1A1 ASP 360 H 0.06 0.49 0.19 -0.55 8.40 8.59 1ph1A1 ASP 360 HA 0.02 0.09 0.66 -0.75 4.63 4.64 1ph1A1 ASP 360 HB2 0.02 0.04 0.09 -0.04 2.71 2.82 1ph1A1 ASP 360 HB3 0.05 0.02 0.07 -0.04 2.70 2.79 1ph1A1 LYS 361 H 0.01 0.18 0.18 -0.55 8.42 8.24 1ph1A1 LYS 361 HA 0.02 0.13 0.33 -0.75 4.32 4.04 1ph1A1 LYS 361 HB2 0.01 0.06 0.15 -0.04 1.87 2.05 1ph1A1 LYS 361 HB3 0.01 -0.08 0.17 -0.04 1.79 1.84 1ph1A1 LYS 361 HG2 0.01 0.02 -0.23 -0.04 1.46 1.22 1ph1A1 LYS 361 HG3 0.01 0.03 0.00 -0.04 1.46 1.46 1ph1A1 LYS 361 HD2 0.00 0.01 0.02 -0.04 1.69 1.68 1ph1A1 LYS 361 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 1ph1A1 LYS 361 HE2 0.00 0.01 -0.04 -0.04 2.99 2.93 1ph1A1 LYS 361 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 1ph1A1 GLU 362 H 0.02 0.06 -0.09 -0.55 8.60 8.05 1ph1A1 GLU 362 HA 0.02 0.10 0.35 -0.75 4.29 4.01 1ph1A1 GLU 362 HB2 0.03 -0.05 0.03 -0.04 2.09 2.06 1ph1A1 GLU 362 HB3 0.03 0.08 -0.00 -0.04 1.99 2.06 1ph1A1 GLU 362 HG2 0.01 -0.09 0.07 -0.04 2.34 2.29 1ph1A1 GLU 362 HG3 0.01 0.05 0.02 -0.04 2.34 2.38 1ph1A1 LEU 363 H 0.06 0.04 -0.30 -0.55 8.37 7.63 1ph1A1 LEU 363 HA 0.23 0.09 0.44 -0.75 4.35 4.36 1ph1A1 LEU 363 HB2 0.07 0.07 -0.01 -0.04 1.64 1.73 1ph1A1 LEU 363 HB3 0.10 0.04 0.02 -0.04 1.64 1.76 1ph1A1 LEU 363 HG 0.07 -0.09 -0.07 -0.04 1.64 1.51 1ph1A1 LEU 363 HD13 0.03 0.00 -0.19 -0.04 0.93 0.73 1ph1A1 LEU 363 HD23 0.13 0.01 -0.10 -0.04 0.89 0.88 1ph1A1 GLN 364 H 0.06 0.32 -0.30 -0.55 8.47 8.00 1ph1A1 GLN 364 HA 0.07 0.18 0.58 -0.75 4.36 4.44 1ph1A1 GLN 364 HB2 0.03 0.07 0.06 -0.04 2.15 2.26 1ph1A1 GLN 364 HB3 0.02 -0.07 -0.01 -0.04 2.02 1.91 1ph1A1 GLN 364 HG2 0.02 0.06 -0.04 -0.04 2.40 2.39 1ph1A1 GLN 364 HG3 0.03 0.16 -0.19 -0.04 2.39 2.35 1ph1A1 GLN 364 HE21 0.01 -0.03 -0.18 -0.04 6.97 6.73 1ph1A1 GLN 364 HE22 0.00 -0.00 -0.16 -0.04 7.69 7.49 1ph1A1 ALA 365 H 0.04 0.26 -0.18 -0.55 8.40 7.98 1ph1A1 ALA 365 HA 0.00 0.07 0.50 -0.75 4.34 4.16 1ph1A1 ALA 365 HB3 0.00 0.00 0.09 -0.04 1.41 1.46 1ph1A1 GLN 366 H 0.04 0.24 -0.55 -0.55 8.47 7.65 1ph1A1 GLN 366 HA -0.15 0.08 0.83 -0.75 4.36 4.37 1ph1A1 GLN 366 HB2 -0.10 0.06 0.02 -0.04 2.15 2.09 1ph1A1 GLN 366 HB3 -0.53 0.04 -0.04 -0.04 2.02 1.45 1ph1A1 GLN 366 HG2 -0.62 -0.08 0.13 -0.04 2.40 1.78 1ph1A1 GLN 366 HG3 -0.23 -0.02 0.07 -0.04 2.39 2.17 1ph1A1 GLN 366 HE21 -0.12 -0.07 0.08 -0.04 6.97 6.82 1ph1A1 GLN 366 HE22 -0.43 0.58 0.27 -0.04 7.69 8.07 1ph1A1 ASP 367 H -0.22 0.03 0.23 -0.55 8.40 7.89 1ph1A1 ASP 367 HA 0.07 0.26 0.92 -0.75 4.63 5.13 1ph1A1 ASP 367 HB2 0.00 0.01 0.23 -0.04 2.71 2.91 1ph1A1 ASP 367 HB3 -0.01 0.10 -0.03 -0.04 2.70 2.71 1ph1A1 THR 368 H -0.41 0.06 0.20 -0.55 8.28 7.57 1ph1A1 THR 368 HA -0.03 0.37 1.15 -0.75 4.39 5.12 1ph1A1 THR 368 HB -0.14 -0.04 0.16 -0.04 4.32 4.27 1ph1A1 THR 368 HG23 -0.12 0.01 -0.13 -0.04 1.22 0.94 1ph1A1 PHE 369 H 0.17 0.67 0.34 -0.55 8.34 8.97 1ph1A1 PHE 369 HA -0.03 0.25 0.96 -0.75 4.62 5.04 1ph1A1 PHE 369 HB2 -0.08 -0.06 -0.11 -0.04 3.15 2.86 1ph1A1 PHE 369 HB3 -0.06 0.02 0.03 -0.04 3.06 3.01 1ph1A1 PHE 369 HD2 0.05 0.01 -0.21 -0.04 7.28 7.09 1ph1A1 PHE 369 HE2 0.06 -0.00 -0.16 -0.04 7.38 7.23 1ph1A1 PHE 369 HZ 0.03 0.42 -0.03 -0.04 7.32 7.70 1ph1A1 ARG 370 H 0.12 0.33 0.23 -0.55 8.46 8.60 1ph1A1 ARG 370 HA 0.01 0.29 1.05 -0.75 4.34 4.94 1ph1A1 ARG 370 HB2 -0.01 -0.01 -0.10 -0.04 1.90 1.75 1ph1A1 ARG 370 HB3 0.03 0.11 -0.13 -0.04 1.80 1.77 1ph1A1 ARG 370 HG2 0.01 -0.11 -0.21 -0.04 1.67 1.31 1ph1A1 ARG 370 HG3 0.00 0.00 -0.11 -0.04 1.67 1.52 1ph1A1 ARG 370 HD2 0.03 -0.01 -0.14 -0.04 3.22 3.06 1ph1A1 ARG 370 HD3 0.02 0.26 -0.13 -0.04 3.22 3.32 1ph1A1 THR 371 H 0.02 0.72 0.35 -0.55 8.28 8.83 1ph1A1 THR 371 HA 0.02 0.01 0.73 -0.75 4.39 4.40 1ph1A1 THR 371 HB -0.02 0.06 -0.22 -0.04 4.32 4.10 1ph1A1 THR 371 HG23 0.16 -0.00 -0.28 -0.04 1.22 1.05 1ph1A1 GLN 372 H 0.03 0.14 0.21 -0.55 8.47 8.30 1ph1A1 GLN 372 HA -0.19 0.48 1.12 -0.75 4.36 5.01 1ph1A1 GLN 372 HB2 -0.00 -0.11 0.10 -0.04 2.15 2.10 1ph1A1 GLN 372 HB3 -0.00 0.02 0.07 -0.04 2.02 2.06 1ph1A1 GLN 372 HG2 -0.02 0.01 -0.01 -0.04 2.40 2.33 1ph1A1 GLN 372 HG3 -0.05 0.08 0.03 -0.04 2.39 2.40 1ph1A1 GLN 372 HE21 -0.00 0.04 -0.22 -0.04 6.97 6.75 1ph1A1 GLN 372 HE22 -0.02 0.04 -0.16 -0.04 7.69 7.50 1ph1A1 PHE 373 H -0.30 0.48 0.38 -0.55 8.34 8.34 1ph1A1 PHE 373 HA 0.10 0.00 0.54 -0.75 4.62 4.52 1ph1A1 PHE 373 HB2 -0.11 0.04 0.12 -0.04 3.15 3.16 1ph1A1 PHE 373 HB3 -0.05 0.05 -0.12 -0.04 3.06 2.91 1ph1A1 PHE 373 HD2 -0.06 0.03 -0.61 -0.04 7.28 6.61 1ph1A1 PHE 373 HE2 -0.12 0.02 -0.28 -0.04 7.38 6.96 1ph1A1 PHE 373 HZ -0.05 0.00 -0.24 -0.04 7.32 6.99 1ph1A1 TYR 374 H 0.02 0.58 0.42 -0.55 8.29 8.76 1ph1A1 TYR 374 HA -0.06 0.19 1.05 -0.75 4.56 4.98 1ph1A1 TYR 374 HB2 -0.30 0.26 0.17 -0.04 3.06 3.14 1ph1A1 TYR 374 HB3 -0.58 -0.05 0.09 -0.04 2.98 2.40 1ph1A1 TYR 374 HD2 0.13 0.04 -0.18 -0.04 7.15 7.10 1ph1A1 TYR 374 HE2 0.10 -0.02 -0.16 -0.04 6.85 6.73 1ph1A1 VAL 375 H 0.08 0.37 0.15 -0.55 8.24 8.29 1ph1A1 VAL 375 HA 0.01 0.03 0.74 -0.75 4.13 4.17 1ph1A1 VAL 375 HB 0.00 0.32 -0.06 -0.04 2.12 2.34 1ph1A1 VAL 375 HG13 0.07 -0.04 -0.28 -0.04 0.97 0.68 1ph1A1 VAL 375 HG23 -0.19 -0.04 -0.15 -0.04 0.95 0.53 1ph1A1 THR 376 H 0.02 0.70 0.46 -0.55 8.28 8.91 1ph1A1 THR 376 HA 0.14 0.20 0.78 -0.75 4.39 4.75 1ph1A1 THR 376 HB 0.08 -0.04 0.03 -0.04 4.32 4.34 1ph1A1 THR 376 HG23 0.04 -0.00 -0.09 -0.04 1.22 1.13 1ph1A1 LYS 377 H 0.06 0.31 0.30 -0.55 8.42 8.54 1ph1A1 LYS 377 HA 0.10 0.17 0.61 -0.75 4.32 4.44 1ph1A1 LYS 377 HB2 0.05 0.11 -0.17 -0.04 1.87 1.83 1ph1A1 LYS 377 HB3 0.04 -0.07 -0.04 -0.04 1.79 1.68 1ph1A1 LYS 377 HG2 0.07 -0.01 -0.30 -0.04 1.46 1.17 1ph1A1 LYS 377 HG3 0.07 0.03 0.04 -0.04 1.46 1.57 1ph1A1 LYS 377 HD2 0.03 0.03 -0.05 -0.04 1.69 1.66 1ph1A1 LYS 377 HD3 0.02 -0.03 -0.11 -0.04 1.68 1.52 1ph1A1 LYS 377 HE2 0.03 -0.02 -0.05 -0.04 2.99 2.91 1ph1A1 LYS 377 HE3 0.04 -0.04 -0.12 -0.04 2.99 2.83 1ph1A1 ILE 378 H 0.15 0.25 0.10 -0.55 8.25 8.21 1ph1A1 ILE 378 HA 0.13 0.20 1.08 -0.75 4.18 4.84 1ph1A1 ILE 378 HB 0.36 0.01 0.03 -0.04 1.89 2.25 1ph1A1 ILE 378 HG12 0.59 -0.01 -0.16 -0.04 1.49 1.87 1ph1A1 ILE 378 HG13 0.27 -0.07 -0.40 -0.04 1.21 0.97 1ph1A1 ILE 378 HG23 -0.34 0.01 -0.25 -0.04 0.93 0.31 1ph1A1 ILE 378 HD13 0.45 0.01 -0.08 -0.04 0.88 1.21 1ph1A1 GLU 379 H -0.08 0.78 0.27 -0.55 8.60 9.02 1ph1A1 GLU 379 HA 0.08 0.01 0.64 -0.75 4.29 4.26 1ph1A1 GLU 379 HB2 -0.04 0.07 0.07 -0.04 2.09 2.16 1ph1A1 GLU 379 HB3 0.00 -0.04 0.01 -0.04 1.99 1.92 1ph1A1 GLU 379 HG2 0.04 -0.03 -0.13 -0.04 2.34 2.17 1ph1A1 GLU 379 HG3 0.02 -0.01 -0.32 -0.04 2.34 1.99 1ph1A1 PRO 380 HA 0.08 -0.00 0.38 -0.51 4.44 4.38 1ph1A1 PRO 380 HB2 0.12 -0.10 -0.03 -0.04 2.28 2.23 1ph1A1 PRO 380 HB3 0.07 0.03 0.07 -0.04 2.02 2.15 1ph1A1 PRO 380 HG2 0.38 0.05 -0.20 -0.04 2.03 2.22 1ph1A1 PRO 380 HG3 0.14 0.14 -0.06 -0.04 2.03 2.20 1ph1A1 PRO 380 HD2 -0.03 0.17 0.48 -0.04 3.68 4.25 1ph1A1 PRO 380 HD3 0.00 0.10 0.13 -0.04 3.65 3.84 1ph1A1 SER 381 H 0.10 0.08 0.14 -0.55 8.46 8.22 1ph1A1 SER 381 HA 0.16 0.24 0.41 -0.75 4.49 4.54 1ph1A1 SER 381 HB2 0.06 -0.10 0.11 -0.04 3.95 3.98 1ph1A1 SER 381 HB3 0.06 0.04 0.04 -0.04 3.93 4.03 1ph1A1 ASP 382 H 0.08 0.02 -0.15 -0.55 8.40 7.80 1ph1A1 ASP 382 HA -0.03 0.09 0.51 -0.75 4.63 4.44 1ph1A1 ASP 382 HB2 0.02 0.06 0.09 -0.04 2.71 2.83 1ph1A1 ASP 382 HB3 0.03 -0.03 0.09 -0.04 2.70 2.75 1ph1A1 VAL 383 H -0.23 0.21 0.23 -0.55 8.24 7.91 1ph1A1 VAL 383 HA -1.55 0.18 0.29 -0.75 4.13 2.29 1ph1A1 VAL 383 HB -0.45 -0.04 0.08 -0.04 2.12 1.66 1ph1A1 VAL 383 HG13 -1.16 0.00 -0.10 -0.04 0.97 -0.33 1ph1A1 VAL 383 HG23 -0.49 0.04 0.08 -0.04 0.95 0.54 1ph1A1 LYS 384 H -0.25 0.04 -0.34 -0.55 8.42 7.31 1ph1A1 LYS 384 HA -0.35 0.08 0.36 -0.75 4.32 3.65 1ph1A1 LYS 384 HB2 -0.20 -0.03 -0.01 -0.04 1.87 1.59 1ph1A1 LYS 384 HB3 -0.79 -0.02 -0.09 -0.04 1.79 0.86 1ph1A1 LYS 384 HG2 -0.33 0.17 -0.14 -0.04 1.46 1.13 1ph1A1 LYS 384 HG3 -0.23 -0.04 -0.02 -0.04 1.46 1.12 1ph1A1 LYS 384 HD2 -0.05 -0.01 -0.02 -0.04 1.69 1.58 1ph1A1 LYS 384 HD3 -0.09 0.06 0.00 -0.04 1.68 1.62 1ph1A1 LYS 384 HE2 -0.10 -0.02 0.01 -0.04 2.99 2.83 1ph1A1 LYS 384 HE3 -0.05 -0.05 -0.01 -0.04 2.99 2.84 1ph1A1 GLU 385 H -0.05 0.43 -0.39 -0.55 8.60 8.04 1ph1A1 GLU 385 HA 0.06 0.11 0.65 -0.75 4.29 4.37 1ph1A1 GLU 385 HB2 0.12 0.13 0.01 -0.04 2.09 2.31 1ph1A1 GLU 385 HB3 0.09 -0.01 0.11 -0.04 1.99 2.15 1ph1A1 GLU 385 HG2 0.07 -0.07 -0.07 -0.04 2.34 2.23 1ph1A1 GLU 385 HG3 0.07 -0.01 -0.00 -0.04 2.34 2.36 1ph1A1 TRP 386 H 0.12 0.42 -0.44 -0.55 7.97 7.52 1ph1A1 TRP 386 HA -0.00 0.15 0.41 -0.75 4.62 4.42 1ph1A1 TRP 386 HB2 0.01 0.09 0.08 -0.04 3.23 3.37 1ph1A1 TRP 386 HB3 0.18 -0.11 -0.02 -0.04 3.23 3.24 1ph1A1 TRP 386 HD1 -0.01 -0.03 -0.25 -0.04 7.22 6.88 1ph1A1 TRP 386 HE1 0.01 0.31 -0.31 -0.04 10.20 10.17 1ph1A1 TRP 386 HE3 -0.35 -0.05 -0.04 -0.04 7.59 7.10 1ph1A1 TRP 386 HZ2 0.09 0.03 -0.09 -0.04 7.44 7.43 1ph1A1 TRP 386 HZ3 -0.64 -0.01 -0.04 -0.04 7.13 6.40 1ph1A1 TRP 386 HH2 0.14 -0.00 -0.06 -0.04 7.19 7.23 1ph1A1 VAL 387 H 0.05 0.17 -0.20 -0.55 8.24 7.72 1ph1A1 VAL 387 HA -0.14 0.34 1.12 -0.75 4.13 4.70 1ph1A1 VAL 387 HB -0.13 -0.06 0.22 -0.04 2.12 2.11 1ph1A1 VAL 387 HG13 -0.19 -0.03 -0.21 -0.04 0.97 0.50 1ph1A1 VAL 387 HG23 -0.64 -0.05 -0.09 -0.04 0.95 0.13 1ph1A1 LYS 388 H -0.06 0.51 0.24 -0.55 8.42 8.54 1ph1A1 LYS 388 HA 0.01 0.09 0.91 -0.75 4.32 4.58 1ph1A1 LYS 388 HB2 -0.04 -0.03 -0.11 -0.04 1.87 1.64 1ph1A1 LYS 388 HB3 0.00 0.03 -0.01 -0.04 1.79 1.77 1ph1A1 LYS 388 HG2 0.01 0.10 -0.45 -0.04 1.46 1.08 1ph1A1 LYS 388 HG3 -0.05 0.02 -0.14 -0.04 1.46 1.24 1ph1A1 LYS 388 HD2 0.00 -0.09 -0.39 -0.04 1.69 1.17 1ph1A1 LYS 388 HD3 0.03 -0.09 -0.27 -0.04 1.68 1.31 1ph1A1 LYS 388 HE2 0.03 -0.14 -0.06 -0.04 2.99 2.78 1ph1A1 LYS 388 HE3 0.05 0.20 -0.01 -0.04 2.99 3.19 1ph1A1 GLY 389 H 0.02 0.63 0.21 -0.55 8.43 8.74 1ph1A1 GLY 389 HA2 0.03 0.21 0.41 -0.51 4.01 4.15 1ph1A1 GLY 389 HA3 0.02 -0.09 0.08 -0.51 4.01 3.50 1ph1A1 TYR 390 H 0.12 0.59 0.03 -0.55 8.29 8.48 1ph1A1 TYR 390 HA -0.02 0.27 0.99 -0.75 4.56 5.04 1ph1A1 TYR 390 HB2 -0.03 -0.01 -0.21 -0.04 3.06 2.77 1ph1A1 TYR 390 HB3 -0.02 0.04 0.02 -0.04 2.98 2.98 1ph1A1 TYR 390 HD2 -0.01 0.00 -0.28 -0.04 7.15 6.81 1ph1A1 TYR 390 HE2 0.01 0.05 -0.25 -0.04 6.85 6.61 1ph1A1 ASP 391 H -0.34 0.73 0.26 -0.55 8.40 8.50 1ph1A1 ASP 391 HA -0.20 0.11 0.89 -0.75 4.63 4.68 1ph1A1 ASP 391 HB2 -0.12 0.23 0.16 -0.04 2.71 2.93 1ph1A1 ASP 391 HB3 -0.20 -0.13 0.28 -0.04 2.70 2.61 1ph1A1 ARG 392 H -0.23 0.22 0.16 -0.55 8.46 8.05 1ph1A1 ARG 392 HA -0.41 0.10 0.32 -0.75 4.34 3.59 1ph1A1 ARG 392 HB2 -0.06 -0.02 0.08 -0.04 1.90 1.85 1ph1A1 ARG 392 HB3 -0.01 0.06 0.06 -0.04 1.80 1.87 1ph1A1 ARG 392 HG2 -0.05 -0.04 0.09 -0.04 1.67 1.64 1ph1A1 ARG 392 HG3 0.01 0.02 0.07 -0.04 1.67 1.73 1ph1A1 ARG 392 HD2 0.10 0.03 0.03 -0.04 3.22 3.33 1ph1A1 