============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 15 1.040 23.643 -12.029 -10.959 -99.200 -91.000 TRP6 15 1.020 22.919 -14.318 -10.941 -99.200 -91.000 HIS 20 0.900 27.867 -10.987 -1.030 -99.200 -91.000 HIS 27 0.900 29.684 2.418 2.798 -99.200 -91.000 TYR 42 0.840 34.007 -10.250 4.789 -99.200 -91.000 HIS 54 0.900 34.327 -4.416 -5.146 -99.200 -91.000 PHE 62 1.000 31.705 6.722 1.100 -99.200 -91.000 PHE 65 1.000 20.700 2.072 5.687 -99.200 -91.000 TYR 72 0.840 14.938 -7.635 12.357 -99.200 -91.000 TYR 80 0.840 13.863 1.716 -14.076 -99.200 -91.000 PHE 84 1.000 21.950 8.849 -28.864 -99.200 -91.000 PHE 96 1.000 19.285 0.734 1.255 -99.200 -91.000 PHE 99 1.000 9.262 -3.173 13.026 -99.200 -91.000 TYR 107 0.840 21.685 6.246 1.025 -99.200 -91.000 PHE 115 1.000 12.580 -1.689 -8.774 -99.200 -91.000 PHE 128 1.000 23.485 -8.272 -1.994 -99.200 -91.000 HIS 129 0.900 16.033 -8.948 -6.554 -99.200 -91.000 TYR 137 0.840 26.218 -2.230 -14.704 -99.200 -91.000 TYR 142 0.840 14.963 -12.547 -5.337 -99.200 -91.000 PHE 143 1.000 9.930 -8.106 -0.242 -99.200 -91.000 TRP 167 1.040 -26.587 -4.257 6.309 -99.200 -91.000 TRP6 167 1.020 -25.231 -3.075 4.719 -99.200 -91.000 TYR 172 0.840 -24.906 -6.312 -4.865 -99.200 -91.000 TYR 179 0.840 -28.185 7.593 -5.808 -99.200 -91.000 PHE 192 1.000 -23.235 2.107 -1.885 -99.200 -91.000 TYR 194 0.840 -26.265 -4.636 -8.176 -99.200 -91.000 HIS 206 0.900 -31.638 -4.237 3.915 -99.200 -91.000 PHE 214 1.000 -31.717 8.392 -0.059 -99.200 -91.000 PHE 217 1.000 -17.859 10.943 -6.331 -99.200 -91.000 TYR 221 0.840 -15.953 -1.035 -11.895 -99.200 -91.000 TYR 225 0.840 -7.052 2.545 -6.764 -99.200 -91.000 TYR 233 0.840 -16.234 4.194 16.204 -99.200 -91.000 PHE 237 1.000 -28.886 10.528 24.106 -99.200 -91.000 PHE 249 1.000 -17.391 5.380 0.856 -99.200 -91.000 PHE 259 1.000 -20.703 11.744 0.535 -99.200 -91.000 PHE 267 1.000 -15.246 3.478 10.584 -99.200 -91.000 HIS 274 0.900 -6.327 -8.379 -1.428 -99.200 -91.000 PHE 279 1.000 -20.324 -1.157 0.981 -99.200 -91.000 HIS 280 0.900 -17.898 -7.294 7.018 -99.200 -91.000 HIS 288 0.900 -27.422 -0.237 15.971 -99.200 -91.000 PHE 290 1.000 -20.656 0.690 5.110 -99.200 -91.000 HIS 293 0.900 -16.983 -9.402 2.623 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jz4A1 ALA 1 HA 0.00 -0.02 0.18 -0.75 4.34 3.74 2jz4A1 ALA 1 HB3 0.02 -0.00 0.10 -0.04 1.41 1.48 2jz4A1 GLN 2 H 0.06 0.07 0.02 -0.55 8.47 8.08 2jz4A1 GLN 2 HA 0.12 0.03 0.40 -0.75 4.36 4.15 2jz4A1 GLN 2 HB2 0.20 -0.00 0.07 -0.04 2.15 2.38 2jz4A1 GLN 2 HB3 0.36 -0.02 0.00 -0.04 2.02 2.33 2jz4A1 GLN 2 HG2 0.07 0.01 0.03 -0.04 2.40 2.47 2jz4A1 GLN 2 HG3 0.07 -0.05 0.05 -0.04 2.39 2.42 2jz4A1 GLN 2 HE21 0.03 -0.02 0.05 -0.04 6.97 6.98 2jz4A1 GLN 2 HE22 0.03 0.00 0.04 -0.04 7.69 7.72 2jz4A1 LYS 3 H 0.08 0.27 0.16 -0.55 8.42 8.37 2jz4A1 LYS 3 HA 0.04 -0.02 0.65 -0.75 4.32 4.23 2jz4A1 LYS 3 HB2 -0.12 0.10 -0.32 -0.04 1.87 1.49 2jz4A1 LYS 3 HB3 -0.09 0.02 0.07 -0.04 1.79 1.75 2jz4A1 LYS 3 HG2 -0.34 -0.03 -0.07 -0.04 1.46 0.97 2jz4A1 LYS 3 HG3 -0.27 0.07 -0.11 -0.04 1.46 1.11 2jz4A1 LYS 3 HD2 -1.93 -0.07 -0.03 -0.04 1.69 -0.38 2jz4A1 LYS 3 HD3 -0.57 -0.03 0.09 -0.04 1.68 1.13 2jz4A1 LYS 3 HE2 -0.23 0.11 -0.11 -0.04 2.99 2.72 2jz4A1 LYS 3 HE3 -0.37 -0.02 -0.06 -0.04 2.99 2.50 2jz4A1 VAL 4 H 0.13 0.12 0.05 -0.55 8.24 7.99 2jz4A1 VAL 4 HA 0.07 0.10 0.66 -0.75 4.13 4.19 2jz4A1 VAL 4 HB 0.15 0.02 0.07 -0.04 2.12 2.32 2jz4A1 VAL 4 HG13 0.06 0.02 -0.02 -0.04 0.97 0.98 2jz4A1 VAL 4 HG23 0.26 -0.01 0.01 -0.04 0.95 1.17 2jz4A1 GLU 5 H -0.05 0.12 0.16 -0.55 8.60 8.27 2jz4A1 GLU 5 HA -0.01 0.14 0.71 -0.75 4.29 4.37 2jz4A1 GLU 5 HB2 -0.09 0.00 0.10 -0.04 2.09 2.06 2jz4A1 GLU 5 HB3 -0.11 0.01 -0.13 -0.04 1.99 1.72 2jz4A1 GLU 5 HG2 -0.05 0.08 -0.07 -0.04 2.34 2.26 2jz4A1 GLU 5 HG3 -0.06 0.02 -0.02 -0.04 2.34 2.24 2jz4A1 ALA 6 H 0.00 0.15 0.00 -0.55 8.40 8.01 2jz4A1 ALA 6 HA 0.06 0.20 0.37 -0.75 4.34 4.22 2jz4A1 ALA 6 HB3 0.17 -0.02 -0.02 -0.04 1.41 1.50 2jz4A1 GLY 7 H -0.46 0.40 0.05 -0.55 8.43 7.87 2jz4A1 GLY 7 HA2 -0.24 0.02 0.40 -0.51 4.01 3.68 2jz4A1 GLY 7 HA3 -0.42 0.01 0.25 -0.51 4.01 3.35 2jz4A1 GLY 8 H -0.18 0.26 0.23 -0.55 8.43 8.19 2jz4A1 GLY 8 HA2 -0.20 -0.04 0.19 -0.51 4.01 3.45 2jz4A1 GLY 8 HA3 -0.03 0.22 0.51 -0.51 4.01 4.20 2jz4A1 GLY 9 H 0.08 0.39 -0.04 -0.55 8.43 8.31 2jz4A1 GLY 9 HA2 -0.00 0.04 0.44 -0.51 4.01 3.97 2jz4A1 GLY 9 HA3 0.08 0.13 0.32 -0.51 4.01 4.04 2jz4A1 ALA 10 H -0.10 0.17 0.06 -0.55 8.40 7.97 2jz4A1 ALA 10 HA -0.13 0.06 0.73 -0.75 4.34 4.24 2jz4A1 ALA 10 HB3 -0.12 0.04 0.06 -0.04 1.41 1.35 2jz4A1 GLY 11 H -0.82 0.15 -0.09 -0.55 8.43 7.13 2jz4A1 GLY 11 HA2 -0.36 0.21 0.70 -0.51 4.01 4.05 2jz4A1 GLY 11 HA3 -1.03 0.01 0.26 -0.51 4.01 2.75 2jz4A1 GLY 12 H -0.18 0.14 -0.01 -0.55 8.43 7.83 2jz4A1 GLY 12 HA2 0.08 0.15 0.44 -0.51 4.01 4.18 2jz4A1 GLY 12 HA3 0.25 0.02 -0.01 -0.51 4.01 3.76 2jz4A1 ALA 13 H 0.15 0.56 0.19 -0.55 8.40 8.75 2jz4A1 ALA 13 HA 0.43 -0.01 0.76 -0.75 4.34 4.77 2jz4A1 ALA 13 HB3 0.12 0.03 0.05 -0.04 1.41 1.57 2jz4A1 SER 14 H 0.31 -0.21 0.18 -0.55 8.46 8.19 2jz4A1 SER 14 HA -0.00 0.09 0.26 -0.75 4.49 4.08 2jz4A1 SER 14 HB2 0.11 -0.16 -0.12 -0.04 3.95 3.73 2jz4A1 SER 14 HB3 0.05 0.03 0.09 -0.04 3.93 4.06 2jz4A1 TRP 15 H 0.20 -0.27 -0.00 -0.55 7.97 7.35 2jz4A1 TRP 15 HA 0.16 0.15 0.22 -0.75 4.62 4.40 2jz4A1 TRP 15 HB2 0.11 -0.03 0.14 -0.04 3.23 3.41 2jz4A1 TRP 15 HB3 0.09 -0.11 -0.11 -0.04 3.23 3.06 2jz4A1 TRP 15 HD1 0.06 -0.24 0.11 -0.04 7.22 7.11 2jz4A1 TRP 15 HE1 0.03 0.07 0.08 -0.04 10.20 10.34 2jz4A1 TRP 15 HE3 0.08 -0.04 -0.04 -0.04 7.59 7.54 2jz4A1 TRP 15 HZ2 0.02 0.01 -0.01 -0.04 7.44 7.42 2jz4A1 TRP 15 HZ3 0.04 0.04 0.01 -0.04 7.13 7.18 2jz4A1 TRP 15 HH2 0.02 0.00 -0.01 -0.04 7.19 7.16 2jz4A1 ASP 16 H 0.51 -0.10 0.19 -0.55 8.40 8.45 2jz4A1 ASP 16 HA 0.05 0.22 0.46 -0.75 4.63 4.61 2jz4A1 ASP 16 HB2 0.27 -0.08 0.16 -0.04 2.71 3.02 2jz4A1 ASP 16 HB3 0.43 -0.03 0.13 -0.04 2.70 3.18 2jz4A1 ASP 17 H -0.12 0.25 0.28 -0.55 8.40 8.26 2jz4A1 ASP 17 HA -0.18 0.15 0.70 -0.75 4.63 4.54 2jz4A1 ASP 17 HB2 -0.30 0.22 -0.09 -0.04 2.71 2.50 2jz4A1 ASP 17 HB3 -0.13 -0.19 0.04 -0.04 2.70 2.38 2jz4A1 GLY 18 H -0.09 0.12 0.15 -0.55 8.43 8.06 2jz4A1 GLY 18 HA2 -0.05 0.26 0.75 -0.51 4.01 4.47 2jz4A1 GLY 18 HA3 -0.04 0.05 0.29 -0.51 4.01 3.79 2jz4A1 VAL 19 H -0.06 -0.01 0.01 -0.55 8.24 7.63 2jz4A1 VAL 19 HA -0.07 0.12 0.38 -0.75 4.13 3.81 2jz4A1 VAL 19 HB -0.08 -0.03 0.08 -0.04 2.12 2.05 2jz4A1 VAL 19 HG13 -0.09 -0.00 -0.06 -0.04 0.97 0.77 2jz4A1 VAL 19 HG23 -0.11 0.01 -0.00 -0.04 0.95 0.80 2jz4A1 HIS 20 H 0.07 0.02 -0.34 -0.55 8.41 7.62 2jz4A1 HIS 20 HA -0.09 -0.01 0.47 -0.75 4.63 4.26 2jz4A1 HIS 20 HB2 -0.17 0.02 0.03 -0.04 3.26 3.11 2jz4A1 HIS 20 HB3 -0.10 0.06 -0.05 -0.04 3.20 3.07 2jz4A1 HIS 20 HD2 0.10 0.17 0.04 -0.04 6.97 7.23 2jz4A1 HIS 20 HE1 0.16 0.02 -0.02 -0.04 7.75 7.86 2jz4A1 ASP 21 H -0.10 0.09 0.25 -0.55 8.40 8.09 2jz4A1 ASP 21 HA -0.02 0.15 0.55 -0.75 4.63 4.55 2jz4A1 ASP 21 HB2 -0.03 -0.00 0.14 -0.04 2.71 2.78 2jz4A1 ASP 21 HB3 -0.09 0.02 0.16 -0.04 2.70 2.74 2jz4A1 GLY 22 H 0.07 0.15 0.01 -0.55 8.43 8.11 2jz4A1 GLY 22 HA2 0.04 0.15 0.38 -0.51 4.01 4.07 2jz4A1 GLY 22 HA3 0.07 0.08 0.34 -0.51 4.01 3.98 2jz4A1 VAL 23 H 0.07 0.36 0.24 -0.55 8.24 8.35 2jz4A1 VAL 23 HA 0.16 0.31 0.81 -0.75 4.13 4.66 2jz4A1 VAL 23 HB 0.10 -0.05 0.01 -0.04 2.12 2.14 2jz4A1 VAL 23 HG13 0.23 0.03 -0.03 -0.04 0.97 1.16 2jz4A1 VAL 23 HG23 0.05 0.01 -0.12 -0.04 0.95 0.86 2jz4A1 ARG 24 H 0.06 0.17 0.18 -0.55 8.46 8.32 2jz4A1 ARG 24 HA -0.01 0.25 0.76 -0.75 4.34 4.59 2jz4A1 ARG 24 HB2 0.01 0.02 -0.36 -0.04 1.90 1.53 2jz4A1 ARG 24 HB3 -0.01 -0.07 -0.23 -0.04 1.80 1.45 2jz4A1 ARG 24 HG2 -0.03 -0.05 -0.18 -0.04 1.67 1.37 2jz4A1 ARG 24 HG3 -0.03 0.01 -0.08 -0.04 1.67 1.53 2jz4A1 ARG 24 HD2 -0.03 -0.03 -0.13 -0.04 3.22 2.99 2jz4A1 ARG 24 HD3 -0.03 -0.03 -0.06 -0.04 3.22 3.06 2jz4A1 LYS 25 H -0.00 0.13 0.26 -0.55 8.42 8.25 2jz4A1 LYS 25 HA 0.01 0.27 0.88 -0.75 4.32 4.73 2jz4A1 LYS 25 HB2 -0.10 -0.10 -0.05 -0.04 1.87 1.58 2jz4A1 LYS 25 HB3 0.10 0.06 0.00 -0.04 1.79 1.91 2jz4A1 LYS 25 HG2 -0.00 0.09 0.04 -0.04 1.46 1.55 2jz4A1 LYS 25 HG3 -0.01 -0.09 -0.30 -0.04 1.46 1.02 2jz4A1 LYS 25 HD2 0.14 -0.01 -0.15 -0.04 1.69 1.63 2jz4A1 LYS 25 HD3 0.04 0.00 -0.09 -0.04 1.68 1.59 2jz4A1 LYS 25 HE2 0.14 -0.01 -0.12 -0.04 2.99 2.96 2jz4A1 LYS 25 HE3 0.21 0.02 -0.10 -0.04 2.99 3.08 2jz4A1 VAL 26 H 0.17 0.44 0.27 -0.55 8.24 8.57 2jz4A1 VAL 26 HA -0.01 0.25 0.95 -0.75 4.13 4.56 2jz4A1 VAL 26 HB 0.17 -0.03 0.04 -0.04 2.12 2.25 2jz4A1 VAL 26 HG13 0.19 0.01 -0.11 -0.04 0.97 1.02 2jz4A1 VAL 26 HG23 0.01 0.00 -0.20 -0.04 0.95 0.72 2jz4A1 HIS 27 H 0.04 0.33 0.27 -0.55 8.41 8.50 2jz4A1 HIS 27 HA -0.24 0.10 0.56 -0.75 4.63 4.29 2jz4A1 HIS 27 HB2 -0.09 -0.10 0.02 -0.04 3.26 3.06 2jz4A1 HIS 27 HB3 -0.47 0.00 0.02 -0.04 3.20 2.72 2jz4A1 HIS 27 HD2 0.22 -0.02 -0.08 -0.04 6.97 7.05 2jz4A1 HIS 27 HE1 -0.00 -0.05 -0.11 -0.04 7.75 7.54 2jz4A1 VAL 28 H -0.29 0.13 -0.07 -0.55 8.24 7.47 2jz4A1 VAL 28 HA -0.03 0.28 0.77 -0.75 4.13 4.40 2jz4A1 VAL 28 HB -0.09 -0.02 0.09 -0.04 2.12 2.05 2jz4A1 VAL 28 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.83 2jz4A1 VAL 28 HG23 0.12 -0.01 -0.31 -0.04 0.95 0.71 2jz4A1 GLY 29 H -0.02 0.65 0.03 -0.55 8.43 8.54 2jz4A1 GLY 29 HA2 -0.06 0.09 0.55 -0.51 4.01 4.08 2jz4A1 GLY 29 HA3 0.04 0.19 -0.19 -0.51 4.01 3.54 2jz4A1 GLN 30 H -0.03 0.25 0.08 -0.55 8.47 8.23 2jz4A1 GLN 30 HA -0.01 -0.05 0.52 -0.75 4.36 4.06 2jz4A1 GLN 30 HB2 -0.01 0.17 0.17 -0.04 2.15 2.43 2jz4A1 GLN 30 HB3 -0.01 -0.00 0.23 -0.04 2.02 2.19 2jz4A1 GLN 30 HG2 -0.00 0.21 -0.14 -0.04 2.40 2.43 2jz4A1 GLN 30 HG3 -0.01 -0.10 -0.06 -0.04 2.39 2.19 2jz4A1 GLN 30 HE21 -0.00 0.08 -0.00 -0.04 6.97 7.00 2jz4A1 GLN 30 HE22 -0.00 -0.06 -0.03 -0.04 7.69 7.55 2jz4A1 GLY 31 H -0.00 0.44 0.52 -0.55 8.43 8.85 2jz4A1 GLY 31 HA2 0.01 0.12 0.59 -0.51 4.01 4.22 2jz4A1 GLY 31 HA3 0.00 -0.01 0.44 -0.51 4.01 3.94 2jz4A1 GLN 32 H 0.01 0.14 0.14 -0.55 8.47 8.20 2jz4A1 GLN 32 HA 0.00 0.12 0.31 -0.75 4.36 4.04 2jz4A1 GLN 32 HB2 0.01 -0.01 0.16 -0.04 2.15 2.26 2jz4A1 GLN 32 HB3 0.01 -0.01 0.06 -0.04 2.02 2.04 2jz4A1 GLN 32 HG2 0.01 0.02 -0.01 -0.04 2.40 2.38 2jz4A1 GLN 32 HG3 0.01 0.02 0.08 -0.04 2.39 2.45 2jz4A1 GLN 32 HE21 0.01 0.01 -0.00 -0.04 6.97 6.94 2jz4A1 GLN 32 HE22 0.01 -0.00 -0.00 -0.04 7.69 7.65 2jz4A1 ASP 33 H 0.00 -0.02 -0.29 -0.55 8.40 7.55 2jz4A1 ASP 33 HA 0.01 0.21 0.78 -0.75 4.63 4.87 2jz4A1 ASP 33 HB2 0.01 -0.03 -0.04 -0.04 2.71 2.61 2jz4A1 ASP 33 HB3 0.01 -0.00 0.07 -0.04 2.70 2.74 2jz4A1 GLY 34 H -0.00 0.25 -0.08 -0.55 8.43 8.05 2jz4A1 GLY 34 HA2 -0.00 0.10 0.29 -0.51 4.01 3.89 2jz4A1 GLY 34 HA3 -0.00 0.13 0.52 -0.51 4.01 4.14 2jz4A1 VAL 35 H -0.03 0.55 0.22 -0.55 8.24 8.44 2jz4A1 VAL 35 HA -0.02 0.05 0.60 -0.75 4.13 4.00 2jz4A1 VAL 35 HB -0.05 -0.01 0.21 -0.04 2.12 2.23 2jz4A1 VAL 35 HG13 -0.03 -0.02 -0.14 -0.04 0.97 0.74 