============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 2 1.000 -1.353 47.123 -24.092 -99.200 -91.000 HIS 5 0.900 0.092 40.221 -29.348 -99.200 -91.000 PHE 6 1.000 0.045 35.333 -23.849 -99.200 -91.000 HIS 8 0.900 5.661 28.452 -30.943 -99.200 -91.000 PHE 9 1.000 -4.036 32.522 -28.732 -99.200 -91.000 HIS 15 0.900 -2.065 23.066 -37.954 -99.200 -91.000 TRP 23 1.040 -10.092 12.822 -36.986 -99.200 -91.000 TRP6 23 1.020 -10.765 12.740 -34.707 -99.200 -91.000 PHE 38 1.000 -19.207 6.306 -27.617 -99.200 -91.000 TYR 60 0.840 -4.705 17.747 -17.014 -99.200 -91.000 PHE 64 1.000 -17.633 22.282 -16.768 -99.200 -91.000 HIS 76 0.900 -22.503 21.652 -7.065 -99.200 -91.000 TYR 91 0.840 -23.351 37.222 -16.431 -99.200 -91.000 TYR 97 0.840 -24.052 28.993 -8.133 -99.200 -91.000 PHE 98 1.000 -20.013 32.678 -6.738 -99.200 -91.000 PHE 105 1.000 -28.559 23.977 -2.064 -99.200 -91.000 PHE 111 1.000 -21.197 39.185 -3.416 -99.200 -91.000 TRP 132 1.040 -15.850 33.927 -9.844 -99.200 -91.000 TRP6 132 1.020 -16.114 31.740 -10.686 -99.200 -91.000 HIS 151 0.900 3.210 35.976 -6.147 -99.200 -91.000 HIS 154 0.900 -2.248 30.428 -5.199 -99.200 -91.000 HIS 156 0.900 -0.843 32.337 5.806 -99.200 -91.000 PHE 167 1.000 -16.120 41.843 -20.102 -99.200 -91.000 TYR 171 0.840 -4.295 37.408 -29.823 -99.200 -91.000 PHE 172 1.000 -6.187 41.068 -27.038 -99.200 -91.000 TYR 185 0.840 -11.223 31.430 -21.108 -99.200 -91.000 TYR 190 0.840 -14.526 39.609 -26.696 -99.200 -91.000 HIS 194 0.900 -17.565 33.161 -35.537 -99.200 -91.000 HIS 210 0.900 -8.024 17.007 -15.611 -99.200 -91.000 PHE 215 1.000 -17.051 12.462 -8.531 -99.200 -91.000 TYR 230 0.840 -17.486 21.538 -36.795 -99.200 -91.000 HIS 240 0.900 -5.360 33.832 -35.542 -99.200 -91.000 HIS 246 0.900 -14.112 41.648 -31.362 -99.200 -91.000 PHE 247 1.000 -5.296 46.711 -28.308 -99.200 -91.000 PHE 256 1.000 -16.782 59.752 -31.921 -99.200 -91.000 TRP 262 1.040 -22.859 65.942 -27.590 -99.200 -91.000 TRP6 262 1.020 -23.536 68.032 -26.713 -99.200 -91.000 TYR 268 0.840 -10.505 50.006 -24.689 -99.200 -91.000 HIS 274 0.900 -8.908 51.012 -16.412 -99.200 -91.000 HIS 277 0.900 -2.812 52.384 -20.478 -99.200 -91.000 PHE 293 1.000 -20.891 55.824 -23.830 -99.200 -91.000 TYR 294 0.840 -20.343 56.030 -15.419 -99.200 -91.000 HIS 301 0.900 -30.071 63.999 -21.423 -99.200 -91.000 PHE 305 1.000 -25.404 56.123 -27.272 -99.200 -91.000 PHE 312 1.000 -21.591 50.402 -31.477 -99.200 -91.000 PHE 321 1.000 -21.037 37.539 -36.226 -99.200 -91.000 HIS 333 0.900 -24.030 43.303 -14.912 -99.200 -91.000 HIS 375 0.900 -26.607 65.540 -24.161 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nmpA1 GLY 10 HA2 -0.02 -0.05 0.13 -0.51 4.01 3.56 2nmpA1 GLY 10 HA3 -0.08 -0.09 0.14 -0.51 4.01 3.46 2nmpA1 PHE 11 H 0.29 0.12 0.07 -0.55 8.34 8.27 2nmpA1 PHE 11 HA -0.12 0.13 0.73 -0.75 4.62 4.60 2nmpA1 PHE 11 HB2 -0.13 -0.04 0.05 -0.04 3.15 2.98 2nmpA1 PHE 11 HB3 -0.19 0.16 0.15 -0.04 3.06 3.15 2nmpA1 PHE 11 HD2 -0.09 0.16 -0.07 -0.04 7.28 7.24 2nmpA1 PHE 11 HE2 -0.04 -0.03 -0.17 -0.04 7.38 7.10 2nmpA1 PHE 11 HZ 0.08 -0.04 -0.10 -0.04 7.32 7.22 2nmpA1 LEU 12 H 0.00 0.41 0.20 -0.55 8.37 8.43 2nmpA1 LEU 12 HA -0.05 0.00 0.45 -0.75 4.35 3.99 2nmpA1 LEU 12 HB2 -0.03 0.08 -0.27 -0.04 1.64 1.38 2nmpA1 LEU 12 HB3 -0.16 -0.10 -0.36 -0.04 1.64 0.98 2nmpA1 LEU 12 HG -0.02 0.02 -0.07 -0.04 1.64 1.53 2nmpA1 LEU 12 HD13 -0.00 0.04 0.03 -0.04 0.93 0.95 2nmpA1 LEU 12 HD23 0.08 -0.05 -0.21 -0.04 0.89 0.68 2nmpA1 PRO 13 HA -0.17 0.05 0.48 -0.51 4.44 4.29 2nmpA1 PRO 13 HB2 -0.05 0.02 0.01 -0.04 2.28 2.23 2nmpA1 PRO 13 HB3 -0.04 -0.04 0.11 -0.04 2.02 2.00 2nmpA1 PRO 13 HG2 -0.02 -0.03 0.08 -0.04 2.03 2.01 2nmpA1 PRO 13 HG3 -0.04 0.07 0.09 -0.04 2.03 2.11 2nmpA1 PRO 13 HD2 -0.04 0.04 0.16 -0.04 3.68 3.80 2nmpA1 PRO 13 HD3 -0.04 0.13 0.22 -0.04 3.65 3.92 2nmpA1 HIS 14 H -0.21 0.03 0.16 -0.55 8.41 7.85 2nmpA1 HIS 14 HA -0.53 0.11 0.35 -0.75 4.63 3.81 2nmpA1 HIS 14 HB2 -0.10 -0.07 0.11 -0.04 3.26 3.16 2nmpA1 HIS 14 HB3 -0.17 -0.02 0.02 -0.04 3.20 2.99 2nmpA1 HIS 14 HD2 -0.02 -0.06 0.07 -0.04 6.97 6.91 2nmpA1 HIS 14 HE1 0.04 -0.00 -0.03 -0.04 7.75 7.70 2nmpA1 PHE 15 H -0.33 0.15 0.16 -0.55 8.34 7.76 2nmpA1 PHE 15 HA 0.03 0.09 0.53 -0.75 4.62 4.52 2nmpA1 PHE 15 HB2 0.17 -0.09 0.14 -0.04 3.15 3.33 2nmpA1 PHE 15 HB3 0.12 0.06 0.04 -0.04 3.06 3.24 2nmpA1 PHE 15 HD2 -0.00 -0.01 0.02 -0.04 7.28 7.25 2nmpA1 PHE 15 HE2 -0.00 -0.03 -0.31 -0.04 7.38 6.99 2nmpA1 PHE 15 HZ 0.02 -0.11 -0.19 -0.04 7.32 7.00 2nmpA1 GLN 16 H 0.12 0.16 0.19 -0.55 8.47 8.40 2nmpA1 GLN 16 HA -0.04 -0.02 0.44 -0.75 4.36 3.98 2nmpA1 GLN 16 HB2 -0.06 0.03 0.17 -0.04 2.15 2.26 2nmpA1 GLN 16 HB3 -0.59 -0.01 -0.00 -0.04 2.02 1.38 2nmpA1 GLN 16 HG2 -0.11 -0.02 0.06 -0.04 2.40 2.29 2nmpA1 GLN 16 HG3 -0.05 0.07 0.07 -0.04 2.39 2.45 2nmpA1 GLN 16 HE21 -0.07 -0.01 0.01 -0.04 6.97 6.87 2nmpA1 GLN 16 HE22 -0.10 -0.01 0.02 -0.04 7.69 7.56 2nmpA1 HIS 17 H -0.00 0.11 0.20 -0.55 8.41 8.17 2nmpA1 HIS 17 HA 0.07 -0.05 0.34 -0.75 4.63 4.23 2nmpA1 HIS 17 HB2 0.05 0.34 -0.11 -0.04 3.26 3.49 2nmpA1 HIS 17 HB3 0.02 -0.06 0.12 -0.04 3.20 3.23 2nmpA1 HIS 17 HD2 0.03 -0.03 0.03 -0.04 6.97 6.95 2nmpA1 HIS 17 HE1 0.02 0.02 -0.04 -0.04 7.75 7.71 2nmpA1 PHE 18 H 0.31 0.34 -0.24 -0.55 8.34 8.20 2nmpA1 PHE 18 HA 0.08 0.16 0.24 -0.75 4.62 4.35 2nmpA1 PHE 18 HB2 0.19 0.22 0.08 -0.04 3.15 3.59 2nmpA1 PHE 18 HB3 0.17 -0.15 0.14 -0.04 3.06 3.18 2nmpA1 PHE 18 HD2 0.12 0.01 -0.14 -0.04 7.28 7.22 2nmpA1 PHE 18 HE2 0.07 0.11 -0.22 -0.04 7.38 7.30 2nmpA1 PHE 18 HZ 0.09 -0.10 -0.16 -0.04 7.32 7.11 2nmpA1 ALA 19 H 0.23 0.12 0.00 -0.55 8.40 8.21 2nmpA1 ALA 19 HA -0.35 0.10 0.49 -0.75 4.34 3.83 2nmpA1 ALA 19 HB3 -0.08 0.01 0.06 -0.04 1.41 1.36 2nmpA1 THR 20 H 0.07 0.07 -0.34 -0.55 8.28 7.53 2nmpA1 THR 20 HA 0.11 0.06 0.28 -0.75 4.39 4.09 2nmpA1 THR 20 HB 0.07 0.13 0.12 -0.04 4.32 4.60 2nmpA1 THR 20 HG23 -0.02 0.00 -0.06 -0.04 1.22 1.10 2nmpA1 GLN 21 H -0.01 0.50 -0.19 -0.55 8.47 8.22 2nmpA1 GLN 21 HA -0.01 -0.03 0.41 -0.75 4.36 3.97 2nmpA1 GLN 21 HB2 -0.13 0.16 0.07 -0.04 2.15 2.21 2nmpA1 GLN 21 HB3 -0.11 -0.03 -0.02 -0.04 2.02 1.81 2nmpA1 GLN 21 HG2 -0.06 -0.08 -0.01 -0.04 2.40 2.21 2nmpA1 GLN 21 HG3 -0.01 0.03 0.05 -0.04 2.39 2.42 2nmpA1 GLN 21 HE21 0.01 0.03 -0.04 -0.04 6.97 6.93 2nmpA1 GLN 21 HE22 -0.07 -0.08 -0.03 -0.04 7.69 7.47 2nmpA1 ALA 22 H -0.17 0.52 -0.03 -0.55 8.40 8.17 2nmpA1 ALA 22 HA -0.17 0.05 0.52 -0.75 4.34 3.99 2nmpA1 ALA 22 HB3 -0.18 0.02 0.10 -0.04 1.41 1.31 2nmpA1 ILE 23 H -0.06 0.22 -0.45 -0.55 8.25 7.41 2nmpA1 ILE 23 HA -0.12 0.11 0.50 -0.75 4.18 3.92 2nmpA1 ILE 23 HB -0.05 0.09 0.16 -0.04 1.89 2.04 2nmpA1 ILE 23 HG12 -0.05 0.01 0.04 -0.04 1.49 1.44 2nmpA1 ILE 23 HG13 -0.08 -0.01 0.01 -0.04 1.21 1.08 2nmpA1 ILE 23 HG23 -0.37 -0.03 -0.04 -0.04 0.93 0.45 2nmpA1 ILE 23 HD13 0.03 -0.03 0.03 -0.04 0.88 0.86 2nmpA1 HIS 24 H 0.05 0.21 0.03 -0.55 8.41 8.17 2nmpA1 HIS 24 HA -0.01 0.27 0.86 -0.75 4.63 5.00 2nmpA1 HIS 24 HB2 -0.04 0.06 0.05 -0.04 3.26 3.29 2nmpA1 HIS 24 HB3 -0.03 -0.11 0.01 -0.04 3.20 3.03 2nmpA1 HIS 24 HD2 -0.02 0.20 0.12 -0.04 6.97 7.22 2nmpA1 HIS 24 HE1 0.01 -0.03 -0.02 -0.04 7.75 7.66 2nmpA1 VAL 25 H 0.00 0.51 0.05 -0.55 8.24 8.25 2nmpA1 VAL 25 HA -0.00 -0.06 0.48 -0.75 4.13 3.80 2nmpA1 VAL 25 HB -0.06 0.23 0.17 -0.04 2.12 2.42 2nmpA1 VAL 25 HG13 -0.05 -0.03 -0.26 -0.04 0.97 0.59 2nmpA1 VAL 25 HG23 -0.05 -0.04 0.05 -0.04 0.95 0.87 2nmpA1 GLY 26 H -0.01 0.09 0.23 -0.55 8.43 8.20 2nmpA1 GLY 26 HA2 0.01 -0.05 0.36 -0.51 4.01 3.82 2nmpA1 GLY 26 HA3 0.03 0.19 0.53 -0.51 4.01 4.25 2nmpA1 GLN 27 H 0.04 0.40 -0.37 -0.55 8.47 7.99 2nmpA1 GLN 27 HA 0.18 0.14 0.61 -0.75 4.36 4.53 2nmpA1 GLN 27 HB2 0.03 -0.01 0.02 -0.04 2.15 2.15 2nmpA1 GLN 27 HB3 0.05 0.06 0.15 -0.04 2.02 2.24 2nmpA1 GLN 27 HG2 0.01 0.12 -0.78 -0.04 2.40 1.71 2nmpA1 GLN 27 HG3 -0.03 0.26 -0.27 -0.04 2.39 2.31 2nmpA1 GLN 27 HE21 0.05 -0.15 -0.20 -0.04 6.97 6.62 2nmpA1 GLN 27 HE22 0.04 0.14 -0.26 -0.04 7.69 7.56 2nmpA1 ASP 28 H -0.00 -0.06 -0.18 -0.55 8.40 7.61 2nmpA1 ASP 28 HA 0.01 0.15 0.44 -0.75 4.63 4.47 2nmpA1 ASP 28 HB2 -0.05 -0.00 0.12 -0.04 2.71 2.73 2nmpA1 ASP 28 HB3 -0.15 -0.04 0.08 -0.04 2.70 2.54 2nmpA1 PRO 29 HA 0.10 0.23 0.27 -0.51 4.44 4.53 2nmpA1 PRO 29 HB2 0.03 -0.06 -0.05 -0.04 2.28 2.15 2nmpA1 PRO 29 HB3 0.11 0.19 -0.26 -0.04 2.02 2.02 2nmpA1 PRO 29 HG2 0.06 -0.04 0.06 -0.04 2.03 2.06 2nmpA1 PRO 29 HG3 0.10 0.20 0.09 -0.04 2.03 2.37 2nmpA1 PRO 29 HD2 0.00 -0.02 0.19 -0.04 3.68 3.81 2nmpA1 PRO 29 HD3 0.06 0.28 0.30 -0.04 3.65 4.25 2nmpA1 GLU 30 H -0.14 0.09 -0.32 -0.55 8.60 7.68 2nmpA1 GLU 30 HA -0.11 0.12 0.42 -0.75 4.29 3.97 2nmpA1 GLU 30 HB2 -0.13 -0.03 -0.01 -0.04 2.09 1.88 2nmpA1 GLU 30 HB3 -0.12 0.02 -0.01 -0.04 1.99 1.83 2nmpA1 GLU 30 HG2 -0.06 -0.01 -0.00 -0.04 2.34 2.23 2nmpA1 GLU 30 HG3 -0.06 0.03 0.02 -0.04 2.34 2.29 2nmpA1 GLN 31 H -0.68 0.41 -0.44 -0.55 8.47 7.21 2nmpA1 GLN 31 HA -0.48 0.03 0.41 -0.75 4.36 3.56 2nmpA1 GLN 31 HB2 -3.05 0.08 -0.05 -0.04 2.15 -0.90 2nmpA1 GLN 31 HB3 -1.64 -0.08 0.02 -0.04 2.02 0.28 2nmpA1 GLN 31 HG2 -0.49 -0.09 -0.02 -0.04 2.40 1.76 2nmpA1 GLN 31 HG3 -0.59 0.18 0.04 -0.04 2.39 1.97 2nmpA1 GLN 31 HE21 0.06 0.33 -0.13 -0.04 6.97 7.19 2nmpA1 GLN 31 HE22 -0.26 0.27 -0.19 -0.04 7.69 7.47 2nmpA1 TRP 32 H -0.44 0.45 -0.28 -0.55 7.97 7.15 2nmpA1 TRP 32 HA 0.01 0.15 0.87 -0.75 4.62 4.90 2nmpA1 TRP 32 HB2 0.01 -0.22 0.03 -0.04 3.23 3.00 2nmpA1 TRP 32 HB3 0.01 -0.04 0.08 -0.04 3.23 3.25 2nmpA1 TRP 32 HD1 0.01 0.06 -0.01 -0.04 7.22 7.25 2nmpA1 TRP 32 HE1 0.02 0.19 -0.30 -0.04 10.20 10.06 2nmpA1 TRP 32 HE3 0.02 0.02 -0.15 -0.04 7.59 7.44 2nmpA1 TRP 32 HZ2 0.02 0.14 -0.06 -0.04 7.44 7.49 2nmpA1 TRP 32 HZ3 0.02 -0.05 -0.03 -0.04 7.13 7.03 2nmpA1 TRP 32 HH2 0.02 0.03 -0.03 -0.04 7.19 7.17 2nmpA1 THR 33 H 0.19 0.15 0.15 -0.55 8.28 8.22 2nmpA1 THR 33 HA 0.07 0.15 0.41 -0.75 4.39 4.27 2nmpA1 THR 33 HB 0.06 0.02 -0.04 -0.04 4.32 4.32 2nmpA1 THR 33 HG23 0.04 0.02 0.05 -0.04 1.22 1.29 2nmpA1 SER 34 H 0.16 0.01 -0.21 -0.55 8.46 7.87 2nmpA1 SER 34 HA 0.06 0.11 0.47 -0.75 4.49 4.38 2nmpA1 SER 34 HB2 0.05 0.04 0.04 -0.04 3.95 4.04 2nmpA1 SER 34 HB3 0.05 -0.02 0.08 -0.04 3.93 4.00 2nmpA1 ARG 35 H 0.19 0.35 -0.38 -0.55 8.46 8.06 2nmpA1 ARG 35 HA 0.13 0.38 0.28 -0.75 4.34 4.38 2nmpA1 ARG 35 HB2 0.06 0.10 0.25 -0.04 1.90 2.27 2nmpA1 ARG 35 HB3 0.05 -0.09 0.10 -0.04 1.80 1.83 2nmpA1 ARG 35 HG2 0.06 0.07 -0.41 -0.04 1.67 1.34 2nmpA1 ARG 35 HG3 0.03 -0.05 -0.12 -0.04 1.67 1.49 2nmpA1 ARG 35 HD2 0.01 -0.07 -0.05 -0.04 3.22 3.06 2nmpA1 ARG 35 HD3 0.01 -0.08 -0.12 -0.04 3.22 2.99 2nmpA1 ALA 36 H 0.26 -0.10 -0.23 -0.55 8.40 7.78 2nmpA1 ALA 36 HA 0.09 -0.00 0.40 -0.75 4.34 4.07 2nmpA1 ALA 36 HB3 0.01 0.00 0.02 -0.04 1.41 1.40 2nmpA1 VAL 37 H 0.08 0.03 0.18 -0.55 8.24 7.98 2nmpA1 VAL 37 HA 0.12 0.13 0.46 -0.75 4.13 4.08 2nmpA1 VAL 37 HB 0.05 -0.08 0.19 -0.04 2.12 2.23 2nmpA1 VAL 37 HG13 0.03 -0.00 -0.10 -0.04 0.97 0.86 2nmpA1 VAL 37 HG23 0.06 0.02 0.06 -0.04 0.95 1.05 2nmpA1 VAL 38 H 0.06 -0.04 -0.04 -0.55 8.24 7.66 2nmpA1 VAL 38 HA 0.08 0.25 0.70 -0.75 4.13 4.40 2nmpA1 VAL 38 HB 0.05 -0.11 -0.02 -0.04 2.12 2.00 2nmpA1 VAL 38 HG13 0.20 0.05 -0.07 -0.04 0.97 1.10 2nmpA1 VAL 38 HG23 0.04 -0.01 -0.03 -0.04 0.95 0.91 2nmpA1 PRO 39 HA -0.57 0.08 0.30 -0.51 4.44 3.74 2nmpA1 PRO 39 HB2 -0.02 -0.02 -0.00 -0.04 2.28 2.20 2nmpA1 PRO 39 HB3 0.01 0.00 0.02 -0.04 2.02 2.01 2nmpA1 PRO 39 HG2 0.17 0.04 0.02 -0.04 2.03 2.22 2nmpA1 PRO 39 HG3 0.38 0.12 -0.01 -0.04 2.03 2.49 2nmpA1 PRO 39 HD2 0.10 0.04 0.11 -0.04 3.68 3.88 2nmpA1 PRO 39 HD3 0.11 0.23 0.20 -0.04 3.65 4.14 2nmpA1 PRO 40 HA -0.30 0.04 0.44 -0.51 4.44 4.10 2nmpA1 PRO 40 HB2 -0.43 -0.05 -0.13 -0.04 2.28 1.63 2nmpA1 PRO 40 HB3 -0.28 0.01 0.04 -0.04 2.02 1.76 2nmpA1 PRO 40 HG2 -0.53 -0.02 0.04 -0.04 2.03 1.48 2nmpA1 PRO 40 HG3 -0.38 0.04 0.07 -0.04 2.03 1.70 2nmpA1 PRO 40 HD2 -2.28 0.08 0.12 -0.04 3.68 1.56 2nmpA1 PRO 40 HD3 -1.24 0.21 0.14 -0.04 3.65 2.72 2nmpA1 ILE 41 H -0.26 0.14 0.11 -0.55 8.25 7.70 2nmpA1 ILE 41 HA -0.12 0.15 0.76 -0.75 4.18 4.22 2nmpA1 ILE 41 HB -0.20 -0.03 0.14 -0.04 1.89 1.76 2nmpA1 ILE 41 HG12 -0.35 0.07 -0.01 -0.04 1.49 1.16 2nmpA1 ILE 41 HG13 -0.52 0.03 -0.03 -0.04 1.21 0.65 2nmpA1 ILE 41 HG23 -0.08 0.00 -0.24 -0.04 0.93 0.57 2nmpA1 ILE 41 HD13 -0.59 -0.01 -0.00 -0.04 0.88 0.24 2nmpA1 SER 42 H -0.07 0.17 -0.02 -0.55 8.46 7.99 2nmpA1 SER 42 HA -0.07 0.15 0.92 -0.75 4.49 4.73 2nmpA1 SER 42 HB2 -0.05 0.06 -0.02 -0.04 3.95 3.90 2nmpA1 SER 42 HB3 0.03 -0.10 0.18 -0.04 3.93 4.00 2nmpA1 LEU 43 H -0.06 0.19 0.16 -0.55 8.37 8.11 2nmpA1 LEU 43 HA -0.03 0.11 0.56 -0.75 4.35 4.24 2nmpA1 LEU 43 HB2 -0.06 0.01 0.12 -0.04 1.64 1.67 2nmpA1 LEU 43 HB3 -0.05 0.02 -0.01 -0.04 1.64 1.56 2nmpA1 LEU 43 HG -0.06 -0.01 -0.15 -0.04 1.64 1.38 2nmpA1 LEU 43 HD13 -0.05 0.01 -0.00 -0.04 0.93 0.84 2nmpA1 LEU 43 HD23 -0.03 0.00 0.02 -0.04 0.89 0.84 2nmpA1 SER 44 H -0.10 -0.02 -0.03 -0.55 8.46 7.77 2nmpA1 SER 44 HA -0.16 -0.01 0.29 -0.75 4.49 3.86 2nmpA1 SER 44 HB2 -0.23 -0.05 0.17 -0.04 3.95 3.80 2nmpA1 SER 44 HB3 -0.55 0.07 0.04 -0.04 3.93 3.44 2nmpA1 THR 45 H -0.19 0.01 0.24 -0.55 8.28 7.79 2nmpA1 THR 45 HA 0.03 0.24 0.86 -0.75 4.39 4.76 2nmpA1 THR 45 HB 0.01 0.02 0.17 -0.04 4.32 4.48 2nmpA1 THR 45 HG23 -0.02 0.02 -0.03 -0.04 1.22 1.15 2nmpA1 THR 46 H -0.39 -0.03 0.17 -0.55 8.28 7.49 2nmpA1 THR 46 HA -0.01 0.27 0.84 -0.75 4.39 4.74 2nmpA1 THR 46 HB -0.14 -0.04 0.00 -0.04 4.32 4.11 2nmpA1 THR 46 HG23 -0.01 0.02 0.02 -0.04 1.22 1.20 2nmpA1 PHE 47 H 0.13 0.28 0.10 -0.55 8.34 8.30 2nmpA1 PHE 47 HA 0.00 0.08 0.81 -0.75 4.62 4.76 2nmpA1 PHE 47 HB2 0.01 0.02 0.06 -0.04 3.15 3.19 2nmpA1 PHE 47 HB3 0.01 0.07 -0.02 -0.04 3.06 3.08 2nmpA1 PHE 47 HD2 0.01 -0.01 -0.17 -0.04 7.28 7.07 2nmpA1 PHE 47 HE2 0.01 0.00 -0.17 -0.04 7.38 7.18 2nmpA1 PHE 47 HZ 0.00 0.03 -0.15 -0.04 7.32 7.16 2nmpA1 LYS 48 H 0.08 0.14 0.11 -0.55 8.42 8.21 2nmpA1 LYS 48 HA 0.04 0.01 0.45 -0.75 4.32 4.07 2nmpA1 LYS 48 HB2 0.02 -0.00 0.10 -0.04 1.87 1.94 2nmpA1 LYS 48 HB3 0.04 0.03 0.16 -0.04 1.79 1.98 2nmpA1 LYS 48 HG2 0.03 -0.02 -0.20 -0.04 1.46 1.22 2nmpA1 LYS 48 HG3 0.02 -0.01 0.02 -0.04 1.46 1.44 2nmpA1 LYS 48 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 2nmpA1 LYS 48 HD3 0.02 0.02 -0.01 -0.04 1.68 1.67 2nmpA1 LYS 48 HE2 0.01 0.02 -0.03 -0.04 2.99 2.95 2nmpA1 LYS 48 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2nmpA1 GLN 49 H 0.04 0.14 0.15 -0.55 8.47 8.26 2nmpA1 GLN 49 HA 0.04 0.24 0.67 -0.75 