ARG 392 HD3 0.26 -0.01 -0.00 -0.04 3.22 3.43 1ph1A1 LYS 393 H -0.14 -0.00 -0.23 -0.55 8.42 7.50 1ph1A1 LYS 393 HA -0.05 0.20 0.63 -0.75 4.32 4.35 1ph1A1 LYS 393 HB2 -0.06 -0.05 0.08 -0.04 1.87 1.80 1ph1A1 LYS 393 HB3 -0.04 0.06 0.00 -0.04 1.79 1.78 1ph1A1 LYS 393 HG2 -0.03 0.07 -0.01 -0.04 1.46 1.44 1ph1A1 LYS 393 HG3 -0.05 -0.11 -0.01 -0.04 1.46 1.25 1ph1A1 LYS 393 HD2 -0.04 -0.01 0.02 -0.04 1.69 1.61 1ph1A1 LYS 393 HD3 -0.03 0.03 0.00 -0.04 1.68 1.65 1ph1A1 LYS 393 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.95 1ph1A1 LYS 393 HE3 -0.02 -0.03 0.00 -0.04 2.99 2.90 1ph1A1 THR 394 H -0.12 0.02 -0.03 -0.55 8.28 7.60 1ph1A1 THR 394 HA -0.04 0.21 0.65 -0.75 4.39 4.46 1ph1A1 THR 394 HB -0.05 -0.02 0.06 -0.04 4.32 4.27 1ph1A1 THR 394 HG23 -0.08 -0.05 -0.01 -0.04 1.22 1.04 1ph1A1 LYS 395 H -0.17 0.20 -0.40 -0.55 8.42 7.50 1ph1A1 LYS 395 HA -0.03 0.03 0.22 -0.75 4.32 3.79 1ph1A1 LYS 395 HB2 0.05 0.15 0.09 -0.04 1.87 2.12 1ph1A1 LYS 395 HB3 0.13 -0.06 0.14 -0.04 1.79 1.95 1ph1A1 LYS 395 HG2 0.01 0.07 -0.43 -0.04 1.46 1.07 1ph1A1 LYS 395 HG3 0.05 -0.04 -0.08 -0.04 1.46 1.35 1ph1A1 LYS 395 HD2 0.14 -0.09 -0.01 -0.04 1.69 1.69 1ph1A1 LYS 395 HD3 0.04 0.07 -0.03 -0.04 1.68 1.72 1ph1A1 LYS 395 HE2 0.02 0.08 0.02 -0.04 2.99 3.07 1ph1A1 LYS 395 HE3 0.05 -0.08 -0.00 -0.04 2.99 2.91 1ph1A1 LYS 396 H -0.13 0.11 -0.07 -0.55 8.42 7.77 1ph1A1 LYS 396 HA 0.08 0.21 0.91 -0.75 4.32 4.77 1ph1A1 LYS 396 HB2 -0.03 -0.11 -0.03 -0.04 1.87 1.66 1ph1A1 LYS 396 HB3 0.01 0.06 -0.01 -0.04 1.79 1.80 1ph1A1 LYS 396 HG2 0.02 0.04 -0.04 -0.04 1.46 1.44 1ph1A1 LYS 396 HG3 0.00 0.24 -0.38 -0.04 1.46 1.28 1ph1A1 LYS 396 HD2 -0.01 -0.08 -0.05 -0.04 1.69 1.51 1ph1A1 LYS 396 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.59 1ph1A1 LYS 396 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 1ph1A1 LYS 396 HE3 -0.00 0.08 -0.01 -0.04 2.99 3.02 1ph1A1 SER 397 H 0.07 0.21 0.17 -0.55 8.46 8.36 1ph1A1 SER 397 HA 0.12 0.35 1.07 -0.75 4.49 5.27 1ph1A1 SER 397 HB2 0.03 0.00 -0.11 -0.04 3.95 3.83 1ph1A1 SER 397 HB3 0.11 -0.04 -0.14 -0.04 3.93 3.82 1ph1A1 SER 398 H 0.03 0.57 0.31 -0.55 8.46 8.82 1ph1A1 SER 398 HA 0.01 0.16 0.77 -0.75 4.49 4.67 1ph1A1 SER 398 HB2 -0.00 -0.02 0.10 -0.04 3.95 3.99 1ph1A1 SER 398 HB3 0.00 0.10 -0.10 -0.04 3.93 3.89 1ph1A1 SER 399 H 0.00 0.15 0.18 -0.55 8.46 8.24 1ph1A1 SER 399 HA 0.04 0.18 0.56 -0.75 4.49 4.52 1ph1A1 SER 399 HB2 0.03 0.10 0.10 -0.04 3.95 4.13 1ph1A1 SER 399 HB3 -0.00 -0.01 0.14 -0.04 3.93 4.01 1ph1A1 LEU 400 H 0.08 0.31 0.15 -0.55 8.37 8.37 1ph1A1 LEU 400 HA -0.03 -0.00 0.68 -0.75 4.35 4.24 1ph1A1 LEU 400 HB2 0.21 0.05 0.27 -0.04 1.64 2.14 1ph1A1 LEU 400 HB3 0.03 -0.06 0.17 -0.04 1.64 1.74 1ph1A1 LEU 400 HG 0.06 0.15 0.11 -0.04 1.64 1.92 1ph1A1 LEU 400 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 1ph1A1 LEU 400 HD23 0.01 0.01 -0.19 -0.04 0.89 0.68 1ph1A1 LYS 401 H -0.09 0.41 -0.38 -0.55 8.42 7.81 1ph1A1 LYS 401 HA -0.27 0.14 0.46 -0.75 4.32 3.90 1ph1A1 LYS 401 HB2 -0.07 -0.10 0.13 -0.04 1.87 1.80 1ph1A1 LYS 401 HB3 -0.08 0.08 -0.01 -0.04 1.79 1.74 1ph1A1 LYS 401 HG2 -0.08 0.01 -0.06 -0.04 1.46 1.30 1ph1A1 LYS 401 HG3 -0.05 -0.02 -0.07 -0.04 1.46 1.28 1ph1A1 LYS 401 HD2 -0.03 0.02 0.02 -0.04 1.69 1.66 1ph1A1 LYS 401 HD3 -0.04 0.04 -0.00 -0.04 1.68 1.64 1ph1A1 LYS 401 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.94 1ph1A1 LYS 401 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.91 1ph1A1 GLY 402 H -0.06 0.13 -0.01 -0.55 8.43 7.93 1ph1A1 GLY 402 HA2 -0.06 0.21 0.65 -0.51 4.01 4.31 1ph1A1 GLY 402 HA3 -0.04 0.03 0.31 -0.51 4.01 3.80 1ph1A1 ALA 403 H -0.09 0.07 -1.35 -0.55 8.40 6.48 1ph1A1 ALA 403 HA -0.04 -0.18 0.20 -0.75 4.34 3.57 1ph1A1 ALA 403 HB3 -0.02 0.05 -0.09 -0.04 1.41 1.31 1ph1A1 SER 404 H -0.02 -0.04 0.01 -0.55 8.46 7.86 1ph1A1 SER 404 HA -0.02 0.15 0.18 -0.75 4.49 4.04 1ph1A1 SER 404 HB2 -0.00 0.12 -0.05 -0.04 3.95 3.98 1ph1A1 SER 404 HB3 -0.01 -0.48 0.20 -0.04 3.93 3.60 1ph1A1 GLY 405 H -0.01 -2.69 0.46 -0.55 8.43 5.64 1ph1A1 GLY 405 HA2 -0.01 0.13 0.40 -0.51 4.01 4.02 1ph1A1 GLY 405 HA3 -0.01 0.12 0.33 -0.51 4.01 3.95 1ph1A1 LYS 406 H -0.01 -0.92 0.28 -0.55 8.42 7.22 1ph1A1 LYS 406 HA -0.02 0.12 0.30 -0.75 4.32 3.97 1ph1A1 LYS 406 HB2 -0.01 0.00 -0.11 -0.04 1.87 1.71 1ph1A1 LYS 406 HB3 -0.02 0.09 0.03 -0.04 1.79 1.85 1ph1A1 LYS 406 HG2 -0.02 0.10 0.02 -0.04 1.46 1.52 1ph1A1 LYS 406 HG3 -0.02 -0.21 0.11 -0.04 1.46 1.31 1ph1A1 LYS 406 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.58 1ph1A1 LYS 406 HD3 -0.01 0.05 -0.04 -0.04 1.68 1.64 1ph1A1 LYS 406 HE2 -0.02 0.03 0.02 -0.04 2.99 2.97 1ph1A1 LYS 406 HE3 -0.02 0.06 -0.03 -0.04 2.99 2.96 1ph1A1 GLY 407 H -0.01 0.05 -0.94 -0.55 8.43 6.98 1ph1A1 GLY 407 HA2 -0.02 0.03 0.26 -0.51 4.01 3.76 1ph1A1 GLY 407 HA3 -0.02 0.18 0.23 -0.51 4.01 3.89 1ph1A1 ASP 408 H 0.04 0.36 0.28 -0.55 8.40 8.53 1ph1A1 ASP 408 HA 0.02 0.08 0.61 -0.75 4.63 4.59 1ph1A1 ASP 408 HB2 0.09 0.04 0.01 -0.04 2.71 2.81 1ph1A1 ASP 408 HB3 0.04 0.04 0.11 -0.04 2.70 2.85 1ph1A1 ASN 409 H 0.01 0.11 0.12 -0.55 8.53 8.22 1ph1A1 ASN 409 HA -0.02 0.22 0.46 -0.75 4.76 4.67 1ph1A1 ASN 409 HB2 -0.04 0.05 -0.08 -0.04 2.88 2.77 1ph1A1 ASN 409 HB3 -0.09 -0.02 -0.23 -0.04 2.79 2.41 1ph1A1 ASN 409 HD21 -0.01 -0.02 -0.03 -0.04 7.03 6.93 1ph1A1 ASN 409 HD22 -0.03 0.11 -0.08 -0.04 7.74 7.70 1ph1A1 ILE 410 H -0.07 0.58 0.31 -0.55 8.25 8.52 