2jz4A1 VAL 35 HG23 -0.02 0.04 -0.17 -0.04 0.95 0.76 2jz4A1 SER 36 H -0.01 0.21 0.55 -0.55 8.46 8.66 2jz4A1 SER 36 HA -0.04 0.11 0.66 -0.75 4.49 4.46 2jz4A1 SER 36 HB2 0.01 0.11 0.19 -0.04 3.95 4.21 2jz4A1 SER 36 HB3 0.00 -0.02 0.22 -0.04 3.93 4.09 2jz4A1 SER 37 H 0.00 0.31 0.11 -0.55 8.46 8.34 2jz4A1 SER 37 HA 0.05 0.21 0.92 -0.75 4.49 4.92 2jz4A1 SER 37 HB2 0.11 0.01 -0.02 -0.04 3.95 4.01 2jz4A1 SER 37 HB3 0.06 0.06 -0.64 -0.04 3.93 3.37 2jz4A1 ILE 38 H 0.07 0.68 0.29 -0.55 8.25 8.75 2jz4A1 ILE 38 HA 0.05 0.22 0.63 -0.75 4.18 4.32 2jz4A1 ILE 38 HB 0.03 -0.01 0.12 -0.04 1.89 1.98 2jz4A1 ILE 38 HG12 0.08 0.08 -0.26 -0.04 1.49 1.34 2jz4A1 ILE 38 HG13 0.13 -0.08 -0.22 -0.04 1.21 1.00 2jz4A1 ILE 38 HG23 -0.00 0.00 -0.28 -0.04 0.93 0.60 2jz4A1 ILE 38 HD13 0.09 -0.01 -0.15 -0.04 0.88 0.77 2jz4A1 ASN 39 H 0.01 0.35 0.29 -0.55 8.53 8.63 2jz4A1 ASN 39 HA -0.05 0.28 0.65 -0.75 4.76 4.88 2jz4A1 ASN 39 HB2 0.14 0.07 -0.13 -0.04 2.88 2.92 2jz4A1 ASN 39 HB3 -0.33 -0.04 -0.03 -0.04 2.79 2.35 2jz4A1 ASN 39 HD21 -0.13 -0.06 -0.16 -0.04 7.03 6.63 2jz4A1 ASN 39 HD22 -0.74 0.02 -0.23 -0.04 7.74 6.75 2jz4A1 VAL 40 H -0.04 0.24 0.08 -0.55 8.24 7.98 2jz4A1 VAL 40 HA 0.03 0.18 1.00 -0.75 4.13 4.59 2jz4A1 VAL 40 HB 0.28 0.04 0.06 -0.04 2.12 2.46 2jz4A1 VAL 40 HG13 0.11 0.01 -0.10 -0.04 0.97 0.95 2jz4A1 VAL 40 HG23 0.23 0.04 0.11 -0.04 0.95 1.28 2jz4A1 VAL 41 H 0.02 0.28 0.27 -0.55 8.24 8.26 2jz4A1 VAL 41 HA -0.03 0.20 0.98 -0.75 4.13 4.53 2jz4A1 VAL 41 HB -0.04 -0.13 0.05 -0.04 2.12 1.96 2jz4A1 VAL 41 HG13 -0.13 0.04 0.06 -0.04 0.97 0.91 2jz4A1 VAL 41 HG23 -0.12 0.02 -0.12 -0.04 0.95 0.68 2jz4A1 TYR 42 H -0.33 0.41 0.30 -0.55 8.29 8.12 2jz4A1 TYR 42 HA 0.04 0.10 0.57 -0.75 4.56 4.51 2jz4A1 TYR 42 HB2 0.02 0.01 -0.05 -0.04 3.06 2.99 2jz4A1 TYR 42 HB3 0.05 0.13 -0.11 -0.04 2.98 3.01 2jz4A1 TYR 42 HD2 0.00 0.01 -0.22 -0.04 7.15 6.90 2jz4A1 TYR 42 HE2 -0.01 0.01 -0.10 -0.04 6.85 6.71 2jz4A1 ALA 43 H 0.15 0.24 -0.06 -0.55 8.40 8.18 2jz4A1 ALA 43 HA -0.00 0.05 0.76 -0.75 4.34 4.40 2jz4A1 ALA 43 HB3 0.02 0.03 -0.06 -0.04 1.41 1.37 2jz4A1 LYS 44 H 0.04 0.34 0.04 -0.55 8.42 8.29 2jz4A1 LYS 44 HA 0.07 0.21 0.83 -0.75 4.32 4.68 2jz4A1 LYS 44 HB2 0.07 0.14 0.07 -0.04 1.87 2.12 2jz4A1 LYS 44 HB3 0.06 -0.06 0.10 -0.04 1.79 1.85 2jz4A1 LYS 44 HG2 0.32 -0.04 -0.20 -0.04 1.46 1.50 2jz4A1 LYS 44 HG3 0.17 0.02 -0.04 -0.04 1.46 1.56 2jz4A1 LYS 44 HD2 0.13 0.14 -0.20 -0.04 1.69 1.73 2jz4A1 LYS 44 HD3 0.09 -0.01 -0.09 -0.04 1.68 1.62 2jz4A1 LYS 44 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 2jz4A1 LYS 44 HE3 0.04 -0.04 0.04 -0.04 2.99 2.99 2jz4A1 ASP 45 H 0.03 0.18 0.10 -0.55 8.40 8.16 2jz4A1 ASP 45 HA 0.02 0.09 0.26 -0.75 4.63 4.24 2jz4A1 ASP 45 HB2 0.02 -0.01 0.02 -0.04 2.71 2.70 2jz4A1 ASP 45 HB3 0.01 0.04 0.16 -0.04 2.70 2.87 2jz4A1 SER 46 H 0.02 0.40 -0.69 -0.55 8.46 7.64 2jz4A1 SER 46 HA 0.01 0.10 0.54 -0.75 4.49 4.38 2jz4A1 SER 46 HB2 0.01 0.08 -0.11 -0.04 3.95 3.89 2jz4A1 SER 46 HB3 0.01 -0.10 0.03 -0.04 3.93 3.83 2jz4A1 GLN 47 H 0.01 0.14 0.13 -0.55 8.47 8.20 2jz4A1 GLN 47 HA -0.01 0.16 0.80 -0.75 4.36 4.55 2jz4A1 GLN 47 HB2 -0.01 -0.00 0.03 -0.04 2.15 2.12 2jz4A1 GLN 47 HB3 -0.02 0.01 0.15 -0.04 2.02 2.12 2jz4A1 GLN 47 HG2 -0.01 0.06 -0.01 -0.04 2.40 2.40 2jz4A1 GLN 47 HG3 -0.00 -0.07 -0.48 -0.04 2.39 1.80 2jz4A1 GLN 47 HE21 -0.00 -0.04 -0.06 -0.04 6.97 6.83 2jz4A1 GLN 47 HE22 -0.00 -0.00 -0.02 -0.04 7.69 7.62 2jz4A1 ASP 48 H -0.04 0.11 0.19 -0.55 8.40 8.11 2jz4A1 ASP 48 HA -0.11 0.12 0.73 -0.75 4.63 4.62 2jz4A1 ASP 48 HB2 -0.07 -0.03 0.02 -0.04 2.71 2.59 2jz4A1 ASP 48 HB3 -0.12 0.04 0.06 -0.04 2.70 2.63 2jz4A1 VAL 49 H -0.41 0.49 0.31 -0.55 8.24 8.07 2jz4A1 VAL 49 HA -0.16 0.11 0.71 -0.75 4.13 4.04 2jz4A1 VAL 49 HB -0.68 -0.03 0.04 -0.04 2.12 1.41 2jz4A1 VAL 49 HG13 -0.04 0.02 0.01 -0.04 0.97 0.93 2jz4A1 VAL 49 HG23 -0.04 0.02 -0.21 -0.04 0.95 0.68 2jz4A1 GLU 50 H -0.11 0.26 0.20 -0.55 8.60 8.39 2jz4A1 GLU 50 HA -0.13 0.13 0.88 -0.75 4.29 4.42 2jz4A1 GLU 50 HB2 -0.07 0.01 -0.04 -0.04 2.09 1.95 2jz4A1 GLU 50 HB3 -0.04 0.07 -0.03 -0.04 1.99 1.95 2jz4A1 GLU 50 HG2 -0.06 0.03 0.01 -0.04 2.34 2.27 2jz4A1 GLU 50 HG3 -0.01 0.06 -0.02 -0.04 2.34 2.32 2jz4A1 GLY 51 H -0.04 -0.13 0.24 -0.55 8.43 7.95 2jz4A1 GLY 51 HA2 -0.02 0.04 0.32 -0.51 4.01 3.83 2jz4A1 GLY 51 HA3 0.00 0.19 0.66 -0.51 4.01 4.36 2jz4A1 GLY 52 H -0.05 -0.13 0.19 -0.55 8.43 7.89 2jz4A1 GLY 52 HA2 -0.14 0.24 0.66 -0.51 4.01 4.26 2jz4A1 GLY 52 HA3 -0.04 0.15 0.47 -0.51 4.01 4.09 2jz4A1 GLU 53 H -0.18 0.09 -0.21 -0.55 8.60 7.75 2jz4A1 GLU 53 HA -0.11 0.17 0.96 -0.75 4.29 4.55 2jz4A1 GLU 53 HB2 -0.02 -0.12 0.13 -0.04 2.09 2.04 2jz4A1 GLU 53 HB3 -0.05 0.01 0.11 -0.04 1.99 2.02 2jz4A1 GLU 53 HG2 0.03 0.14 -0.03 -0.04 2.34 2.43 2jz4A1 GLU 53 HG3 0.11 0.02 0.10 -0.04 2.34 2.52 2jz4A1 HIS 54 H -0.02 0.54 0.30 -0.55 8.41 8.68 2jz4A1 HIS 54 HA 0.04 0.16 0.80 -0.75 4.63 4.88 2jz4A1 HIS 54 HB2 0.03 -0.00 -0.07 -0.04 3.26 3.19 2jz4A1 HIS 54 HB3 0.04 -0.06 0.06 -0.04 3.20 3.20 2jz4A1 HIS 54 HD2 0.03 0.04 -0.01 -0.04 6.97 6.99 2jz4A1 HIS 54 HE1 0.05 -0.04 -0.00 -0.04 7.75 7.71 2jz4A1 GLY 55 H 0.14 0.06 0.18 -0.55 8.43 8.26 2jz4A1 GLY 55 HA2 0.05 -0.03 0.50 -0.51 4.01 4.03 2jz4A1 GLY 55 HA3 0.05 0.21 0.85 -0.51 4.01 4.61 2jz4A1 LYS 56 H 0.03 0.87 0.37 -0.55 8.42 9.14 2jz4A1 LYS 56 HA 0.03 0.09 0.81 -0.75 4.32 4.50 2jz4A1 LYS 56 HB2 0.02 -0.04 0.00 -0.04 1.87 1.82 2jz4A1 LYS 56 HB3 0.02 -0.07 0.16 -0.04 1.79 1.86 2jz4A1 LYS 56 HG2 0.02 -0.07 0.02 -0.04 1.46 1.39 2jz4A1 LYS 56 HG3 0.02 0.09 0.02 -0.04 1.46 1.54 2jz4A1 LYS 56 HD2 0.02 -0.05 0.05 -0.04 1.69 1.66 2jz4A1 LYS 56 HD3 0.03 0.12 0.18 -0.04 1.68 1.96 2jz4A1 LYS 56 HE2 0.02 -0.06 -0.01 -0.04 2.99 2.91 2jz4A1 LYS 56 HE3 0.03 -0.03 0.02 -0.04 2.99 2.96 2jz4A1 LYS 57 H 0.03 0.12 -0.01 -0.55 8.42 8.01 2jz4A1 LYS 57 HA 0.06 0.14 0.52 -0.75 4.32 4.28 2jz4A1 LYS 57 HB2 0.05 0.01 0.06 -0.04 1.87 1.95 2jz4A1 LYS 57 HB3 -0.02 -0.03 0.00 -0.04 1.79 1.70 2jz4A1 LYS 57 HG2 -0.06 0.05 -0.11 -0.04 1.46 1.30 2jz4A1 LYS 57 HG3 0.15 0.04 0.10 -0.04 1.46 1.72 2jz4A1 LYS 57 HD2 -0.81 -0.00 -0.06 -0.04 1.69 0.78 2jz4A1 LYS 57 HD3 -0.09 -0.02 -0.04 -0.04 1.68 1.49 2jz4A1 LYS 57 HE2 -0.17 -0.00 -0.15 -0.04 2.99 2.63 2jz4A1 LYS 57 HE3 -0.37 -0.01 -0.08 -0.04 2.99 2.48 2jz4A1 THR 58 H 0.04 0.47 0.25 -0.55 8.28 8.49 2jz4A1 THR 58 HA -0.01 0.14 0.66 -0.75 4.39 4.43 2jz4A1 THR 58 HB 0.01 0.16 -0.12 -0.04 4.32 4.32 2jz4A1 THR 58 HG23 0.02 -0.00 -0.08 -0.04 1.22 1.11 2jz4A1 LEU 59 H -0.02 0.19 0.12 -0.55 8.37 8.12 2jz4A1 LEU 59 HA -0.04 0.12 0.43 -0.75 4.35 4.11 2jz4A1 LEU 59 HB2 -0.03 0.01 0.10 -0.04 1.64 1.68 2jz4A1 LEU 59 HB3 -0.01 -0.00 0.07 -0.04 1.64 1.65 2jz4A1 LEU 59 HG -0.01 0.03 -0.04 -0.04 1.64 1.58 2jz4A1 LEU 59 HD13 -0.03 0.01 0.05 -0.04 0.93 0.91 2jz4A1 LEU 59 HD23 -0.02 0.00 -0.00 -0.04 0.89 0.83 2jz4A1 LEU 60 H 0.00 -0.01 -0.35 -0.55 8.37 7.47 2jz4A1 LEU 60 HA 0.01 0.19 0.71 -0.75 4.35 4.50 2jz4A1 LEU 60 HB2 0.01 -0.04 0.01 -0.04 1.64 1.58 2jz4A1 LEU 60 HB3 0.01 0.06 0.14 -0.04 1.64 1.81 2jz4A1 LEU 60 HG -0.00 -0.11 -0.14 -0.04 1.64 1.34 2jz4A1 LEU 60 HD13 0.00 0.00 -0.01 -0.04 0.93 0.88 2jz4A1 LEU 60 HD23 0.00 0.04 -0.04 -0.04 0.89 0.85 2jz4A1 GLY 61 H 0.04 0.32 -0.52 -0.55 8.43 7.72 2jz4A1 GLY 61 HA2 0.02 0.12 0.61 -0.51 4.01 4.24 2jz4A1 GLY 61 HA3 0.03 0.15 0.14 -0.51 4.01 3.82 2jz4A1 PHE 62 H 0.05 0.42 0.15 -0.55 8.34 8.42 2jz4A1 PHE 62 HA -0.07 -0.02 0.35 -0.75 4.62 4.12 2jz4A1 PHE 62 HB2 -0.05 0.13 0.05 -0.04 3.15 3.24 2jz4A1 PHE 62 HB3 -0.07 0.01 -0.09 -0.04 3.06 2.87 2jz4A1 PHE 62 HD2 -0.07 -0.00 -0.12 -0.04 7.28 7.04 2jz4A1 PHE 62 HE2 -0.03 -0.04 -0.11 -0.04 7.38 7.15 2jz4A1 PHE 62 HZ -0.20 -0.05 -0.07 -0.04 7.32 6.96 2jz4A1 GLU 63 H -1.12 0.18 0.06 -0.55 8.60 7.18 2jz4A1 GLU 63 HA -0.47 0.19 0.66 -0.75 4.29 3.91 2jz4A1 GLU 63 HB2 -0.58 -0.18 -0.02 -0.04 2.09 1.27 2jz4A1 GLU 63 HB3 -0.90 0.02 -0.01 -0.04 1.99 1.06 2jz4A1 GLU 63 HG2 -0.40 0.14 -0.05 -0.04 2.34 1.98 2jz4A1 GLU 63 HG3 -1.12 0.03 0.07 -0.04 2.34 1.28 2jz4A1 THR 64 H -0.35 0.30 0.16 -0.55 8.28 7.83 2jz4A1 THR 64 HA -0.50 0.15 0.74 -0.75 4.39 4.03 2jz4A1 THR 64 HB -0.09 0.01 0.02 -0.04 4.32 4.23 2jz4A1 THR 64 HG23 -0.08 -0.00 -0.08 -0.04 1.22 1.02 2jz4A1 PHE 65 H 0.28 0.33 0.11 -0.55 8.34 8.50 2jz4A1 PHE 65 HA 0.11 0.12 0.79 -0.75 4.62 4.89 2jz4A1 PHE 65 HB2 0.37 0.02 -0.12 -0.04 3.15 3.39 2jz4A1 PHE 65 HB3 0.14 -0.06 0.18 -0.04 3.06 3.28 2jz4A1 PHE 65 HD2 -0.02 0.02 -0.01 -0.04 7.28 7.23 2jz4A1 PHE 65 HE2 -0.12 -0.01 -0.09 -0.04 7.38 7.12 2jz4A1 PHE 65 HZ 0.04 -0.04 -0.13 -0.04 7.32 7.15 2jz4A1 GLU 66 H -0.21 0.21 0.07 -0.55 8.60 8.12 2jz4A1 GLU 66 HA -0.09 0.15 0.81 -0.75 4.29 4.40 2jz4A1 GLU 66 HB2 -0.12 -0.01 0.13 -0.04 2.09 2.05 2jz4A1 GLU 66 HB3 -0.10 0.03 -0.04 -0.04 1.99 1.84 2jz4A1 GLU 66 HG2 -0.02 0.04 -0.02 -0.04 2.34 2.30 2jz4A1 GLU 66 HG3 -0.00 -0.07 -0.13 -0.04 2.34 2.10 2jz4A1 VAL 67 H -0.15 0.57 0.24 -0.55 8.24 8.34 2jz4A1 VAL 67 HA -0.34 0.01 0.77 -0.75 4.13 3.82 2jz4A1 VAL 67 HB -0.08 0.12 0.06 -0.04 2.12 2.17 2jz4A1 VAL 67 HG13 -0.08 0.03 -0.12 -0.04 0.97 0.75 2jz4A1 VAL 67 HG23 -0.12 -0.00 -0.20 -0.04 0.95 0.59 2jz4A1 ASP 68 H -0.18 0.10 0.10 -0.55 8.40 7.87 2jz4A1 ASP 68 HA -0.09 0.10 0.37 -0.75 4.63 4.25 2jz4A1 ASP 68 HB2 -0.11 0.09 0.10 -0.04 2.71 2.75 2jz4A1 ASP 68 HB3 -0.13 -0.06 0.03 -0.04 2.70 2.50 2jz4A1 ALA 69 H -0.07 0.14 0.18 -0.55 8.40 8.10 2jz4A1 ALA 69 HA -0.06 0.19 0.52 -0.75 4.34 4.24 2jz4A1 ALA 69 HB3 -0.03 0.02 0.11 -0.04 1.41 1.47 2jz4A1 ASP 70 H -0.12 -0.09 -0.34 -0.55 8.40 7.30 2jz4A1 ASP 70 HA -0.21 0.23 0.65 -0.75 4.63 4.55 2jz4A1 ASP 70 HB2 -0.06 -0.07 -0.02 -0.04 2.71 2.52 2jz4A1 ASP 70 HB3 -0.01 0.02 0.09 -0.04 2.70 2.76 2jz4A1 ASP 71 H -0.28 0.34 -0.39 -0.55 8.40 7.52 2jz4A1 ASP 71 HA -0.19 0.02 0.74 -0.75 4.63 4.45 2jz4A1 ASP 71 HB2 -0.14 -0.14 0.13 -0.04 2.71 2.52 2jz4A1 ASP 71 HB3 -0.16 0.21 0.04 -0.04 2.70 2.75 2jz4A1 TYR 72 H 0.05 0.06 0.16 -0.55 8.29 8.01 2jz4A1 TYR 72 HA 0.08 0.20 0.73 -0.75 4.56 4.82 2jz4A1 TYR 72 HB2 0.11 -0.08 0.14 -0.04 3.06 3.19 2jz4A1 TYR 72 HB3 0.04 0.05 0.03 -0.04 2.98 3.05 2jz4A1 TYR 72 HD2 0.07 -0.03 -0.01 -0.04 7.15 7.13 2jz4A1 TYR 72 HE2 0.03 0.01 -0.04 -0.04 6.85 6.81 2jz4A1 ILE 73 H 0.18 0.26 0.05 -0.55 8.25 8.19 2jz4A1 ILE 73 HA 0.20 0.04 0.82 -0.75 4.18 4.48 2jz4A1 ILE 73 HB 0.16 0.03 0.14 -0.04 1.89 2.17 2jz4A1 ILE 73 HG12 0.19 -0.03 -0.11 -0.04 1.49 1.50 2jz4A1 ILE 73 HG13 0.10 -0.03 -0.11 -0.04 1.21 1.13 2jz4A1 ILE 73 HG23 0.22 0.00 -0.09 -0.04 0.93 1.02 2jz4A1 ILE 73 HD13 -0.05 0.01 -0.09 -0.04 0.88 0.72 2jz4A1 VAL 74 H 0.20 0.22 0.33 -0.55 8.24 8.44 2jz4A1 VAL 74 HA 0.13 0.10 0.69 -0.75 4.13 4.30 2jz4A1 VAL 74 HB 0.11 0.04 0.10 -0.04 2.12 2.33 2jz4A1 VAL 74 HG13 0.17 0.01 -0.02 -0.04 0.97 1.09 2jz4A1 VAL 74 HG23 0.22 -0.01 -0.10 -0.04 0.95 1.02 2jz4A1 ALA 75 H 0.15 0.44 0.24 -0.55 8.40 8.68 2jz4A1 ALA 75 HA 0.13 0.23 0.89 -0.75 4.34 4.84 2jz4A1 