4.36 4.55 2nmpA1 GLN 49 HB2 0.03 -0.01 0.12 -0.04 2.15 2.25 2nmpA1 GLN 49 HB3 0.02 0.02 0.09 -0.04 2.02 2.11 2nmpA1 GLN 49 HG2 0.04 0.03 -0.02 -0.04 2.40 2.40 2nmpA1 GLN 49 HG3 0.06 0.10 -0.11 -0.04 2.39 2.40 2nmpA1 GLN 49 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.94 2nmpA1 GLN 49 HE22 0.05 0.03 -0.03 -0.04 7.69 7.70 2nmpA1 GLY 64 HA2 -0.04 -0.02 0.16 -0.51 4.01 3.60 2nmpA1 GLY 64 HA3 -0.03 -0.07 0.17 -0.51 4.01 3.56 2nmpA1 ASN 65 H 0.01 0.04 0.13 -0.55 8.53 8.16 2nmpA1 ASN 65 HA 0.02 0.28 0.67 -0.75 4.76 4.98 2nmpA1 ASN 65 HB2 0.15 0.05 0.14 -0.04 2.88 3.17 2nmpA1 ASN 65 HB3 0.12 0.10 0.05 -0.04 2.79 3.03 2nmpA1 ASN 65 HD21 0.03 -0.07 0.07 -0.04 7.03 7.03 2nmpA1 ASN 65 HD22 0.05 0.07 0.08 -0.04 7.74 7.91 2nmpA1 PRO 66 HA 0.16 0.11 0.37 -0.51 4.44 4.57 2nmpA1 PRO 66 HB2 0.08 -0.00 0.05 -0.04 2.28 2.36 2nmpA1 PRO 66 HB3 0.45 0.10 0.08 -0.04 2.02 2.61 2nmpA1 PRO 66 HG2 0.19 0.03 0.09 -0.04 2.03 2.29 2nmpA1 PRO 66 HG3 0.17 0.12 0.09 -0.04 2.03 2.37 2nmpA1 PRO 66 HD2 0.13 0.06 0.21 -0.04 3.68 4.05 2nmpA1 PRO 66 HD3 0.12 0.23 0.26 -0.04 3.65 4.22 2nmpA1 THR 67 H 0.04 0.09 -0.11 -0.55 8.28 7.76 2nmpA1 THR 67 HA 0.04 0.23 0.44 -0.75 4.39 4.35 2nmpA1 THR 67 HB 0.02 -0.04 0.12 -0.04 4.32 4.38 2nmpA1 THR 67 HG23 0.07 0.04 0.03 -0.04 1.22 1.31 2nmpA1 ARG 68 H 0.04 0.11 -0.14 -0.55 8.46 7.91 2nmpA1 ARG 68 HA 0.02 0.03 0.47 -0.75 4.34 4.10 2nmpA1 ARG 68 HB2 0.01 -0.02 0.10 -0.04 1.90 1.95 2nmpA1 ARG 68 HB3 0.01 0.11 0.08 -0.04 1.80 1.96 2nmpA1 ARG 68 HG2 -0.03 -0.03 -0.06 -0.04 1.67 1.51 2nmpA1 ARG 68 HG3 -0.02 -0.05 0.02 -0.04 1.67 1.58 2nmpA1 ARG 68 HD2 -0.08 0.03 0.02 -0.04 3.22 3.15 2nmpA1 ARG 68 HD3 -0.03 0.03 0.03 -0.04 3.22 3.20 2nmpA1 ASN 69 H 0.05 0.47 -0.12 -0.55 8.53 8.39 2nmpA1 ASN 69 HA 0.04 -0.00 0.38 -0.75 4.76 4.42 2nmpA1 ASN 69 HB2 0.09 0.05 0.07 -0.04 2.88 3.05 2nmpA1 ASN 69 HB3 0.06 -0.01 -0.01 -0.04 2.79 2.79 2nmpA1 ASN 69 HD21 0.01 0.11 -0.19 -0.04 7.03 6.92 2nmpA1 ASN 69 HD22 0.03 -0.03 -0.13 -0.04 7.74 7.57 2nmpA1 CYS 70 H 0.12 0.52 -0.12 -0.55 8.50 8.47 2nmpA1 CYS 70 HA 0.08 -0.01 0.52 -0.75 4.58 4.42 2nmpA1 CYS 70 HB2 0.11 0.01 0.09 -0.04 2.97 3.15 2nmpA1 CYS 70 HB3 0.13 0.11 0.04 -0.04 2.97 3.20 2nmpA1 LEU 71 H 0.04 0.33 -0.28 -0.55 8.37 7.92 2nmpA1 LEU 71 HA -0.01 0.09 0.41 -0.75 4.35 4.08 2nmpA1 LEU 71 HB2 -0.01 0.05 0.08 -0.04 1.64 1.72 2nmpA1 LEU 71 HB3 0.01 0.11 0.19 -0.04 1.64 1.91 2nmpA1 LEU 71 HG -0.01 -0.02 -0.43 -0.04 1.64 1.14 2nmpA1 LEU 71 HD13 -0.03 -0.02 -0.10 -0.04 0.93 0.74 2nmpA1 LEU 71 HD23 -0.00 -0.03 -0.04 -0.04 0.89 0.78 2nmpA1 GLU 72 H 0.02 0.63 -0.07 -0.55 8.60 8.62 2nmpA1 GLU 72 HA 0.01 -0.09 0.31 -0.75 4.29 3.77 2nmpA1 GLU 72 HB2 0.03 0.10 0.15 -0.04 2.09 2.33 2nmpA1 GLU 72 HB3 0.05 0.06 0.03 -0.04 1.99 2.09 2nmpA1 GLU 72 HG2 0.00 -0.17 -0.25 -0.04 2.34 1.88 2nmpA1 GLU 72 HG3 -0.00 0.14 -0.01 -0.04 2.34 2.43 2nmpA1 LYS 73 H 0.02 0.61 -0.09 -0.55 8.42 8.40 2nmpA1 LYS 73 HA -0.02 0.01 0.38 -0.75 4.32 3.93 2nmpA1 LYS 73 HB2 0.00 0.15 0.13 -0.04 1.87 2.11 2nmpA1 LYS 73 HB3 -0.02 -0.08 -0.02 -0.04 1.79 1.62 2nmpA1 LYS 73 HG2 0.00 -0.06 0.04 -0.04 1.46 1.41 2nmpA1 LYS 73 HG3 0.02 0.16 0.04 -0.04 1.46 1.63 2nmpA1 LYS 73 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.60 2nmpA1 LYS 73 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 2nmpA1 LYS 73 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.92 2nmpA1 LYS 73 HE3 -0.01 0.00 0.02 -0.04 2.99 2.96 2nmpA1 ALA 74 H -0.02 0.59 -0.21 -0.55 8.40 8.22 2nmpA1 ALA 74 HA -0.07 -0.02 0.32 -0.75 4.34 3.82 2nmpA1 ALA 74 HB3 -0.05 0.08 0.11 -0.04 1.41 1.51 2nmpA1 VAL 75 H -0.04 0.56 -0.17 -0.55 8.24 8.04 2nmpA1 VAL 75 HA -0.09 0.01 0.38 -0.75 4.13 3.67 2nmpA1 VAL 75 HB -0.01 0.05 0.05 -0.04 2.12 2.16 2nmpA1 VAL 75 HG13 -0.08 -0.05 -0.15 -0.04 0.97 0.65 2nmpA1 VAL 75 HG23 -0.06 0.05 -0.04 -0.04 0.95 0.86 2nmpA1 ALA 76 H -0.02 0.79 -0.10 -0.55 8.40 8.53 2nmpA1 ALA 76 HA -0.00 -0.09 0.27 -0.75 4.34 3.77 2nmpA1 ALA 76 HB3 -0.04 0.05 -0.24 -0.04 1.41 1.14 2nmpA1 ALA 77 H -0.07 0.64 -0.19 -0.55 8.40 8.23 2nmpA1 ALA 77 HA -0.09 0.02 0.33 -0.75 4.34 3.84 2nmpA1 ALA 77 HB3 -0.10 0.03 0.05 -0.04 1.41 1.34 2nmpA1 LEU 78 H -0.14 0.52 -0.21 -0.55 8.37 7.99 2nmpA1 LEU 78 HA -0.39 0.01 0.32 -0.75 4.35 3.54 2nmpA1 LEU 78 HB2 -0.14 0.05 0.15 -0.04 1.64 1.67 2nmpA1 LEU 78 HB3 -0.21 -0.13 0.01 -0.04 1.64 1.28 2nmpA1 LEU 78 HG -0.24 0.43 0.05 -0.04 1.64 1.84 2nmpA1 LEU 78 HD13 -0.15 -0.04 -0.01 -0.04 0.93 0.69 2nmpA1 LEU 78 HD23 -0.86 -0.05 -0.07 -0.04 0.89 -0.13 2nmpA1 ASP 79 H -0.04 0.62 -0.18 -0.55 8.40 8.25 2nmpA1 ASP 79 HA 0.05 0.04 0.57 -0.75 4.63 4.53 2nmpA1 ASP 79 HB2 0.04 0.23 0.09 -0.04 2.71 3.03 2nmpA1 ASP 79 HB3 0.04 -0.10 -0.01 -0.04 2.70 2.59 2nmpA1 GLY 80 H -0.08 0.48 -0.62 -0.55 8.43 7.66 2nmpA1 GLY 80 HA2 -0.08 0.07 0.26 -0.51 4.01 3.76 2nmpA1 GLY 80 HA3 -0.10 -0.03 0.48 -0.51 4.01 3.86 2nmpA1 ALA 81 H -0.05 0.66 -0.13 -0.55 8.40 8.34 2nmpA1 ALA 81 HA -0.04 0.05 0.52 -0.75 4.34 4.12 2nmpA1 ALA 81 HB3 0.01 -0.00 -0.02 -0.04 1.41 1.36 2nmpA1 LYS 82 H -0.10 0.11 0.21 -0.55 8.42 8.09 2nmpA1 LYS 82 HA -0.31 0.12 0.64 -0.75 4.32 4.01 2nmpA1 LYS 82 HB2 -0.23 0.01 0.28 -0.04 1.87 1.88 2nmpA1 LYS 82 HB3 -1.16 -0.02 0.03 -0.04 1.79 0.60 2nmpA1 LYS 82 HG2 -0.26 0.02 0.05 -0.04 1.46 1.23 2nmpA1 LYS 82 HG3 -0.15 -0.00 0.05 -0.04 1.46 1.33 2nmpA1 LYS 82 HD2 -0.23 -0.02 0.03 -0.04 1.69 1.43 2nmpA1 LYS 82 HD3 -0.11 -0.02 0.02 -0.04 1.68 1.53 2nmpA1 LYS 82 HE2 0.04 0.24 0.10 -0.04 2.99 3.33 2nmpA1 LYS 82 HE3 0.03 -0.08 0.03 -0.04 2.99 2.93 2nmpA1 TYR 83 H -0.02 0.36 0.16 -0.55 8.29 8.24 2nmpA1 TYR 83 HA -0.08 0.22 0.88 -0.75 4.56 4.83 2nmpA1 TYR 83 HB2 -0.09 -0.06 -0.04 -0.04 3.06 2.82 2nmpA1 TYR 83 HB3 -0.18 0.00 0.02 -0.04 2.98 2.78 2nmpA1 TYR 83 HD2 -0.28 0.03 -0.13 -0.04 7.15 6.73 2nmpA1 TYR 83 HE2 -0.14 0.03 -0.07 -0.04 6.85 6.63 2nmpA1 CYS 84 H 0.17 0.30 0.17 -0.55 8.50 8.60 2nmpA1 CYS 84 HA 0.16 0.25 0.58 -0.75 4.58 4.82 2nmpA1 CYS 84 HB2 0.07 0.06 -0.03 -0.04 2.97 3.02 2nmpA1 CYS 84 HB3 0.06 0.04 0.06 -0.04 2.97 3.08 2nmpA1 LEU 85 H 0.15 0.59 0.35 -0.55 8.37 8.91 2nmpA1 LEU 85 HA -0.06 0.17 0.91 -0.75 4.35 4.61 2nmpA1 LEU 85 HB2 0.24 -0.07 0.05 -0.04 1.64 1.82 2nmpA1 LEU 85 HB3 -0.35 0.07 -0.04 -0.04 1.64 1.28 2nmpA1 LEU 85 HG 0.08 0.11 -0.29 -0.04 1.64 1.50 2nmpA1 LEU 85 HD13 0.21 -0.01 -0.20 -0.04 0.93 0.89 2nmpA1 LEU 85 HD23 -0.02 0.02 -0.23 -0.04 0.89 0.62 2nmpA1 ALA 86 H -0.25 0.22 0.17 -0.55 8.40 7.99 2nmpA1 ALA 86 HA -0.01 0.25 1.15 -0.75 4.34 4.97 2nmpA1 ALA 86 HB3 -0.05 0.00 0.05 -0.04 1.41 1.37 2nmpA1 PHE 87 H 0.13 0.59 0.39 -0.55 8.34 8.91 2nmpA1 PHE 87 HA 0.01 0.42 0.91 -0.75 4.62 5.21 2nmpA1 PHE 87 HB2 0.04 -0.15 -0.08 -0.04 3.15 2.91 2nmpA1 PHE 87 HB3 0.01 -0.11 -0.03 -0.04 3.06 2.89 2nmpA1 PHE 87 HD2 0.03 0.02 -0.24 -0.04 7.28 7.05 2nmpA1 PHE 87 HE2 0.03 0.01 -0.15 -0.04 7.38 7.23 2nmpA1 PHE 87 HZ 0.03 0.05 -0.15 -0.04 7.32 7.21 2nmpA1 ALA 88 H 0.19 0.40 0.13 -0.55 8.40 8.58 2nmpA1 ALA 88 HA 0.06 0.09 0.11 -0.75 4.34 3.85 2nmpA1 ALA 88 HB3 0.05 0.05 -0.11 -0.04 1.41 1.35 2nmpA1 SER 89 H 0.12 0.21 -0.29 -0.55 8.46 7.95 2nmpA1 SER 89 HA 0.05 0.03 -0.02 -0.75 4.49 3.80 2nmpA1 SER 89 HB2 0.02 -0.08 0.07 -0.04 3.95 3.92 2nmpA1 SER 89 HB3 0.03 0.36 -0.01 -0.04 3.93 4.26 2nmpA1 GLY 90 H 0.04 0.23 0.04 -0.55 8.43 8.19 2nmpA1 GLY 90 HA2 0.08 0.15 0.64 -0.51 4.01 4.37 2nmpA1 GLY 90 HA3 0.05 0.04 0.40 -0.51 4.01 3.99 2nmpA1 LEU 91 H -0.00 0.10 -0.20 -0.55 8.37 7.72 2nmpA1 LEU 91 HA -0.09 0.11 0.51 -0.75 4.35 4.12 2nmpA1 LEU 91 HB2 -0.01 -0.04 0.02 -0.04 1.64 1.57 2nmpA1 LEU 91 HB3 -0.09 0.14 -0.15 -0.04 1.64 1.49 2nmpA1 LEU 91 HG 0.08 -0.11 -0.07 -0.04 1.64 1.50 2nmpA1 LEU 91 HD13 0.03 0.03 -0.05 -0.04 0.93 0.90 2nmpA1 LEU 91 HD23 -0.12 0.03 -0.12 -0.04 0.89 0.64 2nmpA1 ALA 92 H -0.04 0.04 -0.33 -0.55 8.40 7.52 2nmpA1 ALA 92 HA -0.17 0.16 0.49 -0.75 4.34 4.06 2nmpA1 ALA 92 HB3 -0.01 0.01 0.05 -0.04 1.41 1.42 2nmpA1 ALA 93 H -0.10 0.24 -0.32 -0.55 8.40 7.68 2nmpA1 ALA 93 HA -1.04 0.14 0.51 -0.75 4.34 3.19 2nmpA1 ALA 93 HB3 -0.03 0.01 -0.01 -0.04 1.41 1.34 2nmpA1 THR 94 H -0.11 0.37 -0.29 -0.55 8.28 7.71 2nmpA1 THR 94 HA 0.19 0.03 0.29 -0.75 4.39 4.15 2nmpA1 THR 94 HB -0.37 0.16 0.07 -0.04 4.32 4.14 2nmpA1 THR 94 HG23 -0.92 -0.01 -0.08 -0.04 1.22 0.17 2nmpA1 VAL 95 H -0.29 0.23 -0.37 -0.55 8.24 7.26 2nmpA1 VAL 95 HA -0.23 0.07 0.35 -0.75 4.13 3.57 2nmpA1 VAL 95 HB -0.24 0.03 0.08 -0.04 2.12 1.94 2nmpA1 VAL 95 HG13 -0.05 0.02 -0.15 -0.04 0.97 0.75 2nmpA1 VAL 95 HG23 -0.86 0.05 -0.04 -0.04 0.95 0.06 2nmpA1 THR 96 H -0.24 0.40 -0.22 -0.55 8.28 7.68 2nmpA1 THR 96 HA -0.06 0.09 0.31 -0.75 4.39 3.97 2nmpA1 THR 96 HB -0.53 -0.00 0.05 -0.04 4.32 3.80 2nmpA1 THR 96 HG23 0.12 0.00 -0.23 -0.04 1.22 1.07 2nmpA1 ILE 97 H -0.04 0.47 -0.25 -0.55 8.25 7.88 2nmpA1 ILE 97 HA 0.12 0.04 0.35 -0.75 4.18 3.93 2nmpA1 ILE 97 HB 0.31 0.06 0.05 -0.04 1.89 2.27 2nmpA1 ILE 97 HG12 0.13 -0.03 -0.07 -0.04 1.49 1.48 2nmpA1 ILE 97 HG13 0.04 0.05 -0.01 -0.04 1.21 1.24 2nmpA1 ILE 97 HG23 0.34 -0.02 -0.23 -0.04 0.93 0.98 2nmpA1 ILE 97 HD13 0.19 -0.05 -0.17 -0.04 0.88 0.82 2nmpA1 THR 98 H 0.18 0.52 -0.19 -0.55 8.28 8.25 2nmpA1 THR 98 HA 0.17 -0.03 0.29 -0.75 4.39 4.07 2nmpA1 THR 98 HB 0.25 0.10 -0.01 -0.04 4.32 4.62 2nmpA1 THR 98 HG23 0.12 -0.02 -0.04 -0.04 1.22 1.24 2nmpA1 HIS 99 H 0.25 0.39 -0.53 -0.55 8.41 7.98 2nmpA1 HIS 99 HA 0.05 0.05 0.36 -0.75 4.63 4.34 2nmpA1 HIS 99 HB2 0.03 0.13 0.14 -0.04 3.26 3.53 2nmpA1 HIS 99 HB3 0.05 -0.06 0.09 -0.04 3.20 3.24 2nmpA1 HIS 99 HD2 -0.01 0.00 0.00 -0.04 6.97 6.92 2nmpA1 HIS 99 HE1 -0.04 -0.09 -0.08 -0.04 7.75 7.50 2nmpA1 LEU 100 H 0.12 0.53 -0.57 -0.55 8.37 7.91 2nmpA1 LEU 100 HA 0.10 0.01 0.50 -0.75 4.35 4.20 2nmpA1 LEU 100 HB2 0.09 0.08 0.03 -0.04 1.64 1.80 2nmpA1 LEU 100 HB3 0.07 -0.09 0.02 -0.04 1.64 1.59 2nmpA1 LEU 100 HG 0.11 0.08 0.01 -0.04 1.64 1.81 2nmpA1 LEU 100 HD13 0.10 -0.04 -0.04 -0.04 0.93 0.91 2nmpA1 LEU 100 HD23 0.08 -0.03 -0.09 -0.04 0.89 0.81 2nmpA1 LEU 101 H 0.04 0.41 -0.23 -0.55 8.37 8.05 2nmpA1 LEU 101 HA 0.02 0.10 0.52 -0.75 4.35 4.24 2nmpA1 LEU 101 HB2 -0.00 0.07 -0.02 -0.04 1.64 1.65 2nmpA1 LEU 101 HB3 0.01 -0.07 0.11 -0.04 1.64 1.64 2nmpA1 LEU 101 HG 0.05 0.13 0.03 -0.04 1.64 1.81 2nmpA1 LEU 101 HD13 0.00 -0.04 -0.10 -0.04 0.93 0.76 2nmpA1 LEU 101 HD23 0.05 -0.03 -0.24 -0.04 0.89 0.62 2nmpA1 LYS 102 H 0.00 0.15 0.15 -0.55 8.42 8.17 2nmpA1 LYS 102 HA 0.00 0.17 0.75 -0.75 4.32 4.49 2nmpA1 LYS 102 HB2 0.01 0.05 0.08 -0.04 1.87 1.97 2nmpA1 LYS 102 HB3 0.01 0.02 0.04 -0.04 1.79 1.82 2nmpA1 LYS 102 HG2 0.01 0.02 -0.06 -0.04 1.46 1.39 2nmpA1 LYS 102 HG3 0.00 -0.04 0.03 -0.04 1.46 1.42 2nmpA1 LYS 102 HD2 0.00 0.08 -0.03 -0.04 1.69 1.70 2nmpA1 LYS 102 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.60 2nmpA1 LYS 102 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.91 2nmpA1 LYS 102 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 2nmpA1 ALA 103 H 0.01 0.08 0.12 -0.55 8.40 8.07 2nmpA1 ALA 103 HA 0.01 0.11 0.45 -0.75 4.34 4.16 2nmpA1 ALA 103 HB3 0.03 -0.00 0.09 -0.04 1.41 1.48 2nmpA1 GLY 104 H -0.00 1.05 0.42 -0.55 8.43 9.34 2nmpA1 GLY 104 HA2 -0.01 -0.04 0.42 -0.51 4.01 3.87 2nmpA1 GLY 104 HA3 -0.00 0.06 0.67 -0.51 4.01 4.22 2nmpA1 ASP 105 H -0.01 0.24 -0.07 -0.55 8.40 8.00 2nmpA1 ASP 105 HA -0.01 0.20 0.70 -0.75 4.63 4.76 2nmpA1 ASP 105 HB2 -0.01 0.07 0.11 -0.04 2.71 2.84 2nmpA1 ASP 105 HB3 -0.01 -0.06 0.15 -0.04 2.70 2.73 2nmpA1 GLN 106 H -0.03 0.50 0.45 -0.55 8.47 8.85 2nmpA1 GLN 106 HA -0.07 0.15 1.18 -0.75 4.36 4.86 2nmpA1 GLN 106 HB2 -0.05 -0.00 -0.07 -0.04 2.15 2.00 2nmpA1 GLN 106 HB3 -0.04 -0.01 -0.00 -0.04 2.02 1.93 2nmpA1 GLN 106 HG2 -0.09 -0.11 -0.51 -0.04 2.40 1.66 2nmpA1 GLN 106 HG3 -0.10 0.11 -0.05 -0.04 2.39 2.32 2nmpA1 GLN 106 HE21 -0.03 0.09 -0.06 -0.04 6.97 6.92 2nmpA1 GLN 106 HE22 -0.03 -0.05 -0.17 -0.04 7.69 7.40 2nmpA1 ILE 107 H -0.16 0.75 0.39 -0.55 8.25 8.68 2nmpA1 ILE 107 HA -0.13 0.24 1.05 -0.75 4.18 4.59 2nmpA1 ILE 107 HB -0.47 -0.04 0.09 -0.04 1.89 1.43 2nmpA1 ILE 107 HG12 -0.13 0.02 -0.07 -0.04 1.49 1.27 2nmpA1 ILE 107 HG13 -0.16 -0.00 -0.20 -0.04 1.21 0.80 2nmpA1 ILE 107 HG23 -0.55 -0.02 -0.18 -0.04 0.93 0.14 2nmpA1 ILE 107 HD13 -0.29 -0.01 -0.10 -0.04 0.88 0.45 2nmpA1 ILE 108 H -0.10 0.58 0.38 -0.55 8.25 8.56 2nmpA1 ILE 108 HA -0.18 0.29 0.97 -0.75 4.18 4.51 2nmpA1 ILE 108 HB -0.04 -0.02 0.18 -0.04 1.89 1.96 2nmpA1 ILE 108 HG12 -0.06 0.03 -0.06 -0.04 1.49 1.35 2nmpA1 ILE 108 HG13 -0.07 -0.05 -0.29 -0.04 1.21 0.76 2nmpA1 ILE 108 HG23 -0.03 -0.02 -0.19 -0.04 0.93 0.65 2nmpA1 ILE 108 HD13 -0.02 0.04 -0.20 -0.04 0.88 0.65 2nmpA1 CYS 109 H -0.28 0.91 0.39 -0.55 8.50 8.97 2nmpA1 CYS 109 HA 0.09 0.17 1.16 -0.75 4.58 5.24 2nmpA1 CYS 109 HB2 -0.43 -0.03 -0.12 -0.04 2.97 2.34 2nmpA1 CYS 109 HB3 -0.47 0.01 -0.02 -0.04 2.97 2.44 2nmpA1 MET 110 H 0.23 0.61 0.32 -0.55 8.47 9.08 2nmpA1 MET 110 HA 0.13 0.08 0.62 -0.75 4.52 4.59 2nmpA1 MET 110 HB2 0.19 0.10 0.34 -0.04 2.15 2.73 2nmpA1 MET 110 HB3 0.19 0.01 -0.05 -0.04 2.03 2.13 2nmpA1 MET 110 HG2 0.08 0.00 0.11 -0.04 2.63 2.77 2nmpA1 MET 110 HG3 0.09 0.11 0.12 -0.04 2.56 2.83 2nmpA1 MET 110 HE3 0.05 0.03 -0.02 -0.04 2.10 2.11 2nmpA1 ASP 111 H 0.14 0.15 0.21 -0.55 8.40 8.35 2nmpA1 ASP 111 HA 0.31 0.15 0.31 -0.75 4.63 4.64 2nmpA1 ASP 111 HB2 0.07 0.06 -0.05 -0.04 2.71 2.75 2nmpA1 ASP 111 HB3 0.14 -0.04 -0.23 -0.04 2.70 2.52 2nmpA1 ASP 112 H 0.11 0.02 -0.17 -0.55 8.40 7.81 2nmpA1 ASP 112 HA 0.07 0.27 0.86 -0.75 4.63 5.08 2nmpA1 ASP 112 HB2 0.04 0.09 -0.02 -0.04 2.71 2.79 2nmpA1 ASP 112 HB3 0.06 -0.12 0.10 -0.04 2.70 2.70 2nmpA1 VAL 113 H 0.15 0.26 -0.17 -0.55 8.24 7.93 2nmpA1 VAL 113 HA 0.19 0.12 0.90 -0.75 4.13 4.59 2nmpA1 VAL 113 HB 0.25 -0.16 0.08 -0.04 2.12 2.25 2nmpA1 VAL 113 HG13 0.33 0.05 -0.19 -0.04 0.97 1.12 2nmpA1 VAL 113 HG23 0.21 0.04 -0.23 -0.04 0.95 0.93 2nmpA1 TYR 114 H 0.30 0.06 0.10 -0.55 8.29 8.21 2nmpA1 TYR 114 HA 0.16 0.17 0.55 -0.75 4.56 4.69 2nmpA1 TYR 114 HB2 0.11 0.08 0.12 -0.04 3.06 3.32 2nmpA1 TYR 114 HB3 0.07 -0.06 0.13 -0.04 2.98 3.08 2nmpA1 TYR 114 HD2 0.02 0.01 -0.01 -0.04 7.15 7.13 2nmpA1 TYR 114 HE2 -0.02 0.09 -0.02 -0.04 6.85 6.86 2nmpA1 GLY 115 H -1.11 0.25 0.17 -0.55 8.43 7.19 2nmpA1 GLY 115 HA2 -0.32 0.12 0.26 -0.51 4.01 3.57 2nmpA1 GLY 115 HA3 -0.71 0.16 0.37 -0.51 4.01 3.32 2nmpA1 GLY 116 H -1.80 0.05 -0.33 -0.55 8.43 5.80 2nmpA1 GLY 116 HA2 -0.22 0.12 0.30 -0.51 4.01 3.69 2nmpA1 GLY 116 HA3 -0.20 0.02 0.19 -0.51 4.01 3.51 2nmpA1 THR 117 H 0.04 