1ph1A1 ILE 410 HA -0.04 0.12 0.57 -0.75 4.18 4.07 1ph1A1 ILE 410 HB -0.05 -0.12 -0.05 -0.04 1.89 1.62 1ph1A1 ILE 410 HG12 -0.03 0.11 -0.17 -0.04 1.49 1.36 1ph1A1 ILE 410 HG13 -0.10 -0.04 -0.52 -0.04 1.21 0.51 1ph1A1 ILE 410 HG23 -0.00 0.04 -0.35 -0.04 0.93 0.57 1ph1A1 ILE 410 HD13 -0.33 -0.02 -0.18 -0.04 0.88 0.31 1ph1A1 PHE 411 H 0.16 0.09 0.17 -0.55 8.34 8.21 1ph1A1 PHE 411 HA 0.03 0.31 0.90 -0.75 4.62 5.11 1ph1A1 PHE 411 HB2 0.08 -0.09 0.17 -0.04 3.15 3.26 1ph1A1 PHE 411 HB3 0.07 0.11 0.07 -0.04 3.06 3.26 1ph1A1 PHE 411 HD2 0.18 0.03 -0.00 -0.04 7.28 7.45 1ph1A1 PHE 411 HE2 0.16 0.07 -0.02 -0.04 7.38 7.55 1ph1A1 PHE 411 HZ 0.17 0.09 -0.15 -0.04 7.32 7.39 1ph1A1 GLN 412 H 0.03 0.77 0.23 -0.55 8.47 8.96 1ph1A1 GLN 412 HA -0.57 0.06 0.84 -0.75 4.36 3.94 1ph1A1 GLN 412 HB2 -0.32 -0.08 -0.12 -0.04 2.15 1.59 1ph1A1 GLN 412 HB3 -0.24 0.07 0.19 -0.04 2.02 2.00 1ph1A1 GLN 412 HG2 -0.95 0.03 -0.08 -0.04 2.40 1.36 1ph1A1 GLN 412 HG3 -1.63 -0.04 0.02 -0.04 2.39 0.70 1ph1A1 GLN 412 HE21 -0.10 -0.01 -0.05 -0.04 6.97 6.76 1ph1A1 GLN 412 HE22 -0.18 0.02 -0.07 -0.04 7.69 7.42 1ph1A1 VAL 413 H -0.07 0.53 0.11 -0.55 8.24 8.26 1ph1A1 VAL 413 HA -0.37 0.33 1.05 -0.75 4.13 4.38 1ph1A1 VAL 413 HB -0.50 -0.05 0.12 -0.04 2.12 1.65 1ph1A1 VAL 413 HG13 -1.28 0.01 -0.19 -0.04 0.97 -0.53 1ph1A1 VAL 413 HG23 -0.46 -0.01 -0.05 -0.04 0.95 0.39 1ph1A1 GLN 414 H -0.34 0.86 0.31 -0.55 8.47 8.76 1ph1A1 GLN 414 HA -0.24 0.14 0.96 -0.75 4.36 4.46 1ph1A1 GLN 414 HB2 -0.04 -0.02 -0.14 -0.04 2.15 1.91 1ph1A1 GLN 414 HB3 -0.10 -0.01 0.09 -0.04 2.02 1.96 1ph1A1 GLN 414 HG2 -0.08 -0.01 -0.28 -0.04 2.40 1.98 1ph1A1 GLN 414 HG3 -0.13 0.01 -0.12 -0.04 2.39 2.12 1ph1A1 GLN 414 HE21 -0.05 -0.00 -0.08 -0.04 6.97 6.80 1ph1A1 GLN 414 HE22 -0.05 -0.02 -0.12 -0.04 7.69 7.46 1ph1A1 PHE 415 H -0.20 0.80 0.34 -0.55 8.34 8.74 1ph1A1 PHE 415 HA -0.10 0.15 0.87 -0.75 4.62 4.79 1ph1A1 PHE 415 HB2 -0.17 0.03 0.11 -0.04 3.15 3.09 1ph1A1 PHE 415 HB3 -0.11 -0.01 -0.09 -0.04 3.06 2.81 1ph1A1 PHE 415 HD2 -0.11 0.03 -0.12 -0.04 7.28 7.04 1ph1A1 PHE 415 HE2 -0.40 -0.00 -0.14 -0.04 7.38 6.79 1ph1A1 PHE 415 HZ -0.04 -0.01 -0.13 -0.04 7.32 7.10 1ph1A1 LEU 416 H 0.09 0.66 0.34 -0.55 8.37 8.92 1ph1A1 LEU 416 HA -0.07 0.26 0.73 -0.75 4.35 4.51 1ph1A1 LEU 416 HB2 0.01 0.06 0.18 -0.04 1.64 1.86 1ph1A1 LEU 416 HB3 -0.04 -0.02 0.01 -0.04 1.64 1.55 1ph1A1 LEU 416 HG -0.07 0.02 -0.18 -0.04 1.64 1.37 1ph1A1 LEU 416 HD13 -0.04 0.04 -0.34 -0.04 0.93 0.55 1ph1A1 LEU 416 HD23 -0.02 -0.01 -0.12 -0.04 0.89 0.70 1ph1A1 VAL 417 H -0.18 0.87 0.30 -0.55 8.24 8.67 1ph1A1 VAL 417 HA -0.17 0.26 1.23 -0.75 4.13 4.70 1ph1A1 VAL 417 HB -0.37 -0.02 0.08 -0.04 2.12 1.76 1ph1A1 VAL 417 HG13 -0.68 0.01 -0.35 -0.04 0.97 -0.09 1ph1A1 VAL 417 HG23 -0.55 0.03 -0.22 -0.04 0.95 0.17 1ph1A1 LYS 418 H -0.34 0.48 0.39 -0.55 8.42 8.40 1ph1A1 LYS 418 HA -0.09 0.01 0.56 -0.75 4.32 4.05 1ph1A1 LYS 418 HB2 -0.24 0.07 -0.32 -0.04 1.87 1.34 1ph1A1 LYS 418 HB3 -0.91 0.00 -0.06 -0.04 1.79 0.78 1ph1A1 LYS 418 HG2 -0.01 -0.10 -0.08 -0.04 1.46 1.23 1ph1A1 LYS 418 HG3 0.05 0.03 0.09 -0.04 1.46 1.59 1ph1A1 LYS 418 HD2 0.01 0.02 0.01 -0.04 1.69 1.70 1ph1A1 LYS 418 HD3 0.13 -0.08 -0.02 -0.04 1.68 1.67 1ph1A1 LYS 418 HE2 0.08 -0.03 0.05 -0.04 2.99 3.06 1ph1A1 LYS 418 HE3 0.11 -0.05 0.11 -0.04 2.99 3.12 1ph1A1 ASP 419 H -0.06 0.16 0.11 -0.55 8.40 8.07 1ph1A1 ASP 419 HA 0.17 0.26 0.71 -0.75 4.63 5.01 1ph1A1 ASP 419 HB2 0.09 0.02 0.24 -0.04 2.71 3.01 1ph1A1 ASP 419 HB3 0.07 0.19 -0.03 -0.04 2.70 2.89 1ph1A1 ALA 420 H 0.08 0.24 0.15 -0.55 8.40 8.32 1ph1A1 ALA 420 HA 0.08 0.18 0.43 -0.75 4.34 4.27 1ph1A1 ALA 420 HB3 -0.03 0.05 -0.06 -0.04 1.41 1.32 1ph1A1 SER 421 H -0.01 0.05 -0.08 -0.55 8.46 7.88 1ph1A1 SER 421 HA -0.04 0.17 0.44 -0.75 4.49 4.31 1ph1A1 SER 421 HB2 -0.02 0.08 0.14 -0.04 3.95 4.12 1ph1A1 SER 421 HB3 -0.03 0.07 0.13 -0.04 3.93 4.06 1ph1A1 THR 422 H 0.02 0.31 -0.58 -0.55 8.28 7.48 1ph1A1 THR 422 HA 0.03 0.21 0.89 -0.75 4.39 4.77 1ph1A1 THR 422 HB 0.19 0.10 0.11 -0.04 4.32 4.68 1ph1A1 THR 422 HG23 -0.11 -0.03 -0.29 -0.04 1.22 0.74 1ph1A1 GLN 423 H 0.05 0.23 -0.03 -0.55 8.47 8.18 1ph1A1 GLN 423 HA 0.15 0.08 0.41 -0.75 4.36 4.24 1ph1A1 GLN 423 HB2 0.12 0.00 0.21 -0.04 2.15 2.44 1ph1A1 GLN 423 HB3 0.06 -0.05 0.21 -0.04 2.02 2.20 1ph1A1 GLN 423 HG2 0.08 0.03 -0.19 -0.04 2.40 2.28 1ph1A1 GLN 423 HG3 0.14 0.03 0.03 -0.04 2.39 2.54 1ph1A1 GLN 423 HE21 0.07 -0.03 0.03 -0.04 6.97 7.00 1ph1A1 GLN 423 HE22 0.09 0.03 0.01 -0.04 7.69 7.77 1ph1A1 LEU 424 H 0.04 -0.01 -0.18 -0.55 8.37 7.67 1ph1A1 LEU 424 HA 0.04 0.22 0.62 -0.75 4.35 4.48 1ph1A1 LEU 424 HB2 0.02 -0.04 0.03 -0.04 1.64 1.60 1ph1A1 LEU 424 HB3 0.02 0.02 0.06 -0.04 1.64 1.70 1ph1A1 LEU 424 HG 0.03 -0.08 0.00 -0.04 1.64 1.56 1ph1A1 LEU 424 HD13 0.03 -0.00 0.00 -0.04 0.93 0.92 1ph1A1 LEU 424 HD23 0.04 0.03 -0.05 -0.04 0.89 0.87 1ph1A1 ASN 425 H 0.04 0.12 -0.22 -0.55 8.53 7.93 1ph1A1 ASN 425 HA 0.01 0.12 0.55 -0.75 4.76 4.69 1ph1A1 ASN 425 HB2 0.01 -0.06 0.14 -0.04 2.88 2.93 1ph1A1 ASN 425 HB3 0.01 -0.03 0.08 -0.04 2.79 2.81 1ph1A1 ASN 425 HD21 0.32 -0.04 -0.00 -0.04 7.03 7.27 1ph1A1 ASN 425 HD22 0.05 -0.01 0.04 -0.04 7.74 7.78 1ph1A1 ASN 426 H -0.00 0.08 0.12 -0.55 8.53 8.18 1ph1A1 ASN 426 HA -0.01 0.23 0.62 -0.75 4.76 4.85 1ph1A1 ASN 426 HB2 -0.01 0.00 0.11 -0.04 2.88 2.94 1ph1A1 ASN 426 HB3 -0.02 -0.03 0.13 -0.04 2.79 2.83 1ph1A1 ASN 426 