ALA 75 HB3 0.07 0.01 -0.03 -0.04 1.41 1.42 2jz4A1 VAL 76 H 0.11 0.53 0.31 -0.55 8.24 8.64 2jz4A1 VAL 76 HA -0.00 0.22 0.79 -0.75 4.13 4.38 2jz4A1 VAL 76 HB 0.10 -0.01 -0.03 -0.04 2.12 2.14 2jz4A1 VAL 76 HG13 -0.13 0.00 -0.16 -0.04 0.97 0.64 2jz4A1 VAL 76 HG23 0.28 -0.02 -0.22 -0.04 0.95 0.94 2jz4A1 GLN 77 H -0.17 0.57 0.27 -0.55 8.47 8.59 2jz4A1 GLN 77 HA -0.11 0.16 0.93 -0.75 4.36 4.59 2jz4A1 GLN 77 HB2 -0.17 -0.05 0.10 -0.04 2.15 1.99 2jz4A1 GLN 77 HB3 -0.11 0.04 0.02 -0.04 2.02 1.93 2jz4A1 GLN 77 HG2 -0.09 0.04 -0.07 -0.04 2.40 2.24 2jz4A1 GLN 77 HG3 -0.08 0.01 -0.05 -0.04 2.39 2.22 2jz4A1 GLN 77 HE21 -0.01 -0.02 -0.24 -0.04 6.97 6.65 2jz4A1 GLN 77 HE22 0.01 -0.00 -0.14 -0.04 7.69 7.52 2jz4A1 VAL 78 H -0.35 0.47 0.26 -0.55 8.24 8.07 2jz4A1 VAL 78 HA -0.28 0.19 0.98 -0.75 4.13 4.27 2jz4A1 VAL 78 HB -0.99 -0.00 0.05 -0.04 2.12 1.13 2jz4A1 VAL 78 HG13 -0.22 0.01 -0.12 -0.04 0.97 0.60 2jz4A1 VAL 78 HG23 -0.18 -0.02 -0.28 -0.04 0.95 0.43 2jz4A1 THR 79 H -0.17 0.59 0.35 -0.55 8.28 8.50 2jz4A1 THR 79 HA -0.11 0.21 1.06 -0.75 4.39 4.80 2jz4A1 THR 79 HB -0.10 -0.18 0.18 -0.04 4.32 4.18 2jz4A1 THR 79 HG23 -0.11 0.09 0.09 -0.04 1.22 1.24 2jz4A1 TYR 80 H -0.23 0.74 0.36 -0.55 8.29 8.61 2jz4A1 TYR 80 HA 0.00 0.01 0.89 -0.75 4.56 4.72 2jz4A1 TYR 80 HB2 0.07 0.09 0.12 -0.04 3.06 3.30 2jz4A1 TYR 80 HB3 0.08 0.05 -0.14 -0.04 2.98 2.94 2jz4A1 TYR 80 HD2 0.11 -0.00 -0.24 -0.04 7.15 6.98 2jz4A1 TYR 80 HE2 0.18 -0.01 -0.19 -0.04 6.85 6.79 2jz4A1 ASP 81 H 0.18 0.71 0.38 -0.55 8.40 9.12 2jz4A1 ASP 81 HA -0.02 0.06 0.47 -0.75 4.63 4.39 2jz4A1 ASP 81 HB2 -0.03 0.07 -0.14 -0.04 2.71 2.57 2jz4A1 ASP 81 HB3 0.02 0.02 -0.06 -0.04 2.70 2.64 2jz4A1 ASN 82 H 0.05 0.29 0.20 -0.55 8.53 8.53 2jz4A1 ASN 82 HA 0.08 0.09 0.67 -0.75 4.76 4.85 2jz4A1 ASN 82 HB2 0.12 0.04 0.00 -0.04 2.88 3.00 2jz4A1 ASN 82 HB3 0.09 -0.03 0.05 -0.04 2.79 2.86 2jz4A1 ASN 82 HD21 0.07 0.03 0.09 -0.04 7.03 7.18 2jz4A1 ASN 82 HD22 0.07 -0.00 -0.03 -0.04 7.74 7.73 2jz4A1 VAL 83 H 0.07 0.25 0.20 -0.55 8.24 8.21 2jz4A1 VAL 83 HA 0.09 0.18 0.75 -0.75 4.13 4.39 2jz4A1 VAL 83 HB 0.08 0.01 0.10 -0.04 2.12 2.26 2jz4A1 VAL 83 HG13 0.04 0.02 -0.16 -0.04 0.97 0.83 2jz4A1 VAL 83 HG23 0.05 0.01 -0.14 -0.04 0.95 0.83 2jz4A1 PHE 84 H 0.21 0.18 0.11 -0.55 8.34 8.30 2jz4A1 PHE 84 HA 0.02 0.02 0.36 -0.75 4.62 4.26 2jz4A1 PHE 84 HB2 0.01 0.02 0.14 -0.04 3.15 3.28 2jz4A1 PHE 84 HB3 0.01 0.02 0.21 -0.04 3.06 3.26 2jz4A1 PHE 84 HD2 0.01 -0.01 0.00 -0.04 7.28 7.24 2jz4A1 PHE 84 HE2 0.01 0.01 -0.02 -0.04 7.38 7.33 2jz4A1 PHE 84 HZ 0.01 0.01 -0.02 -0.04 7.32 7.27 2jz4A1 GLY 85 H -0.10 0.18 0.23 -0.55 8.43 8.20 2jz4A1 GLY 85 HA2 -0.30 0.01 0.34 -0.51 4.01 3.55 2jz4A1 GLY 85 HA3 -0.20 0.20 0.75 -0.51 4.01 4.25 2jz4A1 GLN 86 H -0.00 0.54 -0.02 -0.55 8.47 8.44 2jz4A1 GLN 86 HA 0.01 0.11 0.66 -0.75 4.36 4.39 2jz4A1 GLN 86 HB2 0.05 -0.09 0.25 -0.04 2.15 2.31 2jz4A1 GLN 86 HB3 0.06 0.08 0.02 -0.04 2.02 2.14 2jz4A1 GLN 86 HG2 0.02 -0.01 -0.12 -0.04 2.40 2.25 2jz4A1 GLN 86 HG3 0.04 0.03 -0.02 -0.04 2.39 2.40 2jz4A1 GLN 86 HE21 0.02 0.00 -0.09 -0.04 6.97 6.86 2jz4A1 GLN 86 HE22 0.03 -0.01 -0.08 -0.04 7.69 7.59 2jz4A1 ASP 87 H -0.01 0.42 0.13 -0.55 8.40 8.40 2jz4A1 ASP 87 HA 0.00 0.08 0.43 -0.75 4.63 4.39 2jz4A1 ASP 87 HB2 -0.02 0.04 0.10 -0.04 2.71 2.79 2jz4A1 ASP 87 HB3 -0.02 0.01 0.10 -0.04 2.70 2.76 2jz4A1 SER 88 H 0.05 0.07 -0.65 -0.55 8.46 7.38 2jz4A1 SER 88 HA 0.01 0.05 0.71 -0.75 4.49 4.51 2jz4A1 SER 88 HB2 -0.02 -0.01 -0.08 -0.04 3.95 3.80 2jz4A1 SER 88 HB3 -0.10 0.10 -0.10 -0.04 3.93 3.79 2jz4A1 ASP 89 H 0.07 0.11 0.01 -0.55 8.40 8.04 2jz4A1 ASP 89 HA 0.11 0.07 0.52 -0.75 4.63 4.58 2jz4A1 ASP 89 HB2 0.07 -0.11 0.02 -0.04 2.71 2.66 2jz4A1 ASP 89 HB3 0.15 0.15 0.06 -0.04 2.70 3.02 2jz4A1 ILE 90 H 0.12 0.31 0.37 -0.55 8.25 8.50 2jz4A1 ILE 90 HA 0.08 0.24 0.97 -0.75 4.18 4.72 2jz4A1 ILE 90 HB -0.02 0.01 0.14 -0.04 1.89 1.98 2jz4A1 ILE 90 HG12 0.07 -0.06 0.09 -0.04 1.49 1.55 2jz4A1 ILE 90 HG13 0.04 0.01 -0.03 -0.04 1.21 1.19 2jz4A1 ILE 90 HG23 -0.04 0.03 -0.32 -0.04 0.93 0.56 2jz4A1 ILE 90 HD13 0.02 -0.00 -0.06 -0.04 0.88 0.80 2jz4A1 ILE 91 H 0.00 0.52 0.31 -0.55 8.25 8.53 2jz4A1 ILE 91 HA 0.09 0.15 0.89 -0.75 4.18 4.55 2jz4A1 ILE 91 HB -0.02 -0.01 0.06 -0.04 1.89 1.89 2jz4A1 ILE 91 HG12 0.09 0.07 -0.15 -0.04 1.49 1.46 2jz4A1 ILE 91 HG13 0.03 0.06 -0.55 -0.04 1.21 0.72 2jz4A1 ILE 91 HG23 -0.03 0.04 -0.31 -0.04 0.93 0.59 2jz4A1 ILE 91 HD13 0.01 -0.05 -0.27 -0.04 0.88 0.53 2jz4A1 THR 92 H 0.01 0.40 -0.02 -0.55 8.28 8.12 2jz4A1 THR 92 HA -0.01 0.07 0.79 -0.75 4.39 4.48 2jz4A1 THR 92 HB -0.03 0.20 -0.02 -0.04 4.32 4.43 2jz4A1 THR 92 HG23 -0.00 -0.01 -0.21 -0.04 1.22 0.96 2jz4A1 SER 93 H -0.06 0.14 -0.02 -0.55 8.46 7.97 2jz4A1 SER 93 HA -0.05 0.18 0.53 -0.75 4.49 4.39 2jz4A1 SER 93 HB2 -0.07 0.07 -0.34 -0.04 3.95 3.57 2jz4A1 SER 93 HB3 -0.06 -0.03 -1.27 -0.04 3.93 2.53 2jz4A1 ILE 94 H -0.12 0.18 0.07 -0.55 8.25 7.84 2jz4A1 ILE 94 HA -0.31 0.33 0.88 -0.75 4.18 4.33 2jz4A1 ILE 94 HB -0.25 -0.02 -0.01 -0.04 1.89 1.56 2jz4A1 ILE 94 HG12 -0.10 -0.03 -0.39 -0.04 1.49 0.93 2jz4A1 ILE 94 HG13 -0.11 0.00 -0.15 -0.04 1.21 0.91 2jz4A1 ILE 94 HG23 -0.91 -0.01 -0.11 -0.04 0.93 -0.14 2jz4A1 ILE 94 HD13 -0.15 0.04 -0.12 -0.04 0.88 0.61 2jz4A1 THR 95 H -0.52 0.38 0.11 -0.55 8.28 7.70 2jz4A1 THR 95 HA -0.66 0.17 0.57 -0.75 4.39 3.72 2jz4A1 THR 95 HB -0.22 -0.10 0.11 -0.04 4.32 4.07 2jz4A1 THR 95 HG23 -0.19 0.04 -0.11 -0.04 1.22 0.92 2jz4A1 PHE 96 H -0.71 0.15 0.11 -0.55 8.34 7.34 2jz4A1 PHE 96 HA -0.16 0.13 0.85 -0.75 4.62 4.69 2jz4A1 PHE 96 HB2 -0.85 -0.04 0.07 -0.04 3.15 2.29 2jz4A1 PHE 96 HB3 -0.17 0.02 0.01 -0.04 3.06 2.88 2jz4A1 PHE 96 HD2 -0.77 0.03 -0.03 -0.04 7.28 6.48 2jz4A1 PHE 96 HE2 -0.04 0.02 -0.12 -0.04 7.38 7.19 2jz4A1 PHE 96 HZ -0.05 0.02 -0.11 -0.04 7.32 7.14 2jz4A1 ASN 97 H 0.15 0.57 0.34 -0.55 8.53 9.04 2jz4A1 ASN 97 HA 0.08 0.19 0.99 -0.75 4.76 5.26 2jz4A1 ASN 97 HB2 0.07 -0.08 0.12 -0.04 2.88 2.95 2jz4A1 ASN 97 HB3 0.05 0.04 0.03 -0.04 2.79 2.86 2jz4A1 ASN 97 HD21 -0.04 0.25 -0.56 -0.04 7.03 6.64 2jz4A1 ASN 97 HD22 -0.08 -0.01 -0.32 -0.04 7.74 7.29 2jz4A1 THR 98 H 0.13 0.76 0.28 -0.55 8.28 8.91 2jz4A1 THR 98 HA 0.19 0.08 0.95 -0.75 4.39 4.85 2jz4A1 THR 98 HB 0.13 -0.10 0.19 -0.04 4.32 4.51 2jz4A1 THR 98 HG23 0.25 0.05 -0.08 -0.04 1.22 1.39 2jz4A1 PHE 99 H 0.28 0.57 0.46 -0.55 8.34 9.10 2jz4A1 PHE 99 HA 0.08 0.16 0.64 -0.75 4.62 4.74 2jz4A1 PHE 99 HB2 0.13 0.03 0.19 -0.04 3.15 3.46 2jz4A1 PHE 99 HB3 0.18 -0.06 0.26 -0.04 3.06 3.41 2jz4A1 PHE 99 HD2 0.12 -0.00 0.01 -0.04 7.28 7.36 2jz4A1 PHE 99 HE2 0.05 0.01 0.01 -0.04 7.38 7.40 2jz4A1 PHE 99 HZ 0.03 0.00 0.01 -0.04 7.32 7.32 2jz4A1 LYS 100 H 0.09 -0.03 0.03 -0.55 8.42 7.96 2jz4A1 LYS 100 HA -0.14 0.17 0.38 -0.75 4.32 3.98 2jz4A1 LYS 100 HB2 -0.00 -0.06 0.03 -0.04 1.87 1.79 2jz4A1 LYS 100 HB3 -0.01 0.08 0.13 -0.04 1.79 1.95 2jz4A1 LYS 100 HG2 0.06 -0.18 0.18 -0.04 1.46 1.48 2jz4A1 LYS 100 HG3 -0.00 0.01 0.04 -0.04 1.46 1.46 2jz4A1 LYS 100 HD2 0.33 -0.05 -0.06 -0.04 1.69 1.87 2jz4A1 LYS 100 HD3 0.18 0.05 0.20 -0.04 1.68 2.07 2jz4A1 LYS 100 HE2 0.13 -0.01 0.02 -0.04 2.99 3.09 2jz4A1 LYS 100 HE3 0.29 0.06 0.04 -0.04 2.99 3.34 2jz4A1 GLY 101 H -0.07 0.14 -0.82 -0.55 8.43 7.13 2jz4A1 GLY 101 HA2 -0.06 0.09 0.19 -0.51 4.01 3.73 2jz4A1 GLY 101 HA3 -0.06 0.14 0.57 -0.51 4.01 4.15 2jz4A1 LYS 102 H 0.02 -0.10 -0.16 -0.55 8.42 7.63 2jz4A1 LYS 102 HA 0.04 0.21 0.71 -0.75 4.32 4.52 2jz4A1 LYS 102 HB2 0.10 -0.08 -0.02 -0.04 1.87 1.83 2jz4A1 LYS 102 HB3 0.07 0.07 -0.00 -0.04 1.79 1.89 2jz4A1 LYS 102 HG2 0.01 -0.15 -0.11 -0.04 1.46 1.17 2jz4A1 LYS 102 HG3 -0.00 0.01 -0.03 -0.04 1.46 1.39 2jz4A1 LYS 102 HD2 0.00 0.02 -0.08 -0.04 1.69 1.60 2jz4A1 LYS 102 HD3 0.00 0.07 -0.35 -0.04 1.68 1.36 2jz4A1 LYS 102 HE2 -0.02 0.04 -0.13 -0.04 2.99 2.84 2jz4A1 LYS 102 HE3 -0.02 -0.06 -0.05 -0.04 2.99 2.82 2jz4A1 THR 103 H 0.06 0.26 0.10 -0.55 8.28 8.15 2jz4A1 THR 103 HA 0.06 0.20 0.95 -0.75 4.39 4.84 2jz4A1 THR 103 HB -0.01 0.08 0.04 -0.04 4.32 4.39 2jz4A1 THR 103 HG23 0.02 0.00 -0.10 -0.04 1.22 1.10 2jz4A1 SER 104 H -0.01 0.32 0.20 -0.55 8.46 8.42 2jz4A1 SER 104 HA 0.08 0.10 0.75 -0.75 4.49 4.67 2jz4A1 SER 104 HB2 -0.52 0.15 0.09 -0.04 3.95 3.62 2jz4A1 SER 104 HB3 0.22 -0.02 0.16 -0.04 3.93 4.24 2jz4A1 PRO 105 HA -0.04 0.11 0.45 -0.51 4.44 4.45 2jz4A1 PRO 105 HB2 0.05 0.11 0.02 -0.04 2.28 2.42 2jz4A1 PRO 105 HB3 0.03 0.01 0.12 -0.04 2.02 2.14 2jz4A1 PRO 105 HG2 0.25 0.01 -0.03 -0.04 2.03 2.23 2jz4A1 PRO 105 HG3 0.11 0.03 0.08 -0.04 2.03 2.20 2jz4A1 PRO 105 HD2 0.23 0.03 0.26 -0.04 3.68 4.15 2jz4A1 PRO 105 HD3 0.09 0.16 0.24 -0.04 3.65 4.10 2jz4A1 PRO 106 HA -0.17 0.20 0.58 -0.51 4.44 4.53 2jz4A1 PRO 106 HB2 -0.05 0.19 0.15 -0.04 2.28 2.52 2jz4A1 PRO 106 HB3 -0.09 -0.00 0.10 -0.04 2.02 1.99 2jz4A1 PRO 106 HG2 -0.01 0.03 0.21 -0.04 2.03 2.21 2jz4A1 PRO 106 HG3 -0.04 0.01 0.13 -0.04 2.03 2.09 2jz4A1 PRO 106 HD2 -0.01 0.07 0.23 -0.04 3.68 3.92 2jz4A1 PRO 106 HD3 -0.05 0.13 0.20 -0.04 3.65 3.89 2jz4A1 TYR 107 H -0.11 0.67 0.44 -0.55 8.29 8.73 2jz4A1 TYR 107 HA -0.08 0.07 0.38 -0.75 4.56 4.17 2jz4A1 TYR 107 HB2 -0.19 -0.10 0.18 -0.04 3.06 2.90 2jz4A1 TYR 107 HB3 -0.11 0.03 0.22 -0.04 2.98 3.08 2jz4A1 TYR 107 HD2 -0.13 -0.02 -0.15 -0.04 7.15 6.82 2jz4A1 TYR 107 HE2 0.04 -0.03 -0.05 -0.04 6.85 6.77 2jz4A1 GLY 108 H 0.02 0.34 -0.95 -0.55 8.43 7.29 2jz4A1 GLY 108 HA2 -0.00 0.05 0.24 -0.51 4.01 3.79 2jz4A1 GLY 108 HA3 -0.01 0.36 0.35 -0.51 4.01 4.21 2jz4A1 LEU 109 H -0.02 0.18 -0.07 -0.55 8.37 7.92 2jz4A1 LEU 109 HA -0.02 0.06 0.40 -0.75 4.35 4.03 2jz4A1 LEU 109 HB2 -0.01 0.03 0.04 -0.04 1.64 1.65 2jz4A1 LEU 109 HB3 -0.02 -0.04 0.05 -0.04 1.64 1.59 2jz4A1 LEU 109 HG -0.03 0.16 -0.29 -0.04 1.64 1.44 2jz4A1 LEU 109 HD13 -0.01 -0.01 -0.00 -0.04 0.93 0.86 2jz4A1 LEU 109 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.77 2jz4A1 GLU 110 H -0.04 0.17 0.19 -0.55 8.60 8.38 2jz4A1 GLU 110 HA -0.07 -0.01 0.44 -0.75 4.29 3.90 2jz4A1 GLU 110 HB2 -0.04 -0.02 0.14 -0.04 2.09 2.12 2jz4A1 GLU 110 HB3 -0.05 0.05 -0.02 -0.04 1.99 1.93 2jz4A1 GLU 110 HG2 -0.08 0.00 -0.05 -0.04 2.34 2.17 2jz4A1 GLU 110 HG3 -0.06 0.07 0.05 -0.04 2.34 2.36 2jz4A1 THR 111 H -0.08 0.20 0.19 -0.55 8.28 8.04 2jz4A1 THR 111 HA -0.05 0.13 0.72 -0.75 4.39 4.44 2jz4A1 THR 111 HB -0.10 0.10 0.06 -0.04 4.32 4.34 2jz4A1 THR 111 HG23 -0.08 -0.05 0.11 -0.04 1.22 1.16 2jz4A1 GLN 112 H -0.07 0.12 0.14 -0.55 8.47 8.11 2jz4A1 GLN 112 HA -0.05 0.08 0.37 -0.75 4.36 4.00 2jz4A1 GLN 112 HB2 -0.04 0.01 0.14 -0.04 2.15 2.22 2jz4A1 GLN 112 HB3 -0.06 -0.06 0.18 -0.04 2.02 2.03 2jz4A1 GLN 112 HG2 -0.04 0.02 -0.19 -0.04 2.40 2.15 2jz4A1 GLN 112 HG3 -0.02 0.02 0.03 -0.04 2.39 2.37 2jz4A1 GLN 112 HE21 -0.00 0.01 0.01 -0.04 6.97 6.95 2jz4A1 GLN 112 HE22 -0.00 -0.00 0.01 -0.04 7.69 7.65 2jz4A1 LYS 113 H -0.18 0.03 -0.02 -0.55 8.42 7.69 2jz4A1 LYS 113 HA -0.25 0.04 0.51 -0.75 4.32 3.86 2jz4A1 LYS 113 