0.10 -0.17 -0.55 8.28 7.71 2nmpA1 THR 117 HA -0.32 0.05 0.46 -0.75 4.39 3.82 2nmpA1 THR 117 HB 0.04 0.06 -0.03 -0.04 4.32 4.36 2nmpA1 THR 117 HG23 -0.57 0.01 -0.10 -0.04 1.22 0.52 2nmpA1 ASN 118 H -0.04 0.51 -0.28 -0.55 8.53 8.18 2nmpA1 ASN 118 HA 0.27 0.03 0.39 -0.75 4.76 4.70 2nmpA1 ASN 118 HB2 0.06 -0.05 -0.09 -0.04 2.88 2.75 2nmpA1 ASN 118 HB3 -0.06 0.22 0.03 -0.04 2.79 2.94 2nmpA1 ASN 118 HD21 -0.36 -0.00 -0.00 -0.04 7.03 6.62 2nmpA1 ASN 118 HD22 -0.06 -0.02 -0.03 -0.04 7.74 7.58 2nmpA1 ARG 119 H -0.09 0.54 -0.11 -0.55 8.46 8.24 2nmpA1 ARG 119 HA -0.01 0.07 0.29 -0.75 4.34 3.93 2nmpA1 ARG 119 HB2 -0.08 0.06 0.03 -0.04 1.90 1.87 2nmpA1 ARG 119 HB3 -0.07 -0.01 0.13 -0.04 1.80 1.80 2nmpA1 ARG 119 HG2 0.01 -0.01 -0.29 -0.04 1.67 1.33 2nmpA1 ARG 119 HG3 -0.01 0.03 -0.01 -0.04 1.67 1.63 2nmpA1 ARG 119 HD2 -0.01 0.03 -0.07 -0.04 3.22 3.13 2nmpA1 ARG 119 HD3 -0.05 -0.01 -0.05 -0.04 3.22 3.08 2nmpA1 TYR 120 H -0.02 0.56 -0.17 -0.55 8.29 8.11 2nmpA1 TYR 120 HA -0.06 0.03 0.33 -0.75 4.56 4.11 2nmpA1 TYR 120 HB2 -0.18 -0.03 0.05 -0.04 3.06 2.87 2nmpA1 TYR 120 HB3 -0.45 0.05 0.12 -0.04 2.98 2.66 2nmpA1 TYR 120 HD2 -0.47 0.00 -0.08 -0.04 7.15 6.56 2nmpA1 TYR 120 HE2 -0.00 0.07 -0.13 -0.04 6.85 6.75 2nmpA1 PHE 121 H -0.17 0.54 -0.16 -0.55 8.34 7.99 2nmpA1 PHE 121 HA -0.43 -0.00 0.41 -0.75 4.62 3.85 2nmpA1 PHE 121 HB2 -0.03 0.10 0.14 -0.04 3.15 3.31 2nmpA1 PHE 121 HB3 -0.20 -0.01 -0.05 -0.04 3.06 2.76 2nmpA1 PHE 121 HD2 -0.27 -0.01 -0.11 -0.04 7.28 6.85 2nmpA1 PHE 121 HE2 -0.54 -0.02 -0.09 -0.04 7.38 6.69 2nmpA1 PHE 121 HZ -1.02 -0.03 -0.08 -0.04 7.32 6.15 2nmpA1 ARG 122 H 0.18 0.65 -0.03 -0.55 8.46 8.70 2nmpA1 ARG 122 HA 0.13 0.03 0.26 -0.75 4.34 4.00 2nmpA1 ARG 122 HB2 0.22 0.03 0.10 -0.04 1.90 2.21 2nmpA1 ARG 122 HB3 0.06 0.03 0.03 -0.04 1.80 1.88 2nmpA1 ARG 122 HG2 0.06 0.03 -0.01 -0.04 1.67 1.70 2nmpA1 ARG 122 HG3 0.18 -0.02 0.02 -0.04 1.67 1.81 2nmpA1 ARG 122 HD2 -0.03 -0.04 -0.00 -0.04 3.22 3.10 2nmpA1 ARG 122 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.11 2nmpA1 GLN 123 H 0.01 0.61 -0.14 -0.55 8.47 8.40 2nmpA1 GLN 123 HA -0.00 0.18 0.66 -0.75 4.36 4.45 2nmpA1 GLN 123 HB2 0.01 0.23 0.11 -0.04 2.15 2.46 2nmpA1 GLN 123 HB3 0.01 -0.05 -0.01 -0.04 2.02 1.94 2nmpA1 GLN 123 HG2 -0.00 0.01 -0.02 -0.04 2.40 2.34 2nmpA1 GLN 123 HG3 0.00 -0.06 -0.12 -0.04 2.39 2.17 2nmpA1 GLN 123 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.87 2nmpA1 GLN 123 HE22 0.00 0.01 -0.01 -0.04 7.69 7.65 2nmpA1 VAL 124 H -0.08 0.33 -0.06 -0.55 8.24 7.88 2nmpA1 VAL 124 HA 0.08 0.23 0.98 -0.75 4.13 4.66 2nmpA1 VAL 124 HB 0.07 0.04 0.17 -0.04 2.12 2.35 2nmpA1 VAL 124 HG13 0.31 -0.00 -0.16 -0.04 0.97 1.07 2nmpA1 VAL 124 HG23 0.13 -0.01 -0.15 -0.04 0.95 0.87 2nmpA1 ALA 125 H -0.43 0.66 0.25 -0.55 8.40 8.34 2nmpA1 ALA 125 HA -0.01 0.06 0.38 -0.75 4.34 4.01 2nmpA1 ALA 125 HB3 -0.34 0.02 0.06 -0.04 1.41 1.11 2nmpA1 SER 126 H -0.06 0.36 -0.21 -0.55 8.46 8.00 2nmpA1 SER 126 HA -0.04 0.18 0.32 -0.75 4.49 4.21 2nmpA1 SER 126 HB2 -0.03 -0.05 0.11 -0.04 3.95 3.95 2nmpA1 SER 126 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2nmpA1 GLU 127 H -0.03 0.37 -0.81 -0.55 8.60 7.59 2nmpA1 GLU 127 HA -0.18 0.10 0.65 -0.75 4.29 4.10 2nmpA1 GLU 127 HB2 -0.33 0.26 0.05 -0.04 2.09 2.03 2nmpA1 GLU 127 HB3 -0.57 -0.08 0.13 -0.04 1.99 1.43 2nmpA1 GLU 127 HG2 -0.09 0.02 -0.15 -0.04 2.34 2.09 2nmpA1 GLU 127 HG3 -0.12 -0.01 0.05 -0.04 2.34 2.22 2nmpA1 PHE 128 H 0.07 0.47 -0.21 -0.55 8.34 8.12 2nmpA1 PHE 128 HA -0.02 0.19 0.91 -0.75 4.62 4.95 2nmpA1 PHE 128 HB2 -0.05 0.07 0.13 -0.04 3.15 3.26 2nmpA1 PHE 128 HB3 -0.03 -0.04 0.17 -0.04 3.06 3.13 2nmpA1 PHE 128 HD2 -0.01 0.06 -0.02 -0.04 7.28 7.28 2nmpA1 PHE 128 HE2 0.03 -0.03 -0.04 -0.04 7.38 7.30 2nmpA1 PHE 128 HZ 0.04 -0.05 -0.04 -0.04 7.32 7.23 2nmpA1 GLY 129 H -0.01 0.24 -0.17 -0.55 8.43 7.94 2nmpA1 GLY 129 HA2 -0.00 0.05 0.28 -0.51 4.01 3.82 2nmpA1 GLY 129 HA3 0.03 0.01 0.32 -0.51 4.01 3.85 2nmpA1 LEU 130 H 0.01 0.12 -0.36 -0.55 8.37 7.61 2nmpA1 LEU 130 HA -0.03 0.30 0.96 -0.75 4.35 4.82 2nmpA1 LEU 130 HB2 -0.04 -0.04 -0.23 -0.04 1.64 1.29 2nmpA1 LEU 130 HB3 -0.07 -0.01 -0.11 -0.04 1.64 1.41 2nmpA1 LEU 130 HG 0.01 0.08 -0.26 -0.04 1.64 1.43 2nmpA1 LEU 130 HD13 -0.03 -0.01 -0.12 -0.04 0.93 0.72 2nmpA1 LEU 130 HD23 -0.02 -0.01 -0.20 -0.04 0.89 0.62 2nmpA1 LYS 131 H -0.06 0.66 0.34 -0.55 8.42 8.81 2nmpA1 LYS 131 HA -0.05 0.12 0.83 -0.75 4.32 4.46 2nmpA1 LYS 131 HB2 -0.04 0.04 -0.02 -0.04 1.87 1.82 2nmpA1 LYS 131 HB3 -0.06 -0.01 0.12 -0.04 1.79 1.81 2nmpA1 LYS 131 HG2 -0.06 -0.03 -0.25 -0.04 1.46 1.08 2nmpA1 LYS 131 HG3 -0.04 0.00 -0.00 -0.04 1.46 1.38 2nmpA1 LYS 131 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.57 2nmpA1 LYS 131 HD3 -0.03 0.03 -0.07 -0.04 1.68 1.57 2nmpA1 LYS 131 HE2 -0.02 -0.00 -0.06 -0.04 2.99 2.86 2nmpA1 LYS 131 HE3 -0.04 -0.01 -0.11 -0.04 2.99 2.79 2nmpA1 ILE 132 H -0.08 0.21 0.14 -0.55 8.25 7.97 2nmpA1 ILE 132 HA -0.27 0.25 1.14 -0.75 4.18 4.55 2nmpA1 ILE 132 HB -0.10 -0.00 -0.01 -0.04 1.89 1.74 2nmpA1 ILE 132 HG12 -0.10 0.03 -0.25 -0.04 1.49 1.12 2nmpA1 ILE 132 HG13 -0.07 0.20 -0.20 -0.04 1.21 1.10 2nmpA1 ILE 132 HG23 -0.59 -0.04 -0.19 -0.04 0.93 0.07 2nmpA1 ILE 132 HD13 -0.24 -0.02 -0.24 -0.04 0.88 0.34 2nmpA1 SER 133 H -0.33 0.62 0.31 -0.55 8.46 8.52 2nmpA1 SER 133 HA -0.07 0.13 0.92 -0.75 4.49 4.72 2nmpA1 SER 133 HB2 -0.11 0.01 0.10 -0.04 3.95 3.91 2nmpA1 SER 133 HB3 -0.04 0.02 -0.02 -0.04 3.93 3.84 2nmpA1 PHE 134 H 0.20 0.20 0.15 -0.55 8.34 8.33 2nmpA1 PHE 134 HA 0.01 0.40 0.95 -0.75 4.62 5.23 2nmpA1 PHE 134 HB2 0.01 -0.01 0.08 -0.04 3.15 3.19 2nmpA1 PHE 134 HB3 0.03 -0.04 -0.04 -0.04 3.06 2.97 2nmpA1 PHE 134 HD2 0.03 0.10 -0.11 -0.04 7.28 7.26 2nmpA1 PHE 134 HE2 0.06 -0.01 -0.10 -0.04 7.38 7.29 2nmpA1 PHE 134 HZ 0.06 0.00 -0.04 -0.04 7.32 7.31 2nmpA1 VAL 135 H 0.14 0.48 0.23 -0.55 8.24 8.54 2nmpA1 VAL 135 HA 0.07 0.18 0.76 -0.75 4.13 4.39 2nmpA1 VAL 135 HB 0.04 -0.03 -0.16 -0.04 2.12 1.92 2nmpA1 VAL 135 HG13 0.03 -0.01 -0.42 -0.04 0.97 0.54 2nmpA1 VAL 135 HG23 0.02 0.03 -0.39 -0.04 0.95 0.57 2nmpA1 ASP 136 H 0.05 0.27 0.05 -0.55 8.40 8.22 2nmpA1 ASP 136 HA 0.06 0.02 0.85 -0.75 4.63 4.81 2nmpA1 ASP 136 HB2 0.04 0.09 0.08 -0.04 2.71 2.88 2nmpA1 ASP 136 HB3 0.03 0.05 0.20 -0.04 2.70 2.95 2nmpA1 CYS 137 H 0.06 0.31 0.07 -0.55 8.50 8.38 2nmpA1 CYS 137 HA 0.02 0.11 0.11 -0.75 4.58 4.07 2nmpA1 CYS 137 HB2 0.04 -0.03 -0.02 -0.04 2.97 2.92 2nmpA1 CYS 137 HB3 0.02 0.04 -0.03 -0.04 2.97 2.96 2nmpA1 SER 138 H 0.04 0.05 -0.33 -0.55 8.46 7.67 2nmpA1 SER 138 HA 0.03 0.05 0.56 -0.75 4.49 4.37 2nmpA1 SER 138 HB2 0.04 0.17 0.11 -0.04 3.95 4.22 2nmpA1 SER 138 HB3 0.04 -0.09 -0.05 -0.04 3.93 3.79 2nmpA1 LYS 139 H 0.03 0.47 -0.54 -0.55 8.42 7.82 2nmpA1 LYS 139 HA 0.02 0.19 0.81 -0.75 4.32 4.58 2nmpA1 LYS 139 HB2 0.02 0.11 0.21 -0.04 1.87 2.17 2nmpA1 LYS 139 HB3 0.02 -0.08 0.12 -0.04 1.79 1.81 2nmpA1 LYS 139 HG2 0.02 0.08 0.03 -0.04 1.46 1.54 2nmpA1 LYS 139 HG3 0.02 -0.06 -0.29 -0.04 1.46 1.09 2nmpA1 LYS 139 HD2 0.02 -0.03 0.02 -0.04 1.69 1.66 2nmpA1 LYS 139 HD3 0.01 0.00 0.02 -0.04 1.68 1.67 2nmpA1 LYS 139 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.90 2nmpA1 LYS 139 HE3 0.01 0.02 -0.01 -0.04 2.99 2.98 2nmpA1 ILE 140 H 0.01 0.25 -0.10 -0.55 8.25 7.87 2nmpA1 ILE 140 HA 0.01 0.06 0.22 -0.75 4.18 3.72 2nmpA1 ILE 140 HB 0.01 0.01 0.03 -0.04 1.89 1.90 2nmpA1 ILE 140 HG12 0.01 -0.00 -0.03 -0.04 1.49 1.42 2nmpA1 ILE 140 HG13 0.01 0.07 0.03 -0.04 1.21 1.28 2nmpA1 ILE 140 HG23 0.01 0.02 -0.10 -0.04 0.93 0.82 2nmpA1 ILE 140 HD13 0.01 -0.00 0.04 -0.04 0.88 0.89 2nmpA1 LYS 141 H 0.01 0.08 -0.36 -0.55 8.42 7.60 2nmpA1 LYS 141 HA 0.01 0.09 0.38 -0.75 4.32 4.04 2nmpA1 LYS 141 HB2 0.01 0.04 -0.04 -0.04 1.87 1.84 2nmpA1 LYS 141 HB3 0.01 0.05 0.05 -0.04 1.79 1.86 2nmpA1 LYS 141 HG2 0.01 0.06 0.01 -0.04 1.46 1.50 2nmpA1 LYS 141 HG3 0.01 -0.03 0.02 -0.04 1.46 1.42 2nmpA1 LYS 141 HD2 0.01 -0.10 -0.13 -0.04 1.69 1.43 2nmpA1 LYS 141 HD3 0.01 0.07 -0.00 -0.04 1.68 1.71 2nmpA1 LYS 141 HE2 0.01 0.07 0.01 -0.04 2.99 3.03 2nmpA1 LYS 141 HE3 0.01 -0.10 0.00 -0.04 2.99 2.86 2nmpA1 LEU 142 H 0.01 0.65 -0.10 -0.55 8.37 8.39 2nmpA1 LEU 142 HA 0.01 0.09 0.33 -0.75 4.35 4.03 2nmpA1 LEU 142 HB2 0.02 0.21 0.12 -0.04 1.64 1.95 2nmpA1 LEU 142 HB3 0.02 -0.07 -0.01 -0.04 1.64 1.54 2nmpA1 LEU 142 HG 0.01 -0.06 0.02 -0.04 1.64 1.57 2nmpA1 LEU 142 HD13 0.02 -0.01 0.06 -0.04 0.93 0.97 2nmpA1 LEU 142 HD23 0.01 0.01 -0.01 -0.04 0.89 0.87 2nmpA1 LEU 143 H 0.01 0.23 -0.21 -0.55 8.37 7.85 2nmpA1 LEU 143 HA 0.01 0.03 0.39 -0.75 4.35 4.02 2nmpA1 LEU 143 HB2 0.01 -0.13 -0.08 -0.04 1.64 1.40 2nmpA1 LEU 143 HB3 0.00 0.11 0.02 -0.04 1.64 1.73 2nmpA1 LEU 143 HG -0.01 0.11 -0.38 -0.04 1.64 1.33 2nmpA1 LEU 143 HD13 -0.01 -0.01 -0.11 -0.04 0.93 0.76 2nmpA1 LEU 143 HD23 -0.02 -0.01 -0.10 -0.04 0.89 0.72 2nmpA1 GLU 144 H 0.01 0.40 -0.27 -0.55 8.60 8.20 2nmpA1 GLU 144 HA 0.02 0.08 0.32 -0.75 4.29 3.95 2nmpA1 GLU 144 HB2 0.01 -0.01 0.06 -0.04 2.09 2.11 2nmpA1 GLU 144 HB3 0.01 0.07 0.08 -0.04 1.99 2.11 2nmpA1 GLU 144 HG2 0.03 0.03 -0.11 -0.04 2.34 2.25 2nmpA1 GLU 144 HG3 0.03 0.04 0.04 -0.04 2.34 2.40 2nmpA1 ALA 145 H 0.01 0.28 -0.23 -0.55 8.40 7.91 2nmpA1 ALA 145 HA 0.01 0.07 0.48 -0.75 4.34 4.15 2nmpA1 ALA 145 HB3 0.01 0.00 0.07 -0.04 1.41 1.45 2nmpA1 ALA 146 H 0.01 0.21 -0.38 -0.55 8.40 7.69 2nmpA1 ALA 146 HA 0.00 0.01 0.20 -0.75 4.34 3.80 2nmpA1 ALA 146 HB3 0.00 -0.01 0.01 -0.04 1.41 1.37 2nmpA1 ILE 147 H 0.01 0.23 -0.49 -0.55 8.25 7.45 2nmpA1 ILE 147 HA -0.00 -0.10 0.29 -0.75 4.18 3.61 2nmpA1 ILE 147 HB 0.03 0.10 0.03 -0.04 1.89 2.01 2nmpA1 ILE 147 HG12 0.00 -0.11 -0.07 -0.04 1.49 1.27 2nmpA1 ILE 147 HG13 0.01 0.26 0.04 -0.04 1.21 1.48 2nmpA1 ILE 147 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 2nmpA1 ILE 147 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.74 2nmpA1 THR 148 H -0.00 0.06 0.20 -0.55 8.28 7.99 2nmpA1 THR 148 HA -0.01 0.23 0.74 -0.75 4.39 4.60 2nmpA1 THR 148 HB -0.02 -0.07 0.04 -0.04 4.32 4.24 2nmpA1 THR 148 HG23 -0.01 -0.22 -0.04 -0.04 1.22 0.90 2nmpA1 PRO 149 HA -0.01 0.13 0.54 -0.51 4.44 4.59 2nmpA1 PRO 149 HB2 -0.01 0.00 0.02 -0.04 2.28 2.25 2nmpA1 PRO 149 HB3 -0.02 0.03 0.11 -0.04 2.02 2.10 2nmpA1 PRO 149 HG2 -0.02 0.01 0.08 -0.04 2.03 2.06 2nmpA1 PRO 149 HG3 -0.03 0.05 0.08 -0.04 2.03 2.09 2nmpA1 PRO 149 HD2 -0.01 0.06 0.20 -0.04 3.68 3.89 2nmpA1 PRO 149 HD3 -0.02 0.21 0.18 -0.04 3.65 3.98 2nmpA1 GLU 150 H -0.01 0.00 -0.40 -0.55 8.60 7.65 2nmpA1 GLU 150 HA -0.00 0.39 1.06 -0.75 4.29 4.98 2nmpA1 GLU 150 HB2 -0.01 0.00 0.21 -0.04 2.09 2.25 2nmpA1 GLU 150 HB3 -0.01 -0.01 -0.02 -0.04 1.99 1.91 2nmpA1 GLU 150 HG2 -0.02 -0.08 -0.06 -0.04 2.34 2.14 2nmpA1 GLU 150 HG3 -0.02 0.26 0.11 -0.04 2.34 2.65 2nmpA1 THR 151 H -0.01 0.55 -0.14 -0.55 8.28 8.14 2nmpA1 THR 151 HA -0.03 0.04 0.82 -0.75 4.39 4.48 2nmpA1 THR 151 HB 0.00 0.13 0.07 -0.04 4.32 4.49 2nmpA1 THR 151 HG23 -0.02 -0.03 -0.14 -0.04 1.22 0.99 2nmpA1 LYS 152 H -0.01 0.46 0.39 -0.55 8.42 8.70 2nmpA1 LYS 152 HA 0.02 0.41 1.06 -0.75 4.32 5.05 2nmpA1 LYS 152 HB2 0.00 -0.06 0.07 -0.04 1.87 1.84 2nmpA1 LYS 152 HB3 0.02 -0.07 0.05 -0.04 1.79 1.75 2nmpA1 LYS 152 HG2 0.02 -0.08 0.07 -0.04 1.46 1.42 2nmpA1 LYS 152 HG3 0.02 0.32 0.24 -0.04 1.46 2.00 2nmpA1 LYS 152 HD2 0.00 -0.06 -0.36 -0.04 1.69 1.23 2nmpA1 LYS 152 HD3 0.01 -0.08 -0.03 -0.04 1.68 1.54 2nmpA1 LYS 152 HE2 0.01 0.24 0.02 -0.04 2.99 3.22 2nmpA1 LYS 152 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 2nmpA1 LEU 153 H -0.01 0.29 0.36 -0.55 8.37 8.46 2nmpA1 LEU 153 HA 0.05 0.17 0.93 -0.75 4.35 4.75 2nmpA1 LEU 153 HB2 0.07 0.09 -0.14 -0.04 1.64 1.62 2nmpA1 LEU 153 HB3 0.02 -0.02 0.09 -0.04 1.64 1.69 2nmpA1 LEU 153 HG 0.17 0.01 -0.30 -0.04 1.64 1.48 2nmpA1 LEU 153 HD13 0.18 0.00 -0.11 -0.04 0.93 0.95 2nmpA1 LEU 153 HD23 0.27 -0.02 -0.15 -0.04 0.89 0.95 2nmpA1 VAL 154 H 0.03 0.84 0.37 -0.55 8.24 8.94 2nmpA1 VAL 154 HA 0.02 0.22 1.06 -0.75 4.13 4.67 2nmpA1 VAL 154 HB -0.02 0.00 0.11 -0.04 2.12 2.17 2nmpA1 VAL 154 HG13 -0.01 -0.03 -0.21 -0.04 0.97 0.69 2nmpA1 VAL 154 HG23 -0.02 0.01 -0.17 -0.04 0.95 0.73 2nmpA1 TRP 155 H 0.16 0.81 0.36 -0.55 7.97 8.76 2nmpA1 TRP 155 HA 0.03 0.16 1.02 -0.75 4.62 5.08 2nmpA1 TRP 155 HB2 0.04 0.04 -0.07 -0.04 3.23 3.19 2nmpA1 TRP 155 HB3 0.03 -0.01 0.17 -0.04 3.23 3.39 2nmpA1 TRP 155 HD1 0.17 -0.09 -0.42 -0.04 7.22 6.84 2nmpA1 TRP 155 HE1 0.12 -0.11 -0.12 -0.04 10.20 10.04 2nmpA1 TRP 155 HE3 0.19 0.07 -0.11 -0.04 7.59 7.70 2nmpA1 TRP 155 HZ2 0.04 -0.10 -0.09 -0.04 7.44 7.25 2nmpA1 TRP 155 HZ3 0.11 0.07 -0.08 -0.04 7.13 7.19 2nmpA1 TRP 155 HH2 0.02 -0.03 -0.13 -0.04 7.19 7.00 2nmpA1 ILE 156 H -0.39 0.62 0.36 -0.55 8.25 8.28 2nmpA1 ILE 156 HA 0.09 0.03 0.88 -0.75 4.18 4.43 2nmpA1 ILE 156 HB -0.10 0.18 0.03 -0.04 1.89 1.96 2nmpA1 ILE 156 HG12 -0.01 -0.02 -0.14 -0.04 1.49 1.27 2nmpA1 ILE 156 HG13 0.03 -0.05 -0.03 -0.04 1.21 1.12 2nmpA1 ILE 156 HG23 -0.08 -0.03 -0.23 -0.04 0.93 0.55 2nmpA1 ILE 156 HD13 -0.02 0.01 -0.23 -0.04 0.88 0.60 2nmpA1 GLU 157 H 0.07 0.26 0.21 -0.55 8.60 8.59 2nmpA1 GLU 157 HA -0.04 0.20 0.86 -0.75 4.29 4.55 2nmpA1 GLU 157 HB2 0.20 -0.04 0.03 -0.04 2.09 2.23 2nmpA1 GLU 157 HB3 0.04 0.04 0.06 -0.04 1.99 2.09 2nmpA1 GLU 157 HG2 -0.06 0.14 0.06 -0.04 2.34 2.44 2nmpA1 GLU 157 HG3 0.15 -0.04 0.09 -0.04 2.34 2.49 2nmpA1 THR 158 H -0.06 0.40 0.08 -0.55 8.28 8.15 2nmpA1 THR 158 HA -0.02 0.01 0.43 -0.75 4.39 4.05 2nmpA1 THR 158 HB -0.01 0.00 -0.16 -0.04 4.32 4.11 2nmpA1 THR 158 HG23 -0.02 0.03 -0.04 -0.04 1.22 1.14 2nmpA1 PRO 159 HA 0.01 0.19 0.37 -0.51 4.44 4.50 2nmpA1 PRO 159 HB2 0.11 0.05 -0.14 -0.04 2.28 2.26 2nmpA1 PRO 159 HB3 0.05 0.12 -0.17 -0.04 2.02 1.98 2nmpA1 PRO 159 HG2 0.16 0.04 0.04 -0.04 2.03 2.23 2nmpA1 PRO 159 HG3 0.00 0.08 0.03 -0.04 2.03 2.10 2nmpA1 PRO 159 HD2 0.18 -0.04 0.21 -0.04 3.68 3.99 2nmpA1 PRO 159 HD3 0.06 0.19 0.27 -0.04 3.65 4.13 2nmpA1 THR 160 H 0.02 0.59 0.13 -0.55 8.28 8.46 2nmpA1 THR 160 HA -0.10 0.03 0.29 -0.75 4.39 3.86 2nmpA1 THR 160 HB 0.03 0.31 0.08 -0.04 4.32 4.70 2nmpA1 THR 160 HG23 0.04 0.10 0.09 -0.04 1.22 1.41 2nmpA1 ASN 161 H -0.06 0.17 0.02 -0.55 8.53 8.12 2nmpA1 ASN 161 HA 0.06 0.19 0.69 -0.75 4.76 4.95 2nmpA1 ASN 161 HB2 -0.39 0.04 -0.03 -0.04 2.88 2.46 2nmpA1 ASN 161 HB3 0.16 -0.12 0.02 -0.04 2.79 2.81 2nmpA1 ASN 161 HD21 0.50 0.04 -0.09 -0.04 7.03 7.45 2nmpA1 ASN 161 HD22 0.37 -0.11 -0.03 -0.04 7.74 7.93 2nmpA1 PRO 162 HA 0.17 0.09 0.32 -0.51 4.44 4.51 2nmpA1 PRO 162 HB2 0.01 