HD21 -0.02 -0.01 0.05 -0.04 7.03 7.02 1ph1A1 ASN 426 HD22 -0.02 -0.03 0.07 -0.04 7.74 7.72 1ph1A1 ASN 427 H -0.02 0.14 -0.56 -0.55 8.53 7.54 1ph1A1 ASN 427 HA -0.18 0.25 1.06 -0.75 4.76 5.14 1ph1A1 ASN 427 HB2 -0.15 -0.05 -0.07 -0.04 2.88 2.57 1ph1A1 ASN 427 HB3 -0.71 0.05 -0.03 -0.04 2.79 2.07 1ph1A1 ASN 427 HD21 0.09 0.01 -0.06 -0.04 7.03 7.03 1ph1A1 ASN 427 HD22 0.23 -0.02 -0.07 -0.04 7.74 7.84 1ph1A1 THR 428 H -0.41 0.31 0.20 -0.55 8.28 7.83 1ph1A1 THR 428 HA -0.16 0.27 0.73 -0.75 4.39 4.46 1ph1A1 THR 428 HB -0.11 0.04 -0.16 -0.04 4.32 4.06 1ph1A1 THR 428 HG23 -0.14 -0.02 -0.10 -0.04 1.22 0.93 1ph1A1 TYR 429 H -0.07 0.77 0.27 -0.55 8.29 8.71 1ph1A1 TYR 429 HA -0.38 0.22 1.08 -0.75 4.56 4.72 1ph1A1 TYR 429 HB2 -0.74 -0.07 -0.08 -0.04 3.06 2.14 1ph1A1 TYR 429 HB3 -1.82 0.08 -0.05 -0.04 2.98 1.15 1ph1A1 TYR 429 HD2 -0.81 0.15 -0.07 -0.04 7.15 6.39 1ph1A1 TYR 429 HE2 -0.25 0.07 -0.16 -0.04 6.85 6.46 1ph1A1 ARG 430 H -0.09 0.16 0.18 -0.55 8.46 8.16 1ph1A1 ARG 430 HA -0.05 0.38 0.87 -0.75 4.34 4.78 1ph1A1 ARG 430 HB2 0.13 -0.01 0.18 -0.04 1.90 2.15 1ph1A1 ARG 430 HB3 0.00 -0.01 -0.05 -0.04 1.80 1.70 1ph1A1 ARG 430 HG2 -0.05 0.06 -0.10 -0.04 1.67 1.53 1ph1A1 ARG 430 HG3 -0.04 -0.01 -0.03 -0.04 1.67 1.54 1ph1A1 ARG 430 HD2 -0.09 -0.01 -0.06 -0.04 3.22 3.02 1ph1A1 ARG 430 HD3 -0.05 -0.01 -0.07 -0.04 3.22 3.05 1ph1A1 VAL 431 H -0.03 0.79 0.38 -0.55 8.24 8.84 1ph1A1 VAL 431 HA 0.12 0.15 0.87 -0.75 4.13 4.51 1ph1A1 VAL 431 HB -0.14 -0.04 0.01 -0.04 2.12 1.91 1ph1A1 VAL 431 HG13 0.07 0.00 -0.21 -0.04 0.97 0.79 1ph1A1 VAL 431 HG23 -0.20 -0.01 -0.32 -0.04 0.95 0.38 1ph1A1 LEU 432 H -0.03 0.71 0.34 -0.55 8.37 8.84 1ph1A1 LEU 432 HA -0.22 0.26 1.13 -0.75 4.35 4.76 1ph1A1 LEU 432 HB2 -0.31 -0.01 0.05 -0.04 1.64 1.33 1ph1A1 LEU 432 HB3 -0.76 -0.03 0.02 -0.04 1.64 0.83 1ph1A1 LEU 432 HG -0.26 0.02 -0.06 -0.04 1.64 1.30 1ph1A1 LEU 432 HD13 -1.00 0.00 -0.09 -0.04 0.93 -0.21 1ph1A1 LEU 432 HD23 -0.43 0.00 -0.20 -0.04 0.89 0.22 1ph1A1 LEU 433 H -0.08 0.74 0.17 -0.55 8.37 8.66 1ph1A1 LEU 433 HA -0.09 0.13 0.78 -0.75 4.35 4.41 1ph1A1 LEU 433 HB2 -0.40 0.02 -0.06 -0.04 1.64 1.15 1ph1A1 LEU 433 HB3 -0.32 -0.05 0.23 -0.04 1.64 1.46 1ph1A1 LEU 433 HG -0.10 -0.02 -0.04 -0.04 1.64 1.45 1ph1A1 LEU 433 HD13 -0.31 0.04 0.06 -0.04 0.93 0.69 1ph1A1 LEU 433 HD23 -0.45 -0.01 -0.00 -0.04 0.89 0.39 1ph1A1 TYR 434 H 0.11 0.22 -0.08 -0.55 8.29 7.99 1ph1A1 TYR 434 HA -0.06 0.31 0.95 -0.75 4.56 5.01 1ph1A1 TYR 434 HB2 -0.08 0.01 0.15 -0.04 3.06 3.09 1ph1A1 TYR 434 HB3 -0.11 -0.05 0.08 -0.04 2.98 2.86 1ph1A1 TYR 434 HD2 -0.13 -0.08 -0.41 -0.04 7.15 6.50 1ph1A1 TYR 434 HE2 -0.17 0.05 -0.28 -0.04 6.85 6.41 1ph1A1 THR 435 H 0.07 0.57 0.18 -0.55 8.28 8.55 1ph1A1 THR 435 HA 0.06 0.31 0.66 -0.75 4.39 4.68 1ph1A1 THR 435 HB 0.14 -0.08 0.03 -0.04 4.32 4.37 1ph1A1 THR 435 HG23 0.17 0.10 -0.25 -0.04 1.22 1.20 1ph1A1 GLN 436 H -0.11 0.18 -0.23 -0.55 8.47 7.76 1ph1A1 GLN 436 HA -0.08 0.09 0.29 -0.75 4.36 3.91 1ph1A1 GLN 436 HB2 -0.56 0.02 -0.02 -0.04 2.15 1.55 1ph1A1 GLN 436 HB3 -0.66 -0.00 -0.01 -0.04 2.02 1.31 1ph1A1 GLN 436 HG2 -0.15 0.05 -0.22 -0.04 2.40 2.04 1ph1A1 GLN 436 HG3 -0.58 0.04 -0.10 -0.04 2.39 1.71 1ph1A1 GLN 436 HE21 0.04 0.14 -0.03 -0.04 6.97 7.08 1ph1A1 GLN 436 HE22 -0.02 0.02 -0.06 -0.04 7.69 7.59 1ph1A1 ASP 437 H -0.01 0.12 -0.30 -0.55 8.40 7.66 1ph1A1 ASP 437 HA 0.04 0.23 0.81 -0.75 4.63 4.95 1ph1A1 ASP 437 HB2 0.03 -0.04 0.01 -0.04 2.71 2.66 1ph1A1 ASP 437 HB3 0.03 0.03 0.16 -0.04 2.70 2.89 1ph1A1 GLY 438 H 0.04 0.56 -0.34 -0.55 8.43 8.15 1ph1A1 GLY 438 HA2 0.06 0.02 0.32 -0.51 4.01 3.90 1ph1A1 GLY 438 HA3 0.05 0.19 0.70 -0.51 4.01 4.44 1ph1A1 LEU 439 H 0.04 0.09 -0.26 -0.55 8.37 7.70 1ph1A1 LEU 439 HA 0.05 -0.03 0.55 -0.75 4.35 4.17 1ph1A1 LEU 439 HB2 0.04 0.06 0.09 -0.04 1.64 1.79 1ph1A1 LEU 439 HB3 0.04 0.13 0.00 -0.04 1.64 1.77 1ph1A1 LEU 439 HG 0.04 -0.04 -0.04 -0.04 1.64 1.56 1ph1A1 LEU 439 HD13 0.03 0.01 -0.05 -0.04 0.93 0.89 1ph1A1 LEU 439 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.81 1ph1A1 GLY 440 H 0.07 -0.03 0.34 -0.55 8.43 8.25 1ph1A1 GLY 440 HA2 0.09 -0.07 0.32 -0.51 4.01 3.84 1ph1A1 GLY 440 HA3 0.03 0.22 0.38 -0.51 4.01 4.13 1ph1A1 ALA 441 H 0.09 0.37 -0.24 -0.55 8.40 8.07 1ph1A1 ALA 441 HA 0.20 0.06 0.33 -0.75 4.34 4.18 1ph1A1 ALA 441 HB3 0.12 0.01 0.07 -0.04 1.41 1.57 1ph1A1 ASN 442 H 0.09 0.05 -0.24 -0.55 8.53 7.89 1ph1A1 ASN 442 HA 0.13 0.19 0.77 -0.75 4.76 5.09 1ph1A1 ASN 442 HB2 0.05 0.01 -0.01 -0.04 2.88 2.89 1ph1A1 ASN 442 HB3 0.05 0.03 0.10 -0.04 2.79 2.93 1ph1A1 ASN 442 HD21 0.06 0.04 -0.04 -0.04 7.03 7.05 1ph1A1 ASN 442 HD22 0.05 -0.01 -0.02 -0.04 7.74 7.72 1ph1A1 PHE 443 H 0.11 0.42 -0.36 -0.55 8.34 7.96 1ph1A1 PHE 443 HA -0.14 0.24 0.52 -0.75 4.62 4.49 1ph1A1 PHE 443 HB2 -0.21 0.03 0.15 -0.04 3.15 3.07 1ph1A1 PHE 443 HB3 -0.59 -0.02 0.09 -0.04 3.06 2.49 1ph1A1 PHE 443 HD2 -1.16 0.05 -0.18 -0.04 7.28 5.95 1ph1A1 PHE 443 HE2 -0.19 0.01 -0.18 -0.04 7.38 6.98 1ph1A1 PHE 443 HZ -0.18 0.00 -0.17 -0.04 7.32 6.94 1ph1A1 PHE 444 H 0.04 0.15 -0.20 -0.55 8.34 7.77 1ph1A1 PHE 444 HA -0.06 0.16 0.67 -0.75 4.62 4.64 1ph1A1 PHE 444 HB2 0.02 0.04 -0.00 -0.04 3.15 3.17 1ph1A1 PHE 444 HB3 0.12 0.04 0.06 -0.04 3.06 3.24 1ph1A1 PHE 444 HD2 -0.36 0.03 -0.01 -0.04 7.28 6.90 1ph1A1 PHE 444 HE2 -0.00 0.02 -0.07 -0.04 7.38 7.28 1ph1A1 PHE 444 HZ -0.17 0.01 -0.09 -0.04 7.32 7.03 1ph1A1 ASN 445 H 