HB2 -0.48 0.16 0.25 -0.04 1.87 1.76 2jz4A1 LYS 113 HB3 -1.63 -0.02 -0.00 -0.04 1.79 0.10 2jz4A1 LYS 113 HG2 -0.16 -0.07 0.09 -0.04 1.46 1.28 2jz4A1 LYS 113 HG3 -0.19 -0.03 0.02 -0.04 1.46 1.21 2jz4A1 LYS 113 HD2 0.05 -0.02 -0.02 -0.04 1.69 1.66 2jz4A1 LYS 113 HD3 -0.12 0.05 0.02 -0.04 1.68 1.58 2jz4A1 LYS 113 HE2 -0.05 -0.01 -0.05 -0.04 2.99 2.83 2jz4A1 LYS 113 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2jz4A1 LYS 114 H -0.04 0.30 0.42 -0.55 8.42 8.54 2jz4A1 LYS 114 HA 0.02 0.06 0.77 -0.75 4.32 4.41 2jz4A1 LYS 114 HB2 -0.13 0.09 0.12 -0.04 1.87 1.91 2jz4A1 LYS 114 HB3 -0.11 0.08 -0.33 -0.04 1.79 1.38 2jz4A1 LYS 114 HG2 -0.01 0.03 0.02 -0.04 1.46 1.46 2jz4A1 LYS 114 HG3 -0.01 -0.05 -0.23 -0.04 1.46 1.12 2jz4A1 LYS 114 HD2 -0.05 0.17 -0.02 -0.04 1.69 1.74 2jz4A1 LYS 114 HD3 -0.02 -0.09 -0.05 -0.04 1.68 1.48 2jz4A1 LYS 114 HE2 -0.05 -0.06 -0.08 -0.04 2.99 2.75 2jz4A1 LYS 114 HE3 -0.08 -0.01 -0.10 -0.04 2.99 2.76 2jz4A1 PHE 115 H -0.27 0.68 0.44 -0.55 8.34 8.64 2jz4A1 PHE 115 HA 0.08 0.12 0.75 -0.75 4.62 4.82 2jz4A1 PHE 115 HB2 0.09 -0.03 0.16 -0.04 3.15 3.33 2jz4A1 PHE 115 HB3 0.13 0.04 -0.02 -0.04 3.06 3.17 2jz4A1 PHE 115 HD2 0.16 -0.04 -0.19 -0.04 7.28 7.17 2jz4A1 PHE 115 HE2 0.00 0.07 -0.03 -0.04 7.38 7.38 2jz4A1 PHE 115 HZ -0.01 0.17 0.06 -0.04 7.32 7.50 2jz4A1 VAL 116 H 0.26 0.23 0.23 -0.55 8.24 8.41 2jz4A1 VAL 116 HA 0.07 0.19 1.00 -0.75 4.13 4.64 2jz4A1 VAL 116 HB 0.04 0.03 -0.20 -0.04 2.12 1.96 2jz4A1 VAL 116 HG13 0.09 -0.01 -0.00 -0.04 0.97 1.01 2jz4A1 VAL 116 HG23 0.04 0.01 0.00 -0.04 0.95 0.96 2jz4A1 LEU 117 H 0.16 0.45 0.25 -0.55 8.37 8.69 2jz4A1 LEU 117 HA 0.25 0.12 0.91 -0.75 4.35 4.87 2jz4A1 LEU 117 HB2 0.57 0.03 0.06 -0.04 1.64 2.26 2jz4A1 LEU 117 HB3 0.35 0.01 -0.14 -0.04 1.64 1.82 2jz4A1 LEU 117 HG 0.38 0.01 0.00 -0.04 1.64 1.99 2jz4A1 LEU 117 HD13 0.13 0.01 0.01 -0.04 0.93 1.04 2jz4A1 LEU 117 HD23 0.25 0.04 -0.03 -0.04 0.89 1.11 2jz4A1 LYS 118 H 0.09 0.29 0.24 -0.55 8.42 8.48 2jz4A1 LYS 118 HA 0.04 0.29 0.78 -0.75 4.32 4.67 2jz4A1 LYS 118 HB2 0.00 -0.05 -0.10 -0.04 1.87 1.69 2jz4A1 LYS 118 HB3 0.02 0.14 0.13 -0.04 1.79 2.03 2jz4A1 LYS 118 HG2 0.05 0.03 -0.07 -0.04 1.46 1.42 2jz4A1 LYS 118 HG3 0.08 0.03 -0.17 -0.04 1.46 1.35 2jz4A1 LYS 118 HD2 0.06 0.03 -0.16 -0.04 1.69 1.57 2jz4A1 LYS 118 HD3 0.08 -0.11 -0.33 -0.04 1.68 1.28 2jz4A1 LYS 118 HE2 0.04 -0.01 -0.10 -0.04 2.99 2.88 2jz4A1 LYS 118 HE3 0.04 0.03 -0.09 -0.04 2.99 2.93 2jz4A1 ASP 119 H -0.16 0.61 0.27 -0.55 8.40 8.57 2jz4A1 ASP 119 HA -0.40 0.04 0.92 -0.75 4.63 4.43 2jz4A1 ASP 119 HB2 -0.85 0.01 -0.09 -0.04 2.71 1.74 2jz4A1 ASP 119 HB3 -0.20 0.14 0.11 -0.04 2.70 2.72 2jz4A1 LYS 120 H -0.11 0.02 0.24 -0.55 8.42 8.01 2jz4A1 LYS 120 HA -0.02 0.24 0.79 -0.75 4.32 4.57 2jz4A1 LYS 120 HB2 -0.01 -0.03 0.06 -0.04 1.87 1.85 2jz4A1 LYS 120 HB3 0.00 0.05 0.06 -0.04 1.79 1.86 2jz4A1 LYS 120 HG2 0.01 0.09 -0.04 -0.04 1.46 1.49 2jz4A1 LYS 120 HG3 -0.01 -0.04 -0.24 -0.04 1.46 1.13 2jz4A1 LYS 120 HD2 0.03 0.02 -0.07 -0.04 1.69 1.63 2jz4A1 LYS 120 HD3 0.03 -0.05 -0.04 -0.04 1.68 1.58 2jz4A1 LYS 120 HE2 0.03 -0.01 -0.00 -0.04 2.99 2.96 2jz4A1 LYS 120 HE3 0.03 0.04 0.00 -0.04 2.99 3.02 2jz4A1 ASN 121 H -0.06 -0.07 0.21 -0.55 8.53 8.07 2jz4A1 ASN 121 HA -0.01 0.14 0.40 -0.75 4.76 4.54 2jz4A1 ASN 121 HB2 -0.00 0.07 0.16 -0.04 2.88 3.07 2jz4A1 ASN 121 HB3 -0.01 -0.02 0.18 -0.04 2.79 2.91 2jz4A1 ASN 121 HD21 -0.08 -0.09 0.17 -0.04 7.03 6.99 2jz4A1 ASN 121 HD22 -0.06 0.04 0.08 -0.04 7.74 7.76 2jz4A1 GLY 122 H -0.06 -0.06 -0.31 -0.55 8.43 7.46 2jz4A1 GLY 122 HA2 -0.06 0.06 0.22 -0.51 4.01 3.72 2jz4A1 GLY 122 HA3 -0.04 0.17 0.71 -0.51 4.01 4.34 2jz4A1 GLY 123 H -0.04 -0.11 0.03 -0.55 8.43 7.76 2jz4A1 GLY 123 HA2 0.01 0.09 0.48 -0.51 4.01 4.08 2jz4A1 GLY 123 HA3 0.04 0.00 0.40 -0.51 4.01 3.94 2jz4A1 LYS 124 H 0.06 0.18 0.24 -0.55 8.42 8.34 2jz4A1 LYS 124 HA 0.04 0.12 0.78 -0.75 4.32 4.51 2jz4A1 LYS 124 HB2 -0.12 0.07 -0.06 -0.04 1.87 1.72 2jz4A1 LYS 124 HB3 -0.02 -0.02 0.09 -0.04 1.79 1.80 2jz4A1 LYS 124 HG2 0.09 0.26 -0.04 -0.04 1.46 1.73 2jz4A1 LYS 124 HG3 0.03 -0.11 0.08 -0.04 1.46 1.42 2jz4A1 LYS 124 HD2 -0.12 -0.02 -0.00 -0.04 1.69 1.51 2jz4A1 LYS 124 HD3 -0.03 0.03 -0.00 -0.04 1.68 1.64 2jz4A1 LYS 124 HE2 -1.42 -0.04 -0.02 -0.04 2.99 1.47 2jz4A1 LYS 124 HE3 -0.45 0.03 -0.02 -0.04 2.99 2.50 2jz4A1 LEU 125 H 0.18 0.10 0.12 -0.55 8.37 8.22 2jz4A1 LEU 125 HA 0.23 0.13 0.53 -0.75 4.35 4.50 2jz4A1 LEU 125 HB2 0.24 0.19 0.17 -0.04 1.64 2.20 2jz4A1 LEU 125 HB3 0.17 -0.11 0.12 -0.04 1.64 1.79 2jz4A1 LEU 125 HG 0.12 -0.06 0.16 -0.04 1.64 1.82 2jz4A1 LEU 125 HD13 0.16 -0.01 -0.01 -0.04 0.93 1.03 2jz4A1 LEU 125 HD23 0.09 0.01 -0.24 -0.04 0.89 0.71 2jz4A1 VAL 126 H 0.10 0.06 0.22 -0.55 8.24 8.07 2jz4A1 VAL 126 HA 0.06 0.20 0.83 -0.75 4.13 4.47 2jz4A1 VAL 126 HB 0.07 -0.05 -0.02 -0.04 2.12 2.08 2jz4A1 VAL 126 HG13 0.03 0.00 -0.01 -0.04 0.97 0.94 2jz4A1 VAL 126 HG23 0.08 0.04 -0.19 -0.04 0.95 0.84 2jz4A1 GLY 127 H 0.02 0.10 0.21 -0.55 8.43 8.21 2jz4A1 GLY 127 HA2 -0.14 0.09 0.38 -0.51 4.01 3.82 2jz4A1 GLY 127 HA3 -0.21 0.09 0.37 -0.51 4.01 3.75 2jz4A1 PHE 128 H -0.62 0.25 0.19 -0.55 8.34 7.61 2jz4A1 PHE 128 HA -0.14 0.22 1.01 -0.75 4.62 4.96 2jz4A1 PHE 128 HB2 -0.09 0.08 0.17 -0.04 3.15 3.26 2jz4A1 PHE 128 HB3 -0.06 -0.00 -0.08 -0.04 3.06 2.87 2jz4A1 PHE 128 HD2 -0.07 -0.03 -0.32 -0.04 7.28 6.82 2jz4A1 PHE 128 HE2 -0.20 0.09 -0.04 -0.04 7.38 7.19 2jz4A1 PHE 128 HZ -0.85 -0.02 -0.02 -0.04 7.32 6.38 2jz4A1 HIS 129 H -0.05 0.70 0.28 -0.55 8.41 8.79 2jz4A1 HIS 129 HA 0.19 -0.03 0.67 -0.75 4.63 4.70 2jz4A1 HIS 129 HB2 0.00 -0.07 0.04 -0.04 3.26 3.19 2jz4A1 HIS 129 HB3 -0.49 0.08 -0.18 -0.04 3.20 2.57 2jz4A1 HIS 129 HD2 -1.25 -0.10 -0.45 -0.04 6.97 5.12 2jz4A1 HIS 129 HE1 -0.05 0.07 -0.63 -0.04 7.75 7.09 2jz4A1 GLY 130 H 0.43 -0.10 0.03 -0.55 8.43 8.25 2jz4A1 GLY 130 HA2 0.17 -0.00 0.16 -0.51 4.01 3.83 2jz4A1 GLY 130 HA3 0.11 0.30 0.36 -0.51 4.01 4.27 2jz4A1 ARG 131 H 0.17 0.17 0.05 -0.55 8.46 8.30 2jz4A1 ARG 131 HA 0.48 -0.25 0.35 -0.75 4.34 4.17 2jz4A1 ARG 131 HB2 0.08 0.11 0.11 -0.04 1.90 2.17 2jz4A1 ARG 131 HB3 0.15 0.03 -0.09 -0.04 1.80 1.85 2jz4A1 ARG 131 HG2 -0.06 0.11 0.09 -0.04 1.67 1.77 2jz4A1 ARG 131 HG3 -0.20 -0.14 0.10 -0.04 1.67 1.39 2jz4A1 ARG 131 HD2 -0.15 0.10 0.06 -0.04 3.22 3.19 2jz4A1 ARG 131 HD3 -0.15 -0.02 0.07 -0.04 3.22 3.07 2jz4A1 ALA 132 H 0.25 0.16 0.01 -0.55 8.40 8.28 2jz4A1 ALA 132 HA 0.26 0.08 0.61 -0.75 4.34 4.54 2jz4A1 ALA 132 HB3 0.05 0.08 -0.16 -0.04 1.41 1.34 2jz4A1 GLY 133 H 0.04 0.40 -0.17 -0.55 8.43 8.16 2jz4A1 GLY 133 HA2 0.04 0.11 0.28 -0.51 4.01 3.93 2jz4A1 GLY 133 HA3 0.14 0.01 0.56 -0.51 4.01 4.22 2jz4A1 GLU 134 H 0.15 0.18 0.14 -0.55 8.60 8.53 2jz4A1 GLU 134 HA 0.05 0.03 0.49 -0.75 4.29 4.11 2jz4A1 GLU 134 HB2 0.12 -0.00 0.13 -0.04 2.09 2.30 2jz4A1 GLU 134 HB3 0.05 0.04 0.04 -0.04 1.99 2.07 2jz4A1 GLU 134 HG2 0.09 -0.04 0.12 -0.04 2.34 2.46 2jz4A1 GLU 134 HG3 0.07 0.03 0.06 -0.04 2.34 2.47 2jz4A1 ALA 135 H -0.26 0.07 -0.06 -0.55 8.40 7.61 2jz4A1 ALA 135 HA -0.19 0.35 0.81 -0.75 4.34 4.56 2jz4A1 ALA 135 HB3 -0.42 0.01 -0.12 -0.04 1.41 0.84 2jz4A1 LEU 136 H -0.21 0.61 0.12 -0.55 8.37 8.35 2jz4A1 LEU 136 HA -0.15 0.04 0.72 -0.75 4.35 4.21 2jz4A1 LEU 136 HB2 -0.07 0.03 -0.02 -0.04 1.64 1.54 2jz4A1 LEU 136 HB3 -0.07 -0.03 0.16 -0.04 1.64 1.66 2jz4A1 LEU 136 HG -0.02 -0.01 -0.32 -0.04 1.64 1.24 2jz4A1 LEU 136 HD13 -0.04 0.01 -0.07 -0.04 0.93 0.79 2jz4A1 LEU 136 HD23 -0.03 -0.01 -0.12 -0.04 0.89 0.69 2jz4A1 TYR 137 H -0.11 0.23 0.13 -0.55 8.29 7.99 2jz4A1 TYR 137 HA 0.03 0.13 0.62 -0.75 4.56 4.59 2jz4A1 TYR 137 HB2 0.03 0.20 -0.11 -0.04 3.06 3.14 2jz4A1 TYR 137 HB3 0.02 -0.06 -0.25 -0.04 2.98 2.64 2jz4A1 TYR 137 HD2 0.04 0.14 -0.36 -0.04 7.15 6.93 2jz4A1 TYR 137 HE2 0.03 -0.02 -0.24 -0.04 6.85 6.58 2jz4A1 ALA 138 H 0.13 0.38 -0.01 -0.55 8.40 8.36 2jz4A1 ALA 138 HA 0.09 0.18 0.50 -0.75 4.34 4.36 2jz4A1 ALA 138 HB3 0.07 -0.03 -0.34 -0.04 1.41 1.06 2jz4A1 LEU 139 H 0.12 0.35 0.09 -0.55 8.37 8.39 2jz4A1 LEU 139 HA -0.03 0.25 0.69 -0.75 4.35 4.51 2jz4A1 LEU 139 HB2 -0.01 0.03 -0.26 -0.04 1.64 1.36 2jz4A1 LEU 139 HB3 0.01 -0.02 -0.09 -0.04 1.64 1.50 2jz4A1 LEU 139 HG -0.00 -0.04 -0.03 -0.04 1.64 1.53 2jz4A1 LEU 139 HD13 -0.07 0.03 0.04 -0.04 0.93 0.89 2jz4A1 LEU 139 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 2jz4A1 GLY 140 H -0.18 0.28 0.23 -0.55 8.43 8.22 2jz4A1 GLY 140 HA2 -0.12 0.04 0.26 -0.51 4.01 3.68 2jz4A1 GLY 140 HA3 -0.95 0.07 0.31 -0.51 4.01 2.93 2jz4A1 ALA 141 H -0.18 0.31 0.09 -0.55 8.40 8.07 2jz4A1 ALA 141 HA -0.13 0.04 0.70 -0.75 4.34 4.20 2jz4A1 ALA 141 HB3 -0.00 0.02 0.05 -0.04 1.41 1.44 2jz4A1 TYR 142 H -0.06 0.09 0.01 -0.55 8.29 7.78 2jz4A1 TYR 142 HA -0.31 0.09 0.64 -0.75 4.56 4.23 2jz4A1 TYR 142 HB2 -0.02 -0.03 -0.01 -0.04 3.06 2.96 2jz4A1 TYR 142 HB3 -0.06 0.14 0.12 -0.04 2.98 3.13 2jz4A1 TYR 142 HD2 -0.10 0.00 -0.09 -0.04 7.15 6.92 2jz4A1 TYR 142 HE2 -0.37 0.12 -0.07 -0.04 6.85 6.48 2jz4A1 PHE 143 H 0.09 0.35 0.18 -0.55 8.34 8.42 2jz4A1 PHE 143 HA 0.10 0.19 0.73 -0.75 4.62 4.88 2jz4A1 PHE 143 HB2 0.08 0.06 -0.10 -0.04 3.15 3.15 2jz4A1 PHE 143 HB3 0.07 -0.07 -0.04 -0.04 3.06 2.98 2jz4A1 PHE 143 HD2 0.10 0.00 -0.21 -0.04 7.28 7.13 2jz4A1 PHE 143 HE2 0.12 -0.02 -0.17 -0.04 7.38 7.28 2jz4A1 PHE 143 HZ 0.13 -0.06 -0.33 -0.04 7.32 7.02 2jz4A1 ALA 144 H 0.21 0.09 0.12 -0.55 8.40 8.28 2jz4A1 ALA 144 HA 0.08 0.14 0.73 -0.75 4.34 4.54 2jz4A1 ALA 144 HB3 0.05 -0.02 0.14 -0.04 1.41 1.55 2jz4A1 THR 145 H 0.05 0.32 0.24 -0.55 8.28 8.34 2jz4A1 THR 145 HA 0.04 0.09 0.75 -0.75 4.39 4.52 2jz4A1 THR 145 HB 0.10 -0.00 -0.25 -0.04 4.32 4.13 2jz4A1 THR 145 HG23 0.03 0.07 -0.07 -0.04 1.22 1.21 2jz4A1 THR 146 H 0.02 0.10 0.14 -0.55 8.28 8.00 2jz4A1 THR 146 HA 0.01 0.21 0.85 -0.75 4.39 4.70 2jz4A1 THR 146 HB 0.00 0.01 0.10 -0.04 4.32 4.39 2jz4A1 THR 146 HG23 0.00 0.01 -0.18 -0.04 1.22 1.02 2jz4A1 THR 147 H -0.00 0.20 0.13 -0.55 8.28 8.06 2jz4A1 THR 147 HA -0.00 0.18 0.90 -0.75 4.39 4.71 2jz4A1 THR 147 HB -0.01 0.05 -0.03 -0.04 4.32 4.29 2jz4A1 THR 147 HG23 -0.01 -0.01 0.08 -0.04 1.22 1.24 2jz4A1 THR 148 H -0.00 0.31 0.16 -0.55 8.28 8.19 2jz4A1 THR 148 HA -0.00 0.13 0.65 -0.75 4.39 4.41 2jz4A1 THR 148 HB -0.00 0.08 0.08 -0.04 4.32 4.44 2jz4A1 THR 148 HG23 -0.00 -0.03 -0.18 -0.04 1.22 0.97 2jz4A1 PRO 149 HA -0.01 0.07 0.54 -0.51 4.44 4.53 2jz4A1 PRO 149 HB2 -0.01 0.09 0.13 -0.04 2.28 2.45 2jz4A1 PRO 149 HB3 -0.01 -0.02 0.11 -0.04 2.02 2.07 2jz4A1 PRO 149 HG2 -0.01 0.12 -0.09 -0.04 2.03 2.00 2jz4A1 PRO 149 HG3 -0.01 0.01 0.05 -0.04 2.03 2.04 2jz4A1 PRO 149 HD2 -0.01 0.09 0.18 -0.04 3.68 3.90 2jz4A1 PRO 149 HD3 -0.01 0.11 0.15 -0.04 3.65 3.86 2jz4A1 VAL 150 H -0.01 0.05 0.16 -0.55 8.24 7.89 2jz4A1 VAL 150 HA -0.00 0.08 0.56 -0.75 4.13 4.01 2jz4A1 VAL 150 HB -0.01 -0.04 0.11 -0.04 2.12 2.14 2jz4A1 VAL 150 HG13 -0.01 0.01 -0.04 -0.04 0.97 0.90 2jz4A1 VAL 150 HG23 -0.01 0.00 0.07 -0.04 