0.10 -0.02 -0.04 2.28 2.33 2nmpA1 PRO 162 HB3 0.04 -0.03 -0.03 -0.04 2.02 1.96 2nmpA1 PRO 162 HG2 -0.15 0.10 -0.17 -0.04 2.03 1.77 2nmpA1 PRO 162 HG3 -0.35 -0.02 -0.07 -0.04 2.03 1.55 2nmpA1 PRO 162 HD2 -0.17 0.05 0.02 -0.04 3.68 3.54 2nmpA1 PRO 162 HD3 -0.74 0.18 0.39 -0.04 3.65 3.45 2nmpA1 THR 163 H 0.00 0.09 -0.29 -0.55 8.28 7.53 2nmpA1 THR 163 HA 0.05 0.21 0.38 -0.75 4.39 4.27 2nmpA1 THR 163 HB 0.07 0.05 0.05 -0.04 4.32 4.45 2nmpA1 THR 163 HG23 0.02 0.10 -0.13 -0.04 1.22 1.18 2nmpA1 GLN 164 H 0.09 0.37 -0.40 -0.55 8.47 7.98 2nmpA1 GLN 164 HA 0.14 0.06 0.16 -0.75 4.36 3.96 2nmpA1 GLN 164 HB2 0.20 0.07 -0.52 -0.04 2.15 1.87 2nmpA1 GLN 164 HB3 0.28 0.02 -0.02 -0.04 2.02 2.26 2nmpA1 GLN 164 HG2 0.23 -0.02 -0.07 -0.04 2.40 2.50 2nmpA1 GLN 164 HG3 0.19 -0.09 -0.00 -0.04 2.39 2.45 2nmpA1 GLN 164 HE21 0.30 -0.12 -0.26 -0.04 6.97 6.85 2nmpA1 GLN 164 HE22 0.31 0.12 0.07 -0.04 7.69 8.15 2nmpA1 LYS 165 H 0.08 -0.05 -0.29 -0.55 8.42 7.61 2nmpA1 LYS 165 HA 0.13 0.17 0.61 -0.75 4.32 4.48 2nmpA1 LYS 165 HB2 0.06 -0.05 0.02 -0.04 1.87 1.86 2nmpA1 LYS 165 HB3 0.06 -0.07 -0.06 -0.04 1.79 1.68 2nmpA1 LYS 165 HG2 0.05 -0.00 0.02 -0.04 1.46 1.49 2nmpA1 LYS 165 HG3 0.05 0.12 0.02 -0.04 1.46 1.60 2nmpA1 LYS 165 HD2 0.03 0.08 -0.02 -0.04 1.69 1.74 2nmpA1 LYS 165 HD3 0.04 0.05 -0.04 -0.04 1.68 1.70 2nmpA1 LYS 165 HE2 0.05 -0.10 -0.02 -0.04 2.99 2.88 2nmpA1 LYS 165 HE3 0.04 -0.07 -0.04 -0.04 2.99 2.88 2nmpA1 VAL 166 H 0.16 0.21 0.19 -0.55 8.24 8.25 2nmpA1 VAL 166 HA 0.04 0.04 0.86 -0.75 4.13 4.32 2nmpA1 VAL 166 HB 0.09 -0.03 0.10 -0.04 2.12 2.24 2nmpA1 VAL 166 HG13 -0.02 0.01 -0.21 -0.04 0.97 0.71 2nmpA1 VAL 166 HG23 -0.06 0.05 -0.10 -0.04 0.95 0.80 2nmpA1 ILE 167 H 0.01 0.17 0.14 -0.55 8.25 8.02 2nmpA1 ILE 167 HA 0.02 0.18 0.82 -0.75 4.18 4.44 2nmpA1 ILE 167 HB -0.00 -0.00 -0.08 -0.04 1.89 1.77 2nmpA1 ILE 167 HG12 0.02 -0.04 -0.21 -0.04 1.49 1.22 2nmpA1 ILE 167 HG13 0.03 -0.01 -0.33 -0.04 1.21 0.86 2nmpA1 ILE 167 HG23 -0.01 0.01 -0.45 -0.04 0.93 0.44 2nmpA1 ILE 167 HD13 0.03 0.01 -0.11 -0.04 0.88 0.77 2nmpA1 ASP 168 H 0.00 0.22 0.07 -0.55 8.40 8.14 2nmpA1 ASP 168 HA -0.01 0.16 0.56 -0.75 4.63 4.58 2nmpA1 ASP 168 HB2 0.00 0.10 0.11 -0.04 2.71 2.88 2nmpA1 ASP 168 HB3 0.00 -0.02 0.21 -0.04 2.70 2.85 2nmpA1 ILE 169 H -0.02 0.38 0.16 -0.55 8.25 8.21 2nmpA1 ILE 169 HA -0.05 0.01 0.21 -0.75 4.18 3.60 2nmpA1 ILE 169 HB -0.02 0.04 0.13 -0.04 1.89 1.99 2nmpA1 ILE 169 HG12 -0.05 -0.07 -0.06 -0.04 1.49 1.27 2nmpA1 ILE 169 HG13 -0.02 0.13 0.04 -0.04 1.21 1.31 2nmpA1 ILE 169 HG23 -0.05 0.03 -0.16 -0.04 0.93 0.70 2nmpA1 ILE 169 HD13 -0.02 0.02 -0.03 -0.04 0.88 0.81 2nmpA1 GLU 170 H -0.03 0.09 -0.08 -0.55 8.60 8.04 2nmpA1 GLU 170 HA -0.13 0.48 0.51 -0.75 4.29 4.39 2nmpA1 GLU 170 HB2 -0.02 0.05 0.15 -0.04 2.09 2.22 2nmpA1 GLU 170 HB3 -0.00 -0.12 0.07 -0.04 1.99 1.89 2nmpA1 GLU 170 HG2 0.05 -0.05 -0.18 -0.04 2.34 2.13 2nmpA1 GLU 170 HG3 -0.08 0.12 0.03 -0.04 2.34 2.37 2nmpA1 GLY 171 H -0.01 0.03 -0.24 -0.55 8.43 7.66 2nmpA1 GLY 171 HA2 0.09 0.09 0.41 -0.51 4.01 4.10 2nmpA1 GLY 171 HA3 0.02 0.00 0.27 -0.51 4.01 3.79 2nmpA1 CYS 172 H -0.03 0.59 -0.14 -0.55 8.50 8.37 2nmpA1 CYS 172 HA -0.03 0.00 0.43 -0.75 4.58 4.22 2nmpA1 CYS 172 HB2 -0.06 0.14 0.09 -0.04 2.97 3.10 2nmpA1 CYS 172 HB3 -0.07 -0.03 -0.14 -0.04 2.97 2.69 2nmpA1 ALA 173 H -0.12 0.71 -0.09 -0.55 8.40 8.35 2nmpA1 ALA 173 HA -0.32 -0.05 0.24 -0.75 4.34 3.45 2nmpA1 ALA 173 HB3 -0.15 0.07 0.01 -0.04 1.41 1.29 2nmpA1 HIS 174 H -0.09 0.40 -0.35 -0.55 8.41 7.82 2nmpA1 HIS 174 HA 0.02 0.05 0.30 -0.75 4.63 4.25 2nmpA1 HIS 174 HB2 -0.01 0.04 0.14 -0.04 3.26 3.39 2nmpA1 HIS 174 HB3 -0.01 -0.04 -0.00 -0.04 3.20 3.10 2nmpA1 HIS 174 HD2 0.04 0.00 -0.03 -0.04 6.97 6.93 2nmpA1 HIS 174 HE1 0.01 -0.03 -0.04 -0.04 7.75 7.64 2nmpA1 ILE 175 H 0.01 0.40 -0.19 -0.55 8.25 7.93 2nmpA1 ILE 175 HA -0.00 0.02 0.41 -0.75 4.18 3.85 2nmpA1 ILE 175 HB -0.02 0.10 0.18 -0.04 1.89 2.12 2nmpA1 ILE 175 HG12 0.01 -0.05 -0.01 -0.04 1.49 1.40 2nmpA1 ILE 175 HG13 0.01 -0.04 -0.01 -0.04 1.21 1.12 2nmpA1 ILE 175 HG23 -0.01 -0.02 -0.22 -0.04 0.93 0.64 2nmpA1 ILE 175 HD13 0.02 -0.01 -0.07 -0.04 0.88 0.78 2nmpA1 VAL 176 H -0.14 0.51 -0.19 -0.55 8.24 7.88 2nmpA1 VAL 176 HA -0.05 0.09 0.42 -0.75 4.13 3.84 2nmpA1 VAL 176 HB -0.34 0.06 -0.03 -0.04 2.12 1.76 2nmpA1 VAL 176 HG13 -0.08 0.00 -0.28 -0.04 0.97 0.57 2nmpA1 VAL 176 HG23 -0.08 -0.01 -0.13 -0.04 0.95 0.68 2nmpA1 HIS 177 H -0.09 0.42 -0.25 -0.55 8.41 7.94 2nmpA1 HIS 177 HA 0.00 0.10 0.39 -0.75 4.63 4.37 2nmpA1 HIS 177 HB2 0.02 0.09 0.05 -0.04 3.26 3.38 2nmpA1 HIS 177 HB3 0.01 -0.10 0.09 -0.04 3.20 3.16 2nmpA1 HIS 177 HD2 0.00 0.09 -0.09 -0.04 6.97 6.93 2nmpA1 HIS 177 HE1 -0.04 0.28 0.09 -0.04 7.75 8.03 2nmpA1 LYS 178 H -0.02 0.19 -0.61 -0.55 8.42 7.43 2nmpA1 LYS 178 HA -0.10 -0.01 0.34 -0.75 4.32 3.80 2nmpA1 LYS 178 HB2 -0.10 0.17 0.13 -0.04 1.87 2.03 2nmpA1 LYS 178 HB3 -0.42 -0.02 -0.02 -0.04 1.79 1.29 2nmpA1 LYS 178 HG2 -0.21 -0.07 0.00 -0.04 1.46 1.14 2nmpA1 LYS 178 HG3 -0.17 -0.05 0.07 -0.04 1.46 1.27 2nmpA1 LYS 178 HD2 -0.02 0.15 0.01 -0.04 1.69 1.79 2nmpA1 LYS 178 HD3 -0.04 -0.04 -0.04 -0.04 1.68 1.52 2nmpA1 LYS 178 HE2 -0.05 -0.05 -0.03 -0.04 2.99 2.83 2nmpA1 LYS 178 HE3 -0.06 -0.03 -0.01 -0.04 2.99 2.85 2nmpA1 HIS 179 H -0.02 0.27 -0.19 -0.55 8.41 7.93 2nmpA1 HIS 179 HA 0.03 0.11 0.82 -0.75 4.63 4.83 2nmpA1 HIS 179 HB2 0.02 0.05 -0.01 -0.04 3.26 3.27 2nmpA1 HIS 179 HB3 0.02 -0.04 0.02 -0.04 3.20 3.15 2nmpA1 HIS 179 HD2 0.01 0.05 -0.08 -0.04 6.97 6.90 2nmpA1 HIS 179 HE1 0.01 -0.05 -0.03 -0.04 7.75 7.63 2nmpA1 GLY 180 H 0.12 0.04 0.09 -0.55 8.43 8.14 2nmpA1 GLY 180 HA2 0.07 0.03 -0.09 -0.51 4.01 3.51 2nmpA1 GLY 180 HA3 0.06 -0.02 0.25 -0.51 4.01 3.79 2nmpA1 ASP 181 H 0.05 0.07 0.10 -0.55 8.40 8.07 2nmpA1 ASP 181 HA 0.04 -0.06 0.31 -0.75 4.63 4.17 2nmpA1 ASP 181 HB2 0.03 -0.10 -0.06 -0.04 2.71 2.53 2nmpA1 ASP 181 HB3 0.03 0.22 0.03 -0.04 2.70 2.94 2nmpA1 ILE 182 H 0.09 0.14 -0.16 -0.55 8.25 7.78 2nmpA1 ILE 182 HA 0.05 0.32 0.63 -0.75 4.18 4.43 2nmpA1 ILE 182 HB 0.03 0.24 -0.10 -0.04 1.89 2.03 2nmpA1 ILE 182 HG12 0.03 -0.07 -0.61 -0.04 1.49 0.79 2nmpA1 ILE 182 HG13 0.01 -0.07 -0.41 -0.04 1.21 0.69 2nmpA1 ILE 182 HG23 0.05 0.06 -0.07 -0.04 0.93 0.93 2nmpA1 ILE 182 HD13 -0.01 -0.05 -0.43 -0.04 0.88 0.35 2nmpA1 ILE 183 H 0.05 0.59 0.15 -0.55 8.25 8.50 2nmpA1 ILE 183 HA 0.10 0.07 0.68 -0.75 4.18 4.29 2nmpA1 ILE 183 HB 0.07 0.03 0.20 -0.04 1.89 2.15 2nmpA1 ILE 183 HG12 0.06 -0.07 -0.07 -0.04 1.49 1.37 2nmpA1 ILE 183 HG13 0.06 0.11 -0.12 -0.04 1.21 1.21 2nmpA1 ILE 183 HG23 0.06 -0.04 -0.23 -0.04 0.93 0.68 2nmpA1 ILE 183 HD13 0.07 0.00 -0.07 -0.04 0.88 0.84 2nmpA1 LEU 184 H 0.09 0.16 0.19 -0.55 8.37 8.26 2nmpA1 LEU 184 HA -0.04 0.33 1.13 -0.75 4.35 5.02 2nmpA1 LEU 184 HB2 -0.14 0.12 -0.02 -0.04 1.64 1.56 2nmpA1 LEU 184 HB3 -0.03 -0.19 0.21 -0.04 1.64 1.58 2nmpA1 LEU 184 HG -0.11 -0.07 -0.31 -0.04 1.64 1.12 2nmpA1 LEU 184 HD13 -0.08 0.07 -0.07 -0.04 0.93 0.81 2nmpA1 LEU 184 HD23 -0.12 -0.00 -0.18 -0.04 0.89 0.54 2nmpA1 VAL 185 H -0.11 0.71 0.32 -0.55 8.24 8.61 2nmpA1 VAL 185 HA -0.23 0.16 1.01 -0.75 4.13 4.32 2nmpA1 VAL 185 HB -0.91 -0.08 0.11 -0.04 2.12 1.20 2nmpA1 VAL 185 HG13 -0.86 -0.03 -0.17 -0.04 0.97 -0.13 2nmpA1 VAL 185 HG23 0.03 0.03 -0.13 -0.04 0.95 0.84 2nmpA1 VAL 186 H -0.27 0.72 0.27 -0.55 8.24 8.41 2nmpA1 VAL 186 HA -0.31 0.26 0.95 -0.75 4.13 4.27 2nmpA1 VAL 186 HB -0.16 -0.00 0.20 -0.04 2.12 2.12 2nmpA1 VAL 186 HG13 -0.12 -0.02 -0.26 -0.04 0.97 0.53 2nmpA1 VAL 186 HG23 -0.11 -0.00 -0.13 -0.04 0.95 0.67 2nmpA1 ASP 187 H -0.39 0.75 0.28 -0.55 8.40 8.49 2nmpA1 ASP 187 HA -0.23 0.13 0.76 -0.75 4.63 4.54 2nmpA1 ASP 187 HB2 -0.08 0.06 0.13 -0.04 2.71 2.78 2nmpA1 ASP 187 HB3 -0.01 -0.05 0.33 -0.04 2.70 2.94 2nmpA1 ASN 188 H -0.38 0.88 0.44 -0.55 8.53 8.92 2nmpA1 ASN 188 HA -0.05 0.20 0.65 -0.75 4.76 4.81 2nmpA1 ASN 188 HB2 -0.26 0.06 0.01 -0.04 2.88 2.64 2nmpA1 ASN 188 HB3 -0.80 0.03 0.05 -0.04 2.79 2.03 2nmpA1 ASN 188 HD21 0.23 0.53 -0.21 -0.04 7.03 7.53 2nmpA1 ASN 188 HD22 0.30 -0.06 -0.09 -0.04 7.74 7.84 2nmpA1 THR 189 H 0.03 0.10 -0.15 -0.55 8.28 7.71 2nmpA1 THR 189 HA 0.36 0.04 0.36 -0.75 4.39 4.40 2nmpA1 THR 189 HB 0.27 0.04 0.07 -0.04 4.32 4.65 2nmpA1 THR 189 HG23 0.22 0.06 -0.02 -0.04 1.22 1.44 2nmpA1 PHE 190 H 0.42 0.11 -0.18 -0.55 8.34 8.14 2nmpA1 PHE 190 HA 0.36 0.03 0.47 -0.75 4.62 4.73 2nmpA1 PHE 190 HB2 0.12 0.05 0.02 -0.04 3.15 3.29 2nmpA1 PHE 190 HB3 0.14 0.06 -0.08 -0.04 3.06 3.14 2nmpA1 PHE 190 HD2 0.13 -0.07 -0.11 -0.04 7.28 7.19 2nmpA1 PHE 190 HE2 0.11 0.00 -0.10 -0.04 7.38 7.35 2nmpA1 PHE 190 HZ 0.14 -0.04 -0.07 -0.04 7.32 7.30 2nmpA1 MET 191 H 0.26 0.06 -0.16 -0.55 8.47 8.08 2nmpA1 MET 191 HA 0.17 0.10 0.58 -0.75 4.52 4.61 2nmpA1 MET 191 HB2 0.16 -0.01 0.18 -0.04 2.15 2.43 2nmpA1 MET 191 HB3 0.20 0.02 0.02 -0.04 2.03 2.22 2nmpA1 MET 191 HG2 0.14 -0.04 0.13 -0.04 2.63 2.83 2nmpA1 MET 191 HG3 0.08 0.05 0.02 -0.04 2.56 2.67 2nmpA1 MET 191 HE3 -0.08 0.02 -0.04 -0.04 2.10 1.95 2nmpA1 SER 192 H 0.30 0.57 0.12 -0.55 8.46 8.91 2nmpA1 SER 192 HA 0.46 -0.00 0.34 -0.75 4.49 4.53 2nmpA1 SER 192 HB2 0.13 -0.03 0.08 -0.04 3.95 4.09 2nmpA1 SER 192 HB3 0.11 0.03 -0.29 -0.04 3.93 3.73 2nmpA1 PRO 193 HA 0.26 0.43 0.26 -0.51 4.44 4.88 2nmpA1 PRO 193 HB2 0.37 0.24 -0.16 -0.04 2.28 2.68 2nmpA1 PRO 193 HB3 0.22 -0.00 -0.07 -0.04 2.02 2.12 2nmpA1 PRO 193 HG2 0.10 0.08 -0.05 -0.04 2.03 2.11 2nmpA1 PRO 193 HG3 -0.01 -0.04 -0.02 -0.04 2.03 1.92 2nmpA1 PRO 193 HD2 0.26 0.13 0.07 -0.04 3.68 4.10 2nmpA1 PRO 193 HD3 0.06 0.00 0.18 -0.04 3.65 3.86 2nmpA1 TYR 194 H 0.15 0.05 -0.57 -0.55 8.29 7.37 2nmpA1 TYR 194 HA -0.80 0.11 0.54 -0.75 4.56 3.66 2nmpA1 TYR 194 HB2 -0.59 -0.05 -0.03 -0.04 3.06 2.35 2nmpA1 TYR 194 HB3 -0.68 0.07 -0.04 -0.04 2.98 2.29 2nmpA1 TYR 194 HD2 -2.10 0.02 -0.11 -0.04 7.15 4.92 2nmpA1 TYR 194 HE2 -0.33 -0.03 -0.04 -0.04 6.85 6.41 2nmpA1 PHE 195 H 0.10 0.31 -0.22 -0.55 8.34 7.97 2nmpA1 PHE 195 HA -0.21 0.17 0.76 -0.75 4.62 4.58 2nmpA1 PHE 195 HB2 -0.03 0.13 0.00 -0.04 3.15 3.22 2nmpA1 PHE 195 HB3 -0.12 0.01 -0.04 -0.04 3.06 2.86 2nmpA1 PHE 195 HD2 -0.20 0.06 -0.20 -0.04 7.28 6.90 2nmpA1 PHE 195 HE2 0.01 0.02 -0.12 -0.04 7.38 7.25 2nmpA1 PHE 195 HZ 0.15 0.08 -0.16 -0.04 7.32 7.36 2nmpA1 GLN 196 H 0.26 0.35 -0.01 -0.55 8.47 8.52 2nmpA1 GLN 196 HA 0.23 0.22 0.83 -0.75 4.36 4.88 2nmpA1 GLN 196 HB2 0.12 0.05 -0.26 -0.04 2.15 2.02 2nmpA1 GLN 196 HB3 0.14 -0.08 0.02 -0.04 2.02 2.05 2nmpA1 GLN 196 HG2 0.06 -0.11 -0.20 -0.04 2.40 2.12 2nmpA1 GLN 196 HG3 0.08 0.20 0.03 -0.04 2.39 2.65 2nmpA1 GLN 196 HE21 0.02 0.26 0.05 -0.04 6.97 7.26 2nmpA1 GLN 196 HE22 0.04 -0.12 0.00 -0.04 7.69 7.57 2nmpA1 ARG 197 H 0.16 0.28 0.01 -0.55 8.46 8.36 2nmpA1 ARG 197 HA 0.04 0.19 0.92 -0.75 4.34 4.73 2nmpA1 ARG 197 HB2 -0.18 0.03 0.12 -0.04 1.90 1.84 2nmpA1 ARG 197 HB3 -0.14 -0.09 0.12 -0.04 1.80 1.64 2nmpA1 ARG 197 HG2 -0.12 0.02 0.04 -0.04 1.67 1.57 2nmpA1 ARG 197 HG3 -0.38 0.06 -0.27 -0.04 1.67 1.04 2nmpA1 ARG 197 HD2 -1.43 -0.06 -0.05 -0.04 3.22 1.65 2nmpA1 ARG 197 HD3 -0.39 -0.01 -0.15 -0.04 3.22 2.63 2nmpA1 PRO 198 HA -0.01 0.05 0.35 -0.51 4.44 4.32 2nmpA1 PRO 198 HB2 -0.06 0.03 0.00 -0.04 2.28 2.21 2nmpA1 PRO 198 HB3 -0.07 -0.01 0.03 -0.04 2.02 1.94 2nmpA1 PRO 198 HG2 -0.10 0.02 0.03 -0.04 2.03 1.94 2nmpA1 PRO 198 HG3 -0.03 0.04 -0.03 -0.04 2.03 1.97 2nmpA1 PRO 198 HD2 0.02 0.11 0.13 -0.04 3.68 3.90 2nmpA1 PRO 198 HD3 0.05 0.28 -0.40 -0.04 3.65 3.54 2nmpA1 LEU 199 H -0.01 0.16 -0.28 -0.55 8.37 7.69 2nmpA1 LEU 199 HA -0.01 0.15 0.32 -0.75 4.35 4.06 2nmpA1 LEU 199 HB2 -0.02 0.16 -0.04 -0.04 1.64 1.70 2nmpA1 LEU 199 HB3 -0.01 0.06 -0.14 -0.04 1.64 1.51 2nmpA1 LEU 199 HG 0.01 -0.12 -0.18 -0.04 1.64 1.31 2nmpA1 LEU 199 HD13 0.02 0.02 -0.32 -0.04 0.93 0.62 2nmpA1 LEU 199 HD23 0.01 0.00 -0.41 -0.04 0.89 0.46 2nmpA1 ALA 200 H -0.04 0.18 -0.17 -0.55 8.40 7.83 2nmpA1 ALA 200 HA -0.02 0.05 0.50 -0.75 4.34 4.12 2nmpA1 ALA 200 HB3 -0.03 0.05 0.09 -0.04 1.41 1.48 2nmpA1 LEU 201 H -0.01 0.28 -0.58 -0.55 8.37 7.51 2nmpA1 LEU 201 HA -0.01 0.17 0.61 -0.75 4.35 4.36 2nmpA1 LEU 201 HB2 -0.02 0.03 0.06 -0.04 1.64 1.68 2nmpA1 LEU 201 HB3 -0.03 -0.21 0.12 -0.04 1.64 1.48 2nmpA1 LEU 201 HG 0.02 0.10 -0.11 -0.04 1.64 1.61 2nmpA1 LEU 201 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 2nmpA1 LEU 201 HD23 0.02 0.01 0.01 -0.04 0.89 0.89 2nmpA1 GLY 202 H -0.02 0.46 -0.33 -0.55 8.43 7.99 2nmpA1 GLY 202 HA2 -0.01 0.03 0.27 -0.51 4.01 3.80 2nmpA1 GLY 202 HA3 -0.07 0.10 0.71 -0.51 4.01 4.24 2nmpA1 ALA 203 H -0.02 0.32 -0.18 -0.55 8.40 7.98 2nmpA1 ALA 203 HA 0.01 0.04 0.46 -0.75 4.34 4.10 2nmpA1 ALA 203 HB3 -0.05 -0.04 -0.19 -0.04 1.41 1.09 2nmpA1 ASP 204 H 0.03 0.28 0.32 -0.55 8.40 8.47 2nmpA1 ASP 204 HA 0.03 0.14 0.87 -0.75 4.63 4.92 2nmpA1 ASP 204 HB2 0.05 0.07 0.26 -0.04 2.71 3.05 2nmpA1 ASP 204 HB3 0.05 -0.07 0.06 -0.04 2.70 2.71 2nmpA1 ILE 205 H -0.04 0.45 0.35 -0.55 8.25 8.46 2nmpA1 ILE 205 HA 0.02 0.37 0.98 -0.75 4.18 4.80 2nmpA1 ILE 205 HB -0.08 -0.10 0.09 -0.04 1.89 1.76 2nmpA1 ILE 205 HG12 0.05 0.11 -0.09 -0.04 1.49 1.52 2nmpA1 ILE 205 HG13 0.03 -0.07 -0.40 -0.04 1.21 0.72 2nmpA1 ILE 205 HG23 -0.02 -0.00 -0.21 -0.04 0.93 0.66 2nmpA1 ILE 205 HD13 0.07 -0.00 -0.14 -0.04 0.88 0.77 2nmpA1 SER 206 H 0.00 0.72 0.25 -0.55 8.46 8.88 2nmpA1 SER 206 HA -0.18 0.22 0.89 -0.75 4.49 4.67 2nmpA1 SER 206 HB2 -0.03 -0.08 0.02 -0.04 3.95 3.82 2nmpA1 SER 206 HB3 0.04 0.03 0.17 -0.04 3.93 4.14 2nmpA1 MET 207 H -0.31 0.67 0.30 -0.55 8.47 8.59 2nmpA1 MET 207 HA 0.02 0.33 1.00 -0.75 4.52 5.12 2nmpA1 MET 207 HB2 -0.10 0.05 -0.09 -0.04 2.15 1.96 2nmpA1 MET 207 HB3 -0.29 -0.04 -0.06 -0.04 2.03 1.59 2nmpA1 MET 207 HG2 0.11 0.09 0.03 -0.04 2.63 2.82 2nmpA1 MET 207 HG3 0.19 0.03 -0.14 -0.04 2.56 2.59 2nmpA1 MET 207 HE3 0.17 0.04 -0.21 -0.04 2.10 2.06 2nmpA1 TYR 208 H 0.23 0.82 0.43 -0.55 8.29 9.22 2nmpA1 TYR 208 HA 0.09 0.02 0.85 -0.75 4.56 4.77 2nmpA1 TYR 208 HB2 0.09 -0.05 0.00 -0.04 3.06 3.06 2nmpA1 TYR 208 HB3 0.10 0.02 -0.21 -0.04 2.98 2.84 2nmpA1 TYR 208 HD2 0.10 0.02 -0.22 -0.04 7.15 7.01 2nmpA1 TYR 208 HE2 0.08 0.05 -0.12 -0.04 6.85 6.82 2nmpA1 SER 209 H 0.15 0.17 0.15 -0.55 8.46 8.39 2nmpA1 SER 209 HA 0.10 0.11 0.99 -0.75 4.49 4.93 2nmpA1 SER 209 HB2 -0.01 -0.06 0.22 -0.04 3.95 4.07 2nmpA1 SER 209 HB3 0.03 0.02 0.26 -0.04 3.93 4.21 2nmpA1 ALA 210 H 0.12 0.36 -0.11 -0.55 8.40 8.23 2nmpA1 ALA 210 HA 0.09 0.04 0.42 -0.75 4.34 4.14 2nmpA1 ALA 210 HB3 0.05 0.04 -0.16 -0.04 1.41 1.30 