0.06 0.42 -0.42 -0.55 8.53 8.04 1ph1A1 ASN 445 HA 0.06 0.00 0.25 -0.75 4.76 4.32 1ph1A1 ASN 445 HB2 0.06 0.24 -0.02 -0.04 2.88 3.12 1ph1A1 ASN 445 HB3 0.04 -0.06 0.20 -0.04 2.79 2.93 1ph1A1 ASN 445 HD21 -0.08 0.43 -0.07 -0.04 7.03 7.27 1ph1A1 ASN 445 HD22 -0.02 -0.06 -0.20 -0.04 7.74 7.42 1ph1A1 VAL 446 H 0.23 0.07 -0.48 -0.55 8.24 7.51 1ph1A1 VAL 446 HA 0.14 0.12 0.68 -0.75 4.13 4.31 1ph1A1 VAL 446 HB 0.33 -0.09 -0.08 -0.04 2.12 2.25 1ph1A1 VAL 446 HG13 0.17 0.03 -0.18 -0.04 0.97 0.94 1ph1A1 VAL 446 HG23 0.14 0.11 -0.28 -0.04 0.95 0.88 1ph1A1 LYS 447 H 0.13 0.12 0.00 -0.55 8.42 8.12 1ph1A1 LYS 447 HA 0.23 0.07 0.43 -0.75 4.32 4.30 1ph1A1 LYS 447 HB2 0.10 -0.02 0.07 -0.04 1.87 1.98 1ph1A1 LYS 447 HB3 0.08 0.01 0.03 -0.04 1.79 1.86 1ph1A1 LYS 447 HG2 0.08 0.11 -0.02 -0.04 1.46 1.58 1ph1A1 LYS 447 HG3 0.11 -0.03 0.05 -0.04 1.46 1.54 1ph1A1 LYS 447 HD2 0.06 -0.02 -0.01 -0.04 1.69 1.68 1ph1A1 LYS 447 HD3 0.05 0.00 -0.02 -0.04 1.68 1.67 1ph1A1 LYS 447 HE2 0.05 0.02 0.00 -0.04 2.99 3.02 1ph1A1 LYS 447 HE3 0.06 -0.01 0.00 -0.04 2.99 3.00 1ph1A1 ALA 448 H 0.17 0.09 0.14 -0.55 8.40 8.25 1ph1A1 ALA 448 HA -0.41 0.05 0.27 -0.75 4.34 3.50 1ph1A1 ALA 448 HB3 -0.22 -0.00 -0.13 -0.04 1.41 1.01 1ph1A1 ASP 449 H -0.21 0.30 0.15 -0.55 8.40 8.09 1ph1A1 ASP 449 HA -0.05 0.07 0.47 -0.75 4.63 4.36 1ph1A1 ASP 449 HB2 -0.01 0.25 -0.39 -0.04 2.71 2.52 1ph1A1 ASP 449 HB3 -0.03 -0.05 -0.17 -0.04 2.70 2.41 1ph1A1 ASN 450 H -0.02 0.19 0.10 -0.55 8.53 8.26 1ph1A1 ASN 450 HA 0.01 0.12 0.52 -0.75 4.76 4.66 1ph1A1 ASN 450 HB2 0.01 0.08 0.13 -0.04 2.88 3.07 1ph1A1 ASN 450 HB3 0.01 -0.01 0.24 -0.04 2.79 2.98 1ph1A1 ASN 450 HD21 0.03 0.09 0.01 -0.04 7.03 7.12 1ph1A1 ASN 450 HD22 0.02 0.07 -0.00 -0.04 7.74 7.78 1ph1A1 LEU 451 H -0.09 0.34 0.35 -0.55 8.37 8.42 1ph1A1 LEU 451 HA -0.10 0.08 0.43 -0.75 4.35 4.01 1ph1A1 LEU 451 HB2 -0.29 0.16 0.22 -0.04 1.64 1.69 1ph1A1 LEU 451 HB3 -0.21 -0.04 0.12 -0.04 1.64 1.47 1ph1A1 LEU 451 HG -0.12 0.13 0.21 -0.04 1.64 1.82 1ph1A1 LEU 451 HD13 -0.10 -0.01 0.03 -0.04 0.93 0.81 1ph1A1 LEU 451 HD23 -0.07 -0.03 -0.21 -0.04 0.89 0.54 1ph1A1 HIS 452 H 0.03 0.02 -0.34 -0.55 8.41 7.57 1ph1A1 HIS 452 HA -0.04 0.14 0.58 -0.75 4.63 4.55 1ph1A1 HIS 452 HB2 -0.03 -0.02 0.03 -0.04 3.26 3.21 1ph1A1 HIS 452 HB3 -0.03 0.05 0.10 -0.04 3.20 3.28 1ph1A1 HIS 452 HD2 -0.03 0.01 0.01 -0.04 6.97 6.92 1ph1A1 HIS 452 HE1 -0.02 -0.09 -0.06 -0.04 7.75 7.54 1ph1A1 LYS 453 H 0.03 0.14 -0.25 -0.55 8.42 7.79 1ph1A1 LYS 453 HA 0.02 0.25 0.93 -0.75 4.32 4.77 1ph1A1 LYS 453 HB2 0.01 -0.01 0.07 -0.04 1.87 1.91 1ph1A1 LYS 453 HB3 0.01 0.01 0.02 -0.04 1.79 1.79 1ph1A1 LYS 453 HG2 0.02 0.08 -0.08 -0.04 1.46 1.44 1ph1A1 LYS 453 HG3 0.05 -0.12 -0.22 -0.04 1.46 1.13 1ph1A1 LYS 453 HD2 0.01 0.02 -0.05 -0.04 1.69 1.63 1ph1A1 LYS 453 HD3 0.01 -0.05 -0.01 -0.04 1.68 1.59 1ph1A1 LYS 453 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 1ph1A1 LYS 453 HE3 0.00 0.03 -0.01 -0.04 2.99 2.96 1ph1A1 ASN 454 H -0.01 0.48 0.11 -0.55 8.53 8.56 1ph1A1 ASN 454 HA -0.01 0.14 0.74 -0.75 4.76 4.88 1ph1A1 ASN 454 HB2 -0.01 0.05 0.07 -0.04 2.88 2.95 1ph1A1 ASN 454 HB3 -0.02 0.02 0.11 -0.04 2.79 2.86 1ph1A1 ASN 454 HD21 0.01 0.05 -0.02 -0.04 7.03 7.03 1ph1A1 ASN 454 HD22 0.00 0.05 -0.01 -0.04 7.74 7.74 1ph1A1 ALA 455 H -0.01 0.38 0.09 -0.55 8.40 8.30 1ph1A1 ALA 455 HA -0.04 0.11 0.28 -0.75 4.34 3.93 1ph1A1 ALA 455 HB3 -0.02 0.04 0.06 -0.04 1.41 1.45 1ph1A1 ASP 456 H -0.01 0.10 -0.16 -0.55 8.40 7.78 1ph1A1 ASP 456 HA -0.01 0.10 0.38 -0.75 4.63 4.35 1ph1A1 ASP 456 HB2 0.00 -0.04 0.05 -0.04 2.71 2.68 1ph1A1 ASP 456 HB3 0.01 0.08 -0.00 -0.04 2.70 2.74 1ph1A1 ALA 457 H -0.01 0.09 -0.25 -0.55 8.40 7.68 1ph1A1 ALA 457 HA 0.02 0.09 0.36 -0.75 4.34 4.06 1ph1A1 ALA 457 HB3 0.01 0.04 -0.01 -0.04 1.41 1.40 1ph1A1 ARG 458 H -0.06 0.49 -0.15 -0.55 8.46 8.20 1ph1A1 ARG 458 HA -0.15 0.02 0.36 -0.75 4.34 3.81 1ph1A1 ARG 458 HB2 -0.12 0.12 0.11 -0.04 1.90 1.97 1ph1A1 ARG 458 HB3 -0.09 0.07 0.11 -0.04 1.80 1.86 1ph1A1 ARG 458 HG2 -0.14 -0.02 -0.27 -0.04 1.67 1.20 1ph1A1 ARG 458 HG3 -0.22 -0.10 -0.02 -0.04 1.67 1.29 1ph1A1 ARG 458 HD2 -0.14 -0.10 -0.03 -0.04 3.22 2.91 1ph1A1 ARG 458 HD3 -0.14 0.28 0.03 -0.04 3.22 3.35 1ph1A1 LYS 459 H -0.05 0.57 -0.17 -0.55 8.42 8.21 1ph1A1 LYS 459 HA -0.07 0.01 0.48 -0.75 4.32 3.99 1ph1A1 LYS 459 HB2 -0.04 0.02 0.11 -0.04 1.87 1.92 1ph1A1 LYS 459 HB3 -0.02 0.11 0.16 -0.04 1.79 2.00 1ph1A1 LYS 459 HG2 -0.02 -0.01 -0.01 -0.04 1.46 1.39 1ph1A1 LYS 459 HG3 -0.02 0.01 -0.16 -0.04 1.46 1.25 1ph1A1 LYS 459 HD2 -0.04 -0.06 0.11 -0.04 1.69 1.66 1ph1A1 LYS 459 HD3 -0.03 -0.00 0.02 -0.04 1.68 1.63 1ph1A1 LYS 459 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1ph1A1 LYS 459 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.93 1ph1A1 LYS 460 H -0.02 0.48 -0.09 -0.55 8.42 8.24 1ph1A1 LYS 460 HA 0.01 0.04 0.40 -0.75 4.32 4.02 1ph1A1 LYS 460 HB2 0.02 0.05 0.14 -0.04 1.87 2.04 1ph1A1 LYS 460 HB3 0.04 0.05 0.05 -0.04 1.79 1.90 1ph1A1 LYS 460 HG2 0.07 0.02 -0.00 -0.04 1.46 1.51 1ph1A1 LYS 460 HG3 0.04 -0.03 0.06 -0.04 1.46 1.50 1ph1A1 LYS 460 HD2 0.04 -0.06 0.00 -0.04 1.69 1.63 1ph1A1 LYS 460 HD3 0.07 0.01 -0.03 -0.04 1.68 1.68 1ph1A1 LYS 460 HE2 0.07 0.06 -0.02 -0.04 2.99 3.06 1ph1A1 LYS 460 HE3 0.05 -0.03 -0.01 -0.04 2.99 2.96 1ph1A1 LEU 461 H -0.08 0.40 -0.33 -0.55 8.37 7.82 1ph1A1 LEU 461 HA -0.05 0.07 0.53 -0.75 4.35 4.14 