0.95 0.97 2jz4A1 THR 151 H 0.00 0.17 0.21 -0.55 8.28 8.11 2jz4A1 THR 151 HA -0.01 0.13 0.79 -0.75 4.39 4.55 2jz4A1 THR 151 HB -0.01 0.06 0.03 -0.04 4.32 4.36 2jz4A1 THR 151 HG23 -0.01 0.02 -0.21 -0.04 1.22 0.98 2jz4A1 PRO 152 HA -0.01 0.08 0.44 -0.51 4.44 4.44 2jz4A1 PRO 152 HB2 -0.04 0.01 0.13 -0.04 2.28 2.33 2jz4A1 PRO 152 HB3 -0.02 -0.00 0.09 -0.04 2.02 2.04 2jz4A1 PRO 152 HG2 -0.05 0.12 -0.07 -0.04 2.03 2.00 2jz4A1 PRO 152 HG3 -0.03 0.01 0.04 -0.04 2.03 2.00 2jz4A1 PRO 152 HD2 -0.02 0.10 0.15 -0.04 3.68 3.86 2jz4A1 PRO 152 HD3 -0.02 0.12 0.15 -0.04 3.65 3.86 2jz4A1 ALA 153 H -0.04 0.04 0.12 -0.55 8.40 7.98 2jz4A1 ALA 153 HA -0.01 0.11 0.49 -0.75 4.34 4.18 2jz4A1 ALA 153 HB3 -0.06 0.00 0.03 -0.04 1.41 1.34 2jz4A1 LYS 154 H -0.07 0.27 0.27 -0.55 8.42 8.34 2jz4A1 LYS 154 HA -0.12 0.07 0.62 -0.75 4.32 4.14 2jz4A1 LYS 154 HB2 -0.09 0.02 0.14 -0.04 1.87 1.91 2jz4A1 LYS 154 HB3 -0.13 -0.08 0.09 -0.04 1.79 1.64 2jz4A1 LYS 154 HG2 -0.09 -0.05 0.00 -0.04 1.46 1.28 2jz4A1 LYS 154 HG3 -0.10 0.20 0.06 -0.04 1.46 1.58 2jz4A1 LYS 154 HD2 -0.06 -0.01 0.04 -0.04 1.69 1.62 2jz4A1 LYS 154 HD3 -0.07 0.02 0.04 -0.04 1.68 1.63 2jz4A1 LYS 154 HE2 -0.05 -0.03 0.01 -0.04 2.99 2.88 2jz4A1 LYS 154 HE3 -0.03 -0.02 0.01 -0.04 2.99 2.91 2jz4A1 LYS 155 H -0.18 0.13 0.20 -0.55 8.42 8.01 2jz4A1 LYS 155 HA -0.53 0.09 0.72 -0.75 4.32 3.84 2jz4A1 LYS 155 HB2 -0.24 0.00 0.12 -0.04 1.87 1.71 2jz4A1 LYS 155 HB3 -0.19 0.05 0.03 -0.04 1.79 1.64 2jz4A1 LYS 155 HG2 -0.28 0.00 0.08 -0.04 1.46 1.22 2jz4A1 LYS 155 HG3 -0.38 -0.01 0.00 -0.04 1.46 1.04 2jz4A1 LYS 155 HD2 -0.14 0.02 -0.00 -0.04 1.69 1.52 2jz4A1 LYS 155 HD3 -0.13 -0.05 -0.01 -0.04 1.68 1.44 2jz4A1 LYS 155 HE2 -0.11 -0.00 -0.02 -0.04 2.99 2.81 2jz4A1 LYS 155 HE3 -0.13 0.02 -0.00 -0.04 2.99 2.83 2jz4A1 LEU 156 H -0.14 0.12 0.13 -0.55 8.37 7.93 2jz4A1 LEU 156 HA -0.02 0.19 0.78 -0.75 4.35 4.54 2jz4A1 LEU 156 HB2 0.19 0.13 0.11 -0.04 1.64 2.03 2jz4A1 LEU 156 HB3 0.08 -0.09 0.16 -0.04 1.64 1.75 2jz4A1 LEU 156 HG 0.08 -0.00 -0.18 -0.04 1.64 1.49 2jz4A1 LEU 156 HD13 0.09 -0.01 -0.20 -0.04 0.93 0.76 2jz4A1 LEU 156 HD23 -0.02 0.04 -0.14 -0.04 0.89 0.73 2jz4A1 SER 157 H 0.08 0.30 0.12 -0.55 8.46 8.41 2jz4A1 SER 157 HA 0.16 0.04 0.62 -0.75 4.49 4.55 2jz4A1 SER 157 HB2 0.02 -0.01 0.08 -0.04 3.95 4.00 2jz4A1 SER 157 HB3 0.02 0.06 0.06 -0.04 3.93 4.04 2jz4A1 ALA 158 H 0.08 0.09 0.03 -0.55 8.40 8.06 2jz4A1 ALA 158 HA -0.02 0.19 0.73 -0.75 4.34 4.48 2jz4A1 ALA 158 HB3 -0.12 -0.01 0.03 -0.04 1.41 1.27 2jz4A1 ILE 159 H -0.24 0.38 0.19 -0.55 8.25 8.03 2jz4A1 ILE 159 HA -0.13 0.08 0.54 -0.75 4.18 3.92 2jz4A1 ILE 159 HB -0.12 0.10 -0.20 -0.04 1.89 1.63 2jz4A1 ILE 159 HG12 -0.27 -0.00 -0.06 -0.04 1.49 1.12 2jz4A1 ILE 159 HG13 -0.12 -0.01 0.07 -0.04 1.21 1.11 2jz4A1 ILE 159 HG23 -0.41 0.01 -0.10 -0.04 0.93 0.39 2jz4A1 ILE 159 HD13 -0.07 0.01 -0.04 -0.04 0.88 0.75 2jz4A1 GLY 160 H -0.16 0.10 0.04 -0.55 8.43 7.87 2jz4A1 GLY 160 HA2 -0.25 0.04 0.34 -0.51 4.01 3.63 2jz4A1 GLY 160 HA3 -0.12 0.21 0.51 -0.51 4.01 4.11 2jz4A1 GLY 161 H -0.05 0.21 0.04 -0.55 8.43 8.08 2jz4A1 GLY 161 HA2 -0.00 0.05 0.37 -0.51 4.01 3.92 2jz4A1 GLY 161 HA3 0.04 0.11 0.37 -0.51 4.01 4.02 2jz4A1 ASP 162 H -0.05 0.12 0.15 -0.55 8.40 8.07 2jz4A1 ASP 162 HA -0.04 0.22 0.74 -0.75 4.63 4.79 2jz4A1 ASP 162 HB2 -0.03 0.04 0.14 -0.04 2.71 2.82 2jz4A1 ASP 162 HB3 -0.03 0.03 -0.02 -0.04 2.70 2.63 2jz4A1 GLU 163 H -0.13 0.06 0.03 -0.55 8.60 8.01 2jz4A1 GLU 163 HA -0.06 0.20 0.89 -0.75 4.29 4.56 2jz4A1 GLU 163 HB2 -0.15 -0.05 0.06 -0.04 2.09 1.91 2jz4A1 GLU 163 HB3 -0.09 0.02 -0.01 -0.04 1.99 1.87 2jz4A1 GLU 163 HG2 -0.06 -0.11 -0.25 -0.04 2.34 1.88 2jz4A1 GLU 163 HG3 -0.05 0.01 -0.06 -0.04 2.34 2.21 2jz4A1 GLY 164 H -0.04 0.19 0.07 -0.55 8.43 8.10 2jz4A1 GLY 164 HA2 -0.02 -0.01 0.25 -0.51 4.01 3.72 2jz4A1 GLY 164 HA3 -0.02 0.10 0.49 -0.51 4.01 4.07 2jz4A1 THR 165 H 0.06 0.10 -0.03 -0.55 8.28 7.86 2jz4A1 THR 165 HA 0.07 0.02 0.44 -0.75 4.39 4.17 2jz4A1 THR 165 HB 0.15 0.24 0.18 -0.04 4.32 4.86 2jz4A1 THR 165 HG23 0.11 0.05 0.05 -0.04 1.22 1.38 2jz4A1 ALA 166 H 0.07 0.11 0.24 -0.55 8.40 8.27 2jz4A1 ALA 166 HA 0.01 0.24 0.87 -0.75 4.34 4.70 2jz4A1 ALA 166 HB3 -0.02 -0.01 0.15 -0.04 1.41 1.48 2jz4A1 TRP 167 H -0.36 0.31 0.08 -0.55 7.97 7.45 2jz4A1 TRP 167 HA -0.03 0.21 0.69 -0.75 4.62 4.72 2jz4A1 TRP 167 HB2 -0.17 0.00 0.06 -0.04 3.23 3.09 2jz4A1 TRP 167 HB3 0.15 0.10 -0.17 -0.04 3.23 3.26 2jz4A1 TRP 167 HD1 0.07 0.12 -0.06 -0.04 7.22 7.32 2jz4A1 TRP 167 HE1 0.02 0.05 -0.56 -0.04 10.20 9.66 2jz4A1 TRP 167 HE3 -0.09 0.03 -0.02 -0.04 7.59 7.46 2jz4A1 TRP 167 HZ2 -0.18 0.06 -0.16 -0.04 7.44 7.12 2jz4A1 TRP 167 HZ3 0.04 -0.02 -0.10 -0.04 7.13 7.01 2jz4A1 TRP 167 HH2 -0.57 0.00 -0.13 -0.04 7.19 6.45 2jz4A1 ASP 168 H -0.19 0.13 -0.11 -0.55 8.40 7.69 2jz4A1 ASP 168 HA -0.49 0.02 0.55 -0.75 4.63 3.95 2jz4A1 ASP 168 HB2 -0.12 0.06 0.11 -0.04 2.71 2.72 2jz4A1 ASP 168 HB3 -0.20 -0.11 0.20 -0.04 2.70 2.56 2jz4A1 ASP 169 H -0.33 0.23 0.26 -0.55 8.40 8.01 2jz4A1 ASP 169 HA -0.13 0.12 0.49 -0.75 4.63 4.37 2jz4A1 ASP 169 HB2 -0.85 0.00 0.05 -0.04 2.71 1.87 2jz4A1 ASP 169 HB3 -0.28 0.08 0.08 -0.04 2.70 2.53 2jz4A1 GLY 170 H -0.21 0.26 -0.17 -0.55 8.43 7.76 2jz4A1 GLY 170 HA2 0.14 -0.00 0.22 -0.51 4.01 3.86 2jz4A1 GLY 170 HA3 0.01 0.14 0.46 -0.51 4.01 4.10 2jz4A1 ALA 171 H -0.08 0.68 0.03 -0.55 8.40 8.48 2jz4A1 ALA 171 HA -0.15 0.07 0.05 -0.75 4.34 3.55 2jz4A1 ALA 171 HB3 0.02 0.04 -0.11 -0.04 1.41 1.31 2jz4A1 TYR 172 H -0.06 0.55 0.20 -0.55 8.29 8.44 2jz4A1 TYR 172 HA -0.12 0.13 0.77 -0.75 4.56 4.59 2jz4A1 TYR 172 HB2 -0.36 0.11 0.05 -0.04 3.06 2.82 2jz4A1 TYR 172 HB3 -0.48 -0.09 0.08 -0.04 2.98 2.45 2jz4A1 TYR 172 HD2 -0.60 0.15 -0.07 -0.04 7.15 6.59 2jz4A1 TYR 172 HE2 -0.20 0.03 -0.04 -0.04 6.85 6.61 2jz4A1 ASP 173 H 0.06 0.10 0.13 -0.55 8.40 8.15 2jz4A1 ASP 173 HA 0.05 0.07 0.31 -0.75 4.63 4.31 2jz4A1 ASP 173 HB2 0.09 -0.04 0.15 -0.04 2.71 2.87 2jz4A1 ASP 173 HB3 0.01 0.08 0.07 -0.04 2.70 2.81 2jz4A1 GLY 174 H 0.04 0.13 -0.28 -0.55 8.43 7.78 2jz4A1 GLY 174 HA2 0.14 0.12 0.29 -0.51 4.01 4.05 2jz4A1 GLY 174 HA3 -0.24 0.09 0.47 -0.51 4.01 3.82 2jz4A1 VAL 175 H 0.11 0.29 0.14 -0.55 8.24 8.23 2jz4A1 VAL 175 HA 0.14 0.21 0.96 -0.75 4.13 4.69 2jz4A1 VAL 175 HB 0.20 -0.00 0.02 -0.04 2.12 2.30 2jz4A1 VAL 175 HG13 0.02 0.01 -0.19 -0.04 0.97 0.77 2jz4A1 VAL 175 HG23 0.18 0.01 0.05 -0.04 0.95 1.15 2jz4A1 LYS 176 H 0.12 0.62 0.31 -0.55 8.42 8.91 2jz4A1 LYS 176 HA 0.00 0.20 0.98 -0.75 4.32 4.74 2jz4A1 LYS 176 HB2 0.05 -0.03 -0.13 -0.04 1.87 1.72 2jz4A1 LYS 176 HB3 0.00 0.01 -0.01 -0.04 1.79 1.75 2jz4A1 LYS 176 HG2 -0.04 -0.09 -0.21 -0.04 1.46 1.09 2jz4A1 LYS 176 HG3 -0.04 -0.01 -0.10 -0.04 1.46 1.27 2jz4A1 LYS 176 HD2 -0.14 0.13 -0.05 -0.04 1.69 1.59 2jz4A1 LYS 176 HD3 -0.19 0.01 -0.07 -0.04 1.68 1.39 2jz4A1 LYS 176 HE2 -0.04 -0.00 -0.01 -0.04 2.99 2.89 2jz4A1 LYS 176 HE3 -0.02 0.00 0.06 -0.04 2.99 2.99 2jz4A1 LYS 177 H 0.09 0.25 0.31 -0.55 8.42 8.51 2jz4A1 LYS 177 HA -0.12 0.14 0.81 -0.75 4.32 4.40 2jz4A1 LYS 177 HB2 0.07 -0.07 -0.01 -0.04 1.87 1.82 2jz4A1 LYS 177 HB3 -0.19 0.06 -0.02 -0.04 1.79 1.59 2jz4A1 LYS 177 HG2 -0.08 0.02 0.06 -0.04 1.46 1.43 2jz4A1 LYS 177 HG3 -0.01 0.00 -0.43 -0.04 1.46 0.99 2jz4A1 LYS 177 HD2 0.01 0.02 -0.07 -0.04 1.69 1.61 2jz4A1 LYS 177 HD3 0.06 -0.03 -0.09 -0.04 1.68 1.57 2jz4A1 LYS 177 HE2 0.05 -0.01 -0.09 -0.04 2.99 2.90 2jz4A1 LYS 177 HE3 -0.11 -0.00 -0.08 -0.04 2.99 2.76 2jz4A1 VAL 178 H -0.33 0.55 0.37 -0.55 8.24 8.27 2jz4A1 VAL 178 HA -0.47 0.16 1.04 -0.75 4.13 4.10 2jz4A1 VAL 178 HB -0.31 0.02 0.09 -0.04 2.12 1.88 2jz4A1 VAL 178 HG13 -0.93 0.00 -0.01 -0.04 0.97 -0.00 2jz4A1 VAL 178 HG23 -0.04 0.01 -0.18 -0.04 0.95 0.70 2jz4A1 TYR 179 H -0.39 0.49 0.40 -0.55 8.29 8.24 2jz4A1 TYR 179 HA -0.08 0.21 0.94 -0.75 4.56 4.88 2jz4A1 TYR 179 HB2 -0.15 -0.01 -0.01 -0.04 3.06 2.85 2jz4A1 TYR 179 HB3 0.02 0.04 0.07 -0.04 2.98 3.07 2jz4A1 TYR 179 HD2 -0.10 0.09 -0.23 -0.04 7.15 6.86 2jz4A1 TYR 179 HE2 -0.05 -0.02 -0.19 -0.04 6.85 6.54 2jz4A1 VAL 180 H 0.19 0.53 0.31 -0.55 8.24 8.71 2jz4A1 VAL 180 HA 0.05 0.16 0.90 -0.75 4.13 4.49 2jz4A1 VAL 180 HB -0.08 -0.06 0.07 -0.04 2.12 2.02 2jz4A1 VAL 180 HG13 -0.03 0.00 -0.11 -0.04 0.97 0.79 2jz4A1 VAL 180 HG23 -0.63 0.02 -0.22 -0.04 0.95 0.08 2jz4A1 GLY 181 H 0.01 0.55 0.19 -0.55 8.43 8.64 2jz4A1 GLY 181 HA2 -0.59 0.25 0.97 -0.51 4.01 4.13 2jz4A1 GLY 181 HA3 -0.79 -0.03 0.40 -0.51 4.01 3.08 2jz4A1 GLN 182 H -0.14 0.20 -0.02 -0.55 8.47 7.97 2jz4A1 GLN 182 HA -0.06 0.01 0.64 -0.75 4.36 4.20 2jz4A1 GLN 182 HB2 -0.04 0.03 -0.01 -0.04 2.15 2.08 2jz4A1 GLN 182 HB3 -0.02 0.08 0.04 -0.04 2.02 2.07 2jz4A1 GLN 182 HG2 0.02 -0.01 -0.09 -0.04 2.40 2.28 2jz4A1 GLN 182 HG3 0.03 -0.02 -0.08 -0.04 2.39 2.28 2jz4A1 GLN 182 HE21 0.08 -0.00 -0.04 -0.04 6.97 6.96 2jz4A1 GLN 182 HE22 0.04 0.02 0.00 -0.04 7.69 7.71 2jz4A1 GLY 183 H -0.05 0.41 0.32 -0.55 8.43 8.56 2jz4A1 GLY 183 HA2 -0.07 0.14 0.72 -0.51 4.01 4.29 2jz4A1 GLY 183 HA3 -0.05 -0.03 0.46 -0.51 4.01 3.88 2jz4A1 GLN 184 H -0.03 0.14 0.19 -0.55 8.47 8.21 2jz4A1 GLN 184 HA -0.02 0.22 0.76 -0.75 4.36 4.57 2jz4A1 GLN 184 HB2 -0.02 0.00 0.05 -0.04 2.15 2.14 2jz4A1 GLN 184 HB3 -0.01 0.06 0.14 -0.04 2.02 2.17 2jz4A1 GLN 184 HG2 -0.03 -0.07 0.06 -0.04 2.40 2.32 2jz4A1 GLN 184 HG3 -0.01 0.04 0.03 -0.04 2.39 2.41 2jz4A1 GLN 184 HE21 -0.01 0.03 -0.04 -0.04 6.97 6.90 2jz4A1 GLN 184 HE22 -0.01 0.01 -0.00 -0.04 7.69 7.65 2jz4A1 ASP 185 H -0.03 -0.16 -0.03 -0.55 8.40 7.64 2jz4A1 ASP 185 HA -0.03 0.21 0.68 -0.75 4.63 4.74 2jz4A1 ASP 185 HB2 -0.07 0.05 -0.02 -0.04 2.71 2.63 2jz4A1 ASP 185 HB3 -0.05 0.03 -0.05 -0.04 2.70 2.59 2jz4A1 GLY 186 H -0.03 -0.00 0.08 -0.55 8.43 7.92 2jz4A1 GLY 186 HA2 -0.01 0.11 0.29 -0.51 4.01 3.89 2jz4A1 GLY 186 HA3 -0.02 0.12 0.30 -0.51 4.01 3.89 2jz4A1 ILE 187 H -0.01 0.80 0.34 -0.55 8.25 8.83 2jz4A1 ILE 187 HA -0.03 0.03 0.82 -0.75 4.18 4.25 2jz4A1 ILE 187 HB -0.00 0.10 0.23 -0.04 1.89 2.17 2jz4A1 ILE 187 HG12 0.00 0.05 -0.03 -0.04 1.49 1.47 2jz4A1 ILE 187 HG13 -0.01 0.01 -0.06 -0.04 1.21 1.10 2jz4A1 ILE 187 HG23 0.01 0.01 -0.16 -0.04 0.93 0.75 2jz4A1 ILE 187 HD13 0.00 -0.02 -0.14 -0.04 0.88 0.69 2jz4A1 SER 188 H -0.05 0.32 0.37 -0.55 8.46 8.55 2jz4A1 SER 188 HA -0.04 -0.08 0.96 -0.75 4.49 4.58 2jz4A1 SER 188 HB2 -0.06 0.12 0.13 -0.04 3.95 4.10 2jz4A1 SER 188 HB3 -0.05 0.06 0.19 -0.04 3.93 4.09 2jz4A1 ALA 189 H -0.05 0.33 0.21 -0.55 8.40 8.34 2jz4A1 ALA 189 HA -0.00 0.07 0.71 -0.75 4.34 4.37 2jz4A1 ALA 189 HB3 -0.01 0.02 -0.30 -0.04 1.41 1.08 2jz4A1 VAL 190 H 0.06 0.28 0.06 -0.55 8.24 8.09 2jz4A1 VAL 190 HA 0.21 0.14 0.79 -0.75 4.13 4.51 2jz4A1 VAL 190 HB 0.50 0.05 0.00 -0.04 2.12 2.64 2jz4A1 VAL 190 HG13 0.16 -0.01 -0.24 -0.04 0.97 0.84 2jz4A1 VAL 190 HG23 0.01 0.00 -0.12 -0.04 0.95 0.81 2jz4A1 LYS 191 H 0.15 0.43 0.14 -0.55 8.42 8.58 2jz4A1 LYS 191 HA 0.29 0.19 0.59 -0.75 4.32 4.64 2jz4A1 LYS 191 HB2 -0.02 0.19 -0.23 -0.04 1.87 1.77 2jz4A1 LYS 191 HB3 0.04 -0.02 -0.54 -0.04 1.79 1.23 2jz4A1 LYS 191 HG2 -0.12 -0.07 -0.24 -0.04 1.46 1.00 2jz4A1 LYS 191 HG3 -0.30 0.02 -0.22 -0.04 1.46 0.92 2jz4A1 LYS 191 HD2 -0.48 -0.03 -0.26 -0.04 1.69 0.88 2jz4A1 LYS 191 HD3 -0.86 -0.02 -0.23 -0.04 1.68 0.53 2jz4A1 LYS 191 HE2 -1.27 0.00 -0.14 -0.04 2.99 1.54 2jz4A1 LYS 191 HE3 -1.50 -0.01 -0.17 -0.04 2.99 1.27 2jz4A1 PHE 192 H 0.43 0.26 0.24 -0.55 8.34 8.71 2jz4A1 PHE 192 HA 0.23 0.15 0.95 -0.75 4.62 5.19 2jz4A1 PHE 192 HB2 0.18 -0.02 0.02 -0.04 3.15 3.28 2jz4A1 PHE 192 HB3 0.14 0.08 0.16 -0.04 3.06 3.40 2jz4A1 PHE 192 HD2 0.17 -0.04 -0.20 -0.04 7.28 7.17 2jz4A1 PHE 192 HE2 0.27 -0.02 -0.10 -0.04 7.38 7.49 2jz4A1 PHE 192 HZ 0.43 0.00 -0.08 -0.04 7.32 7.63 2jz4A1 GLU 193 H 0.29 0.57 0.43 -0.55 8.60 9.34 2jz4A1 GLU 193 HA 0.25 0.26 0.93 -0.75 4.29 4.97 2jz4A1 GLU 193 HB2 0.16 -0.12 0.14 -0.04 2.09 2.22 2jz4A1 GLU 193 HB3 0.10 0.10 0.16 -0.04 1.99 2.31 2jz4A1 GLU 193 HG2 0.10 -0.03 0.08 -0.04 2.34 2.44 2jz4A1 GLU 193 HG3 0.27 -0.03 -0.35 -0.04 2.34 2.19 2jz4A1 TYR 194 H 0.06 0.53 0.33 -0.55 8.29 8.66 2jz4A1 TYR 194 HA -0.02 0.03 0.44 -0.75 4.56 4.26 2jz4A1 TYR 194 HB2 -0.04 -0.03 0.02 -0.04 3.06 2.96 2jz4A1 TYR 194 HB3 0.08 0.23 -0.05 -0.04 2.98 3.19 2jz4A1 TYR 194 HD2 -0.05 -0.02 -0.28 -0.04 7.15 6.76 2jz4A1 TYR 194 HE2 -0.31 0.02 -0.08 -0.04 6.85 6.43 2jz4A1 ASN 195 H 0.05 0.23 0.01 -0.55 8.53 8.28 2jz4A1 ASN 195 HA -0.17 0.18 0.86 -0.75 4.76 4.89 2jz4A1 ASN 195 HB2 -0.06 -0.04 0.06 -0.04 2.88 2.80 2jz4A1 ASN 195 HB3 -0.06 0.11 -0.10 -0.04 2.79 2.69 2jz4A1 ASN 195 HD21 -0.07 0.50 -0.03 -0.04 7.03 7.39 2jz4A1 ASN 195 HD22 -0.05 -0.10 -0.06 -0.04 7.74 7.48 2jz4A1 LYS 196 H -0.20 0.19 -0.04 -0.55 8.42 7.82 2jz4A1 LYS 196 HA 0.00 0.17 0.92 -0.75 4.32 4.65 2jz4A1 LYS 196 HB2 -0.00 0.05 0.06 -0.04 1.87 1.94 2jz4A1 LYS 196 HB3 0.02 -0.01 -0.05 -0.04 1.79 1.71 2jz4A1 LYS 196 HG2 -0.24 -0.05 0.05 -0.04 1.46 1.19 2jz4A1 LYS 196 HG3 -0.09 -0.01 -0.01 -0.04 1.46 1.31 2jz4A1 LYS 196 HD2 -0.03 0.04 -0.01 -0.04 1.69 1.65 2jz4A1 LYS 196 HD3 -0.11 0.01 -0.03 -0.04 1.68 1.51 2jz4A1 LYS 196 HE2 -0.06 0.04 -0.01 -0.04 2.99 2.92 2jz4A1 LYS 196 HE3 -0.15 -0.02 -0.02 -0.04 2.99 2.76 2jz4A1 GLY 197 H -0.01 0.23 0.08 -0.55 8.43 8.18 2jz4A1 GLY 197 HA2 -0.02 0.08 0.39 -0.51 4.01 3.95 2jz4A1 GLY 197 HA3 -0.03 0.03 0.46 -0.51 4.01 3.96 2jz4A1 ALA 198 H -0.04 0.16 0.42 -0.55 8.40 8.39 2jz4A1 ALA 198 HA -0.04 0.15 0.56 -0.75 4.34 4.26 2jz4A1 ALA 198 HB3 -0.03 0.00 -0.00 -0.04 1.41 1.34 2jz4A1 GLU 199 H -0.07 0.35 0.25 -0.55 8.60 8.58 2jz4A1 GLU 199 HA -0.07 0.10 0.54 -0.75 4.29 4.10 2jz4A1 GLU 199 HB2 -0.14 -0.03 0.13 -0.04 2.09 2.01 2jz4A1 GLU 199 HB3 -0.12 -0.01 0.06 -0.04 1.99 1.88 2jz4A1 GLU 199 HG2 -0.06 0.02 0.06 -0.04 2.34 2.32 2jz4A1 GLU 199 HG3 -0.06 -0.09 0.14 -0.04 2.34 2.29 2jz4A1 ASN 200 H -0.10 0.22 0.09 -0.55 8.53 8.19 2jz4A1 ASN 200 HA -0.12 0.15 0.79 -0.75 4.76 4.82 2jz4A1 ASN 200 HB2 -0.06 0.06 -0.10 -0.04 2.88 2.74 2jz4A1 ASN 200 HB3 -0.06 -0.02 0.16 -0.04 2.79 2.83 2jz4A1 ASN 200 HD21 -0.03 -0.01 -0.15 -0.04 7.03 6.80 2jz4A1 ASN 200 HD22 -0.06 -0.04 -0.37 -0.04 7.74 7.23 2jz4A1 ILE 201 H -0.28 0.73 0.30 -0.55 8.25 8.44 2jz4A1 ILE 201 HA -0.18 0.10 0.85 -0.75 4.18 4.19 2jz4A1 ILE 201 HB -0.85 -0.05 0.16 -0.04 1.89 1.12 2jz4A1 ILE 201 HG12 -0.70 -0.04 -0.08 -0.04 1.49 0.64 2jz4A1 ILE 201 HG13 -1.13 0.01 -0.06 -0.04 1.21 -0.01 2jz4A1 ILE 201 HG23 -0.16 0.01 -0.12 -0.04 0.93 0.62 2jz4A1 ILE 201 HD13 -0.24 0.01 -0.12 -0.04 0.88 0.48 2jz4A1 VAL 202 H -0.07 0.28 0.19 -0.55 8.24 8.08 2jz4A1 VAL 202 HA -0.00 0.12 0.83 -0.75 4.13 4.32 2jz4A1 VAL 202 HB -0.04 0.01 0.09 -0.04 2.12 2.14 2jz4A1 VAL 202 HG13 -0.04 0.00 -0.09 -0.04 0.97 0.80 2jz4A1 VAL 202 HG23 -0.03 0.02 -0.24 -0.04 0.95 0.66 2jz4A1 GLY 203 H -0.03 0.28 0.10 -0.55 8.43 8.23 2jz4A1 GLY 203 HA2 -0.12 0.02 0.24 -0.51 4.01 3.65 2jz4A1 GLY 203 HA3 -0.03 0.14 0.85 -0.51 4.01 4.46 2jz4A1 GLY 204 H 0.03 0.15 0.13 -0.55 8.43 8.19 2jz4A1 GLY 204 HA2 0.13 0.06 0.25 -0.51 4.01 3.95 2jz4A1 GLY 204 HA3 0.16 0.14 0.78 -0.51 4.01 4.57 2jz4A1 GLU 205 H 0.02 0.01 0.02 -0.55 8.60 8.10 2jz4A1 GLU 205 HA 0.08 0.08 0.54 -0.75 4.29 4.24 2jz4A1 GLU 205 HB2 0.02 -0.03 0.15 -0.04 2.09 2.18 2jz4A1 GLU 205 HB3 0.06 0.09 0.03 -0.04 1.99 2.13 2jz4A1 GLU 205 HG2 0.21 0.00 -0.11 -0.04 2.34 2.40 2jz4A1 GLU 205 HG3 -0.08 -0.05 -0.16 -0.04 2.34 2.01 2jz4A1 HIS 206 H 0.08 0.27 0.24 -0.55 8.41 8.46 2jz4A1 HIS 206 HA -0.03 0.14 0.70 -0.75 4.63 4.68 2jz4A1 HIS 206 HB2 -0.01 0.01 -0.16 -0.04 3.26 3.07 2jz4A1 HIS 206 HB3 -0.19 0.02 0.06 -0.04 3.20 3.04 2jz4A1 HIS 206 HD2 0.03 0.00 -0.00 -0.04 6.97 6.96 2jz4A1 HIS 206 HE1 0.12 0.02 -0.07 -0.04 7.75 7.78 2jz4A1 GLY 207 H -0.03 0.15 0.03 -0.55 8.43 8.03 2jz4A1 GLY 207 HA2 -0.15 0.14 0.53 -0.51 4.01 4.02 2jz4A1 GLY 207 HA3 -0.09 0.06 0.48 -0.51 4.01 3.96 2jz4A1 LYS 208 H -0.06 0.66 0.28 -0.55 8.42 8.74 2jz4A1 LYS 208 HA -0.03 0.11 0.67 -0.75 4.32 4.31 2jz4A1 LYS 208 HB2 -0.04 -0.04 0.17 -0.04 1.87 1.92 2jz4A1 LYS 208 HB3 -0.04 -0.09 0.19 -0.04 1.79 1.81 2jz4A1 LYS 208 HG2 -0.03 -0.12 0.01 -0.04 1.46 1.27 2jz4A1 LYS 208 HG3 -0.03 0.18 -0.06 -0.04 1.46 1.51 2jz4A1 LYS 208 HD2 -0.02 0.07 0.05 -0.04 1.69 1.74 2jz4A1 LYS 208 HD3 -0.03 -0.06 0.04 -0.04 1.68 1.59 2jz4A1 LYS 208 HE2 -0.02 -0.06 0.01 -0.04 2.99 2.87 2jz4A1 LYS 208 HE3 -0.02 0.03 0.01 -0.04 2.99 2.98 2jz4A1 PRO 209 HA -0.14 0.06 0.41 -0.51 4.44 4.26 2jz4A1 PRO 209 HB2 0.00 0.06 -0.01 -0.04 2.28 2.29 2jz4A1 PRO 209 HB3 0.11 -0.02 0.03 -0.04 2.02 2.10 2jz4A1 PRO 209 HG2 0.01 -0.00 -0.02 -0.04 2.03 1.99 2jz4A1 PRO 209 HG3 0.07 0.02 0.03 -0.04 2.03 2.10 2jz4A1 PRO 209 HD2 -0.00 0.06 0.29 -0.04 3.68 3.99 2jz4A1 PRO 209 HD3 0.03 0.22 0.11 -0.04 3.65 3.97 2jz4A1 THR 210 H -0.19 0.28 0.21 -0.55 8.28 8.04 2jz4A1 THR 210 HA -0.05 0.17 0.77 -0.75 4.39 4.53 2jz4A1 THR 210 HB -0.10 0.33 0.19 -0.04 4.32 4.69 2jz4A1 THR 210 HG23 -0.04 -0.06 0.02 -0.04 1.22 1.10 2jz4A1 LEU 211 H -0.03 0.18 0.13 -0.55 8.37 8.11 2jz4A1 LEU 211 HA -0.02 0.11 0.45 -0.75 4.35 4.13 2jz4A1 LEU 211 HB2 -0.01 0.04 0.15 -0.04 1.64 1.78 2jz4A1 LEU 211 HB3 -0.01 0.01 0.12 -0.04 1.64 1.72 2jz4A1 LEU 211 HG -0.02 -0.07 0.06 -0.04 1.64 1.58 2jz4A1 LEU 211 HD13 -0.01 0.02 -0.21 -0.04 0.93 0.69 2jz4A1 LEU 211 HD23 -0.01 0.01 0.01 -0.04 0.89 0.87 2jz4A1 LEU 212 H -0.07 0.03 -0.76 -0.55 8.37 7.03 2jz4A1 LEU 212 HA -0.02 0.08 0.48 -0.75 4.35 4.13 2jz4A1 LEU 212 HB2 -0.06 -0.07 -0.07 -0.04 1.64 1.40 2jz4A1 LEU 212 HB3 -0.08 0.08 -0.09 -0.04 1.64 1.51 2jz4A1 LEU 212 HG -0.02 -0.02 -0.02 -0.04 1.64 1.54 2jz4A1 LEU 212 HD13 -0.02 -0.03 -0.12 -0.04 0.93 0.72 2jz4A1 LEU 212 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.85 2jz4A1 GLY 213 H -0.07 0.20 -0.32 -0.55 8.43 7.69 2jz4A1 GLY 213 HA2 0.03 -0.00 0.25 -0.51 4.01 3.78 2jz4A1 GLY 213 HA3 0.04 0.09 0.58 -0.51 4.01 4.21 2jz4A1 PHE 214 H 0.18 0.28 0.27 -0.55 8.34 8.52 2jz4A1 PHE 214 HA 0.05 0.22 0.82 -0.75 4.62 4.96 2jz4A1 PHE 214 HB2 0.05 -0.06 -0.02 -0.04 3.15 3.08 2jz4A1 PHE 214 HB3 0.14 0.07 -0.02 -0.04 3.06 3.21 2jz4A1 PHE 214 HD2 0.02 -0.03 -0.35 -0.04 7.28 6.87 2jz4A1 PHE 214 HE2 -0.02 -0.03 -0.24 -0.04 7.38 7.05 2jz4A1 PHE 214 HZ -0.03 -0.04 -0.16 -0.04 7.32 7.05 2jz4A1 GLU 215 H 0.29 0.61 0.43 -0.55 8.60 9.38 2jz4A1 GLU 215 HA 0.18 0.16 0.83 -0.75 4.29 4.70 2jz4A1 GLU 215 HB2 0.22 -0.02 0.13 -0.04 2.09 2.39 2jz4A1 GLU 215 HB3 0.36 0.01 0.06 -0.04 1.99 2.38 2jz4A1 GLU 215 HG2 0.14 0.04 0.02 -0.04 2.34 2.50 2jz4A1 GLU 215 HG3 0.13 0.00 -0.33 -0.04 2.34 2.10 2jz4A1 GLU 216 H 0.14 0.23 0.20 -0.55 8.60 8.62 2jz4A1 GLU 216 HA -0.20 0.26 1.04 -0.75 4.29 4.64 2jz4A1 GLU 216 HB2 -0.47 0.04 0.03 -0.04 2.09 1.66 2jz4A1 GLU 216 HB3 0.07 0.02 -0.29 -0.04 1.99 1.75 2jz4A1 GLU 216 HG2 0.01 -0.00 -0.07 -0.04 2.34 2.23 2jz4A1 GLU 216 HG3 0.06 0.01 -0.06 -0.04 2.34 2.31 2jz4A1 PHE 217 H -0.16 0.67 0.30 -0.55 8.34 8.59 2jz4A1 PHE 217 HA -0.05 0.11 0.67 -0.75 4.62 4.60 2jz4A1 PHE 217 HB2 0.12 0.05 -0.11 -0.04 3.15 3.17 2jz4A1 PHE 217 HB3 -0.01 -0.03 -0.00 -0.04 3.06 2.97 2jz4A1 PHE 217 HD2 0.05 -0.04 -0.02 -0.04 7.28 7.22 2jz4A1 PHE 217 HE2 0.03 0.02 -0.09 -0.04 7.38 7.30 2jz4A1 PHE 217 HZ 0.02 -0.02 -0.13 -0.04 7.32 7.14 2jz4A1 GLU 218 H 0.18 0.22 0.06 -0.55 8.60 8.52 2jz4A1 GLU 218 HA -0.19 0.12 0.93 -0.75 4.29 4.40 2jz4A1 GLU 218 HB2 -0.05 -0.04 0.05 -0.04 2.09 2.01 2jz4A1 GLU 218 HB3 0.00 -0.02 0.19 -0.04 1.99 2.12 2jz4A1 GLU 218 HG2 -0.04 -0.02 -0.10 -0.04 2.34 2.14 2jz4A1 GLU 218 HG3 -0.06 0.31 0.17 -0.04 2.34 2.72 2jz4A1 ILE 219 H -0.37 0.17 0.01 -0.55 8.25 7.51 2jz4A1 ILE 219 HA -0.56 0.08 0.65 -0.75 4.18 3.59 2jz4A1 ILE 219 HB -0.48 -0.02 -0.03 -0.04 1.89 1.32 2jz4A1 ILE 219 HG12 -0.80 -0.02 -0.10 -0.04 1.49 0.53 2jz4A1 ILE 219 HG13 -0.18 0.01 -0.13 -0.04 1.21 0.87 2jz4A1 ILE 219 HG23 -0.05 0.03 -0.28 -0.04 0.93 0.59 2jz4A1 ILE 219 HD13 -0.05 -0.02 -0.08 -0.04 0.88 0.69 2jz4A1 ASP 220 H -0.07 0.14 0.08 -0.55 8.40 8.00 2jz4A1 ASP 220 HA 0.03 0.13 0.56 -0.75 4.63 4.59 2jz4A1 ASP 220 HB2 0.03 -0.00 0.19 -0.04 2.71 2.88 2jz4A1 ASP 220 HB3 0.04 -0.07 0.12 -0.04 2.70 2.75 2jz4A1 TYR 221 H 0.14 0.37 0.23 -0.55 8.29 8.48 2jz4A1 TYR 221 HA 0.02 0.07 0.35 -0.75 4.56 4.24 2jz4A1 TYR 221 HB2 0.00 0.20 0.24 -0.04 3.06 3.46 2jz4A1 TYR 221 HB3 0.01 -0.04 0.23 -0.04 2.98 3.14 2jz4A1 TYR 221 HD2 0.02 -0.01 0.02 -0.04 7.15 7.14 2jz4A1 TYR 221 HE2 0.02 -0.02 0.05 -0.04 6.85 6.87 2jz4A1 PRO 222 HA -0.00 0.13 0.42 -0.51 4.44 4.48 2jz4A1 PRO 222 HB2 0.07 0.03 0.04 -0.04 2.28 2.37 2jz4A1 PRO 222 HB3 0.16 0.01 0.09 -0.04 2.02 2.24 2jz4A1 PRO 222 HG2 0.08 0.02 -0.05 -0.04 2.03 2.03 2jz4A1 PRO 222 HG3 0.10 0.03 0.03 -0.04 2.03 2.15 2jz4A1 PRO 222 HD2 0.15 -0.03 -0.00 -0.04 3.68 3.75 2jz4A1 PRO 222 HD3 0.32 0.12 0.14 -0.04 3.65 4.19 2jz4A1 SER 223 H 0.04 0.15 -0.50 -0.55 8.46 7.61 2jz4A1 SER 223 HA 0.04 0.13 0.78 -0.75 4.49 4.68 2jz4A1 SER 223 HB2 0.04 -0.09 0.00 -0.04 3.95 3.86 2jz4A1 SER 223 HB3 0.04 -0.01 0.04 -0.04 3.93 3.96 2jz4A1 GLU 224 H 0.03 0.65 0.20 -0.55 8.60 8.93 2jz4A1 GLU 224 HA 0.12 0.14 0.82 -0.75 4.29 4.61 2jz4A1 GLU 224 HB2 0.03 -0.07 0.04 -0.04 2.09 2.06 2jz4A1 GLU 224 HB3 0.02 -0.05 0.00 -0.04 1.99 1.92 2jz4A1 GLU 224 HG2 0.04 0.03 0.06 -0.04 2.34 2.42 2jz4A1 GLU 224 HG3 -0.00 -0.07 0.13 -0.04 2.34 2.36 2jz4A1 TYR 225 H -0.05 0.16 0.19 -0.55 8.29 8.05 2jz4A1 TYR 225 HA -0.03 0.15 0.68 -0.75 4.56 4.59 2jz4A1 TYR 225 HB2 -0.02 0.01 0.02 -0.04 3.06 3.03 2jz4A1 TYR 225 HB3 -0.06 0.17 -0.21 -0.04 2.98 2.84 2jz4A1 TYR 225 HD2 0.02 0.06 -0.26 -0.04 7.15 6.93 2jz4A1 TYR 225 HE2 0.03 0.02 -0.02 -0.04 6.85 6.84 2jz4A1 ILE 226 H 0.16 0.21 0.12 -0.55 8.25 8.19 2jz4A1 ILE 226 HA 0.07 0.25 0.80 -0.75 4.18 4.56 2jz4A1 ILE 226 HB 0.20 -0.01 0.23 -0.04 1.89 2.26 2jz4A1 ILE 226 HG12 0.17 -0.02 -0.01 -0.04 1.49 1.60 2jz4A1 ILE 226 HG13 0.18 0.06 0.00 -0.04 1.21 1.40 2jz4A1 ILE 226 HG23 0.36 0.00 -0.05 -0.04 0.93 1.20 2jz4A1 ILE 226 HD13 0.04 -0.00 -0.09 -0.04 0.88 0.78 2jz4A1 THR 227 H -0.08 0.29 0.19 -0.55 8.28 8.13 2jz4A1 THR 227 HA 0.29 0.14 0.54 -0.75 4.39 4.60 2jz4A1 THR 227 HB -0.40 0.02 0.05 -0.04 4.32 3.96 2jz4A1 THR 227 HG23 -0.05 0.00 -0.06 -0.04 1.22 1.07 2jz4A1 ALA 228 H 0.10 0.21 0.06 -0.55 8.40 8.22 2jz4A1 ALA 228 HA 0.11 0.23 0.57 -0.75 4.34 4.49 2jz4A1 ALA 228 HB3 0.05 0.01 -0.04 -0.04 1.41 1.39 2jz4A1 VAL 229 H 0.04 0.53 0.33 -0.55 8.24 8.59 2jz4A1 VAL 229 HA -0.12 0.09 1.00 -0.75 4.13 4.35 2jz4A1 VAL 229 HB -0.00 -0.06 0.10 -0.04 2.12 2.12 2jz4A1 VAL 229 HG13 -0.54 0.04 0.09 -0.04 0.97 0.52 2jz4A1 VAL 229 HG23 0.20 0.02 -0.13 -0.04 0.95 0.99 2jz4A1 GLU 230 H -0.35 0.72 0.28 -0.55 8.60 8.70 2jz4A1 GLU 230 HA -0.36 0.27 0.82 -0.75 4.29 4.28 2jz4A1 GLU 230 HB2 -0.16 -0.09 -0.18 -0.04 2.09 1.62 2jz4A1 GLU 230 HB3 -0.20 0.02 0.04 -0.04 1.99 1.81 2jz4A1 GLU 230 HG2 -0.11 0.09 0.03 -0.04 2.34 2.30 2jz4A1 GLU 230 HG3 -0.08 -0.09 -0.42 -0.04 2.34 1.71 2jz4A1 GLY 231 H -0.52 0.47 0.35 -0.55 8.43 8.18 2jz4A1 GLY 231 HA2 -0.28 0.04 0.49 -0.51 4.01 3.76 2jz4A1 GLY 231 HA3 -0.65 0.06 0.46 -0.51 4.01 3.37 2jz4A1 THR 232 H -0.04 0.68 0.38 -0.55 8.28 8.75 2jz4A1 THR 232 HA -0.05 0.21 0.97 -0.75 4.39 4.77 2jz4A1 THR 232 HB -0.08 0.20 -0.18 -0.04 4.32 4.22 2jz4A1 THR 232 HG23 -0.09 -0.03 -0.21 -0.04 1.22 0.84 2jz4A1 TYR 233 H -0.30 0.72 0.38 -0.55 8.29 8.53 2jz4A1 TYR 233 HA 0.05 0.04 1.13 -0.75 4.56 5.03 2jz4A1 TYR 233 HB2 0.01 0.11 0.17 -0.04 3.06 3.31 2jz4A1 TYR 233 HB3 0.06 -0.02 0.07 -0.04 2.98 3.05 2jz4A1 TYR 233 HD2 -0.02 -0.03 -0.13 -0.04 7.15 6.93 2jz4A1 TYR 233 HE2 -0.06 -0.02 -0.08 -0.04 6.85 6.65 2jz4A1 ASP 234 H 0.12 0.24 0.26 -0.55 8.40 8.48 2jz4A1 ASP 234 HA 0.10 0.07 1.06 -0.75 4.63 5.10 2jz4A1 ASP 234 HB2 0.04 0.02 -0.19 -0.04 2.71 2.54 2jz4A1 ASP 234 HB3 0.05 0.04 -0.02 -0.04 2.70 2.73 2jz4A1 LYS 235 H 0.09 0.08 0.19 -0.55 8.42 8.22 2jz4A1 LYS 235 HA 0.05 0.09 0.57 -0.75 4.32 4.28 2jz4A1 LYS 235 HB2 0.07 -0.07 0.16 -0.04 1.87 1.99 2jz4A1 LYS 235 HB3 0.06 0.17 0.04 -0.04 1.79 2.03 2jz4A1 LYS 235 HG2 0.11 -0.09 0.10 -0.04 1.46 1.54 2jz4A1 LYS 235 HG3 0.07 -0.02 0.08 -0.04 1.46 1.54 2jz4A1 LYS 235 HD2 0.05 0.06 0.05 -0.04 1.69 1.81 2jz4A1 LYS 235 HD3 0.06 0.08 0.05 -0.04 1.68 1.83 2jz4A1 LYS 235 HE2 0.07 -0.04 0.03 -0.04 2.99 3.00 2jz4A1 LYS 235 HE3 0.05 0.03 0.01 -0.04 2.99 3.04 2jz4A1 ILE 236 H -0.01 0.23 0.18 -0.55 8.25 8.10 2jz4A1 ILE 236 HA -0.08 0.11 0.74 -0.75 4.18 4.19 2jz4A1 ILE 236 HB -0.29 0.00 0.07 -0.04 1.89 1.64 2jz4A1 ILE 236 HG12 -0.11 -0.01 -0.17 -0.04 1.49 1.15 2jz4A1 ILE 236 HG13 -0.06 0.03 -0.29 -0.04 1.21 0.84 2jz4A1 ILE 236 HG23 -0.11 0.02 -0.08 -0.04 0.93 0.72 2jz4A1 ILE 236 HD13 -0.05 0.02 -0.20 -0.04 0.88 0.62 2jz4A1 PHE 237 H -0.68 0.08 0.14 -0.55 8.34 7.33 2jz4A1 PHE 237 HA 0.01 0.22 0.75 -0.75 4.62 4.86 2jz4A1 PHE 237 HB2 0.01 -0.06 0.14 -0.04 3.15 3.20 2jz4A1 PHE 237 HB3 0.01 0.07 0.05 -0.04 3.06 3.15 2jz4A1 PHE 237 HD2 0.01 0.03 -0.05 -0.04 7.28 7.23 2jz4A1 PHE 237 HE2 0.00 0.02 -0.00 -0.04 7.38 7.36 2jz4A1 PHE 237 HZ 0.00 0.01 0.00 -0.04 7.32 7.30 2jz4A1 GLY 238 H 0.21 0.15 0.12 -0.55 8.43 8.37 2jz4A1 GLY 238 HA2 0.11 0.01 0.38 -0.51 4.01 4.00 2jz4A1 GLY 238 HA3 0.10 0.08 0.42 -0.51 4.01 4.10 2jz4A1 SER 239 H 0.02 0.37 -0.68 -0.55 8.46 7.63 2jz4A1 SER 239 HA 0.02 0.14 0.63 -0.75 4.49 4.53 2jz4A1 SER 239 HB2 0.02 -0.10 0.09 -0.04 3.95 3.92 2jz4A1 SER 239 HB3 0.01 0.10 -0.06 -0.04 3.93 3.94 2jz4A1 ASP 240 H 0.02 0.14 0.10 -0.55 8.40 8.11 2jz4A1 ASP 240 HA 0.02 0.18 0.57 -0.75 4.63 4.65 2jz4A1 ASP 240 HB2 0.01 -0.04 0.07 -0.04 2.71 2.70 2jz4A1 ASP 240 HB3 0.01 0.04 0.18 -0.04 2.70 2.88 2jz4A1 GLY 241 H 0.02 -0.06 -0.61 -0.55 8.43 7.24 2jz4A1 GLY 241 HA2 0.05 0.06 0.50 -0.51 4.01 4.11 2jz4A1 GLY 241 HA3 0.08 -0.02 0.32 -0.51 4.01 3.89 2jz4A1 LEU 242 H 0.03 0.30 0.32 -0.55 8.37 8.47 2jz4A1 LEU 242 HA -0.03 0.03 0.67 -0.75 4.35 4.27 2jz4A1 LEU 242 HB2 -0.11 0.09 0.05 -0.04 1.64 1.62 2jz4A1 LEU 242 HB3 -0.15 0.07 0.06 -0.04 1.64 1.57 2jz4A1 LEU 242 HG -0.03 0.14 -0.11 -0.04 1.64 1.60 2jz4A1 LEU 242 HD13 -0.42 -0.02 -0.09 -0.04 0.93 0.36 2jz4A1 LEU 242 HD23 0.15 0.01 -0.20 -0.04 0.89 0.80 2jz4A1 ILE 243 H -0.02 0.37 0.31 -0.55 8.25 8.37 2jz4A1 ILE 243 HA -0.13 0.27 0.60 -0.75 4.18 4.16 2jz4A1 ILE 243 HB -0.16 0.01 -0.19 -0.04 1.89 1.50 2jz4A1 ILE 243 HG12 -0.06 -0.12 -0.01 -0.04 1.49 1.26 2jz4A1 ILE 243 HG13 -0.15 0.14 0.03 -0.04 1.21 1.19 2jz4A1 ILE 243 HG23 -0.04 0.03 -0.10 -0.04 0.93 0.77 2jz4A1 ILE 243 HD13 -0.11 -0.01 -0.23 -0.04 0.88 0.49 2jz4A1 ILE 244 H -0.01 0.23 0.18 -0.55 8.25 8.10 2jz4A1 ILE 244 HA 0.11 0.15 1.05 -0.75 4.18 4.74 2jz4A1 ILE 244 HB 0.09 -0.01 -0.02 -0.04 1.89 1.91 2jz4A1 ILE 244 HG12 0.03 0.07 0.21 -0.04 1.49 1.76 2jz4A1 ILE 244 HG13 0.02 -0.08 0.08 -0.04 1.21 1.18 2jz4A1 ILE 244 HG23 0.21 0.03 -0.13 -0.04 0.93 1.00 2jz4A1 ILE 244 HD13 0.10 0.02 -0.12 -0.04 0.88 0.83 2jz4A1 THR 245 H 0.05 0.32 0.26 -0.55 8.28 8.36 2jz4A1 THR 245 HA 0.01 -0.03 0.88 -0.75 4.39 4.50 2jz4A1 THR 245 HB 0.01 0.04 0.06 -0.04 4.32 4.40 2jz4A1 THR 245 HG23 0.02 0.02 -0.04 -0.04 1.22 1.18 2jz4A1 MET 246 H 0.03 0.22 0.02 -0.55 8.47 8.20 2jz4A1 MET 246 HA 0.04 0.38 0.73 -0.75 4.52 4.91 2jz4A1 MET 246 HB2 0.01 0.07 -0.59 -0.04 2.15 1.59 2jz4A1 MET 246 HB3 -0.01 -0.06 -0.03 -0.04 2.03 1.89 2jz4A1 MET 246 HG2 0.01 0.20 -0.52 -0.04 2.63 2.28 2jz4A1 MET 246 HG3 -0.02 -0.13 -0.44 -0.04 2.56 1.93 2jz4A1 MET 246 HE3 -0.08 -0.04 -0.18 -0.04 2.10 1.77 2jz4A1 LEU 247 H 0.05 0.48 0.14 -0.55 8.37 8.50 2jz4A1 LEU 247 HA -0.18 0.12 0.99 -0.75 4.35 4.53 2jz4A1 LEU 247 HB2 -0.06 -0.04 0.05 -0.04 1.64 1.55 2jz4A1 LEU 247 HB3 -0.24 0.05 -0.03 -0.04 1.64 1.37 2jz4A1 LEU 247 HG -0.04 -0.07 -0.28 -0.04 1.64 1.20 2jz4A1 LEU 247 HD13 -0.25 -0.01 -0.08 -0.04 0.93 0.55 2jz4A1 LEU 247 HD23 -0.19 0.02 0.02 -0.04 0.89 0.69 2jz4A1 ARG 248 H -0.28 0.70 0.25 -0.55 8.46 8.58 2jz4A1 ARG 248 HA 0.22 0.17 0.81 -0.75 4.34 4.79 2jz4A1 ARG 248 HB2 -0.10 -0.06 -0.20 -0.04 1.90 1.50 2jz4A1 ARG 248 HB3 0.01 0.04 -0.09 -0.04 1.80 1.72 2jz4A1 ARG 248 HG2 0.07 0.12 -0.01 -0.04 1.67 1.81 2jz4A1 ARG 248 HG3 0.01 -0.04 -0.42 -0.04 1.67 1.18 2jz4A1 ARG 248 HD2 -0.02 0.05 -0.11 -0.04 3.22 3.10 2jz4A1 ARG 248 HD3 -0.04 -0.01 -0.12 -0.04 3.22 3.02 2jz4A1 PHE 249 H 0.30 0.27 0.13 -0.55 8.34 8.49 2jz4A1 PHE 249 HA 0.06 0.11 0.97 -0.75 4.62 5.00 2jz4A1 PHE 249 HB2 0.19 -0.05 0.02 -0.04 3.15 3.27 2jz4A1 PHE 249 HB3 0.13 0.09 0.03 -0.04 3.06 3.28 2jz4A1 PHE 249 HD2 0.18 0.00 -0.12 -0.04 7.28 7.30 2jz4A1 PHE 249 HE2 0.14 -0.00 -0.15 -0.04 7.38 7.34 2jz4A1 PHE 249 HZ 0.14 -0.02 -0.12 -0.04 7.32 7.28 2jz4A1 LYS 250 H 0.12 0.62 0.26 -0.55 8.42 8.87 2jz4A1 LYS 250 HA 0.05 0.09 0.69 -0.75 4.32 4.40 2jz4A1 LYS 250 HB2 0.04 -0.09 0.13 -0.04 1.87 1.91 2jz4A1 LYS 250 HB3 0.01 0.02 0.01 -0.04 1.79 1.79 2jz4A1 LYS 250 HG2 0.00 0.01 -0.16 -0.04 1.46 1.27 2jz4A1 LYS 250 HG3 0.00 0.00 -0.34 -0.04 1.46 1.09 2jz4A1 LYS 250 HD2 -0.01 0.02 -0.15 -0.04 1.69 1.50 2jz4A1 LYS 250 HD3 0.01 -0.00 -0.13 -0.04 1.68 1.52 2jz4A1 LYS 250 HE2 0.00 -0.01 -0.06 -0.04 2.99 2.88 2jz4A1 LYS 250 HE3 -0.00 0.01 -0.06 -0.04 2.99 2.90 2jz4A1 THR 251 H 0.04 0.27 0.20 -0.55 8.28 8.24 2jz4A1 THR 251 HA 0.00 0.14 0.79 -0.75 4.39 4.56 2jz4A1 THR 251 HB 0.10 -0.03 -0.09 -0.04 4.32 4.27 2jz4A1 THR 251 HG23 0.18 0.02 -0.08 -0.04 1.22 1.30 2jz4A1 ASN 252 H -0.08 0.20 0.21 -0.55 8.53 8.31 2jz4A1 ASN 252 HA -0.02 0.17 0.83 -0.75 4.76 4.99 2jz4A1 ASN 252 HB2 -0.03 0.01 0.11 -0.04 2.88 2.93 2jz4A1 ASN 252 HB3 -0.12 0.01 0.07 -0.04 2.79 2.70 2jz4A1 ASN 252 HD21 -0.21 -0.06 0.15 -0.04 7.03 6.86 2jz4A1 ASN 252 HD22 -0.40 0.05 0.17 -0.04 7.74 7.52 2jz4A1 LYS 253 H 0.00 0.17 0.14 -0.55 8.42 8.18 2jz4A1 LYS 253 HA 0.01 0.02 0.34 -0.75 4.32 3.95 2jz4A1 LYS 253 HB2 0.03 0.06 -0.16 -0.04 1.87 1.75 2jz4A1 LYS 253 HB3 0.03 0.01 0.10 -0.04 1.79 1.90 2jz4A1 LYS 253 HG2 0.03 0.04 0.03 -0.04 1.46 1.51 2jz4A1 LYS 253 HG3 0.02 -0.00 0.11 -0.04 1.46 1.54 2jz4A1 LYS 253 HD2 0.01 -0.01 0.08 -0.04 1.69 1.73 2jz4A1 LYS 253 HD3 0.02 -0.04 -0.03 -0.04 1.68 1.58 2jz4A1 LYS 253 HE2 0.02 0.00 0.03 -0.04 2.99 3.00 2jz4A1 LYS 253 HE3 0.02 -0.01 0.02 -0.04 2.99 2.99 2jz4A1 GLN 254 H 0.03 0.20 -1.30 -0.55 8.47 6.86 2jz4A1 GLN 254 HA 0.03 0.14 0.64 -0.75 4.36 4.42 2jz4A1 GLN 254 HB2 0.15 -0.00 -0.15 -0.04 2.15 2.11 2jz4A1 GLN 254 HB3 0.14 -0.05 -0.01 -0.04 2.02 2.06 2jz4A1 GLN 254 HG2 0.08 0.09 -0.17 -0.04 2.40 2.36 2jz4A1 GLN 254 HG3 0.08 0.05 -0.20 -0.04 2.39 2.28 2jz4A1 GLN 254 HE21 0.13 0.03 -0.00 -0.04 6.97 7.09 2jz4A1 GLN 254 HE22 0.20 0.00 0.02 -0.04 7.69 7.87 2jz4A1 THR 255 H -0.03 0.21 0.01 -0.55 8.28 7.92 2jz4A1 THR 255 HA -0.02 0.17 0.77 -0.75 4.39 4.55 2jz4A1 THR 255 HB -0.08 -0.03 0.09 -0.04 4.32 4.25 2jz4A1 THR 255 HG23 -0.08 0.01 -0.14 -0.04 1.22 0.97 2jz4A1 SER 256 H -0.00 0.20 0.07 -0.55 8.46 8.18 2jz4A1 SER 256 HA -0.38 0.05 0.73 -0.75 4.49 4.13 2jz4A1 SER 256 HB2 0.29 0.04 0.04 -0.04 3.95 4.28 2jz4A1 SER 256 HB3 0.34 -0.04 0.01 -0.04 3.93 4.21 2jz4A1 ALA 257 H -0.45 0.06 0.11 -0.55 8.40 7.57 2jz4A1 ALA 257 HA -0.31 0.11 0.32 -0.75 4.34 3.71 2jz4A1 ALA 257 HB3 -0.64 0.01 0.02 -0.04 1.41 0.76 2jz4A1 PRO 258 HA -0.12 0.09 0.50 -0.51 4.44 4.41 2jz4A1 PRO 258 HB2 -0.08 0.10 0.08 -0.04 2.28 2.35 2jz4A1 PRO 258 HB3 -0.09 0.01 0.06 -0.04 2.02 1.96 2jz4A1 PRO 258 HG2 -0.12 0.03 0.16 -0.04 2.03 2.06 2jz4A1 PRO 258 HG3 -0.10 0.02 0.09 -0.04 2.03 2.00 2jz4A1 PRO 258 HD2 -0.24 0.06 0.12 -0.04 3.68 3.58 2jz4A1 PRO 258 HD3 -0.18 0.14 0.16 -0.04 3.65 3.73 2jz4A1 PHE 259 H -0.04 0.35 0.09 -0.55 8.34 8.18 2jz4A1 PHE 259 HA 0.00 0.01 0.48 -0.75 4.62 4.35 2jz4A1 PHE 259 HB2 0.04 0.16 0.24 -0.04 3.15 3.55 2jz4A1 PHE 259 HB3 0.03 -0.07 0.02 -0.04 3.06 3.00 2jz4A1 PHE 259 HD2 0.09 0.07 0.05 -0.04 7.28 7.44 2jz4A1 PHE 259 HE2 0.10 -0.05 -0.08 -0.04 7.38 7.30 2jz4A1 PHE 259 HZ 0.05 -0.05 -0.09 -0.04 7.32 7.19 2jz4A1 GLY 260 H 0.05 0.16 0.24 -0.55 8.43 8.34 2jz4A1 GLY 260 HA2 0.03 -0.03 0.35 -0.51 4.01 3.86 2jz4A1 GLY 260 HA3 0.05 0.35 0.90 -0.51 4.01 4.80 2jz4A1 LEU 261 H 0.01 0.28 0.08 -0.55 8.37 8.20 2jz4A1 LEU 261 HA -0.01 0.12 0.81 -0.75 4.35 4.51 2jz4A1 LEU 261 HB2 -0.00 0.00 -0.04 -0.04 1.64 1.56 2jz4A1 LEU 261 HB3 0.00 -0.03 0.08 -0.04 1.64 1.66 2jz4A1 LEU 261 HG -0.00 0.06 -0.34 -0.04 1.64 1.32 2jz4A1 LEU 261 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 2jz4A1 LEU 261 HD23 -0.00 -0.02 -0.05 -0.04 0.89 0.79 2jz4A1 GLU 262 H -0.02 0.15 0.02 -0.55 8.60 8.20 2jz4A1 GLU 262 HA -0.02 0.03 0.33 -0.75 4.29 3.87 2jz4A1 GLU 262 HB2 -0.03 0.01 0.01 -0.04 2.09 2.03 2jz4A1 GLU 262 HB3 -0.03 -0.01 0.06 -0.04 1.99 1.98 2jz4A1 GLU 262 HG2 -0.04 0.04 -0.27 -0.04 2.34 2.03 2jz4A1 GLU 262 HG3 -0.05 -0.01 -0.09 -0.04 2.34 2.15 2jz4A1 ALA 263 H -0.02 0.36 0.21 -0.55 8.40 8.40 2jz4A1 ALA 263 HA -0.02 0.04 0.35 -0.75 4.34 3.96 2jz4A1 ALA 263 HB3 0.00 0.03 -0.04 -0.04 1.41 