2nmpA1 THR 211 H 0.04 0.11 -0.24 -0.55 8.28 7.65 2nmpA1 THR 211 HA 0.01 0.34 0.48 -0.75 4.39 4.47 2nmpA1 THR 211 HB -0.01 -0.02 -0.00 -0.04 4.32 4.25 2nmpA1 THR 211 HG23 -0.01 0.07 0.12 -0.04 1.22 1.35 2nmpA1 LYS 212 H 0.02 0.05 -0.94 -0.55 8.42 6.99 2nmpA1 LYS 212 HA -0.15 0.33 0.63 -0.75 4.32 4.39 2nmpA1 LYS 212 HB2 0.03 0.09 0.15 -0.04 1.87 2.11 2nmpA1 LYS 212 HB3 -0.19 -0.00 0.13 -0.04 1.79 1.69 2nmpA1 LYS 212 HG2 -0.02 -0.07 -0.08 -0.04 1.46 1.25 2nmpA1 LYS 212 HG3 -0.15 0.16 -0.09 -0.04 1.46 1.34 2nmpA1 LYS 212 HD2 -0.05 -0.09 -0.52 -0.04 1.69 0.98 2nmpA1 LYS 212 HD3 -0.03 -0.10 -0.05 -0.04 1.68 1.45 2nmpA1 LYS 212 HE2 -0.06 -0.03 -0.04 -0.04 2.99 2.82 2nmpA1 LYS 212 HE3 -0.05 0.02 -0.05 -0.04 2.99 2.87 2nmpA1 TYR 213 H 0.04 0.15 0.15 -0.55 8.29 8.08 2nmpA1 TYR 213 HA -0.04 0.38 0.47 -0.75 4.56 4.62 2nmpA1 TYR 213 HB2 0.06 0.03 0.15 -0.04 3.06 3.26 2nmpA1 TYR 213 HB3 0.03 0.04 -0.07 -0.04 2.98 2.93 2nmpA1 TYR 213 HD2 -0.09 0.16 0.12 -0.04 7.15 7.31 2nmpA1 TYR 213 HE2 -0.74 0.01 0.08 -0.04 6.85 6.16 2nmpA1 MET 214 H 0.15 -0.04 -0.03 -0.55 8.47 8.00 2nmpA1 MET 214 HA 0.06 0.09 0.33 -0.75 4.52 4.24 2nmpA1 MET 214 HB2 0.02 -0.14 0.14 -0.04 2.15 2.13 2nmpA1 MET 214 HB3 -0.05 0.08 -0.00 -0.04 2.03 2.01 2nmpA1 MET 214 HG2 0.09 -0.05 0.06 -0.04 2.63 2.69 2nmpA1 MET 214 HG3 -0.23 -0.09 -0.06 -0.04 2.56 2.14 2nmpA1 MET 214 HE3 -0.42 0.02 -0.04 -0.04 2.10 1.61 2nmpA1 ASN 215 H 0.05 0.43 -0.11 -0.55 8.53 8.36 2nmpA1 ASN 215 HA 0.07 0.15 0.68 -0.75 4.76 4.90 2nmpA1 ASN 215 HB2 0.04 -0.06 -0.03 -0.04 2.88 2.79 2nmpA1 ASN 215 HB3 0.04 0.02 0.03 -0.04 2.79 2.84 2nmpA1 ASN 215 HD21 0.09 0.08 -0.22 -0.04 7.03 6.94 2nmpA1 ASN 215 HD22 0.05 -0.07 -0.13 -0.04 7.74 7.55 2nmpA1 GLY 216 H 0.04 0.41 -0.07 -0.55 8.43 8.25 2nmpA1 GLY 216 HA2 -0.03 0.30 0.43 -0.51 4.01 4.20 2nmpA1 GLY 216 HA3 0.06 0.15 0.23 -0.51 4.01 3.94 2nmpA1 HIS 217 H 0.13 0.00 -0.49 -0.55 8.41 7.51 2nmpA1 HIS 217 HA -0.07 0.15 0.87 -0.75 4.63 4.83 2nmpA1 HIS 217 HB2 0.08 -0.01 -0.04 -0.04 3.26 3.25 2nmpA1 HIS 217 HB3 0.23 -0.01 0.12 -0.04 3.20 3.49 2nmpA1 HIS 217 HD2 0.22 -0.05 -0.00 -0.04 6.97 7.09 2nmpA1 HIS 217 HE1 0.07 0.07 0.04 -0.04 7.75 7.89 2nmpA1 SER 218 H -0.10 0.16 -0.09 -0.55 8.46 7.87 2nmpA1 SER 218 HA -0.10 0.09 0.31 -0.75 4.49 4.03 2nmpA1 SER 218 HB2 -0.41 0.06 -0.50 -0.04 3.95 3.07 2nmpA1 SER 218 HB3 -0.15 0.03 0.10 -0.04 3.93 3.87 2nmpA1 ASP 219 H 0.03 -0.10 -0.38 -0.55 8.40 7.41 2nmpA1 ASP 219 HA 0.02 0.21 0.88 -0.75 4.63 4.98 2nmpA1 ASP 219 HB2 0.04 -0.04 0.12 -0.04 2.71 2.79 2nmpA1 ASP 219 HB3 0.06 0.12 -0.13 -0.04 2.70 2.71 2nmpA1 VAL 220 H 0.02 0.07 0.02 -0.55 8.24 7.80 2nmpA1 VAL 220 HA 0.02 0.25 0.91 -0.75 4.13 4.56 2nmpA1 VAL 220 HB 0.02 -0.08 -0.08 -0.04 2.12 1.95 2nmpA1 VAL 220 HG13 0.02 -0.01 -0.35 -0.04 0.97 0.59 2nmpA1 VAL 220 HG23 0.02 0.02 -0.22 -0.04 0.95 0.73 2nmpA1 VAL 221 H 0.02 0.23 0.07 -0.55 8.24 8.02 2nmpA1 VAL 221 HA 0.02 0.05 1.02 -0.75 4.13 4.46 2nmpA1 VAL 221 HB 0.02 0.06 0.20 -0.04 2.12 2.36 2nmpA1 VAL 221 HG13 0.02 0.05 0.02 -0.04 0.97 1.02 2nmpA1 VAL 221 HG23 0.01 0.01 -0.04 -0.04 0.95 0.89 2nmpA1 MET 222 H 0.04 0.05 0.12 -0.55 8.47 8.13 2nmpA1 MET 222 HA 0.06 0.31 0.27 -0.75 4.52 4.41 2nmpA1 MET 222 HB2 0.04 0.11 -0.47 -0.04 2.15 1.79 2nmpA1 MET 222 HB3 0.05 -0.15 -0.27 -0.04 2.03 1.62 2nmpA1 MET 222 HG2 0.08 -0.06 -0.21 -0.04 2.63 2.40 2nmpA1 MET 222 HG3 0.06 0.33 0.16 -0.04 2.56 3.07 2nmpA1 MET 222 HE3 0.02 0.03 -0.27 -0.04 2.10 1.84 2nmpA1 GLY 223 H 0.14 0.74 -0.03 -0.55 8.43 8.73 2nmpA1 GLY 223 HA2 0.15 0.07 0.93 -0.51 4.01 4.65 2nmpA1 GLY 223 HA3 0.17 0.10 -0.10 -0.51 4.01 3.68 2nmpA1 LEU 224 H 0.24 0.60 0.38 -0.55 8.37 9.04 2nmpA1 LEU 224 HA 0.23 0.38 1.10 -0.75 4.35 5.30 2nmpA1 LEU 224 HB2 0.24 -0.14 0.03 -0.04 1.64 1.73 2nmpA1 LEU 224 HB3 0.16 0.12 -0.08 -0.04 1.64 1.80 2nmpA1 LEU 224 HG 0.09 -0.20 -0.48 -0.04 1.64 1.01 2nmpA1 LEU 224 HD13 -0.08 0.01 -0.14 -0.04 0.93 0.69 2nmpA1 LEU 224 HD23 0.04 0.06 -0.09 -0.04 0.89 0.86 2nmpA1 VAL 225 H 0.26 0.65 0.33 -0.55 8.24 8.93 2nmpA1 VAL 225 HA 0.20 0.16 1.09 -0.75 4.13 4.82 2nmpA1 VAL 225 HB 0.43 0.01 0.09 -0.04 2.12 2.61 2nmpA1 VAL 225 HG13 0.16 -0.00 -0.25 -0.04 0.97 0.84 2nmpA1 VAL 225 HG23 0.16 -0.03 -0.20 -0.04 0.95 0.84 2nmpA1 SER 226 H 0.15 0.83 0.37 -0.55 8.46 9.26 2nmpA1 SER 226 HA 0.15 0.26 1.07 -0.75 4.49 5.22 2nmpA1 SER 226 HB2 0.16 -0.04 0.17 -0.04 3.95 4.20 2nmpA1 SER 226 HB3 0.09 0.04 -0.00 -0.04 3.93 4.03 2nmpA1 VAL 227 H 0.14 0.52 0.22 -0.55 8.24 8.57 2nmpA1 VAL 227 HA 0.08 0.24 0.80 -0.75 4.13 4.50 2nmpA1 VAL 227 HB 0.14 -0.02 -0.41 -0.04 2.12 1.79 2nmpA1 VAL 227 HG13 0.23 0.00 -0.24 -0.04 0.97 0.92 2nmpA1 VAL 227 HG23 0.09 0.04 0.05 -0.04 0.95 1.10 2nmpA1 ASN 228 H 0.07 0.17 0.24 -0.55 8.53 8.46 2nmpA1 ASN 228 HA 0.08 0.09 1.06 -0.75 4.76 5.24 2nmpA1 ASN 228 HB2 0.03 0.04 0.16 -0.04 2.88 3.07 2nmpA1 ASN 228 HB3 0.02 0.02 0.01 -0.04 2.79 2.80 2nmpA1 ASN 228 HD21 -0.01 0.12 -0.10 -0.04 7.03 7.00 2nmpA1 ASN 228 HD22 -0.00 0.07 -0.03 -0.04 7.74 7.74 2nmpA1 CYS 229 H 0.06 0.07 0.20 -0.55 8.50 8.28 2nmpA1 CYS 229 HA 0.05 0.08 0.41 -0.75 4.58 4.37 2nmpA1 CYS 229 HB2 0.02 0.14 0.20 -0.04 2.97 3.28 2nmpA1 CYS 229 HB3 0.05 -0.04 0.16 -0.04 2.97 3.09 2nmpA1 GLU 230 H 0.05 0.16 0.22 -0.55 8.60 8.48 2nmpA1 GLU 230 HA 0.06 0.16 0.30 -0.75 4.29 4.05 2nmpA1 GLU 230 HB2 0.06 0.05 0.19 -0.04 2.09 2.35 2nmpA1 GLU 230 HB3 0.03 -0.03 0.12 -0.04 1.99 2.07 2nmpA1 GLU 230 HG2 0.05 0.03 0.01 -0.04 2.34 2.39 2nmpA1 GLU 230 HG3 0.04 -0.02 -0.03 -0.04 2.34 2.29 2nmpA1 SER 231 H 0.02 0.11 0.04 -0.55 8.46 8.08 2nmpA1 SER 231 HA 0.00 0.10 0.43 -0.75 4.49 4.27 2nmpA1 SER 231 HB2 0.00 0.08 0.07 -0.04 3.95 4.05 2nmpA1 SER 231 HB3 0.01 0.00 0.12 -0.04 3.93 4.02 2nmpA1 LEU 232 H 0.04 0.00 -0.49 -0.55 8.37 7.38 2nmpA1 LEU 232 HA 0.04 0.11 0.28 -0.75 4.35 4.02 2nmpA1 LEU 232 HB2 0.05 -0.09 0.04 -0.04 1.64 1.59 2nmpA1 LEU 232 HB3 0.07 0.05 -0.02 -0.04 1.64 1.71 2nmpA1 LEU 232 HG 0.06 0.02 -0.06 -0.04 1.64 1.62 2nmpA1 LEU 232 HD13 0.07 0.00 -0.06 -0.04 0.93 0.90 2nmpA1 LEU 232 HD23 0.04 0.01 -0.03 -0.04 0.89 0.87 2nmpA1 HIS 233 H 0.10 0.54 -0.13 -0.55 8.41 8.37 2nmpA1 HIS 233 HA -0.04 -0.03 0.40 -0.75 4.63 4.20 2nmpA1 HIS 233 HB2 -0.23 -0.00 -0.06 -0.04 3.26 2.93 2nmpA1 HIS 233 HB3 -0.34 0.17 0.08 -0.04 3.20 3.06 2nmpA1 HIS 233 HD2 -0.07 -0.06 -0.12 -0.04 6.97 6.67 2nmpA1 HIS 233 HE1 -0.19 0.03 -0.08 -0.04 7.75 7.47 2nmpA1 ASN 234 H -0.03 0.48 -0.14 -0.55 8.53 8.29 2nmpA1 ASN 234 HA -0.18 0.02 0.40 -0.75 4.76 4.25 2nmpA1 ASN 234 HB2 -0.03 0.08 0.09 -0.04 2.88 2.97 2nmpA1 ASN 234 HB3 -0.03 -0.02 0.03 -0.04 2.79 2.73 2nmpA1 ASN 234 HD21 0.01 -0.05 -0.07 -0.04 7.03 6.88 2nmpA1 ASN 234 HD22 -0.01 -0.02 -0.02 -0.04 7.74 7.65 2nmpA1 ARG 235 H -0.01 0.49 -0.23 -0.55 8.46 8.16 2nmpA1 ARG 235 HA 0.03 0.03 0.46 -0.75 4.34 4.10 2nmpA1 ARG 235 HB2 0.03 0.14 0.22 -0.04 1.90 2.25 2nmpA1 ARG 235 HB3 0.05 0.00 -0.01 -0.04 1.80 1.81 2nmpA1 ARG 235 HG2 -0.02 0.02 0.03 -0.04 1.67 1.66 2nmpA1 ARG 235 HG3 -0.03 -0.05 0.03 -0.04 1.67 1.59 2nmpA1 ARG 235 HD2 -0.01 -0.06 -0.04 -0.04 3.22 3.07 2nmpA1 ARG 235 HD3 0.01 -0.05 -0.11 -0.04 3.22 3.03 2nmpA1 LEU 236 H 0.03 0.70 0.05 -0.55 8.37 8.60 2nmpA1 LEU 236 HA 0.12 0.01 0.39 -0.75 4.35 4.12 2nmpA1 LEU 236 HB2 0.03 0.10 0.13 -0.04 1.64 1.86 2nmpA1 LEU 236 HB3 0.10 -0.05 -0.12 -0.04 1.64 1.53 2nmpA1 LEU 236 HG 0.19 -0.08 -0.12 -0.04 1.64 1.60 2nmpA1 LEU 236 HD13 0.12 -0.01 -0.12 -0.04 0.93 0.88 2nmpA1 LEU 236 HD23 0.12 0.00 -0.22 -0.04 0.89 0.75 2nmpA1 ARG 237 H -0.15 0.73 -0.28 -0.55 8.46 8.21 2nmpA1 ARG 237 HA -0.10 -0.06 0.17 -0.75 4.34 3.60 2nmpA1 ARG 237 HB2 -0.52 0.10 0.05 -0.04 1.90 1.48 2nmpA1 ARG 237 HB3 -0.14 0.08 0.03 -0.04 1.80 1.73 2nmpA1 ARG 237 HG2 -0.10 0.00 -0.04 -0.04 1.67 1.49 2nmpA1 ARG 237 HG3 -0.10 -0.04 0.03 -0.04 1.67 1.53 2nmpA1 ARG 237 HD2 -0.40 -0.01 -0.05 -0.04 3.22 2.72 2nmpA1 ARG 237 HD3 -0.06 0.00 -0.04 -0.04 3.22 3.08 2nmpA1 PHE 238 H 0.13 0.54 -0.25 -0.55 8.34 8.21 2nmpA1 PHE 238 HA -0.03 -0.00 0.47 -0.75 4.62 4.30 2nmpA1 PHE 238 HB2 -0.03 0.03 0.16 -0.04 3.15 3.26 2nmpA1 PHE 238 HB3 -0.01 0.22 0.24 -0.04 3.06 3.47 2nmpA1 PHE 238 HD2 -0.00 0.03 -0.04 -0.04 7.28 7.22 2nmpA1 PHE 238 HE2 0.01 0.00 -0.03 -0.04 7.38 7.32 2nmpA1 PHE 238 HZ 0.00 -0.01 -0.02 -0.04 7.32 7.25 2nmpA1 LEU 239 H 0.20 0.61 -0.06 -0.55 8.37 8.57 2nmpA1 LEU 239 HA -0.08 -0.02 0.42 -0.75 4.35 3.93 2nmpA1 LEU 239 HB2 0.13 0.07 0.08 -0.04 1.64 1.88 2nmpA1 LEU 239 HB3 0.07 -0.08 0.01 -0.04 1.64 1.59 2nmpA1 LEU 239 HG 0.30 0.13 0.03 -0.04 1.64 2.06 2nmpA1 LEU 239 HD13 0.17 0.03 -0.25 -0.04 0.93 0.83 2nmpA1 LEU 239 HD23 0.22 -0.02 -0.04 -0.04 0.89 1.01 2nmpA1 GLN 240 H 0.07 0.67 -0.17 -0.55 8.47 8.49 2nmpA1 GLN 240 HA 0.22 -0.07 0.39 -0.75 4.36 4.15 2nmpA1 GLN 240 HB2 0.04 -0.01 0.01 -0.04 2.15 2.15 2nmpA1 GLN 240 HB3 -0.07 0.18 0.08 -0.04 2.02 2.17 2nmpA1 GLN 240 HG2 -0.17 -0.03 -0.05 -0.04 2.40 2.10 2nmpA1 GLN 240 HG3 -0.68 -0.02 -0.02 -0.04 2.39 1.63 2nmpA1 GLN 240 HE21 -0.19 -0.05 0.08 -0.04 6.97 6.78 2nmpA1 GLN 240 HE22 -0.42 0.29 0.14 -0.04 7.69 7.65 2nmpA1 ASN 241 H -0.12 0.43 -0.34 -0.55 8.53 7.96 2nmpA1 ASN 241 HA -0.09 0.04 0.52 -0.75 4.76 4.47 2nmpA1 ASN 241 HB2 -0.16 0.21 0.25 -0.04 2.88 3.15 2nmpA1 ASN 241 HB3 -0.21 -0.02 -0.03 -0.04 2.79 2.50 2nmpA1 ASN 241 HD21 -0.06 -0.01 0.02 -0.04 7.03 6.94 2nmpA1 ASN 241 HD22 -0.08 -0.01 0.01 -0.04 7.74 7.62 2nmpA1 SER 242 H -0.31 0.46 0.07 -0.55 8.46 8.13 2nmpA1 SER 242 HA -0.21 0.08 0.47 -0.75 4.49 4.08 2nmpA1 SER 242 HB2 -0.35 -0.00 0.05 -0.04 3.95 3.60 2nmpA1 SER 242 HB3 -0.29 -0.04 0.06 -0.04 3.93 3.61 2nmpA1 LEU 243 H -0.11 0.54 -0.06 -0.55 8.37 8.19 2nmpA1 LEU 243 HA -0.11 0.12 0.58 -0.75 4.35 4.19 2nmpA1 LEU 243 HB2 -0.06 0.10 0.07 -0.04 1.64 1.70 2nmpA1 LEU 243 HB3 -0.13 -0.10 0.03 -0.04 1.64 1.40 2nmpA1 LEU 243 HG -0.15 0.06 0.04 -0.04 1.64 1.55 2nmpA1 LEU 243 HD13 -0.51 -0.03 -0.08 -0.04 0.93 0.27 2nmpA1 LEU 243 HD23 -0.25 0.01 -0.10 -0.04 0.89 0.51 2nmpA1 GLY 244 H -0.05 0.22 -0.46 -0.55 8.43 7.58 2nmpA1 GLY 244 HA2 -0.03 0.10 0.29 -0.51 4.01 3.86 2nmpA1 GLY 244 HA3 -0.03 0.06 0.26 -0.51 4.01 3.78 2nmpA1 ALA 245 H 0.05 0.13 -0.29 -0.55 8.40 7.74 2nmpA1 ALA 245 HA 0.03 0.21 0.81 -0.75 4.34 4.63 2nmpA1 ALA 245 HB3 0.07 -0.03 0.08 -0.04 1.41 1.49 2nmpA1 VAL 246 H 0.01 0.35 -0.39 -0.55 8.24 7.66 2nmpA1 VAL 246 HA -0.04 0.17 0.48 -0.75 4.13 3.98 2nmpA1 VAL 246 HB -0.04 0.05 0.03 -0.04 2.12 2.13 2nmpA1 VAL 246 HG13 -0.05 -0.01 -0.05 -0.04 0.97 0.82 2nmpA1 VAL 246 HG23 -0.01 0.01 -0.08 -0.04 0.95 0.83 2nmpA1 PRO 247 HA 0.02 0.10 0.66 -0.51 4.44 4.71 2nmpA1 PRO 247 HB2 0.01 0.02 -0.15 -0.04 2.28 2.12 2nmpA1 PRO 247 HB3 0.03 0.07 -0.02 -0.04 2.02 2.05 2nmpA1 PRO 247 HG2 -0.03 -0.01 -0.13 -0.04 2.03 1.83 2nmpA1 PRO 247 HG3 0.00 0.06 -0.30 -0.04 2.03 1.75 2nmpA1 PRO 247 HD2 -0.06 0.08 0.06 -0.04 3.68 3.72 2nmpA1 PRO 247 HD3 -0.10 0.35 -0.06 -0.04 3.65 3.80 2nmpA1 SER 248 H 0.01 0.12 0.15 -0.55 8.46 8.20 2nmpA1 SER 248 HA 0.01 0.23 0.59 -0.75 4.49 4.57 2nmpA1 SER 248 HB2 0.01 0.14 0.18 -0.04 3.95 4.24 2nmpA1 SER 248 HB3 0.02 -0.10 0.19 -0.04 3.93 3.99 2nmpA1 PRO 249 HA 0.02 0.05 0.35 -0.51 4.44 4.35 2nmpA1 PRO 249 HB2 -0.01 -0.02 -0.13 -0.04 2.28 2.08 2nmpA1 PRO 249 HB3 0.01 0.00 0.09 -0.04 2.02 2.09 2nmpA1 PRO 249 HG2 0.00 0.12 0.13 -0.04 2.03 2.24 2nmpA1 PRO 249 HG3 0.02 0.09 0.14 -0.04 2.03 2.25 2nmpA1 PRO 249 HD2 0.00 0.06 0.24 -0.04 3.68 3.94 2nmpA1 PRO 249 HD3 0.01 0.27 0.26 -0.04 3.65 4.15 2nmpA1 ILE 250 H 0.01 0.12 -0.34 -0.55 8.25 7.50 2nmpA1 ILE 250 HA 0.03 0.11 0.37 -0.75 4.18 3.95 2nmpA1 ILE 250 HB 0.01 -0.02 0.02 -0.04 1.89 1.87 2nmpA1 ILE 250 HG12 -0.02 -0.06 -0.06 -0.04 1.49 1.30 2nmpA1 ILE 250 HG13 -0.01 0.03 0.01 -0.04 1.21 1.20 2nmpA1 ILE 250 HG23 0.02 0.02 -0.09 -0.04 0.93 0.84 2nmpA1 ILE 250 HD13 -0.05 0.02 -0.01 -0.04 0.88 0.80 2nmpA1 ASP 251 H 0.03 0.08 -0.21 -0.55 8.40 7.76 2nmpA1 ASP 251 HA 0.04 0.06 0.36 -0.75 4.63 4.33 2nmpA1 ASP 251 HB2 0.02 0.10 0.14 -0.04 2.71 2.93 2nmpA1 ASP 251 HB3 0.02 0.00 -0.03 -0.04 2.70 2.65 2nmpA1 CYS 252 H 0.03 0.47 -0.32 -0.55 8.50 8.13 2nmpA1 CYS 252 HA 0.01 -0.02 0.34 -0.75 4.58 4.15 2nmpA1 CYS 252 HB2 0.04 0.10 -0.01 -0.04 2.97 3.05 2nmpA1 CYS 252 HB3 0.02 0.13 -0.16 -0.04 2.97 2.92 2nmpA1 TYR 253 H 0.14 0.48 -0.17 -0.55 8.29 8.19 2nmpA1 TYR 253 HA -0.03 0.08 0.32 -0.75 4.56 4.18 2nmpA1 TYR 253 HB2 -0.05 -0.03 0.12 -0.04 3.06 3.05 2nmpA1 TYR 253 HB3 -0.04 0.16 0.19 -0.04 2.98 3.25 2nmpA1 TYR 253 HD2 -0.06 0.04 -0.11 -0.04 7.15 6.98 2nmpA1 TYR 253 HE2 -0.06 0.03 -0.09 -0.04 6.85 6.69 2nmpA1 LEU 254 H 0.08 0.45 -0.23 -0.55 8.37 8.12 2nmpA1 LEU 254 HA -0.16 0.05 0.37 -0.75 4.35 3.84 2nmpA1 LEU 254 HB2 0.05 0.11 0.14 -0.04 1.64 1.90 2nmpA1 LEU 254 HB3 0.00 -0.05 -0.09 -0.04 1.64 1.46 2nmpA1 LEU 254 HG 0.02 -0.02 -0.05 -0.04 1.64 1.55 2nmpA1 LEU 254 HD13 0.14 0.00 -0.04 -0.04 0.93 1.00 2nmpA1 LEU 254 HD23 0.05 0.00 -0.10 -0.04 0.89 0.81 2nmpA1 CYS 255 H -0.04 0.65 -0.06 -0.55 8.50 8.50 2nmpA1 CYS 255 HA -0.02 -0.01 0.50 -0.75 4.58 4.30 2nmpA1 CYS 255 HB2 0.00 -0.03 -0.01 -0.04 2.97 2.89 2nmpA1 CYS 255 HB3 -0.02 0.11 0.06 -0.04 2.97 3.08 2nmpA1 ASN 256 H -0.10 0.63 -0.10 -0.55 8.53 8.41 2nmpA1 ASN 256 HA -0.07 0.01 0.41 -0.75 4.76 4.34 2nmpA1 ASN 256 HB2 -0.07 0.04 0.09 -0.04 2.88 2.90 2nmpA1 ASN 256 HB3 -0.19 0.13 0.02 -0.04 2.79 2.71 2nmpA1 ASN 256 HD21 -0.05 0.12 -0.04 -0.04 7.03 7.03 2nmpA1 ASN 256 HD22 -0.08 -0.03 0.11 -0.04 7.74 7.69 2nmpA1 ARG 257 H -0.28 0.20 -0.51 -0.55 8.46 7.33 2nmpA1 ARG 257 HA -0.21 0.08 0.48 -0.75 4.34 3.94 2nmpA1 ARG 257 HB2 -0.63 0.14 0.11 -0.04 1.90 1.48 2nmpA1 ARG 257 HB3 -0.27 0.11 0.14 -0.04 1.80 1.74 2nmpA1 ARG 257 HG2 -0.16 -0.03 0.02 -0.04 1.67 1.46 2nmpA1 ARG 257 HG3 -0.22 -0.01 0.02 -0.04 1.67 1.41 2nmpA1 ARG 257 HD2 -0.14 -0.03 -0.02 -0.04 3.22 3.00 2nmpA1 ARG 257 HD3 -0.17 -0.01 -0.05 -0.04 3.22 2.95 2nmpA1 GLY 258 H -0.11 0.33 -0.12 -0.55 8.43 7.98 2nmpA1 GLY 258 HA2 -0.02 -0.04 0.46 -0.51 4.01 3.91 2nmpA1 GLY 258 HA3 0.07 0.14 0.50 -0.51 4.01 4.21 2nmpA1 LEU 259 H -0.01 0.58 0.02 -0.55 8.37 8.41 2nmpA1 LEU 259 HA 0.05 -0.02 0.46 -0.75 4.35 4.08 2nmpA1 LEU 259 HB2 -0.04 0.10 0.15 -0.04 1.64 1.81 2nmpA1 LEU 259 HB3 -0.04 0.11 -0.03 -0.04 1.64 1.64 2nmpA1 LEU 259 HG -0.04 -0.04 0.04 -0.04 1.64 1.55 2nmpA1 LEU 259 HD13 -0.01 -0.02 0.04 -0.04 0.93 0.90 2nmpA1 LEU 259 HD23 -0.06 -0.02 -0.09 -0.04 0.89 0.69 2nmpA1 LYS 260 H -0.01 0.40 -0.85 -0.55 8.42 7.41 2nmpA1 LYS 260 HA -0.01 