1ph1A1 LEU 461 HB2 -0.29 0.08 0.11 -0.04 1.64 1.51 1ph1A1 LEU 461 HB3 -0.50 -0.05 0.01 -0.04 1.64 1.06 1ph1A1 LEU 461 HG 0.00 0.14 -0.00 -0.04 1.64 1.74 1ph1A1 LEU 461 HD13 0.12 -0.03 -0.11 -0.04 0.93 0.88 1ph1A1 LEU 461 HD23 -0.26 -0.00 -0.05 -0.04 0.89 0.54 1ph1A1 GLU 462 H -0.18 0.56 -0.04 -0.55 8.60 8.40 1ph1A1 GLU 462 HA -0.25 -0.01 0.47 -0.75 4.29 3.75 1ph1A1 GLU 462 HB2 -0.10 0.10 0.24 -0.04 2.09 2.29 1ph1A1 GLU 462 HB3 -0.10 -0.04 0.05 -0.04 1.99 1.86 1ph1A1 GLU 462 HG2 -0.24 -0.11 0.08 -0.04 2.34 2.03 1ph1A1 GLU 462 HG3 -0.23 0.33 0.13 -0.04 2.34 2.53 1ph1A1 ASP 463 H -0.03 0.66 -0.11 -0.55 8.40 8.38 1ph1A1 ASP 463 HA 0.01 0.01 0.38 -0.75 4.63 4.27 1ph1A1 ASP 463 HB2 0.03 0.10 0.12 -0.04 2.71 2.92 1ph1A1 ASP 463 HB3 0.03 -0.01 0.02 -0.04 2.70 2.70 1ph1A1 SER 464 H 0.07 0.38 -0.32 -0.55 8.46 8.05 1ph1A1 SER 464 HA 0.14 0.01 0.44 -0.75 4.49 4.34 1ph1A1 SER 464 HB2 0.28 0.09 0.17 -0.04 3.95 4.45 1ph1A1 SER 464 HB3 0.42 -0.10 0.04 -0.04 3.93 4.26 1ph1A1 ALA 465 H 0.14 0.51 -0.28 -0.55 8.40 8.22 1ph1A1 ALA 465 HA 0.45 -0.03 0.38 -0.75 4.34 4.39 1ph1A1 ALA 465 HB3 0.19 0.04 0.11 -0.04 1.41 1.71 1ph1A1 GLU 466 H 0.08 0.43 -0.09 -0.55 8.60 8.47 1ph1A1 GLU 466 HA 0.07 0.02 0.44 -0.75 4.29 4.07 1ph1A1 GLU 466 HB2 0.03 0.12 0.13 -0.04 2.09 2.34 1ph1A1 GLU 466 HB3 0.03 0.00 0.03 -0.04 1.99 2.01 1ph1A1 GLU 466 HG2 0.03 -0.04 0.03 -0.04 2.34 2.32 1ph1A1 GLU 466 HG3 0.02 0.10 0.07 -0.04 2.34 2.49 1ph1A1 LEU 467 H 0.08 0.37 -0.25 -0.55 8.37 8.02 1ph1A1 LEU 467 HA -0.00 0.07 0.41 -0.75 4.35 4.08 1ph1A1 LEU 467 HB2 0.06 0.13 0.20 -0.04 1.64 1.99 1ph1A1 LEU 467 HB3 0.03 -0.03 -0.00 -0.04 1.64 1.59 1ph1A1 LEU 467 HG -0.07 -0.00 0.05 -0.04 1.64 1.57 1ph1A1 LEU 467 HD13 -0.01 0.02 0.01 -0.04 0.93 0.91 1ph1A1 LEU 467 HD23 -0.00 -0.02 0.00 -0.04 0.89 0.82 1ph1A1 LEU 468 H 0.12 0.51 -0.12 -0.55 8.37 8.33 1ph1A1 LEU 468 HA -0.00 0.00 0.44 -0.75 4.35 4.04 1ph1A1 LEU 468 HB2 0.19 0.10 0.09 -0.04 1.64 1.98 1ph1A1 LEU 468 HB3 0.00 -0.11 -0.06 -0.04 1.64 1.43 1ph1A1 LEU 468 HG 0.15 0.07 0.02 -0.04 1.64 1.84 1ph1A1 LEU 468 HD13 0.40 -0.03 -0.14 -0.04 0.93 1.13 1ph1A1 LEU 468 HD23 -0.03 -0.03 -0.08 -0.04 0.89 0.71 1ph1A1 THR 469 H 0.09 0.39 -0.23 -0.55 8.28 7.98 1ph1A1 THR 469 HA 0.07 0.30 0.62 -0.75 4.39 4.63 1ph1A1 THR 469 HB 0.08 -0.02 0.08 -0.04 4.32 4.43 1ph1A1 THR 469 HG23 0.14 -0.03 -0.18 -0.04 1.22 1.11 1ph1A1 LYS 470 H 0.01 0.21 -0.46 -0.55 8.42 7.62 1ph1A1 LYS 470 HA 0.03 -0.05 0.52 -0.75 4.32 4.06 1ph1A1 LYS 470 HB2 -0.00 0.19 0.18 -0.04 1.87 2.20 1ph1A1 LYS 470 HB3 -0.05 0.08 0.14 -0.04 1.79 1.91 1ph1A1 LYS 470 HG2 -0.02 0.10 -0.05 -0.04 1.46 1.46 1ph1A1 LYS 470 HG3 0.02 -0.07 0.11 -0.04 1.46 1.48 1ph1A1 LYS 470 HD2 -0.02 -0.05 -0.00 -0.04 1.69 1.58 1ph1A1 LYS 470 HD3 -0.06 -0.04 -0.01 -0.04 1.68 1.53 1ph1A1 LYS 470 HE2 -0.01 -0.13 -0.07 -0.04 2.99 2.74 1ph1A1 LYS 470 HE3 0.00 0.02 0.00 -0.04 2.99 2.97 1ph1A1 PHE 471 H 0.12 0.07 0.22 -0.55 8.34 8.20 1ph1A1 PHE 471 HA -0.16 0.04 0.42 -0.75 4.62 4.17 1ph1A1 PHE 471 HB2 -0.08 0.01 0.16 -0.04 3.15 3.21 1ph1A1 PHE 471 HB3 -0.07 -0.01 0.15 -0.04 3.06 3.09 1ph1A1 PHE 471 HD2 -0.12 -0.02 -0.04 -0.04 7.28 7.06 1ph1A1 PHE 471 HE2 -0.08 0.00 -0.07 -0.04 7.38 7.20 1ph1A1 PHE 471 HZ -0.02 -0.04 -0.05 -0.04 7.32 7.16 1ph1A1 ASN 472 H -1.16 0.07 0.18 -0.55 8.53 7.07 1ph1A1 ASN 472 HA -0.77 -0.08 0.29 -0.75 4.76 3.45 1ph1A1 ASN 472 HB2 -1.04 0.07 -0.38 -0.04 2.88 1.48 1ph1A1 ASN 472 HB3 -0.39 0.12 0.11 -0.04 2.79 2.59 1ph1A1 ASN 472 HD21 -0.05 -0.06 -0.31 -0.04 7.03 6.57 1ph1A1 ASN 472 HD22 -0.09 0.57 -0.11 -0.04 7.74 8.08 1ph1A1 SER 473 H -0.45 0.47 -0.20 -0.55 8.46 7.73 1ph1A1 SER 473 HA -0.19 0.11 0.92 -0.75 4.49 4.57 1ph1A1 SER 473 HB2 -0.18 0.25 0.18 -0.04 3.95 4.16 1ph1A1 SER 473 HB3 -0.14 -0.14 0.09 -0.04 3.93 3.70 1ph1A1 TYR 474 H 0.00 0.62 0.45 -0.55 8.29 8.81 1ph1A1 TYR 474 HA -0.00 0.25 1.02 -0.75 4.56 5.08 1ph1A1 TYR 474 HB2 -0.06 -0.07 -0.09 -0.04 3.06 2.80 1ph1A1 TYR 474 HB3 -0.03 -0.06 0.02 -0.04 2.98 2.88 1ph1A1 TYR 474 HD2 -0.01 -0.02 -0.30 -0.04 7.15 6.79 1ph1A1 TYR 474 HE2 -0.05 -0.01 -0.11 -0.04 6.85 6.65 1ph1A1 VAL 475 H -0.17 0.74 0.41 -0.55 8.24 8.67 1ph1A1 VAL 475 HA -0.14 0.07 0.94 -0.75 4.13 4.25 1ph1A1 VAL 475 HB -1.15 0.00 0.01 -0.04 2.12 0.94 1ph1A1 VAL 475 HG13 -0.19 -0.01 -0.34 -0.04 0.97 0.39 1ph1A1 VAL 475 HG23 -0.11 0.01 -0.20 -0.04 0.95 0.62 1ph1A1 ASP 476 H -0.10 0.18 0.06 -0.55 8.40 7.99 1ph1A1 ASP 476 HA -0.12 0.18 0.88 -0.75 4.63 4.81 1ph1A1 ASP 476 HB2 -0.03 -0.03 0.01 -0.04 2.71 2.62 1ph1A1 ASP 476 HB3 -0.03 0.09 0.07 -0.04 2.70 2.78 1ph1A1 ALA 477 H -0.09 0.69 0.24 -0.55 8.40 8.69 1ph1A1 ALA 477 HA 0.02 0.16 0.82 -0.75 4.34 4.59 1ph1A1 ALA 477 HB3 0.07 0.01 -0.22 -0.04 1.41 1.22 1ph1A1 VAL 478 H 0.03 0.22 0.18 -0.55 8.24 8.13 1ph1A1 VAL 478 HA -0.03 0.35 1.12 -0.75 4.13 4.82 1ph1A1 VAL 478 HB -0.07 0.12 0.20 -0.04 2.12 2.32 1ph1A1 VAL 478 HG13 -0.38 -0.01 -0.13 -0.04 0.97 0.41 1ph1A1 VAL 478 HG23 -0.22 -0.02 -0.08 -0.04 0.95 0.59 1ph1A1 VAL 479 H 0.06 0.76 0.35 -0.55 8.24 8.86 1ph1A1 VAL 479 HA 0.08 0.30 1.03 -0.75 4.13 4.79 1ph1A1 VAL 479 HB 0.21 -0.06 -0.17 -0.04 2.12 2.06 1ph1A1 VAL 479 HG13 0.11 -0.02 -0.47 -0.04 0.97 0.55 1ph1A1 VAL 479 HG23 0.05 0.00 -0.21 -0.04 0.95 0.75 1ph1A1 GLU 480 H 0.11 0.49 0.31 -0.55 8.60 8.98 1ph1A1 GLU 480 HA 0.12 0.40 1.20 -0.75 4.29 5.26 1ph1A1 GLU 480 HB2 0.04 -0.06 -0.03 -0.04 