1.36 2jz4A1 GLY 264 H -0.01 0.10 0.11 -0.55 8.43 8.08 2jz4A1 GLY 264 HA2 -0.01 -0.04 0.37 -0.51 4.01 3.82 2jz4A1 GLY 264 HA3 -0.02 0.20 0.49 -0.51 4.01 4.17 2jz4A1 THR 265 H -0.20 0.59 0.41 -0.55 8.28 8.53 2jz4A1 THR 265 HA -0.15 0.07 0.77 -0.75 4.39 4.33 2jz4A1 THR 265 HB -0.75 0.03 0.19 -0.04 4.32 3.75 2jz4A1 THR 265 HG23 -0.11 0.03 0.03 -0.04 1.22 1.13 2jz4A1 ALA 266 H -0.13 0.12 0.21 -0.55 8.40 8.04 2jz4A1 ALA 266 HA -0.12 0.22 1.01 -0.75 4.34 4.69 2jz4A1 ALA 266 HB3 -0.08 0.00 0.06 -0.04 1.41 1.35 2jz4A1 PHE 267 H -0.10 0.75 0.43 -0.55 8.34 8.86 2jz4A1 PHE 267 HA 0.01 0.13 0.77 -0.75 4.62 4.77 2jz4A1 PHE 267 HB2 0.11 0.01 0.09 -0.04 3.15 3.32 2jz4A1 PHE 267 HB3 0.20 0.02 -0.23 -0.04 3.06 3.00 2jz4A1 PHE 267 HD2 0.08 0.02 -0.27 -0.04 7.28 7.07 2jz4A1 PHE 267 HE2 0.07 -0.01 -0.21 -0.04 7.38 7.19 2jz4A1 PHE 267 HZ -0.06 -0.01 -0.11 -0.04 7.32 7.10 2jz4A1 GLU 268 H 0.23 0.30 0.23 -0.55 8.60 8.81 2jz4A1 GLU 268 HA -0.13 0.19 0.69 -0.75 4.29 4.28 2jz4A1 GLU 268 HB2 -0.00 0.05 0.06 -0.04 2.09 2.16 2jz4A1 GLU 268 HB3 -0.06 0.02 -0.03 -0.04 1.99 1.87 2jz4A1 GLU 268 HG2 0.06 0.00 -0.10 -0.04 2.34 2.26 2jz4A1 GLU 268 HG3 0.02 0.01 -0.08 -0.04 2.34 2.25 2jz4A1 LEU 269 H 0.03 0.52 0.19 -0.55 8.37 8.57 2jz4A1 LEU 269 HA 0.12 0.16 0.86 -0.75 4.35 4.73 2jz4A1 LEU 269 HB2 0.14 -0.07 0.14 -0.04 1.64 1.80 2jz4A1 LEU 269 HB3 0.14 0.03 0.01 -0.04 1.64 1.78 2jz4A1 LEU 269 HG 0.34 -0.05 -0.43 -0.04 1.64 1.45 2jz4A1 LEU 269 HD13 0.24 -0.01 -0.05 -0.04 0.93 1.06 2jz4A1 LEU 269 HD23 0.15 0.04 0.06 -0.04 0.89 1.10 2jz4A1 LYS 270 H 0.07 0.28 0.13 -0.55 8.42 8.35 2jz4A1 LYS 270 HA 0.08 0.20 0.85 -0.75 4.32 4.70 2jz4A1 LYS 270 HB2 0.06 0.09 0.03 -0.04 1.87 2.01 2jz4A1 LYS 270 HB3 0.05 -0.04 -0.18 -0.04 1.79 1.58 2jz4A1 LYS 270 HG2 0.05 -0.04 -0.02 -0.04 1.46 1.42 2jz4A1 LYS 270 HG3 0.05 0.02 -0.17 -0.04 1.46 1.32 2jz4A1 LYS 270 HD2 0.04 0.02 -0.10 -0.04 1.69 1.61 2jz4A1 LYS 270 HD3 0.04 -0.02 -0.10 -0.04 1.68 1.55 2jz4A1 LYS 270 HE2 0.04 0.00 -0.08 -0.04 2.99 2.91 2jz4A1 LYS 270 HE3 0.03 -0.00 -0.07 -0.04 2.99 2.92 2jz4A1 GLU 271 H 0.09 0.44 0.21 -0.55 8.60 8.78 2jz4A1 GLU 271 HA 0.04 0.10 0.64 -0.75 4.29 4.32 2jz4A1 GLU 271 HB2 -0.00 0.01 -0.23 -0.04 2.09 1.82 2jz4A1 GLU 271 HB3 0.02 0.03 -0.10 -0.04 1.99 1.90 2jz4A1 GLU 271 HG2 -0.34 -0.01 -0.05 -0.04 2.34 1.90 2jz4A1 GLU 271 HG3 -0.03 0.00 0.08 -0.04 2.34 2.36 2jz4A1 GLU 272 H 0.08 0.12 0.13 -0.55 8.60 8.39 2jz4A1 GLU 272 HA 0.10 0.15 0.68 -0.75 4.29 4.47 2jz4A1 GLU 272 HB2 0.06 0.03 0.05 -0.04 2.09 2.19 2jz4A1 GLU 272 HB3 0.08 -0.02 0.10 -0.04 1.99 2.11 2jz4A1 GLU 272 HG2 0.07 0.00 -0.22 -0.04 2.34 2.15 2jz4A1 GLU 272 HG3 0.07 -0.05 0.08 -0.04 2.34 2.40 2jz4A1 GLY 273 H 0.08 0.17 0.13 -0.55 8.43 8.26 2jz4A1 GLY 273 HA2 -0.00 0.00 0.38 -0.51 4.01 3.88 2jz4A1 GLY 273 HA3 -0.02 0.05 0.41 -0.51 4.01 3.94 2jz4A1 HIS 274 H 0.30 0.46 -0.62 -0.55 8.41 8.01 2jz4A1 HIS 274 HA 0.01 0.01 0.44 -0.75 4.63 4.34 2jz4A1 HIS 274 HB2 0.05 -0.02 -0.18 -0.04 3.26 3.07 2jz4A1 HIS 274 HB3 0.04 -0.05 -0.07 -0.04 3.20 3.07 2jz4A1 HIS 274 HD2 0.01 -0.04 -0.51 -0.04 6.97 6.38 2jz4A1 HIS 274 HE1 0.01 -0.03 -0.00 -0.04 7.75 7.68 2jz4A1 LYS 275 H 0.12 0.51 0.37 -0.55 8.42 8.87 2jz4A1 LYS 275 HA 0.15 0.24 0.75 -0.75 4.32 4.71 2jz4A1 LYS 275 HB2 0.01 -0.01 0.08 -0.04 1.87 1.91 2jz4A1 LYS 275 HB3 0.07 0.01 0.11 -0.04 1.79 1.94 2jz4A1 LYS 275 HG2 0.07 -0.04 0.02 -0.04 1.46 1.46 2jz4A1 LYS 275 HG3 0.22 0.09 0.02 -0.04 1.46 1.75 2jz4A1 LYS 275 HD2 -0.50 -0.06 -0.11 -0.04 1.69 0.98 2jz4A1 LYS 275 HD3 -0.11 0.02 -0.28 -0.04 1.68 1.27 2jz4A1 LYS 275 HE2 -0.14 0.02 0.04 -0.04 2.99 2.87 2jz4A1 LYS 275 HE3 -0.25 -0.03 -0.01 -0.04 2.99 2.66 2jz4A1 ILE 276 H 0.14 0.23 0.22 -0.55 8.25 8.29 2jz4A1 ILE 276 HA 0.11 0.23 0.99 -0.75 4.18 4.75 2jz4A1 ILE 276 HB 0.20 -0.01 0.10 -0.04 1.89 2.13 2jz4A1 ILE 276 HG12 0.18 0.10 -0.04 -0.04 1.49 1.69 2jz4A1 ILE 276 HG13 0.16 -0.02 -0.30 -0.04 1.21 1.01 2jz4A1 ILE 276 HG23 0.19 -0.01 -0.02 -0.04 0.93 1.04 2jz4A1 ILE 276 HD13 0.23 0.01 -0.13 -0.04 0.88 0.95 2jz4A1 VAL 277 H 0.02 0.11 0.20 -0.55 8.24 8.01 2jz4A1 VAL 277 HA -0.04 0.12 0.62 -0.75 4.13 4.08 2jz4A1 VAL 277 HB 0.01 0.08 0.10 -0.04 2.12 2.27 2jz4A1 VAL 277 HG13 0.09 0.01 -0.21 -0.04 0.97 0.82 2jz4A1 VAL 277 HG23 0.04 0.02 -0.14 -0.04 0.95 0.82 2jz4A1 GLY 278 H -0.13 0.11 0.19 -0.55 8.43 8.06 2jz4A1 GLY 278 HA2 -0.63 0.05 0.38 -0.51 4.01 3.31 2jz4A1 GLY 278 HA3 -0.27 0.22 -0.12 -0.51 4.01 3.33 2jz4A1 PHE 279 H -0.50 0.09 0.06 -0.55 8.34 7.44 2jz4A1 PHE 279 HA -0.46 0.29 0.90 -0.75 4.62 4.60 2jz4A1 PHE 279 HB2 -0.59 -0.04 -0.00 -0.04 3.15 2.48 2jz4A1 PHE 279 HB3 -0.92 0.08 0.10 -0.04 3.06 2.28 2jz4A1 PHE 279 HD2 -0.09 0.07 -0.13 -0.04 7.28 7.09 2jz4A1 PHE 279 HE2 -0.35 0.01 -0.14 -0.04 7.38 6.85 2jz4A1 PHE 279 HZ 0.24 0.01 -0.13 -0.04 7.32 7.40 2jz4A1 HIS 280 H -0.67 0.60 0.13 -0.55 8.41 7.93 2jz4A1 HIS 280 HA -0.67 -0.02 0.51 -0.75 4.63 3.69 2jz4A1 HIS 280 HB2 -0.27 0.02 0.04 -0.04 3.26 3.01 2jz4A1 HIS 280 HB3 -0.59 0.07 -0.23 -0.04 3.20 2.41 2jz4A1 HIS 280 HD2 -0.14 0.02 -0.23 -0.04 6.97 6.57 2jz4A1 HIS 280 HE1 -0.02 -0.03 -0.21 -0.04 7.75 7.44 2jz4A1 GLY 281 H -0.73 0.24 0.12 -0.55 8.43 7.51 2jz4A1 GLY 281 HA2 -0.36 0.03 0.18 -0.51 4.01 3.35 2jz4A1 GLY 281 HA3 -0.51 0.25 0.34 -0.51 4.01 3.58 2jz4A1 LYS 282 H 0.08 0.51 0.20 -0.55 8.42 8.66 2jz4A1 LYS 282 HA 0.24 0.19 0.71 -0.75 4.32 4.71 2jz4A1 LYS 282 HB2 0.10 0.04 -0.52 -0.04 1.87 1.45 2jz4A1 LYS 282 HB3 0.02 0.02 -0.32 -0.04 1.79 1.47 2jz4A1 LYS 282 HG2 -0.00 -0.02 -0.24 -0.04 1.46 1.15 2jz4A1 LYS 282 HG3 0.09 -0.15 -0.11 -0.04 1.46 1.24 2jz4A1 LYS 282 HD2 -0.03 -0.12 -0.57 -0.04 1.69 0.92 2jz4A1 LYS 282 HD3 -0.02 0.02 -0.82 -0.04 1.68 0.81 2jz4A1 LYS 282 HE2 -0.03 0.08 -0.30 -0.04 2.99 2.70 2jz4A1 LYS 282 HE3 -0.04 -0.10 -1.07 -0.04 2.99 1.73 2jz4A1 ALA 283 H 0.44 0.89 0.23 -0.55 8.40 9.42 2jz4A1 ALA 283 HA 0.20 0.05 0.59 -0.75 4.34 4.42 2jz4A1 ALA 283 HB3 -0.03 0.03 -0.15 -0.04 1.41 1.22 2jz4A1 SER 284 H 0.07 -0.06 0.24 -0.55 8.46 8.17 2jz4A1 SER 284 HA -0.01 0.23 0.80 -0.75 4.49 4.76 2jz4A1 SER 284 HB2 0.02 -0.02 0.13 -0.04 3.95 4.04 2jz4A1 SER 284 HB3 0.00 0.08 0.10 -0.04 3.93 4.07 2jz4A1 GLU 285 H 0.03 -0.17 0.24 -0.55 8.60 8.16 2jz4A1 GLU 285 HA -0.05 0.20 0.69 -0.75 4.29 4.38 2jz4A1 GLU 285 HB2 0.02 -0.09 0.12 -0.04 2.09 2.09 2jz4A1 GLU 285 HB3 -0.01 0.03 0.04 -0.04 1.99 2.00 2jz4A1 GLU 285 HG2 -0.03 0.08 0.09 -0.04 2.34 2.44 2jz4A1 GLU 285 HG3 -0.01 0.01 -0.23 -0.04 2.34 2.07 2jz4A1 LEU 286 H 0.05 0.01 0.28 -0.55 8.37 8.17 2jz4A1 LEU 286 HA -0.03 0.18 0.80 -0.75 4.35 4.55 2jz4A1 LEU 286 HB2 -0.04 0.01 0.06 -0.04 1.64 1.63 2jz4A1 LEU 286 HB3 -0.09 0.06 0.02 -0.04 1.64 1.60 2jz4A1 LEU 286 HG 0.01 -0.10 0.05 -0.04 1.64 1.56 2jz4A1 LEU 286 HD13 -0.04 0.02 -0.02 -0.04 0.93 0.85 2jz4A1 LEU 286 HD23 -0.03 0.03 -0.14 -0.04 0.89 0.70 2jz4A1 LEU 287 H -0.02 0.36 0.26 -0.55 8.37 8.42 2jz4A1 LEU 287 HA 0.12 0.09 0.57 -0.75 4.35 4.38 2jz4A1 LEU 287 HB2 0.04 -0.01 -0.01 -0.04 1.64 1.62 2jz4A1 LEU 287 HB3 0.07 0.03 0.20 -0.04 1.64 1.90 2jz4A1 LEU 287 HG 0.32 -0.04 -0.15 -0.04 1.64 1.74 2jz4A1 LEU 287 HD13 0.44 0.01 -0.42 -0.04 0.93 0.92 2jz4A1 LEU 287 HD23 0.01 -0.02 -0.20 -0.04 0.89 0.65 2jz4A1 HIS 288 H 0.24 0.33 0.33 -0.55 8.41 8.76 2jz4A1 HIS 288 HA 0.01 0.14 0.45 -0.75 4.63 4.47 2jz4A1 HIS 288 HB2 0.05 0.06 0.11 -0.04 3.26 3.43 2jz4A1 HIS 288 HB3 -0.00 -0.06 -0.20 -0.04 3.20 2.89 2jz4A1 HIS 288 HD2 -0.03 0.05 0.17 -0.04 6.97 7.12 2jz4A1 HIS 288 HE1 -0.02 -0.07 0.03 -0.04 7.75 7.65 2jz4A1 GLN 289 H 0.20 0.42 0.11 -0.55 8.47 8.65 2jz4A1 GLN 289 HA -0.01 0.28 0.83 -0.75 4.36 4.70 2jz4A1 GLN 289 HB2 -0.01 -0.12 -0.25 -0.04 2.15 1.73 2jz4A1 GLN 289 HB3 -0.01 -0.08 -0.03 -0.04 2.02 1.87 2jz4A1 GLN 289 HG2 -0.15 -0.00 -0.40 -0.04 2.40 1.81 2jz4A1 GLN 289 HG3 -0.12 0.16 -0.41 -0.04 2.39 1.98 2jz4A1 GLN 289 HE21 -0.12 -0.02 -0.24 -0.04 6.97 6.56 2jz4A1 GLN 289 HE22 -0.03 0.07 -0.17 -0.04 7.69 7.52 2jz4A1 PHE 290 H 0.04 0.34 0.09 -0.55 8.34 8.26 2jz4A1 PHE 290 HA -0.08 0.09 0.77 -0.75 4.62 4.65 2jz4A1 PHE 290 HB2 0.07 0.01 -0.23 -0.04 3.15 2.96 2jz4A1 PHE 290 HB3 0.01 0.02 0.03 -0.04 3.06 3.08 2jz4A1 PHE 290 HD2 0.03 -0.01 -0.30 -0.04 7.28 6.95 2jz4A1 PHE 290 HE2 -0.26 -0.02 -0.15 -0.04 7.38 6.91 2jz4A1 PHE 290 HZ -1.37 -0.02 -0.12 -0.04 7.32 5.78 2jz4A1 GLY 291 H -0.70 0.40 0.27 -0.55 8.43 7.85 2jz4A1 GLY 291 HA2 -0.04 0.12 0.72 -0.51 4.01 4.31 2jz4A1 GLY 291 HA3 -0.61 0.02 0.27 -0.51 4.01 3.18 2jz4A1 VAL 292 H 0.13 0.17 0.13 -0.55 8.24 8.12 2jz4A1 VAL 292 HA 0.11 0.20 0.97 -0.75 4.13 4.65 2jz4A1 VAL 292 HB 0.25 0.06 0.16 -0.04 2.12 2.55 2jz4A1 VAL 292 HG13 0.33 0.01 -0.24 -0.04 0.97 1.03 2jz4A1 VAL 292 HG23 0.18 0.01 -0.16 -0.04 0.95 0.94 2jz4A1 HIS 293 H 0.13 0.32 0.30 -0.55 8.41 8.62 2jz4A1 HIS 293 HA -0.00 0.17 0.78 -0.75 4.63 4.82 2jz4A1 HIS 293 HB2 -0.02 -0.01 0.03 -0.04 3.26 3.22 2jz4A1 HIS 293 HB3 -0.03 0.05 -0.00 -0.04 3.20 3.17 2jz4A1 HIS 293 HD2 -0.14 0.04 0.01 -0.04 6.97 6.83 2jz4A1 HIS 293 HE1 -0.12 -0.05 -0.08 -0.04 7.75 7.45 2jz4A1 VAL 294 H 0.04 0.42 0.20 -0.55 8.24 8.34 2jz4A1 VAL 294 HA 0.10 0.33 0.95 -0.75 4.13 4.76 2jz4A1 VAL 294 HB -0.15 -0.01 -0.10 -0.04 2.12 1.82 2jz4A1 VAL 294 HG13 0.04 -0.01 -0.41 -0.04 0.97 0.55 2jz4A1 VAL 294 HG23 -0.20 -0.00 -0.03 -0.04 0.95 0.68 2jz4A1 MET 295 H 0.16 0.56 0.30 -0.55 8.47 8.94 2jz4A1 MET 295 HA 0.18 0.18 0.80 -0.75 4.52 4.92 2jz4A1 MET 295 HB2 0.07 -0.02 -0.06 -0.04 2.15 2.10 2jz4A1 MET 295 HB3 0.05 0.09 -0.06 -0.04 2.03 2.07 2jz4A1 MET 295 HG2 0.05 0.04 -0.01 -0.04 2.63 2.67 2jz4A1 MET 295 HG3 0.06 -0.08 -0.45 -0.04 2.56 2.05 2jz4A1 MET 295 HE3 0.02 0.01 -0.06 -0.04 2.10 2.03 2jz4A1 PRO 296 HA -0.26 0.05 0.44 -0.51 4.44 4.16 2jz4A1 PRO 296 HB2 -0.14 0.02 0.07 -0.04 2.28 2.20 2jz4A1 PRO 296 HB3 -0.36 0.02 0.07 -0.04 2.02 1.70 2jz4A1 PRO 296 HG2 -0.04 0.05 0.17 -0.04 2.03 2.16 2jz4A1 PRO 296 HG3 -0.05 0.07 0.09 -0.04 2.03 2.11 2jz4A1 PRO 296 HD2 0.03 0.10 0.18 -0.04 3.68 3.96 2jz4A1 PRO 296 HD3 0.10 0.16 0.15 -0.04 3.65 4.02 2jz4A1 LEU 297 H -0.07 0.26 0.17 -0.55 8.37 8.17 2jz4A1 LEU 297 HA -0.04 0.20 0.77 -0.75 4.35 4.52 2jz4A1 LEU 297 HB2 -0.05 -0.01 0.12 -0.04 1.64 1.66 2jz4A1 LEU 297 HB3 -0.05 0.02 0.13 -0.04 1.64 1.70 2jz4A1 LEU 297 HG 0.02 0.01 -0.45 -0.04 1.64 1.17 2jz4A1 LEU 297 HD13 0.03 -0.02 -0.13 -0.04 0.93 0.77 2jz4A1 LEU 297 HD23 0.02 0.06 -0.15 -0.04 0.89 0.77 2jz4A1 THR 298 H -0.08 0.14 -0.20 -0.55 8.28 7.59 2jz4A1 THR 298 HA -0.10 0.21 0.81 -0.75 4.39 4.56 2jz4A1 THR 298 HB -0.09 0.16 0.03 -0.04 4.32 4.37 2jz4A1 THR 298 HG23 -0.07 -0.02 -0.07 -0.04 1.22 1.01 2jz4A1 ASN 299 H -0.05 0.14 0.04 -0.55 8.53 8.12 2jz4A1 ASN 299 HA -0.03 0.15 0.30 -0.75 4.76 4.44 2jz4A1 ASN 299 HB2 -0.02 0.03 0.07 -0.04 2.88 2.92 2jz4A1 ASN 299 HB3 -0.03 0.03 0.08 -0.04 2.79 2.84 2jz4A1 ASN 299 HD21 -0.01 0.02 0.03 -0.04 7.03 7.02 2jz4A1 ASN 299 HD22 -0.01 -0.00 0.02 -0.04 7.74 7.71