0.07 0.16 -0.75 4.32 3.80 2nmpA1 LYS 260 HB2 -0.01 0.10 0.10 -0.04 1.87 2.01 2nmpA1 LYS 260 HB3 -0.01 -0.12 0.09 -0.04 1.79 1.72 2nmpA1 LYS 260 HG2 -0.08 0.32 0.18 -0.04 1.46 1.84 2nmpA1 LYS 260 HG3 -0.07 -0.12 0.09 -0.04 1.46 1.31 2nmpA1 LYS 260 HD2 -0.08 -0.13 0.09 -0.04 1.69 1.53 2nmpA1 LYS 260 HD3 -0.06 0.10 -0.07 -0.04 1.68 1.61 2nmpA1 LYS 260 HE2 -0.07 0.10 0.05 -0.04 2.99 3.03 2nmpA1 LYS 260 HE3 -0.08 0.10 0.02 -0.04 2.99 2.99 2nmpA1 THR 261 H 0.09 0.67 -0.18 -0.55 8.28 8.31 2nmpA1 THR 261 HA 0.12 0.10 0.91 -0.75 4.39 4.77 2nmpA1 THR 261 HB 0.04 -0.15 0.16 -0.04 4.32 4.33 2nmpA1 THR 261 HG23 0.05 0.00 -0.07 -0.04 1.22 1.16 2nmpA1 LEU 262 H 0.13 0.51 -0.26 -0.55 8.37 8.20 2nmpA1 LEU 262 HA 0.06 0.08 0.33 -0.75 4.35 4.07 2nmpA1 LEU 262 HB2 0.11 0.13 0.19 -0.04 1.64 2.02 2nmpA1 LEU 262 HB3 0.21 -0.01 0.13 -0.04 1.64 1.93 2nmpA1 LEU 262 HG 0.00 -0.08 -0.15 -0.04 1.64 1.37 2nmpA1 LEU 262 HD13 0.06 0.01 -0.04 -0.04 0.93 0.92 2nmpA1 LEU 262 HD23 0.22 -0.01 -0.00 -0.04 0.89 1.05 2nmpA1 HIS 263 H 0.39 0.21 -0.18 -0.55 8.41 8.29 2nmpA1 HIS 263 HA -1.22 0.05 0.28 -0.75 4.63 2.99 2nmpA1 HIS 263 HB2 -0.32 0.02 -0.00 -0.04 3.26 2.92 2nmpA1 HIS 263 HB3 -0.14 0.00 0.05 -0.04 3.20 3.07 2nmpA1 HIS 263 HD2 0.01 -0.03 -0.02 -0.04 6.97 6.89 2nmpA1 HIS 263 HE1 0.01 0.28 0.13 -0.04 7.75 8.12 2nmpA1 VAL 264 H -0.61 0.17 -0.20 -0.55 8.24 7.05 2nmpA1 VAL 264 HA -0.29 0.07 0.59 -0.75 4.13 3.75 2nmpA1 VAL 264 HB -0.18 -0.01 0.05 -0.04 2.12 1.94 2nmpA1 VAL 264 HG13 -0.41 -0.01 0.03 -0.04 0.97 0.54 2nmpA1 VAL 264 HG23 -0.23 0.02 0.08 -0.04 0.95 0.78 2nmpA1 ARG 265 H -0.11 0.72 -0.09 -0.55 8.46 8.43 2nmpA1 ARG 265 HA -0.09 -0.00 0.53 -0.75 4.34 4.02 2nmpA1 ARG 265 HB2 0.05 0.13 0.14 -0.04 1.90 2.18 2nmpA1 ARG 265 HB3 0.18 -0.03 -0.01 -0.04 1.80 1.90 2nmpA1 ARG 265 HG2 -0.02 -0.09 0.01 -0.04 1.67 1.52 2nmpA1 ARG 265 HG3 0.02 0.07 0.01 -0.04 1.67 1.73 2nmpA1 ARG 265 HD2 0.07 0.00 -0.04 -0.04 3.22 3.21 2nmpA1 ARG 265 HD3 -0.06 -0.06 -0.04 -0.04 3.22 3.02 2nmpA1 MET 266 H -0.14 0.87 0.09 -0.55 8.47 8.75 2nmpA1 MET 266 HA 0.19 -0.03 0.29 -0.75 4.52 4.22 2nmpA1 MET 266 HB2 -0.69 0.04 0.06 -0.04 2.15 1.52 2nmpA1 MET 266 HB3 -0.42 -0.01 -0.00 -0.04 2.03 1.56 2nmpA1 MET 266 HG2 -0.18 0.14 0.04 -0.04 2.63 2.59 2nmpA1 MET 266 HG3 -0.27 -0.06 -0.02 -0.04 2.56 2.18 2nmpA1 MET 266 HE3 -0.58 0.01 0.03 -0.04 2.10 1.52 2nmpA1 GLU 267 H -0.16 0.44 -0.31 -0.55 8.60 8.02 2nmpA1 GLU 267 HA 0.35 0.07 0.62 -0.75 4.29 4.57 2nmpA1 GLU 267 HB2 -0.05 0.18 0.18 -0.04 2.09 2.36 2nmpA1 GLU 267 HB3 -0.02 0.01 0.11 -0.04 1.99 2.05 2nmpA1 GLU 267 HG2 0.05 -0.03 0.03 -0.04 2.34 2.35 2nmpA1 GLU 267 HG3 0.14 -0.06 0.09 -0.04 2.34 2.47 2nmpA1 LYS 268 H -0.03 0.54 -0.08 -0.55 8.42 8.28 2nmpA1 LYS 268 HA -0.00 -0.04 0.53 -0.75 4.32 4.05 2nmpA1 LYS 268 HB2 -0.08 0.01 0.16 -0.04 1.87 1.92 2nmpA1 LYS 268 HB3 -0.16 0.10 0.15 -0.04 1.79 1.85 2nmpA1 LYS 268 HG2 -0.10 0.03 0.03 -0.04 1.46 1.37 2nmpA1 LYS 268 HG3 -0.08 -0.01 -0.06 -0.04 1.46 1.27 2nmpA1 LYS 268 HD2 -0.04 -0.09 0.06 -0.04 1.69 1.58 2nmpA1 LYS 268 HD3 -0.05 0.00 0.06 -0.04 1.68 1.65 2nmpA1 LYS 268 HE2 -0.05 -0.08 0.01 -0.04 2.99 2.83 2nmpA1 LYS 268 HE3 -0.06 0.02 0.02 -0.04 2.99 2.93 2nmpA1 HIS 269 H 0.01 0.71 -0.04 -0.55 8.41 8.55 2nmpA1 HIS 269 HA 0.12 0.07 0.42 -0.75 4.63 4.48 2nmpA1 HIS 269 HB2 0.13 0.13 0.12 -0.04 3.26 3.61 2nmpA1 HIS 269 HB3 0.17 -0.23 0.00 -0.04 3.20 3.10 2nmpA1 HIS 269 HD2 0.09 -0.07 -0.47 -0.04 6.97 6.48 2nmpA1 HIS 269 HE1 0.09 0.23 -0.07 -0.04 7.75 7.96 2nmpA1 PHE 270 H 0.39 0.48 -0.29 -0.55 8.34 8.37 2nmpA1 PHE 270 HA 0.11 0.10 0.30 -0.75 4.62 4.37 2nmpA1 PHE 270 HB2 0.16 0.18 0.26 -0.04 3.15 3.70 2nmpA1 PHE 270 HB3 0.13 0.07 0.25 -0.04 3.06 3.46 2nmpA1 PHE 270 HD2 0.03 0.04 0.09 -0.04 7.28 7.39 2nmpA1 PHE 270 HE2 -0.19 0.05 0.06 -0.04 7.38 7.25 2nmpA1 PHE 270 HZ -0.42 0.08 0.01 -0.04 7.32 6.95 2nmpA1 LYS 271 H 0.08 0.46 -0.01 -0.55 8.42 8.40 2nmpA1 LYS 271 HA -0.18 0.00 0.40 -0.75 4.32 3.79 2nmpA1 LYS 271 HB2 -0.02 0.10 0.20 -0.04 1.87 2.12 2nmpA1 LYS 271 HB3 -0.05 -0.09 0.00 -0.04 1.79 1.62 2nmpA1 LYS 271 HG2 -0.10 -0.04 0.06 -0.04 1.46 1.34 2nmpA1 LYS 271 HG3 -0.08 0.08 0.10 -0.04 1.46 1.52 2nmpA1 LYS 271 HD2 -0.03 -0.03 0.04 -0.04 1.69 1.63 2nmpA1 LYS 271 HD3 -0.04 -0.04 0.02 -0.04 1.68 1.58 2nmpA1 LYS 271 HE2 -0.02 -0.04 -0.01 -0.04 2.99 2.89 2nmpA1 LYS 271 HE3 0.00 0.10 -0.05 -0.04 2.99 3.00 2nmpA1 ASN 272 H 0.05 0.70 -0.09 -0.55 8.53 8.64 2nmpA1 ASN 272 HA -0.00 -0.08 0.39 -0.75 4.76 4.32 2nmpA1 ASN 272 HB2 0.05 0.23 0.16 -0.04 2.88 3.27 2nmpA1 ASN 272 HB3 0.04 -0.10 -0.03 -0.04 2.79 2.65 2nmpA1 ASN 272 HD21 -0.05 0.26 -0.05 -0.04 7.03 7.15 2nmpA1 ASN 272 HD22 -0.04 0.44 0.13 -0.04 7.74 8.23 2nmpA1 GLY 273 H 0.14 0.74 0.01 -0.55 8.43 8.78 2nmpA1 GLY 273 HA2 0.01 -0.07 0.43 -0.51 4.01 3.87 2nmpA1 GLY 273 HA3 0.10 0.24 0.35 -0.51 4.01 4.20 2nmpA1 MET 274 H 0.06 0.70 -0.24 -0.55 8.47 8.44 2nmpA1 MET 274 HA -0.13 -0.06 0.24 -0.75 4.52 3.82 2nmpA1 MET 274 HB2 0.05 0.09 0.12 -0.04 2.15 2.36 2nmpA1 MET 274 HB3 -0.09 0.08 0.17 -0.04 2.03 2.15 2nmpA1 MET 274 HG2 -0.05 0.01 -0.01 -0.04 2.63 2.54 2nmpA1 MET 274 HG3 0.01 -0.07 -0.14 -0.04 2.56 2.32 2nmpA1 MET 274 HE3 0.23 -0.00 0.04 -0.04 2.10 2.33 2nmpA1 ALA 275 H -0.04 0.62 -0.09 -0.55 8.40 8.34 2nmpA1 ALA 275 HA -0.00 -0.03 0.35 -0.75 4.34 3.90 2nmpA1 ALA 275 HB3 -0.02 0.01 0.12 -0.04 1.41 1.49 2nmpA1 VAL 276 H -0.03 0.59 -0.22 -0.55 8.24 8.03 2nmpA1 VAL 276 HA 0.05 -0.03 0.40 -0.75 4.13 3.80 2nmpA1 VAL 276 HB -0.00 0.17 0.14 -0.04 2.12 2.38 2nmpA1 VAL 276 HG13 0.05 -0.03 -0.14 -0.04 0.97 0.82 2nmpA1 VAL 276 HG23 0.10 0.00 -0.05 -0.04 0.95 0.96 2nmpA1 ALA 277 H -0.19 0.65 -0.08 -0.55 8.40 8.23 2nmpA1 ALA 277 HA -0.07 -0.00 0.39 -0.75 4.34 3.90 2nmpA1 ALA 277 HB3 -0.26 0.01 0.02 -0.04 1.41 1.13 2nmpA1 GLN 278 H -0.02 0.62 -0.05 -0.55 8.47 8.47 2nmpA1 GLN 278 HA 0.01 -0.00 0.42 -0.75 4.36 4.04 2nmpA1 GLN 278 HB2 0.02 0.18 0.16 -0.04 2.15 2.47 2nmpA1 GLN 278 HB3 0.04 -0.01 0.02 -0.04 2.02 2.02 2nmpA1 GLN 278 HG2 0.01 -0.02 -0.00 -0.04 2.40 2.35 2nmpA1 GLN 278 HG3 0.02 -0.04 0.04 -0.04 2.39 2.37 2nmpA1 GLN 278 HE21 0.03 0.01 -0.01 -0.04 6.97 6.95 2nmpA1 GLN 278 HE22 0.02 -0.02 0.00 -0.04 7.69 7.65 2nmpA1 PHE 279 H 0.15 0.63 -0.03 -0.55 8.34 8.54 2nmpA1 PHE 279 HA -0.04 -0.02 0.34 -0.75 4.62 4.15 2nmpA1 PHE 279 HB2 -0.02 -0.01 0.11 -0.04 3.15 3.18 2nmpA1 PHE 279 HB3 -0.04 0.08 0.13 -0.04 3.06 3.18 2nmpA1 PHE 279 HD2 -0.04 0.01 -0.09 -0.04 7.28 7.13 2nmpA1 PHE 279 HE2 0.01 -0.03 -0.13 -0.04 7.38 7.20 2nmpA1 PHE 279 HZ 0.05 -0.05 -0.03 -0.04 7.32 7.25 2nmpA1 LEU 280 H 0.05 0.54 -0.25 -0.55 8.37 8.17 2nmpA1 LEU 280 HA -0.28 -0.02 0.42 -0.75 4.35 3.71 2nmpA1 LEU 280 HB2 -0.13 0.10 0.11 -0.04 1.64 1.68 2nmpA1 LEU 280 HB3 -0.32 -0.07 -0.03 -0.04 1.64 1.18 2nmpA1 LEU 280 HG 0.00 0.16 0.07 -0.04 1.64 1.83 2nmpA1 LEU 280 HD13 -0.45 -0.04 -0.13 -0.04 0.93 0.27 2nmpA1 LEU 280 HD23 -0.36 -0.03 -0.07 -0.04 0.89 0.39 2nmpA1 GLU 281 H -0.06 0.65 -0.09 -0.55 8.60 8.55 2nmpA1 GLU 281 HA -0.05 0.01 0.30 -0.75 4.29 3.80 2nmpA1 GLU 281 HB2 0.01 -0.06 0.08 -0.04 2.09 2.07 2nmpA1 GLU 281 HB3 -0.02 0.06 0.13 -0.04 1.99 2.11 2nmpA1 GLU 281 HG2 -0.03 0.00 -0.04 -0.04 2.34 2.24 2nmpA1 GLU 281 HG3 -0.02 0.02 0.12 -0.04 2.34 2.42 2nmpA1 SER 282 H -0.17 0.37 -0.44 -0.55 8.46 7.67 2nmpA1 SER 282 HA -0.13 0.10 0.72 -0.75 4.49 4.43 2nmpA1 SER 282 HB2 -0.15 0.09 0.05 -0.04 3.95 3.89 2nmpA1 SER 282 HB3 -0.17 -0.08 0.02 -0.04 3.93 3.66 2nmpA1 ASN 283 H -0.28 0.45 -0.28 -0.55 8.53 7.87 2nmpA1 ASN 283 HA -0.36 0.08 0.65 -0.75 4.76 4.38 2nmpA1 ASN 283 HB2 -0.66 0.14 0.10 -0.04 2.88 2.42 2nmpA1 ASN 283 HB3 -0.25 0.04 0.19 -0.04 2.79 2.73 2nmpA1 ASN 283 HD21 0.12 -0.01 -0.03 -0.04 7.03 7.08 2nmpA1 ASN 283 HD22 -0.65 0.01 -0.06 -0.04 7.74 7.01 2nmpA1 PRO 284 HA -0.27 0.18 0.32 -0.51 4.44 4.17 2nmpA1 PRO 284 HB2 -0.65 -0.00 0.07 -0.04 2.28 1.66 2nmpA1 PRO 284 HB3 -0.38 0.03 0.11 -0.04 2.02 1.74 2nmpA1 PRO 284 HG2 -1.35 0.03 0.01 -0.04 2.03 0.68 2nmpA1 PRO 284 HG3 -0.56 0.01 0.08 -0.04 2.03 1.52 2nmpA1 PRO 284 HD2 -0.50 0.03 0.21 -0.04 3.68 3.37 2nmpA1 PRO 284 HD3 -0.36 0.24 0.29 -0.04 3.65 3.78 2nmpA1 TRP 285 H -0.27 0.06 -0.42 -0.55 7.97 6.79 2nmpA1 TRP 285 HA -0.24 0.16 0.71 -0.75 4.62 4.49 2nmpA1 TRP 285 HB2 -0.01 -0.03 -0.04 -0.04 3.23 3.11 2nmpA1 TRP 285 HB3 -0.08 -0.00 0.13 -0.04 3.23 3.23 2nmpA1 TRP 285 HD1 0.04 -0.07 -0.13 -0.04 7.22 7.03 2nmpA1 TRP 285 HE1 0.04 -0.05 -0.05 -0.04 10.20 10.10 2nmpA1 TRP 285 HE3 -0.55 -0.01 -0.03 -0.04 7.59 6.96 2nmpA1 TRP 285 HZ2 0.02 -0.07 0.03 -0.04 7.44 7.38 2nmpA1 TRP 285 HZ3 -0.15 -0.06 -0.05 -0.04 7.13 6.82 2nmpA1 TRP 285 HH2 -0.01 -0.04 -0.05 -0.04 7.19 7.05 2nmpA1 VAL 286 H -0.02 0.51 -0.29 -0.55 8.24 7.88 2nmpA1 VAL 286 HA 0.17 0.02 0.94 -0.75 4.13 4.51 2nmpA1 VAL 286 HB -0.05 0.36 0.12 -0.04 2.12 2.51 2nmpA1 VAL 286 HG13 0.12 -0.04 -0.31 -0.04 0.97 0.71 2nmpA1 VAL 286 HG23 -0.01 -0.06 -0.14 -0.04 0.95 0.70 2nmpA1 GLU 287 H 0.15 0.51 0.22 -0.55 8.60 8.93 2nmpA1 GLU 287 HA 0.02 0.07 0.37 -0.75 4.29 4.00 2nmpA1 GLU 287 HB2 0.05 -0.05 -0.09 -0.04 2.09 1.95 2nmpA1 GLU 287 HB3 0.11 0.03 0.02 -0.04 1.99 2.10 2nmpA1 GLU 287 HG2 -0.07 -0.06 -0.07 -0.04 2.34 2.10 2nmpA1 GLU 287 HG3 -0.03 0.02 -0.24 -0.04 2.34 2.05 2nmpA1 LYS 288 H 0.19 0.24 0.15 -0.55 8.42 8.44 2nmpA1 LYS 288 HA 0.06 0.19 0.71 -0.75 4.32 4.53 2nmpA1 LYS 288 HB2 -0.01 0.07 -0.33 -0.04 1.87 1.56 2nmpA1 LYS 288 HB3 0.11 -0.10 -0.07 -0.04 1.79 1.69 2nmpA1 LYS 288 HG2 0.09 0.04 -0.02 -0.04 1.46 1.53 2nmpA1 LYS 288 HG3 0.01 0.04 0.02 -0.04 1.46 1.49 2nmpA1 LYS 288 HD2 0.09 -0.07 -0.18 -0.04 1.69 1.49 2nmpA1 LYS 288 HD3 0.06 0.03 -0.14 -0.04 1.68 1.59 2nmpA1 LYS 288 HE2 -0.05 0.03 -0.03 -0.04 2.99 2.90 2nmpA1 LYS 288 HE3 -0.18 -0.04 -0.07 -0.04 2.99 2.67 2nmpA1 VAL 289 H 0.10 0.25 0.16 -0.55 8.24 8.20 2nmpA1 VAL 289 HA 0.23 0.18 1.13 -0.75 4.13 4.92 2nmpA1 VAL 289 HB 0.09 -0.02 0.05 -0.04 2.12 2.20 2nmpA1 VAL 289 HG13 0.14 0.00 -0.17 -0.04 0.97 0.90 2nmpA1 VAL 289 HG23 0.04 0.01 -0.30 -0.04 0.95 0.66 2nmpA1 ILE 290 H 0.22 0.89 0.33 -0.55 8.25 9.14 2nmpA1 ILE 290 HA 0.19 0.14 0.97 -0.75 4.18 4.72 2nmpA1 ILE 290 HB 0.19 -0.04 0.11 -0.04 1.89 2.11 2nmpA1 ILE 290 HG12 0.13 0.05 -0.21 -0.04 1.49 1.42 2nmpA1 ILE 290 HG13 0.23 -0.05 -0.30 -0.04 1.21 1.05 2nmpA1 ILE 290 HG23 0.14 0.04 -0.07 -0.04 0.93 1.00 2nmpA1 ILE 290 HD13 0.20 0.01 -0.07 -0.04 0.88 0.98 2nmpA1 TYR 291 H 0.37 0.26 0.01 -0.55 8.29 8.39 2nmpA1 TYR 291 HA 0.19 0.21 0.75 -0.75 4.56 4.95 2nmpA1 TYR 291 HB2 0.15 0.09 -0.13 -0.04 3.06 3.13 2nmpA1 TYR 291 HB3 0.14 -0.04 0.01 -0.04 2.98 3.05 2nmpA1 TYR 291 HD2 0.14 0.10 -0.01 -0.04 7.15 7.34 2nmpA1 TYR 291 HE2 0.17 0.08 -0.14 -0.04 6.85 6.92 2nmpA1 PRO 292 HA -0.60 0.03 0.35 -0.51 4.44 3.72 2nmpA1 PRO 292 HB2 -0.38 0.04 0.02 -0.04 2.28 1.92 2nmpA1 PRO 292 HB3 -0.32 0.03 0.05 -0.04 2.02 1.75 2nmpA1 PRO 292 HG2 -0.16 0.01 0.08 -0.04 2.03 1.92 2nmpA1 PRO 292 HG3 -0.27 0.06 0.06 -0.04 2.03 1.84 2nmpA1 PRO 292 HD2 -0.45 0.17 0.23 -0.04 3.68 3.58 2nmpA1 PRO 292 HD3 0.05 0.19 0.13 -0.04 3.65 3.98 2nmpA1 GLY 293 H -0.93 0.08 -0.33 -0.55 8.43 6.70 2nmpA1 GLY 293 HA2 0.35 0.13 0.37 -0.51 4.01 4.35 2nmpA1 GLY 293 HA3 0.28 -0.00 0.24 -0.51 4.01 4.03 2nmpA1 LEU 294 H 0.21 0.44 -0.32 -0.55 8.37 8.15 2nmpA1 LEU 294 HA 0.04 0.24 0.87 -0.75 4.35 4.74 2nmpA1 LEU 294 HB2 0.20 0.11 0.14 -0.04 1.64 2.05 2nmpA1 LEU 294 HB3 0.07 -0.13 -0.01 -0.04 1.64 1.53 2nmpA1 LEU 294 HG 0.35 -0.06 -0.12 -0.04 1.64 1.78 2nmpA1 LEU 294 HD13 0.12 0.01 -0.13 -0.04 0.93 0.90 2nmpA1 LEU 294 HD23 0.09 0.02 -0.10 -0.04 0.89 0.85 2nmpA1 PRO 295 HA -0.66 0.07 0.30 -0.51 4.44 3.65 2nmpA1 PRO 295 HB2 -0.08 0.03 -0.05 -0.04 2.28 2.14 2nmpA1 PRO 295 HB3 -0.11 0.02 0.09 -0.04 2.02 1.98 2nmpA1 PRO 295 HG2 -0.07 0.03 0.07 -0.04 2.03 2.03 2nmpA1 PRO 295 HG3 -0.16 0.07 0.09 -0.04 2.03 1.99 2nmpA1 PRO 295 HD2 -0.06 0.07 0.18 -0.04 3.68 3.83 2nmpA1 PRO 295 HD3 -0.11 0.24 0.28 -0.04 3.65 4.01 2nmpA1 SER 296 H -0.02 0.02 -0.53 -0.55 8.46 7.38 2nmpA1 SER 296 HA 0.01 0.14 0.48 -0.75 4.49 4.36 2nmpA1 SER 296 HB2 0.01 0.01 0.12 -0.04 3.95 4.05 2nmpA1 SER 296 HB3 0.00 -0.01 0.03 -0.04 3.93 3.91 2nmpA1 HIS 297 H 0.15 0.51 -0.19 -0.55 8.41 8.33 2nmpA1 HIS 297 HA 0.06 0.10 0.63 -0.75 4.63 4.67 2nmpA1 HIS 297 HB2 0.09 0.14 0.05 -0.04 3.26 3.50 2nmpA1 HIS 297 HB3 0.12 0.04 0.10 -0.04 3.20 3.42 2nmpA1 HIS 297 HD2 0.09 -0.16 -0.32 -0.04 6.97 6.53 2nmpA1 HIS 297 HE1 0.04 -0.15 0.09 -0.04 7.75 7.68 2nmpA1 PRO 298 HA 0.04 0.14 0.37 -0.51 4.44 4.47 2nmpA1 PRO 298 HB2 0.00 -0.02 -0.01 -0.04 2.28 2.22 2nmpA1 PRO 298 HB3 -0.02 0.06 0.15 -0.04 2.02 2.17 2nmpA1 PRO 298 HG2 -0.18 -0.05 0.11 -0.04 2.03 1.87 2nmpA1 PRO 298 HG3 -0.11 0.07 0.12 -0.04 2.03 2.07 2nmpA1 PRO 298 HD2 -0.73 0.04 0.27 -0.04 3.68 3.21 2nmpA1 PRO 298 HD3 -0.15 0.30 0.31 -0.04 3.65 4.07 2nmpA1 GLN 299 H 0.53 0.11 -0.27 -0.55 8.47 8.29 2nmpA1 GLN 299 HA 0.10 0.21 0.95 -0.75 4.36 4.86 2nmpA1 GLN 299 HB2 0.26 0.01 0.08 -0.04 2.15 2.45 2nmpA1 GLN 299 HB3 0.06 -0.09 0.17 -0.04 2.02 2.11 2nmpA1 GLN 299 HG2 0.07 0.08 0.05 -0.04 2.40 2.56 2nmpA1 GLN 299 HG3 0.07 0.06 0.03 -0.04 2.39 2.51 2nmpA1 GLN 299 HE21 0.04 -0.00 0.00 -0.04 6.97 6.97 2nmpA1 GLN 299 HE22 0.05 0.06 -0.05 -0.04 7.69 7.71 2nmpA1 HIS 300 H 0.25 0.78 -0.25 -0.55 8.41 8.66 2nmpA1 HIS 300 HA -0.06 0.10 0.33 -0.75 4.63 4.24 2nmpA1 HIS 300 HB2 0.08 0.19 0.10 -0.04 3.26 3.59 2nmpA1 HIS 300 HB3 0.02 -0.01 0.08 -0.04 3.20 3.25 2nmpA1 HIS 300 HD2 -0.04 -0.03 -0.15 -0.04 6.97 6.70 2nmpA1 HIS 300 HE1 0.10 0.06 -0.15 -0.04 7.75 7.71 2nmpA1 GLU 301 H 0.04 0.15 -0.23 -0.55 8.60 8.02 2nmpA1 GLU 301 HA -0.22 0.13 0.34 -0.75 4.29 3.78 2nmpA1 GLU 301 HB2 -0.00 0.02 0.10 -0.04 2.09 2.17 2nmpA1 GLU 301 HB3 -0.04 -0.01 0.00 -0.04 1.99 1.90 2nmpA1 GLU 301 HG2 -0.02 -0.00 0.01 -0.04 2.34 2.30 2nmpA1 GLU 301 HG3 -0.06 0.02 0.01 -0.04 2.34 2.27 2nmpA1 LEU 302 H -0.05 0.08 -0.24 -0.55 8.37 7.61 2nmpA1 LEU 302 HA -0.07 0.01 0.35 -0.75 4.35 3.89 2nmpA1 LEU 302 HB2 -0.01 -0.03 0.12 -0.04 1.64 1.67 2nmpA1 LEU 302 HB3 -0.03 0.08 -0.02 -0.04 1.64 1.63 2nmpA1 LEU 302 HG -0.01 0.00 0.02 -0.04 1.64 1.60 2nmpA1 LEU 302 HD13 0.00 -0.03 -0.16 -0.04 0.93 0.70 2nmpA1 LEU 302 HD23 -0.03 -0.02 -0.04 -0.04 0.89 0.76 2nmpA1 VAL 303 H -0.15 0.53 -0.20 -0.55 8.24 7.88 2nmpA1 VAL 303 HA -0.10 -0.08 0.37 -0.75 4.13 3.57 2nmpA1 VAL 303 HB -0.27 0.30 0.12 -0.04 2.12 2.24 2nmpA1 VAL 303 HG13 -0.03 -0.03 -0.16 -0.04 0.97 0.72 2nmpA1 VAL 