2.09 2.00 1ph1A1 GLU 480 HB3 0.05 -0.06 0.10 -0.04 1.99 2.04 1ph1A1 GLU 480 HG2 0.03 0.11 -0.13 -0.04 2.34 2.32 1ph1A1 GLU 480 HG3 0.02 0.03 0.02 -0.04 2.34 2.37 1ph1A1 ARG 481 H 0.14 0.73 0.34 -0.55 8.46 9.11 1ph1A1 ARG 481 HA -0.20 0.30 0.84 -0.75 4.34 4.52 1ph1A1 ARG 481 HB2 0.05 -0.02 0.01 -0.04 1.90 1.91 1ph1A1 ARG 481 HB3 0.06 0.02 0.24 -0.04 1.80 2.09 1ph1A1 ARG 481 HG2 -0.19 -0.13 -0.30 -0.04 1.67 1.00 1ph1A1 ARG 481 HG3 -0.59 0.00 -0.14 -0.04 1.67 0.90 1ph1A1 ARG 481 HD2 -0.16 0.03 -0.06 -0.04 3.22 2.98 1ph1A1 ARG 481 HD3 -0.00 0.12 0.02 -0.04 3.22 3.31 1ph1A1 ARG 482 H -0.12 0.77 0.35 -0.55 8.46 8.91 1ph1A1 ARG 482 HA -0.04 0.14 0.89 -0.75 4.34 4.57 1ph1A1 ARG 482 HB2 -0.01 0.01 0.05 -0.04 1.90 1.91 1ph1A1 ARG 482 HB3 0.01 -0.01 -0.05 -0.04 1.80 1.70 1ph1A1 ARG 482 HG2 -0.00 0.02 0.02 -0.04 1.67 1.67 1ph1A1 ARG 482 HG3 0.00 0.03 -0.33 -0.04 1.67 1.33 1ph1A1 ARG 482 HD2 0.01 -0.03 -0.06 -0.04 3.22 3.11 1ph1A1 ARG 482 HD3 0.02 -0.01 -0.03 -0.04 3.22 3.15 1ph1A1 ASN 483 H -0.05 0.19 0.11 -0.55 8.53 8.23 1ph1A1 ASN 483 HA -0.08 0.04 0.34 -0.75 4.76 4.31 1ph1A1 ASN 483 HB2 0.01 -0.02 0.00 -0.04 2.88 2.83 1ph1A1 ASN 483 HB3 0.07 0.09 -0.04 -0.04 2.79 2.87 1ph1A1 ASN 483 HD21 0.05 -0.00 0.03 -0.04 7.03 7.06 1ph1A1 ASN 483 HD22 0.08 -0.01 0.02 -0.04 7.74 7.79 1ph1A1 GLY 484 H -0.23 0.07 -0.24 -0.55 8.43 7.48 1ph1A1 GLY 484 HA2 -0.39 0.01 0.24 -0.51 4.01 3.36 1ph1A1 GLY 484 HA3 -0.52 0.08 0.42 -0.51 4.01 3.49 1ph1A1 PHE 485 H -0.22 0.45 -0.27 -0.55 8.34 7.75 1ph1A1 PHE 485 HA -0.22 0.20 0.91 -0.75 4.62 4.75 1ph1A1 PHE 485 HB2 -0.17 0.09 -0.00 -0.04 3.15 3.03 1ph1A1 PHE 485 HB3 -0.16 -0.07 0.02 -0.04 3.06 2.81 1ph1A1 PHE 485 HD2 -0.06 0.02 0.01 -0.04 7.28 7.20 1ph1A1 PHE 485 HE2 -0.03 -0.04 0.00 -0.04 7.38 7.27 1ph1A1 PHE 485 HZ -0.03 -0.05 -0.01 -0.04 7.32 7.18 1ph1A1 TYR 486 H 0.20 0.23 0.17 -0.55 8.29 8.34 1ph1A1 TYR 486 HA -0.01 0.32 0.88 -0.75 4.56 5.00 1ph1A1 TYR 486 HB2 -0.01 -0.00 0.10 -0.04 3.06 3.10 1ph1A1 TYR 486 HB3 -0.02 -0.03 -0.14 -0.04 2.98 2.76 1ph1A1 TYR 486 HD2 -0.25 0.01 -0.21 -0.04 7.15 6.66 1ph1A1 TYR 486 HE2 -0.77 0.07 -0.17 -0.04 6.85 5.95 1ph1A1 LEU 487 H 0.09 0.58 0.30 -0.55 8.37 8.80 1ph1A1 LEU 487 HA -0.02 0.20 0.99 -0.75 4.35 4.77 1ph1A1 LEU 487 HB2 0.02 -0.02 0.13 -0.04 1.64 1.73 1ph1A1 LEU 487 HB3 -0.00 0.04 -0.00 -0.04 1.64 1.64 1ph1A1 LEU 487 HG -0.02 0.08 -0.08 -0.04 1.64 1.58 1ph1A1 LEU 487 HD13 0.01 0.01 -0.00 -0.04 0.93 0.90 1ph1A1 LEU 487 HD23 -0.19 -0.02 -0.18 -0.04 0.89 0.46 1ph1A1 ILE 488 H -0.02 0.82 0.37 -0.55 8.25 8.87 1ph1A1 ILE 488 HA 0.06 0.14 0.47 -0.75 4.18 4.10 1ph1A1 ILE 488 HB -0.14 -0.07 0.12 -0.04 1.89 1.76 1ph1A1 ILE 488 HG12 -0.00 0.23 -0.06 -0.04 1.49 1.62 1ph1A1 ILE 488 HG13 -0.15 -0.04 -0.13 -0.04 1.21 0.85 1ph1A1 ILE 488 HG23 0.03 -0.03 -0.11 -0.04 0.93 0.78 1ph1A1 ILE 488 HD13 0.18 -0.02 -0.20 -0.04 0.88 0.80 1ph1A1 LYS 489 H 0.06 0.79 0.40 -0.55 8.42 9.11 1ph1A1 LYS 489 HA 0.06 -0.12 0.67 -0.75 4.32 4.18 1ph1A1 LYS 489 HB2 0.06 -0.11 0.13 -0.04 1.87 1.91 1ph1A1 LYS 489 HB3 0.05 0.12 -0.23 -0.04 1.79 1.68 1ph1A1 LYS 489 HG2 0.03 0.07 -0.23 -0.04 1.46 1.29 1ph1A1 LYS 489 HG3 0.04 -0.01 -0.30 -0.04 1.46 1.14 1ph1A1 LYS 489 HD2 0.06 -0.04 -0.08 -0.04 1.69 1.59 1ph1A1 LYS 489 HD3 0.04 0.02 -0.11 -0.04 1.68 1.59 1ph1A1 LYS 489 HE2 0.00 0.06 -0.25 -0.04 2.99 2.77 1ph1A1 LYS 489 HE3 -0.01 -0.01 -0.15 -0.04 2.99 2.78 1ph1A1 ASP 490 H 0.08 0.04 0.21 -0.55 8.40 8.19 1ph1A1 ASP 490 HA 0.09 0.02 0.37 -0.75 4.63 4.34 1ph1A1 ASP 490 HB2 0.18 0.19 0.02 -0.04 2.71 3.05 1ph1A1 ASP 490 HB3 0.20 -0.09 0.26 -0.04 2.70 3.03 1ph1A1 THR 491 H 0.11 0.06 -0.17 -0.55 8.28 7.73 1ph1A1 THR 491 HA 0.05 0.30 1.02 -0.75 4.39 5.01 1ph1A1 THR 491 HB 0.25 -0.10 -0.05 -0.04 4.32 4.38 1ph1A1 THR 491 HG23 0.12 0.02 -0.16 -0.04 1.22 1.16 1ph1A1 LYS 492 H -0.06 0.61 0.30 -0.55 8.42 8.71 1ph1A1 LYS 492 HA -0.39 0.14 0.87 -0.75 4.32 4.18 1ph1A1 LYS 492 HB2 -0.13 0.14 0.11 -0.04 1.87 1.95 1ph1A1 LYS 492 HB3 -0.06 -0.13 -0.26 -0.04 1.79 1.31 1ph1A1 LYS 492 HG2 -0.05 -0.04 -0.04 -0.04 1.46 1.30 1ph1A1 LYS 492 HG3 -0.09 0.13 -0.14 -0.04 1.46 1.32 1ph1A1 LYS 492 HD2 -0.04 0.07 -0.04 -0.04 1.69 1.64 1ph1A1 LYS 492 HD3 -0.02 -0.10 -0.09 -0.04 1.68 1.42 1ph1A1 LYS 492 HE2 -0.02 -0.05 -0.09 -0.04 2.99 2.79 1ph1A1 LYS 492 HE3 -0.04 0.05 -0.06 -0.04 2.99 2.91 1ph1A1 LEU 493 H -0.52 0.60 0.32 -0.55 8.37 8.23 1ph1A1 LEU 493 HA -0.26 0.16 0.60 -0.75 4.35 4.10 1ph1A1 LEU 493 HB2 -0.33 0.22 0.27 -0.04 1.64 1.76 1ph1A1 LEU 493 HB3 -0.10 -0.09 -0.00 -0.04 1.64 1.41 1ph1A1 LEU 493 HG -0.01 -0.09 0.08 -0.04 1.64 1.57 1ph1A1 LEU 493 HD13 -0.32 0.03 -0.06 -0.04 0.93 0.54 1ph1A1 LEU 493 HD23 0.06 0.02 0.01 -0.04 0.89 0.94 1ph1A1 ILE 494 H -0.05 0.59 0.37 -0.55 8.25 8.61 1ph1A1 ILE 494 HA -0.17 0.22 0.91 -0.75 4.18 4.39 1ph1A1 ILE 494 HB -0.38 -0.04 0.12 -0.04 1.89 1.55 1ph1A1 ILE 494 HG12 -0.08 0.13 -0.25 -0.04 1.49 1.26 1ph1A1 ILE 494 HG13 -0.45 -0.03 -0.16 -0.04 1.21 0.53 1ph1A1 ILE 494 HG23 -0.12 0.01 -0.15 -0.04 0.93 0.62 1ph1A1 ILE 494 HD13 -0.21 0.03 -0.12 -0.04 0.88 0.54 1ph1A1 TYR 495 H 0.04 0.03 -0.00 -0.55 8.29 7.81 1ph1A1 TYR 495 HA -0.05 0.22 0.61 -0.75 4.56 4.59 1ph1A1 TYR 495 HB2 -0.05 0.01 0.05 -0.04 3.06 3.03 1ph1A1 TYR 495 HB3 -0.04 0.04 0.03 -0.04 2.98 2.98 1ph1A1 TYR 495 HD2 -0.08 -0.01 -0.04 -0.04 7.15 6.98 1ph1A1 TYR 495 HE2 -0.14 0.08 -0.09 -0.04 6.85 6.66