303 HG23 -0.20 0.01 -0.01 -0.04 0.95 0.71 2nmpA1 LYS 304 H -0.40 0.44 -0.27 -0.55 8.42 7.64 2nmpA1 LYS 304 HA -0.54 0.10 0.51 -0.75 4.32 3.64 2nmpA1 LYS 304 HB2 -0.42 0.06 0.09 -0.04 1.87 1.56 2nmpA1 LYS 304 HB3 -0.55 0.23 -0.14 -0.04 1.79 1.29 2nmpA1 LYS 304 HG2 -1.85 -0.06 -0.12 -0.04 1.46 -0.62 2nmpA1 LYS 304 HG3 -0.99 0.15 -0.01 -0.04 1.46 0.57 2nmpA1 LYS 304 HD2 -0.54 0.05 -0.24 -0.04 1.69 0.91 2nmpA1 LYS 304 HD3 -0.70 -0.03 -0.12 -0.04 1.68 0.79 2nmpA1 LYS 304 HE2 -0.28 -0.04 -0.12 -0.04 2.99 2.51 2nmpA1 LYS 304 HE3 -0.35 -0.01 -0.06 -0.04 2.99 2.53 2nmpA1 ARG 305 H -0.15 0.30 -0.08 -0.55 8.46 7.97 2nmpA1 ARG 305 HA -0.08 0.12 0.55 -0.75 4.34 4.18 2nmpA1 ARG 305 HB2 -0.06 0.01 0.15 -0.04 1.90 1.96 2nmpA1 ARG 305 HB3 -0.04 -0.07 0.06 -0.04 1.80 1.71 2nmpA1 ARG 305 HG2 -0.06 0.04 0.02 -0.04 1.67 1.63 2nmpA1 ARG 305 HG3 -0.09 0.08 -0.01 -0.04 1.67 1.61 2nmpA1 ARG 305 HD2 -0.03 -0.01 0.00 -0.04 3.22 3.14 2nmpA1 ARG 305 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.10 2nmpA1 GLN 306 H -0.07 0.29 -0.30 -0.55 8.47 7.85 2nmpA1 GLN 306 HA 0.01 0.08 0.56 -0.75 4.36 4.26 2nmpA1 GLN 306 HB2 -0.02 -0.14 -0.01 -0.04 2.15 1.94 2nmpA1 GLN 306 HB3 -0.03 0.23 0.08 -0.04 2.02 2.26 2nmpA1 GLN 306 HG2 0.00 0.06 -0.12 -0.04 2.40 2.29 2nmpA1 GLN 306 HG3 0.01 -0.05 0.08 -0.04 2.39 2.40 2nmpA1 GLN 306 HE21 -0.01 0.47 0.14 -0.04 6.97 7.53 2nmpA1 GLN 306 HE22 -0.01 0.03 -0.05 -0.04 7.69 7.61 2nmpA1 CYS 307 H -0.00 0.40 0.11 -0.55 8.50 8.46 2nmpA1 CYS 307 HA 0.05 0.24 1.21 -0.75 4.58 5.33 2nmpA1 CYS 307 HB2 0.05 0.06 0.09 -0.04 2.97 3.13 2nmpA1 CYS 307 HB3 -0.03 0.01 0.17 -0.04 2.97 3.08 2nmpA1 THR 308 H -0.05 0.54 0.30 -0.55 8.28 8.52 2nmpA1 THR 308 HA -0.18 0.28 0.67 -0.75 4.39 4.41 2nmpA1 THR 308 HB -0.67 -0.06 0.06 -0.04 4.32 3.61 2nmpA1 THR 308 HG23 -0.83 -0.01 -0.21 -0.04 1.22 0.13 2nmpA1 GLY 309 H -0.36 0.23 -0.11 -0.55 8.43 7.65 2nmpA1 GLY 309 HA2 -1.82 0.06 0.34 -0.51 4.01 2.08 2nmpA1 GLY 309 HA3 -1.37 0.06 0.36 -0.51 4.01 2.55 2nmpA1 CYS 310 H -3.25 0.20 0.17 -0.55 8.50 5.08 2nmpA1 CYS 310 HA -0.76 0.16 0.77 -0.75 4.58 3.99 2nmpA1 CYS 310 HB2 -0.25 0.08 0.02 -0.04 2.97 2.78 2nmpA1 CYS 310 HB3 -0.49 -0.11 0.14 -0.04 2.97 2.47 2nmpA1 THR 311 H -0.16 0.04 0.12 -0.55 8.28 7.73 2nmpA1 THR 311 HA 0.06 0.28 0.70 -0.75 4.39 4.68 2nmpA1 THR 311 HB -0.27 -0.10 0.26 -0.04 4.32 4.17 2nmpA1 THR 311 HG23 -0.02 0.18 0.07 -0.04 1.22 1.41 2nmpA1 GLY 312 H 0.16 0.13 0.18 -0.55 8.43 8.36 2nmpA1 GLY 312 HA2 0.25 0.21 0.71 -0.51 4.01 4.67 2nmpA1 GLY 312 HA3 0.27 0.18 0.44 -0.51 4.01 4.39 2nmpA1 MET 313 H 0.19 0.02 -0.11 -0.55 8.47 8.02 2nmpA1 MET 313 HA 0.10 0.27 0.75 -0.75 4.52 4.89 2nmpA1 MET 313 HB2 0.11 -0.03 0.17 -0.04 2.15 2.36 2nmpA1 MET 313 HB3 0.05 0.04 0.04 -0.04 2.03 2.12 2nmpA1 MET 313 HG2 -0.08 -0.04 0.12 -0.04 2.63 2.59 2nmpA1 MET 313 HG3 -1.26 -0.04 0.04 -0.04 2.56 1.25 2nmpA1 MET 313 HE3 -0.06 0.05 -0.08 -0.04 2.10 1.97 2nmpA1 VAL 314 H 0.19 0.53 0.37 -0.55 8.24 8.78 2nmpA1 VAL 314 HA 0.34 0.20 1.00 -0.75 4.13 4.92 2nmpA1 VAL 314 HB 0.12 -0.07 0.13 -0.04 2.12 2.26 2nmpA1 VAL 314 HG13 0.07 -0.00 -0.20 -0.04 0.97 0.79 2nmpA1 VAL 314 HG23 -0.13 0.03 -0.23 -0.04 0.95 0.58 2nmpA1 THR 315 H 0.25 0.49 0.30 -0.55 8.28 8.77 2nmpA1 THR 315 HA 0.18 0.22 1.35 -0.75 4.39 5.38 2nmpA1 THR 315 HB 0.01 -0.01 0.13 -0.04 4.32 4.41 2nmpA1 THR 315 HG23 0.18 0.12 0.00 -0.04 1.22 1.48 2nmpA1 PHE 316 H -0.10 0.66 0.47 -0.55 8.34 8.82 2nmpA1 PHE 316 HA 0.04 0.13 0.83 -0.75 4.62 4.87 2nmpA1 PHE 316 HB2 0.03 0.14 0.16 -0.04 3.15 3.43 2nmpA1 PHE 316 HB3 0.02 -0.01 -0.27 -0.04 3.06 2.75 2nmpA1 PHE 316 HD2 -0.04 0.04 -0.21 -0.04 7.28 7.03 2nmpA1 PHE 316 HE2 -0.20 -0.01 -0.13 -0.04 7.38 7.00 2nmpA1 PHE 316 HZ -1.01 0.00 -0.10 -0.04 7.32 6.17 2nmpA1 TYR 317 H 0.33 0.60 0.34 -0.55 8.29 9.01 2nmpA1 TYR 317 HA -0.20 0.28 1.00 -0.75 4.56 4.89 2nmpA1 TYR 317 HB2 0.02 -0.09 0.18 -0.04 3.06 3.13 2nmpA1 TYR 317 HB3 -0.02 0.09 -0.04 -0.04 2.98 2.97 2nmpA1 TYR 317 HD2 -0.01 -0.01 -0.16 -0.04 7.15 6.94 2nmpA1 TYR 317 HE2 -0.01 -0.03 -0.05 -0.04 6.85 6.72 2nmpA1 ILE 318 H -0.15 0.44 0.25 -0.55 8.25 8.24 2nmpA1 ILE 318 HA 0.17 0.10 0.75 -0.75 4.18 4.45 2nmpA1 ILE 318 HB -0.20 -0.05 0.04 -0.04 1.89 1.64 2nmpA1 ILE 318 HG12 0.20 0.20 0.09 -0.04 1.49 1.93 2nmpA1 ILE 318 HG13 0.17 0.01 0.05 -0.04 1.21 1.40 2nmpA1 ILE 318 HG23 -0.02 0.02 -0.10 -0.04 0.93 0.79 2nmpA1 ILE 318 HD13 -0.00 -0.03 -0.15 -0.04 0.88 0.65 2nmpA1 LYS 319 H 0.15 0.62 0.32 -0.55 8.42 8.96 2nmpA1 LYS 319 HA 0.06 0.01 0.58 -0.75 4.32 4.21 2nmpA1 LYS 319 HB2 0.07 0.12 -0.14 -0.04 1.87 1.89 2nmpA1 LYS 319 HB3 0.01 -0.00 0.02 -0.04 1.79 1.77 2nmpA1 LYS 319 HG2 0.02 0.00 -0.02 -0.04 1.46 1.42 2nmpA1 LYS 319 HG3 0.02 -0.12 0.07 -0.04 1.46 1.39 2nmpA1 LYS 319 HD2 -0.00 -0.05 -0.03 -0.04 1.69 1.56 2nmpA1 LYS 319 HD3 0.02 -0.07 -0.15 -0.04 1.68 1.44 2nmpA1 LYS 319 HE2 0.00 0.01 -0.60 -0.04 2.99 2.36 2nmpA1 LYS 319 HE3 0.01 0.04 -0.04 -0.04 2.99 2.95 2nmpA1 GLY 320 H 0.02 0.10 0.16 -0.55 8.43 8.16 2nmpA1 GLY 320 HA2 -0.05 -0.01 0.32 -0.51 4.01 3.75 2nmpA1 GLY 320 HA3 -0.34 0.16 0.85 -0.51 4.01 4.16 2nmpA1 THR 321 H 0.62 0.09 0.18 -0.55 8.28 8.61 2nmpA1 THR 321 HA 0.09 0.27 0.81 -0.75 4.39 4.80 2nmpA1 THR 321 HB 0.06 -0.07 0.18 -0.04 4.32 4.45 2nmpA1 THR 321 HG23 0.10 0.04 -0.09 -0.04 1.22 1.23 2nmpA1 LEU 322 H 0.04 0.16 0.14 -0.55 8.37 8.16 2nmpA1 LEU 322 HA 0.03 0.24 0.34 -0.75 4.35 4.20 2nmpA1 LEU 322 HB2 0.01 -0.01 0.15 -0.04 1.64 1.75 2nmpA1 LEU 322 HB3 0.01 -0.04 0.15 -0.04 1.64 1.72 2nmpA1 LEU 322 HG -0.00 0.00 -0.22 -0.04 1.64 1.38 2nmpA1 LEU 322 HD13 0.01 0.00 0.08 -0.04 0.93 0.98 2nmpA1 LEU 322 HD23 0.00 0.00 0.01 -0.04 0.89 0.86 2nmpA1 GLN 323 H -0.03 0.05 -0.14 -0.55 8.47 7.81 2nmpA1 GLN 323 HA -0.07 0.08 0.47 -0.75 4.36 4.08 2nmpA1 GLN 323 HB2 -0.11 -0.01 0.10 -0.04 2.15 2.10 2nmpA1 GLN 323 HB3 -0.30 -0.03 0.07 -0.04 2.02 1.71 2nmpA1 GLN 323 HG2 -0.26 0.06 -0.18 -0.04 2.40 1.98 2nmpA1 GLN 323 HG3 -0.13 -0.00 0.04 -0.04 2.39 2.26 2nmpA1 GLN 323 HE21 -0.11 0.01 -0.01 -0.04 6.97 6.82 2nmpA1 GLN 323 HE22 -0.12 0.02 -0.01 -0.04 7.69 7.53 2nmpA1 HIS 324 H -0.11 0.07 -0.18 -0.55 8.41 7.64 2nmpA1 HIS 324 HA -0.11 0.10 0.44 -0.75 4.63 4.30 2nmpA1 HIS 324 HB2 -0.03 0.09 0.12 -0.04 3.26 3.40 2nmpA1 HIS 324 HB3 -0.18 0.11 0.08 -0.04 3.20 3.16 2nmpA1 HIS 324 HD2 -0.75 0.57 0.19 -0.04 6.97 6.94 2nmpA1 HIS 324 HE1 -0.02 -0.03 0.07 -0.04 7.75 7.72 2nmpA1 ALA 325 H 0.08 0.32 -0.12 -0.55 8.40 8.13 2nmpA1 ALA 325 HA 0.04 0.03 0.41 -0.75 4.34 4.07 2nmpA1 ALA 325 HB3 -0.00 0.02 0.07 -0.04 1.41 1.45 2nmpA1 GLU 326 H 0.02 0.47 -0.31 -0.55 8.60 8.23 2nmpA1 GLU 326 HA 0.05 -0.03 0.22 -0.75 4.29 3.78 2nmpA1 GLU 326 HB2 -0.02 0.10 0.21 -0.04 2.09 2.34 2nmpA1 GLU 326 HB3 -0.00 -0.04 0.01 -0.04 1.99 1.91 2nmpA1 GLU 326 HG2 0.02 -0.06 -0.01 -0.04 2.34 2.25 2nmpA1 GLU 326 HG3 0.01 0.13 0.03 -0.04 2.34 2.46 2nmpA1 ILE 327 H -0.00 0.62 0.03 -0.55 8.25 8.35 2nmpA1 ILE 327 HA -0.02 -0.01 0.39 -0.75 4.18 3.79 2nmpA1 ILE 327 HB -0.05 0.06 0.15 -0.04 1.89 2.01 2nmpA1 ILE 327 HG12 -0.06 -0.05 0.01 -0.04 1.49 1.35 2nmpA1 ILE 327 HG13 -0.08 0.07 0.07 -0.04 1.21 1.23 2nmpA1 ILE 327 HG23 -0.04 0.02 -0.22 -0.04 0.93 0.66 2nmpA1 ILE 327 HD13 -0.16 -0.01 -0.05 -0.04 0.88 0.62 2nmpA1 PHE 328 H 0.18 0.66 -0.09 -0.55 8.34 8.53 2nmpA1 PHE 328 HA 0.02 0.12 0.38 -0.75 4.62 4.38 2nmpA1 PHE 328 HB2 0.07 0.01 0.04 -0.04 3.15 3.23 2nmpA1 PHE 328 HB3 0.04 0.16 0.17 -0.04 3.06 3.39 2nmpA1 PHE 328 HD2 0.08 0.05 -0.22 -0.04 7.28 7.15 2nmpA1 PHE 328 HE2 0.08 -0.02 -0.09 -0.04 7.38 7.31 2nmpA1 PHE 328 HZ 0.02 -0.05 -0.09 -0.04 7.32 7.15 2nmpA1 LEU 329 H 0.19 0.57 -0.16 -0.55 8.37 8.42 2nmpA1 LEU 329 HA -0.22 -0.06 0.23 -0.75 4.35 3.55 2nmpA1 LEU 329 HB2 0.05 0.09 0.09 -0.04 1.64 1.82 2nmpA1 LEU 329 HB3 0.03 -0.08 -0.02 -0.04 1.64 1.52 2nmpA1 LEU 329 HG 0.28 0.27 0.02 -0.04 1.64 2.17 2nmpA1 LEU 329 HD13 0.07 -0.04 -0.14 -0.04 0.93 0.78 2nmpA1 LEU 329 HD23 0.20 -0.02 -0.16 -0.04 0.89 0.86 2nmpA1 LYS 330 H -0.02 0.55 -0.12 -0.55 8.42 8.27 2nmpA1 LYS 330 HA -0.03 -0.03 0.36 -0.75 4.32 3.87 2nmpA1 LYS 330 HB2 -0.01 -0.06 0.11 -0.04 1.87 1.87 2nmpA1 LYS 330 HB3 -0.02 0.10 0.15 -0.04 1.79 1.98 2nmpA1 LYS 330 HG2 -0.02 0.03 -0.14 -0.04 1.46 1.29 2nmpA1 LYS 330 HG3 -0.02 -0.04 0.09 -0.04 1.46 1.45 2nmpA1 LYS 330 HD2 -0.01 -0.05 0.00 -0.04 1.69 1.58 2nmpA1 LYS 330 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.60 2nmpA1 LYS 330 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 2nmpA1 LYS 330 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.87 2nmpA1 ASN 331 H -0.10 0.47 -0.31 -0.55 8.53 8.03 2nmpA1 ASN 331 HA -0.05 0.08 0.63 -0.75 4.76 4.67 2nmpA1 ASN 331 HB2 -0.08 0.12 0.12 -0.04 2.88 3.00 2nmpA1 ASN 331 HB3 -0.04 -0.11 0.05 -0.04 2.79 2.65 2nmpA1 ASN 331 HD21 -0.03 -0.12 -0.07 -0.04 7.03 6.77 2nmpA1 ASN 331 HD22 -0.03 0.65 0.04 -0.04 7.74 8.36 2nmpA1 LEU 332 H -0.21 0.34 -0.15 -0.55 8.37 7.80 2nmpA1 LEU 332 HA -0.10 -0.07 0.56 -0.75 4.35 3.98 2nmpA1 LEU 332 HB2 -0.10 0.16 0.04 -0.04 1.64 1.70 2nmpA1 LEU 332 HB3 0.02 -0.12 -0.05 -0.04 1.64 1.44 2nmpA1 LEU 332 HG -0.69 0.21 -0.01 -0.04 1.64 1.11 2nmpA1 LEU 332 HD13 -0.27 -0.03 -0.13 -0.04 0.93 0.46 2nmpA1 LEU 332 HD23 -0.26 -0.02 -0.08 -0.04 0.89 0.49 2nmpA1 LYS 333 H 0.02 -0.14 0.25 -0.55 8.42 7.99 2nmpA1 LYS 333 HA 0.01 0.26 0.84 -0.75 4.32 4.68 2nmpA1 LYS 333 HB2 0.01 -0.07 0.07 -0.04 1.87 1.84 2nmpA1 LYS 333 HB3 0.01 -0.07 0.07 -0.04 1.79 1.76 2nmpA1 LYS 333 HG2 -0.00 -0.07 0.00 -0.04 1.46 1.35 2nmpA1 LYS 333 HG3 -0.01 0.26 -0.43 -0.04 1.46 1.24 2nmpA1 LYS 333 HD2 -0.01 -0.00 -0.03 -0.04 1.69 1.62 2nmpA1 LYS 333 HD3 -0.01 0.07 -0.01 -0.04 1.68 1.70 2nmpA1 LYS 333 HE2 0.00 -0.06 -0.01 -0.04 2.99 2.88 2nmpA1 LYS 333 HE3 0.00 -0.04 -0.00 -0.04 2.99 2.91 2nmpA1 LEU 334 H 0.09 -0.15 0.14 -0.55 8.37 7.90 2nmpA1 LEU 334 HA 0.01 0.23 0.91 -0.75 4.35 4.75 2nmpA1 LEU 334 HB2 0.03 0.00 -0.01 -0.04 1.64 1.62 2nmpA1 LEU 334 HB3 0.05 -0.08 0.10 -0.04 1.64 1.67 2nmpA1 LEU 334 HG -0.02 -0.01 -0.06 -0.04 1.64 1.51 2nmpA1 LEU 334 HD13 -0.12 -0.03 -0.13 -0.04 0.93 0.61 2nmpA1 LEU 334 HD23 -0.04 0.02 0.04 -0.04 0.89 0.87 2nmpA1 PHE 335 H 0.36 -0.04 0.07 -0.55 8.34 8.18 2nmpA1 PHE 335 HA 0.02 0.07 0.32 -0.75 4.62 4.28 2nmpA1 PHE 335 HB2 -0.01 -0.03 -0.05 -0.04 3.15 3.02 2nmpA1 PHE 335 HB3 0.03 0.05 -0.29 -0.04 3.06 2.81 2nmpA1 PHE 335 HD2 0.04 -0.01 -0.17 -0.04 7.28 7.09 2nmpA1 PHE 335 HE2 0.05 0.06 -0.03 -0.04 7.38 7.42 2nmpA1 PHE 335 HZ 0.05 0.03 -0.04 -0.04 7.32 7.31 2nmpA1 THR 336 H 0.11 0.44 0.24 -0.55 8.28 8.53 2nmpA1 THR 336 HA 0.06 0.24 0.80 -0.75 4.39 4.74 2nmpA1 THR 336 HB 0.04 -0.05 0.05 -0.04 4.32 4.32 2nmpA1 THR 336 HG23 0.03 -0.00 -0.24 -0.04 1.22 0.96 2nmpA1 LEU 337 H 0.04 0.24 0.07 -0.55 8.37 8.18 2nmpA1 LEU 337 HA 0.06 0.30 0.81 -0.75 4.35 4.78 2nmpA1 LEU 337 HB2 0.03 0.09 0.07 -0.04 1.64 1.79 2nmpA1 LEU 337 HB3 0.03 -0.01 0.20 -0.04 1.64 1.81 2nmpA1 LEU 337 HG 0.04 -0.06 -0.13 -0.04 1.64 1.45 2nmpA1 LEU 337 HD13 0.05 0.06 -0.01 -0.04 0.93 0.99 2nmpA1 LEU 337 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.84 2nmpA1 ALA 338 H 0.06 0.51 0.38 -0.55 8.40 8.80 2nmpA1 ALA 338 HA 0.03 0.11 0.54 -0.75 4.34 4.27 2nmpA1 ALA 338 HB3 0.02 0.01 -0.13 -0.04 1.41 1.27 2nmpA1 GLU 339 H 0.03 0.20 0.03 -0.55 8.60 8.31 2nmpA1 GLU 339 HA 0.06 0.16 0.67 -0.75 4.29 4.43 2nmpA1 GLU 339 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 2nmpA1 GLU 339 HB3 0.05 0.01 0.29 -0.04 1.99 2.30 2nmpA1 GLU 339 HG2 0.07 -0.07 0.03 -0.04 2.34 2.33 2nmpA1 GLU 339 HG3 0.05 0.00 -0.04 -0.04 2.34 2.31 2nmpA1 SER 340 H 0.02 0.35 -0.15 -0.55 8.46 8.13 2nmpA1 SER 340 HA 0.03 0.04 0.15 -0.75 4.49 3.96 2nmpA1 SER 340 HB2 -0.01 0.12 -0.03 -0.04 3.95 4.00 2nmpA1 SER 340 HB3 -0.04 0.03 -0.04 -0.04 3.93 3.83 2nmpA1 LEU 341 H -0.10 0.28 0.13 -0.55 8.37 8.15 2nmpA1 LEU 341 HA -0.13 0.12 0.41 -0.75 4.35 4.01 2nmpA1 LEU 341 HB2 -0.24 -0.02 0.11 -0.04 1.64 1.44 2nmpA1 LEU 341 HB3 -0.06 0.20 -0.19 -0.04 1.64 1.54 2nmpA1 LEU 341 HG -0.14 -0.08 -0.16 -0.04 1.64 1.22 2nmpA1 LEU 341 HD13 -0.50 0.01 -0.20 -0.04 0.93 0.20 2nmpA1 LEU 341 HD23 0.10 -0.01 -0.18 -0.04 0.89 0.76 2nmpA1 GLY 342 H -0.35 0.20 0.09 -0.55 8.43 7.81 2nmpA1 GLY 342 HA2 -1.23 0.09 0.27 -0.51 4.01 2.64 2nmpA1 GLY 342 HA3 -1.27 -0.06 0.17 -0.51 4.01 2.35 2nmpA1 GLY 343 H -0.23 -0.04 -0.38 -0.55 8.43 7.24 2nmpA1 GLY 343 HA2 -0.22 0.29 0.63 -0.51 4.01 4.20 2nmpA1 GLY 343 HA3 -0.34 -0.09 0.17 -0.51 4.01 3.24 2nmpA1 PHE 344 H -0.85 0.19 0.16 -0.55 8.34 7.30 2nmpA1 PHE 344 HA 0.01 0.15 0.59 -0.75 4.62 4.62 2nmpA1 PHE 344 HB2 -0.08 -0.06 0.06 -0.04 3.15 3.02 2nmpA1 PHE 344 HB3 -0.15 0.11 0.12 -0.04 3.06 3.09 2nmpA1 PHE 344 HD2 -0.22 0.06 -0.09 -0.04 7.28 6.99 2nmpA1 PHE 344 HE2 0.06 0.02 0.01 -0.04 7.38 7.43 2nmpA1 PHE 344 HZ 0.04 0.05 -0.03 -0.04 7.32 7.34 2nmpA1 GLU 345 H -0.21 0.04 -0.18 -0.55 8.60 7.71 2nmpA1 GLU 345 HA 0.08 0.04 0.67 -0.75 4.29 4.33 2nmpA1 GLU 345 HB2 -0.01 0.11 -0.16 -0.04 2.09 1.98 2nmpA1 GLU 345 HB3 0.08 0.05 0.03 -0.04 1.99 2.11 2nmpA1 GLU 345 HG2 0.02 0.07 -0.05 -0.04 2.34 2.33 2nmpA1 GLU 345 HG3 0.17 -0.01 -0.03 -0.04 2.34 2.43 2nmpA1 SER 346 H -0.13 0.07 0.14 -0.55 8.46 7.99 2nmpA1 SER 346 HA -0.13 0.28 0.64 -0.75 4.49 4.53 2nmpA1 SER 346 HB2 -0.66 0.01 0.06 -0.04 3.95 3.32 2nmpA1 SER 346 HB3 -1.75 0.07 0.07 -0.04 3.93 2.29 2nmpA1 LEU 347 H 0.15 0.66 0.46 -0.55 8.37 9.09 2nmpA1 LEU 347 HA 0.14 0.19 1.13 -0.75 4.35 5.06 2nmpA1 LEU 347 HB2 0.06 -0.11 0.11 -0.04 1.64 1.66 2nmpA1 LEU 347 HB3 0.07 0.09 0.08 -0.04 1.64 1.84 2nmpA1 LEU 347 HG -0.02 0.20 -0.35 -0.04 1.64 1.43 2nmpA1 LEU 347 HD13 -0.03 -0.06 -0.30 -0.04 0.93 0.49 2nmpA1 LEU 347 HD23 0.01 0.04 -0.14 -0.04 0.89 0.76 2nmpA1 ALA 348 H 0.16 0.69 0.40 -0.55 8.40 9.10 2nmpA1 ALA 348 HA 0.17 0.30 0.93 -0.75 4.34 4.98 2nmpA1 ALA 348 HB3 0.14 0.00 -0.05 -0.04 1.41 1.46 2nmpA1 GLU 349 H 0.10 0.51 0.38 -0.55 8.60 9.04 2nmpA1 GLU 349 HA 0.07 0.14 0.61 -0.75 4.29 4.36 2nmpA1 GLU 349 HB2 0.07 -0.21 0.10 -0.04 2.09 2.00 2nmpA1 GLU 349 HB3 0.07 0.34 -0.11 -0.04 1.99 2.26 2nmpA1 GLU 349 HG2 0.09 0.12 -0.05 -0.04 2.34 2.46 2nmpA1 GLU 349 HG3 0.07 -0.02 -0.16 -0.04 2.34 2.19 2nmpA1 LEU 350 H 0.04 0.11 0.03 -0.55 8.37 8.01 2nmpA1 LEU 350 HA -0.03 0.40 0.90 -0.75 4.35 4.87 2nmpA1 LEU 350 HB2 0.02 0.06 -0.07 -0.04 1.64 1.61 2nmpA1 LEU 350 HB3 0.02 -0.13 0.22 -0.04 1.64 1.71 2nmpA1 LEU 350 HG -0.02 -0.09 -0.04 -0.04 1.64 1.45 2nmpA1 LEU 350 HD13 -0.05 0.12 -0.10 -0.04 0.93 0.86 2nmpA1 LEU 350 HD23 0.01 0.01 -0.02 -0.04 0.89 0.85 2nmpA1 PRO 351 HA 0.10 -0.16 0.19 -0.51 4.44 4.06 2nmpA1 PRO 351 HB2 -0.07 0.11 -0.04 -0.04 2.28 2.24 2nmpA1 PRO 351 HB3 -0.08 -0.00 -0.05 -0.04 2.02 1.85 2nmpA1 PRO 351 HG2 -0.06 0.12 -0.09 -0.04 2.03 1.96 2nmpA1 PRO 351 HG3 0.04 -0.02 -0.04 -0.04 2.03 1.97 2nmpA1 PRO 351 HD2 -0.07 0.52 0.16 -0.04 3.68 4.24 2nmpA1 PRO 351 HD3 0.00 0.16 -0.17 -0.04 3.65 3.59 2nmpA1 ALA 352 H -0.01 0.23 -0.37 -0.55 8.40 7.70 2nmpA1 ALA 352 HA 0.02 0.10 0.13 -0.75 4.34 3.84 2nmpA1 ALA 352 HB3 -0.00 0.02 -0.18 -0.04 1.41 1.21 2nmpA1 ILE 353 H 0.02 0.41 -0.24 -0.55 8.25 7.89 2nmpA1 ILE 353 HA 0.01 0.22 0.89 -0.75 4.18 4.55 2nmpA1 ILE 353 HB 0.01 0.01 0.06 -0.04 1.89 1.94 2nmpA1 ILE 353 HG12 0.01 0.02 -0.07 -0.04 1.49 1.41 2nmpA1 ILE 353 HG13 0.01 -0.11 -0.48 -0.04 1.21 0.59 2nmpA1 ILE 353 HG23 0.01 -0.00 -0.02 -0.04 0.93 0.88 2nmpA1 ILE 353 HD13 0.01 -0.00 -0.03 -0.04 0.88 0.81 2nmpA1 MET 354 H 0.04 0.21 -0.09 -0.55 8.47 8.08 2nmpA1 MET 354 HA 0.03 0.28 0.86 -0.75 4.52 4.93 2nmpA1 MET 354 HB2 0.05 -0.18 0.08 -0.04 2.15 2.06 2nmpA1 MET 354 HB3 0.05 0.04 0.07 -0.04 2.03 2.15 2nmpA1 MET 354 HG2 0.03 0.08 -0.07 -0.04 2.63 2.64 2nmpA1 MET 354 HG3 0.03 -0.01 -0.21 -0.04 2.56 2.32 2nmpA1 MET 354 HE3 0.04 0.04 -0.12 -0.04 2.10 2.02 2nmpA1 THR 355 H 0.08 0.10 0.03 -0.55 8.28 7.94 2nmpA1 THR 355 HA 0.05 0.06 0.24 -0.75 4.39 3.98 2nmpA1 THR 355 HB 0.15 0.01 0.07 -0.04 4.32 4.51 2nmpA1 THR 355 HG23 0.58 -0.02 -0.20 -0.04 1.22 1.53 2nmpA1 HIS 356 H 0.13 0.47 -0.48 -0.55 8.41 7.99 2nmpA1 HIS 356 HA -0.07 0.02 0.97 -0.75 4.63 4.79 2nmpA1 HIS 356 HB2 -0.00 0.07 -0.11 -0.04 3.26 3.18 2nmpA1 HIS 356 HB3 -0.02 0.02 0.13 -0.04 3.20 3.28 2nmpA1 HIS 356 HD2 -0.03 0.05 0.04 -0.04 6.97 7.00 2nmpA1 HIS 356 HE1 0.21 -0.07 -0.21 -0.04 7.75 7.63 2nmpA1 ALA 357 H 0.00 0.53 -0.05 -0.55 8.40 8.34 2nmpA1 ALA 357 HA 0.01 0.21 0.50 -0.75 4.34 4.31 2nmpA1 ALA 357 HB3 -0.00 0.03 0.02 -0.04 1.41 1.41 2nmpA1 SER 358 H -0.08 0.01 -0.31 -0.55 8.46 7.53 2nmpA1 SER 358 HA -0.04 0.13 0.32 -0.75 4.49 4.15 2nmpA1 SER 358 HB2 -0.09 0.01 -0.02 -0.04 3.95 3.81 2nmpA1 SER 358 HB3 -0.08 0.02 -0.04 -0.04 3.93 3.79 2nmpA1 VAL 359 H -0.03 0.20 -0.54 -0.55 8.24 7.31 2nmpA1 VAL 359 HA -0.06 0.04 0.71 -0.75 4.13 4.07 2nmpA1 VAL 359 HB 0.03 0.18 0.04 -0.04 2.12 2.34 2nmpA1 VAL 359 HG13 -0.04 0.00 -0.06 -0.04 0.97 0.84 2nmpA1 VAL 359 HG23 0.04 -0.04 -0.01 -0.04 0.95 0.90 2nmpA1 LEU 360 H -0.06 0.09 0.07 -0.55 8.37 7.92 2nmpA1 LEU 360 HA -0.03 0.14 0.33 -0.75 4.35 4.04 2nmpA1 LEU 360 HB2 -0.06 -0.08 0.10 -0.04 1.64 1.56 2nmpA1 LEU 360 HB3 -0.03 -0.09 0.07 -0.04 1.64 1.55 2nmpA1 LEU 360 HG -0.05 0.05 0.06 -0.04 1.64 1.67 2nmpA1 LEU 360 HD13 -0.04 0.01 0.02 -0.04 0.93 0.88 2nmpA1 LEU 360 HD23 -0.02 0.03 0.01 -0.04 0.89 0.87 2nmpA1 LYS 361 H -0.02 0.17 0.19 -0.55 8.42 8.21 2nmpA1 LYS 361 HA -0.01 0.18 0.45 -0.75 4.32 4.19 2nmpA1 LYS 361 HB2 -0.01 0.05 0.21 -0.04 1.87 2.09 2nmpA1 LYS 361 HB3 -0.01 -0.06 0.14 -0.04 1.79 1.82 2nmpA1 LYS 361 HG2 -0.00 0.07 0.10 -0.04 1.46 1.58 2nmpA1 LYS 361 HG3 -0.00 0.03 0.06 -0.04 1.46 1.51 2nmpA1 LYS 361 HD2 -0.00 -0.02 -0.07 -0.04 1.69 1.56 2nmpA1 LYS 361 HD3 -0.00 -0.04 -0.08 -0.04 1.68 1.51 2nmpA1 LYS 361 HE2 0.00 0.03 0.01 -0.04 2.99 2.99 2nmpA1 LYS 361 HE3 -0.00 0.01 0.00 -0.04 2.99 2.97 2nmpA1 ASN 362 H -0.02 0.10 -0.06 -0.55 8.53 8.01 2nmpA1 ASN 362 HA -0.01 0.06 0.37 -0.75 4.76 4.43 2nmpA1 ASN 362 HB2 -0.02 -0.02 0.04 -0.04 2.88 2.83 2nmpA1 ASN 362 HB3 -0.02 0.06 -0.01 -0.04 2.79 2.78 2nmpA1 ASN 362 HD21 -0.01 0.03 0.01 -0.04 7.03 7.02 2nmpA1 ASN 362 HD22 -0.01 0.03 0.01 -0.04 7.74 7.72 2nmpA1 ASP 363 H -0.04 0.04 -0.42 -0.55 8.40 7.43 2nmpA1 ASP 363 HA -0.06 0.05 0.50 -0.75 4.63 4.37 2nmpA1 ASP 363 HB2 -0.06 0.26 0.04 -0.04 2.71 2.90 2nmpA1 ASP 363 HB3 -0.09 0.01 -0.06 -0.04 2.70 2.53 2nmpA1 ARG 364 H -0.02 0.57 -0.11 -0.55 8.46 8.35 2nmpA1 ARG 364 HA -0.01 -0.05 0.30 -0.75 4.34 3.83 2nmpA1 ARG 364 HB2 0.00 0.06 0.10 -0.04 1.90 2.02 2nmpA1 ARG 364 HB3 0.00 0.03 0.08 -0.04 1.80 1.88 2nmpA1 ARG 364 HG2 0.01 -0.07 -0.02 -0.04 1.67 1.55 2nmpA1 ARG 364 HG3 -0.00 0.17 -0.04 -0.04 1.67 1.75 2nmpA1 ARG 364 HD2 0.00 -0.10 0.10 -0.04 3.22 3.18 2nmpA1 ARG 364 HD3 0.01 -0.03 0.03 -0.04 3.22 3.19 2nmpA1 ASP 365 H -0.00 0.41 -0.12 -0.55 8.40 8.15 2nmpA1 ASP 365 HA 0.01 0.02 0.32 -0.75 4.63 4.22 2nmpA1 ASP 365 HB2 -0.00 0.04 0.09 -0.04 2.71 2.80 2nmpA1 ASP 365 HB3 0.00 -0.01 0.01 -0.04 2.70 2.66 2nmpA1 VAL 366 H -0.01 0.36 -0.15 -0.55 8.24 7.90 2nmpA1 VAL 366 HA 0.00 0.03 0.41 -0.75 4.13 3.81 2nmpA1 VAL 366 HB -0.01 0.14 0.15 -0.04 2.12 2.35 2nmpA1 VAL 366 HG13 -0.00 -0.02 -0.13 -0.04 0.97 0.78 2nmpA1 VAL 366 HG23 -0.00 -0.02 0.03 -0.04 0.95 0.92 2nmpA1 LEU 367 H -0.00 0.36 -0.34 -0.55 8.37 7.85 2nmpA1 LEU 367 HA 0.02 0.02 0.39 -0.75 4.35 4.02 2nmpA1 LEU 367 HB2 -0.00 0.01 0.08 -0.04 1.64 1.69 2nmpA1 LEU 367 HB3 0.01 -0.13 0.02 -0.04 1.64 1.50 2nmpA1 LEU 367 HG -0.02 0.27 0.01 -0.04 1.64 1.86 2nmpA1 LEU 367 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.80 2nmpA1 LEU 367 HD23 0.01 -0.02 -0.22 -0.04 0.89 0.63 2nmpA1 GLY 368 H 0.03 0.47 -0.37 -0.55 8.43 8.01 2nmpA1 GLY 368 HA2 0.07 0.03 0.24 -0.51 4.01 3.85 2nmpA1 GLY 368 HA3 0.11 0.09 0.61 -0.51 4.01 4.31 2nmpA1 ILE 369 H 0.02 0.29 -0.22 -0.55 8.25 7.79 2nmpA1 ILE 369 HA -0.03 0.07 0.62 -0.75 4.18 4.09 2nmpA1 ILE 369 HB -0.01 -0.02 0.13 -0.04 1.89 1.95 2nmpA1 ILE 369 HG12 -0.11 -0.02 -0.11 -0.04 1.49 1.20 2nmpA1 ILE 369 HG13 -0.04 0.04 -0.14 -0.04 1.21 1.03 2nmpA1 ILE 369 HG23 -0.04 -0.00 -0.18 -0.04 0.93 0.66 2nmpA1 ILE 369 HD13 -0.11 -0.01 -0.05 -0.04 0.88 0.66 2nmpA1 SER 370 H 0.09 0.32 -0.01 -0.55 8.46 8.31 2nmpA1 SER 370 HA 0.03 0.24 0.72 -0.75 4.49 4.73 2nmpA1 SER 370 HB2 0.07 -0.05 0.13 -0.04 3.95 4.05 2nmpA1 SER 370 HB3 0.10 0.12 -0.08 -0.04 3.93 4.03 2nmpA1 ASP 371 H 0.03 0.19 0.12 -0.55 8.40 8.19 2nmpA1 ASP 371 HA 0.00 0.08 0.42 -0.75 4.63 4.38 2nmpA1 ASP 371 HB2 0.03 0.03 0.02 -0.04 2.71 2.75 2nmpA1 ASP 371 HB3 0.02 -0.06 0.10 -0.04 2.70 2.72 2nmpA1 THR 372 H 0.04 -0.07 -0.85 -0.55 8.28 6.85 2nmpA1 THR 372 HA -0.02 0.20 0.47 -0.75 4.39 4.28 2nmpA1 THR 372 HB 0.08 -0.14 -0.12 -0.04 4.32 4.10 2nmpA1 THR 372 HG23 0.26 -0.02 -0.06 -0.04 1.22 1.36 2nmpA1 LEU 373 H -0.12 0.26 -0.10 -0.55 8.37 7.87 2nmpA1 LEU 373 HA -0.64 0.29 0.81 -0.75 4.35 4.05 2nmpA1 LEU 373 HB2 -0.48 -0.03 0.12 -0.04 1.64 1.21 2nmpA1 LEU 373 HB3 -0.22 -0.07 0.14 -0.04 1.64 1.45 2nmpA1 LEU 373 HG -0.55 0.13 -0.08 -0.04 1.64 1.10 2nmpA1 LEU 373 HD13 -0.31 -0.01 -0.10 -0.04 0.93 0.47 2nmpA1 LEU 373 HD23 -0.16 -0.03 -0.30 -0.04 0.89 0.36 2nmpA1 ILE 374 H -0.62 0.81 0.49 -0.55 8.25 8.38 2nmpA1 ILE 374 HA -0.18 0.18 1.07 -0.75 4.18 4.50 2nmpA1 ILE 374 HB -1.33 0.01 0.14 -0.04 1.89 0.67 2nmpA1 ILE 374 HG12 -0.10 0.00 -0.08 -0.04 1.49 1.27 2nmpA1 ILE 374 HG13 -0.31 -0.05 -0.50 -0.04 1.21 0.31 2nmpA1 ILE 374 HG23 0.06 0.00 -0.13 -0.04 0.93 0.82 2nmpA1 ILE 374 HD13 -0.56 -0.01 -0.04 -0.04 0.88 0.22 2nmpA1 ARG 375 H -0.01 0.49 0.33 -0.55 8.46 8.71 2nmpA1 ARG 375 HA 0.08 0.19 1.08 -0.75 4.34 4.93 2nmpA1 ARG 375 HB2 0.05 0.01 0.01 -0.04 1.90 1.92 2nmpA1 ARG 375 HB3 0.06 -0.09 0.10 -0.04 1.80 1.84 2nmpA1 ARG 375 HG2 0.11 0.00 -0.28 -0.04 1.67 1.46 2nmpA1 ARG 375 HG3 0.13 0.15 -0.14 -0.04 1.67 1.77 2nmpA1 ARG 375 HD2 0.23 0.01 -0.08 -0.04 3.22 3.33 2nmpA1 ARG 375 HD3 0.17 -0.04 -0.04 -0.04 3.22 3.27 2nmpA1 LEU 376 H 0.19 0.88 0.42 -0.55 8.37 9.31 2nmpA1 LEU 376 HA 0.20 0.28 1.23 -0.75 4.35 5.31 2nmpA1 LEU 376 HB2 0.21 -0.02 0.20 -0.04 1.64 1.99 2nmpA1 LEU 376 HB3 0.35 -0.03 0.07 -0.04 1.64 1.99 2nmpA1 LEU 376 HG 0.31 0.03 -0.02 -0.04 1.64 1.92 2nmpA1 LEU 376 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 2nmpA1 LEU 376 HD23 0.00 -0.01 -0.07 -0.04 0.89 0.77 2nmpA1 SER 377 H 0.22 0.72 0.34 -0.55 8.46 9.18 2nmpA1 SER 377 HA 0.07 0.08 0.71 -0.75 4.49 4.60 2nmpA1 SER 377 HB2 -0.02 0.03 0.13 -0.04 3.95 4.05 2nmpA1 SER 377 HB3 0.04 0.03 0.27 -0.04 3.93 4.24 2nmpA1 VAL 378 H 0.18 0.58 0.08 -0.55 8.24 8.52 2nmpA1 VAL 378 HA 0.11 -0.02 0.69 -0.75 4.13 4.16 2nmpA1 VAL 378 HB 0.18 -0.00 0.23 -0.04 2.12 2.49 2nmpA1 VAL 378 HG13 0.07 0.04 -0.19 -0.04 0.97 0.85 2nmpA1 VAL 378 HG23 0.25 0.02 -0.02 -0.04 0.95 1.17 2nmpA1 GLY 379 H -0.08 -0.05 0.07 -0.55 8.43 7.83 2nmpA1 GLY 379 HA2 0.25 0.28 0.54 -0.51 4.01 4.56 2nmpA1 GLY 379 HA3 0.03 0.05 0.05 -0.51 4.01 3.63 2nmpA1 LEU 380 H -0.01 0.46 0.25 -0.55 8.37 8.52 2nmpA1 LEU 380 HA -0.12 0.20 0.41 -0.75 4.35 4.08 2nmpA1 LEU 380 HB2 -0.05 -0.00 0.09 -0.04 1.64 1.64 2nmpA1 LEU 380 HB3 -0.11 -0.02 0.14 -0.04 1.64 1.61 2nmpA1 LEU 380 HG -0.19 0.01 -0.03 -0.04 1.64 1.39 2nmpA1 LEU 380 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.83 2nmpA1 LEU 380 HD23 -0.50 0.04 -0.13 -0.04 0.89 0.26 2nmpA1 GLU 381 H -0.07 -0.03 -0.11 -0.55 8.60 7.85 2nmpA1 GLU 381 HA -0.06 0.10 0.56 -0.75 4.29 4.14 2nmpA1 GLU 381 HB2 -0.10 -0.00 -0.01 -0.04 2.09 1.93 2nmpA1 GLU 381 HB3 -0.07 -0.04 0.13 -0.04 1.99 1.98 2nmpA1 GLU 381 HG2 -0.07 0.06 0.04 -0.04 2.34 2.33 2nmpA1 GLU 381 HG3 -0.05 0.05 0.03 -0.04 2.34 2.33 2nmpA1 ASP 382 H -0.05 0.09 0.16 -0.55 8.40 8.05 2nmpA1 ASP 382 HA -0.04 0.14 0.51 -0.75 4.63 4.48 2nmpA1 ASP 382 HB2 -0.04 -0.06 0.14 -0.04 2.71 2.71 2nmpA1 ASP 382 HB3 -0.03 -0.05 0.10 -0.04 2.70 2.67 2nmpA1 GLU 383 H -0.04 0.21 0.19 -0.55 8.60 8.42 2nmpA1 GLU 383 HA -0.04 0.13 0.37 -0.75 4.29 4.01 2nmpA1 GLU 383 HB2 -0.03 0.11 0.12 -0.04 2.09 2.24 2nmpA1 GLU 383 HB3 -0.03 -0.03 0.14 -0.04 1.99 2.02 2nmpA1 GLU 383 HG2 -0.04 -0.05 -0.22 -0.04 2.34 1.98 2nmpA1 GLU 383 HG3 -0.03 0.06 0.02 -0.04 2.34 2.36 2nmpA1 GLU 384 H -0.04 0.10 -0.14 -0.55 8.60 7.98 2nmpA1 GLU 384 HA -0.05 0.12 0.31 -0.75 4.29 3.91 2nmpA1 GLU 384 HB2 -0.03 -0.02 0.10 -0.04 2.09 2.10 2nmpA1 GLU 384 HB3 -0.03 0.04 -0.05 -0.04 1.99 1.91 2nmpA1 GLU 384 HG2 -0.03 0.02 0.04 -0.04 2.34 2.33 2nmpA1 GLU 384 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 2nmpA1 ASP 385 H -0.04 0.17 -0.38 -0.55 8.40 7.60 2nmpA1 ASP 385 HA -0.02 0.12 0.43 -0.75 4.63 4.40 2nmpA1 ASP 385 HB2 -0.04 0.11 0.06 -0.04 2.71 2.81 2nmpA1 ASP 385 HB3 -0.02 0.03 -0.03 -0.04 2.70 2.64 2nmpA1 LEU 386 H -0.04 0.41 -0.10 -0.55 8.37 8.10 2nmpA1 LEU 386 HA 0.08 -0.01 0.51 -0.75 4.35 4.18 2nmpA1 LEU 386 HB2 -0.00 0.15 0.06 -0.04 1.64 1.81 2nmpA1 LEU 386 HB3 0.14 -0.00 -0.02 -0.04 1.64 1.71 2nmpA1 LEU 386 HG -0.07 0.21 -0.16 -0.04 1.64 1.58 2nmpA1 LEU 386 HD13 -0.06 0.00 -0.12 -0.04 0.93 0.71 2nmpA1 LEU 386 HD23 -0.33 -0.05 -0.05 -0.04 0.89 0.42 2nmpA1 LEU 387 H -0.09 0.41 -0.31 -0.55 8.37 7.83 2nmpA1 LEU 387 HA -0.39 0.09 0.39 -0.75 4.35 3.68 2nmpA1 LEU 387 HB2 -0.23 0.04 0.08 -0.04 1.64 1.49 2nmpA1 LEU 387 HB3 -0.70 0.00 -0.02 -0.04 1.64 0.88 2nmpA1 LEU 387 HG -0.12 0.22 0.00 -0.04 1.64 1.69 2nmpA1 LEU 387 HD13 -0.10 -0.01 -0.06 -0.04 0.93 0.72 2nmpA1 LEU 387 HD23 -0.19 -0.02 -0.17 -0.04 0.89 0.47 2nmpA1 GLU 388 H -0.10 0.38 -0.16 -0.55 8.60 8.17 2nmpA1 GLU 388 HA -0.06 0.04 0.47 -0.75 4.29 3.98 2nmpA1 GLU 388 HB2 -0.04 0.29 0.27 -0.04 2.09 2.57 2nmpA1 GLU 388 HB3 -0.01 0.03 0.10 -0.04 1.99 2.07 2nmpA1 GLU 388 HG2 -0.01 -0.01 0.07 -0.04 2.34 2.35 2nmpA1 GLU 388 HG3 -0.01 -0.01 0.03 -0.04 2.34 2.31 2nmpA1 ASP 389 H 0.01 0.48 -0.28 -0.55 8.40 8.06 2nmpA1 ASP 389 HA 0.03 0.06 0.34 -0.75 4.63 4.31 2nmpA1 ASP 389 HB2 0.07 0.11 0.16 -0.04 2.71 3.00 2nmpA1 ASP 389 HB3 0.20 0.10 0.16 -0.04 2.70 3.11 2nmpA1 LEU 390 H 0.01 0.38 -0.29 -0.55 8.37 7.92 2nmpA1 LEU 390 HA 0.10 0.04 0.50 -0.75 4.35 4.24 2nmpA1 LEU 390 HB2 -0.04 0.11 0.14 -0.04 1.64 1.80 2nmpA1 LEU 390 HB3 0.22 -0.01 -0.01 -0.04 1.64 1.80 2nmpA1 LEU 390 HG -0.01 0.03 0.05 -0.04 1.64 1.67 2nmpA1 LEU 390 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 2nmpA1 LEU 390 HD23 -0.24 -0.01 -0.05 -0.04 0.89 0.55 2nmpA1 ASP 391 H 0.01 0.52 -0.17 -0.55 8.40 8.22 2nmpA1 ASP 391 HA 0.46 0.03 0.32 -0.75 4.63 4.69 2nmpA1 ASP 391 HB2 0.09 0.12 0.14 -0.04 2.71 3.02 2nmpA1 ASP 391 HB3 0.11 0.06 0.18 -0.04 2.70 3.00 2nmpA1 GLN 392 H 0.09 0.54 -0.11 -0.55 8.47 8.45 2nmpA1 GLN 392 HA 0.09 0.00 0.39 -0.75 4.36 4.09 2nmpA1 GLN 392 HB2 0.05 -0.05 0.08 -0.04 2.15 2.19 2nmpA1 GLN 392 HB3 0.04 0.13 0.13 -0.04 2.02 2.28 2nmpA1 GLN 392 HG2 0.03 -0.05 -0.02 -0.04 2.40 2.32 2nmpA1 GLN 392 HG3 0.02 -0.05 -0.02 -0.04 2.39 2.30 2nmpA1 GLN 392 HE21 -0.02 0.38 -0.06 -0.04 6.97 7.22 2nmpA1 GLN 392 HE22 0.00 -0.10 -0.10 -0.04 7.69 7.44 2nmpA1 ALA 393 H 0.07 0.34 -0.34 -0.55 8.40 7.94 2nmpA1 ALA 393 HA -0.02 0.08 0.43 -0.75 4.34 4.08 2nmpA1 ALA 393 HB3 -0.25 0.05 0.04 -0.04 1.41 1.21 2nmpA1 LEU 394 H 0.29 0.55 -0.16 -0.55 8.37 8.51 2nmpA1 LEU 394 HA 0.32 0.03 0.42 -0.75 4.35 4.37 2nmpA1 LEU 394 HB2 0.38 0.14 0.12 -0.04 1.64 2.24 2nmpA1 LEU 394 HB3 0.46 -0.05 -0.04 -0.04 1.64 1.97 2nmpA1 LEU 394 HG 0.45 0.02 0.00 -0.04 1.64 2.07 2nmpA1 LEU 394 HD13 0.19 -0.02 -0.11 -0.04 0.93 0.95 2nmpA1 LEU 394 HD23 0.20 -0.02 -0.08 -0.04 0.89 0.96 2nmpA1 LYS 395 H 0.17 0.43 -0.19 -0.55 8.42 8.28 2nmpA1 LYS 395 HA 0.07 0.11 0.33 -0.75 4.32 4.08 2nmpA1 LYS 395 HB2 0.11 0.06 0.13 -0.04 1.87 2.14 2nmpA1 LYS 395 HB3 0.09 -0.06 -0.07 -0.04 1.79 1.71 2nmpA1 LYS 395 HG2 0.25 -0.04 0.02 -0.04 1.46 1.65 2nmpA1 LYS 395 HG3 0.29 0.07 0.03 -0.04 1.46 1.81 2nmpA1 LYS 395 HD2 0.15 -0.03 -0.21 -0.04 1.69 1.57 2nmpA1 LYS 395 HD3 0.11 -0.02 -0.04 -0.04 1.68 1.69 2nmpA1 LYS 395 HE2 0.11 -0.05 -0.04 -0.04 2.99 2.97 2nmpA1 LYS 395 HE3 0.13 -0.02 -0.02 -0.04 2.99 3.04 2nmpA1 ALA 396 H 0.04 0.34 -0.48 -0.55 8.40 7.75 2nmpA1 ALA 396 HA -0.02 -0.01 0.21 -0.75 4.34 3.76 2nmpA1 ALA 396 HB3 -0.00 0.03 0.05 -0.04 1.41 1.45 2nmpA1 ALA 397 H -0.03 0.30 -0.54 -0.55 8.40 7.58 2nmpA1 ALA 397 HA -0.10 0.02 0.48 -0.75 4.34 3.99 2nmpA1 ALA 397 HB3 0.01 -0.01 0.08 -0.04 1.41 1.46 2nmpA1 HIS 398 H -0.22 0.33 -0.69 -0.55 8.41 7.28 2nmpA1 HIS 398 HA -0.38 0.04 0.72 -0.75 4.63 4.26 2nmpA1 HIS 398 HB2 -1.28 0.23 0.02 -0.04 3.26 2.18 2nmpA1 HIS 398 HB3 -2.68 -0.05 0.12 -0.04 3.20 0.55 2nmpA1 HIS 398 HD2 -0.16 -0.03 -0.04 -0.04 6.97 6.70 2nmpA1 HIS 398 HE1 -0.45 -0.14 -0.07 -0.04 7.75 7.04 2nmpA1 PRO 399 HA -0.02 0.23 0.47 -0.51 4.44 4.61 2nmpA1 PRO 399 HB2 0.00 -0.05 0.07 -0.04 2.28 2.26 2nmpA1 PRO 399 HB3 -0.00 0.03 0.03 -0.04 2.02 2.04 2nmpA1 PRO 399 HG2 -0.03 -0.03 0.01 -0.04 2.03 1.93 2nmpA1 PRO 399 HG3 -0.06 0.15 -0.04 -0.04 2.03 2.05 2nmpA1 PRO 399 HD2 -0.06 0.03 0.05 -0.04 3.68 3.65 2nmpA1 PRO 399 HD3 -0.13 0.17 -0.17 -0.04 3.65 3.49