============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 9 0.840 6.261 -11.094 4.690 -99.200 -91.000 HIS 15 0.900 9.840 -23.240 4.194 -99.200 -91.000 TYR 20 0.840 18.221 -14.900 5.894 -99.200 -91.000 TRP 21 1.040 17.875 -19.972 10.301 -99.200 -91.000 TRP6 21 1.020 18.487 -21.261 12.188 -99.200 -91.000 TYR 23 0.840 21.989 -14.434 16.713 -99.200 -91.000 HIS 26 0.900 28.407 -13.087 10.244 -99.200 -91.000 TRP 30 1.040 36.923 -8.829 12.255 -99.200 -91.000 TRP6 30 1.020 35.899 -7.657 14.038 -99.200 -91.000 TYR 36 0.840 36.029 3.372 8.006 -99.200 -91.000 TYR 47 0.840 22.306 -2.623 25.676 -99.200 -91.000 PHE 51 1.000 32.706 8.025 19.106 -99.200 -91.000 PHE 110 1.000 25.452 1.359 11.004 -99.200 -91.000 HIS 112 0.900 26.266 12.129 7.552 -99.200 -91.000 PHE 118 1.000 11.569 12.325 18.768 -99.200 -91.000 TYR 122 0.840 7.158 13.309 15.945 -99.200 -91.000 TYR 128 0.840 2.068 14.842 -0.116 -99.200 -91.000 PHE 132 1.000 7.617 11.490 0.690 -99.200 -91.000 TYR 133 0.840 9.415 12.557 5.505 -99.200 -91.000 TYR 135 0.840 3.819 3.979 0.184 -99.200 -91.000 TYR 143 0.840 14.379 -5.803 1.870 -99.200 -91.000 HIS 145 0.900 7.608 -6.490 9.852 -99.200 -91.000 HIS 151 0.900 13.781 -1.348 14.570 -99.200 -91.000 HIS 157 0.900 13.156 8.420 20.536 -99.200 -91.000 HIS 163 0.900 10.896 17.887 5.926 -99.200 -91.000 HIS 165 0.900 19.349 16.160 0.090 -99.200 -91.000 TRP 173 1.040 18.173 -2.005 11.588 -99.200 -91.000 TRP6 173 1.020 16.158 -2.986 10.836 -99.200 -91.000 PHE 178 1.000 18.062 -13.485 11.881 -99.200 -91.000 TYR 179 0.840 7.462 -15.342 13.578 -99.200 -91.000 HIS 180 0.900 13.993 -18.768 13.894 -99.200 -91.000 TYR 185 0.840 11.129 -14.358 19.058 -99.200 -91.000 TYR 193 0.840 6.911 7.405 26.930 -99.200 -91.000 PHE 194 1.000 7.322 5.290 20.696 -99.200 -91.000 TYR 203 0.840 1.054 -14.570 23.555 -99.200 -91.000 TYR 206 0.840 7.696 -10.413 20.878 -99.200 -91.000 TYR 208 0.840 7.641 -11.184 10.581 -99.200 -91.000 TRP 213 1.040 1.141 -0.692 20.367 -99.200 -91.000 TRP6 213 1.020 -1.162 -0.771 20.910 -99.200 -91.000 PHE 224 1.000 -5.573 11.495 17.170 -99.200 -91.000 PHE 229 1.000 -3.030 8.628 21.401 -99.200 -91.000 PHE 230 1.000 -1.771 4.457 23.360 -99.200 -91.000 HIS 231 0.900 4.296 11.070 29.119 -99.200 -91.000 HIS 233 0.900 2.654 8.589 35.566 -99.200 -91.000 TYR 236 0.840 4.515 -3.445 36.373 -99.200 -91.000 TYR 252 0.840 -10.489 -7.302 32.012 -99.200 -91.000 TYR 254 0.840 -3.873 -9.314 23.427 -99.200 -91.000 TYR 258 0.840 -3.813 -14.376 21.531 -99.200 -91.000 PHE 266 1.000 -0.696 -4.378 34.199 -99.200 -91.000 HIS 273 0.900 -10.084 3.251 32.710 -99.200 -91.000 TRP 278 1.040 -9.729 6.333 16.948 -99.200 -91.000 TRP6 278 1.020 -8.005 5.072 17.954 -99.200 -91.000 PHE 281 1.000 -7.917 10.275 22.631 -99.200 -91.000 HIS 283 0.900 -6.000 19.660 19.727 -99.200 -91.000 HIS 288 0.900 -3.202 21.260 11.080 -99.200 -91.000 PHE 297 1.000 -2.295 3.362 8.303 -99.200 -91.000 TYR 304 0.840 -6.545 -3.393 24.462 -99.200 -91.000 HIS 306 0.900 -0.615 -11.397 19.016 -99.200 -91.000 HIS 318 0.900 -6.424 2.863 5.444 -99.200 -91.000 TYR 320 0.840 -2.893 8.372 6.512 -99.200 -91.000 PHE 321 1.000 0.152 5.239 3.940 -99.200 -91.000 TYR 322 0.840 -6.617 4.603 -2.091 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1na7A1 PRO 4 HA 0.13 0.13 0.18 -0.51 4.44 4.37 1na7A1 PRO 4 HB2 0.05 -0.08 0.16 -0.04 2.28 2.38 1na7A1 PRO 4 HB3 0.08 -0.05 0.08 -0.04 2.02 2.09 1na7A1 PRO 4 HG2 0.02 -0.08 0.06 -0.04 2.03 1.99 1na7A1 PRO 4 HG3 0.04 -0.00 0.09 -0.04 2.03 2.11 1na7A1 PRO 4 HD2 0.03 -0.07 0.01 -0.04 3.68 3.61 1na7A1 PRO 4 HD3 0.03 -0.05 0.05 -0.04 3.65 3.64 1na7A1 VAL 5 H 0.11 0.37 0.08 -0.55 8.24 8.25 1na7A1 VAL 5 HA 0.10 -0.02 0.40 -0.75 4.13 3.86 1na7A1 VAL 5 HB 0.10 -0.10 0.19 -0.04 2.12 2.27 1na7A1 VAL 5 HG13 0.04 0.04 -0.01 -0.04 0.97 1.01 1na7A1 VAL 5 HG23 0.00 0.03 -0.01 -0.04 0.95 0.92 1na7A1 PRO 6 HA 0.22 0.08 0.61 -0.51 4.44 4.85 1na7A1 PRO 6 HB2 0.10 -0.01 0.08 -0.04 2.28 2.40 1na7A1 PRO 6 HB3 0.07 0.05 0.15 -0.04 2.02 2.25 1na7A1 PRO 6 HG2 0.09 -0.02 0.02 -0.04 2.03 2.08 1na7A1 PRO 6 HG3 0.06 0.00 0.07 -0.04 2.03 2.12 1na7A1 PRO 6 HD2 0.08 0.03 0.24 -0.04 3.68 3.99 1na7A1 PRO 6 HD3 0.08 0.18 0.22 -0.04 3.65 4.08 1na7A1 SER 7 H 0.23 0.29 0.27 -0.55 8.46 8.71 1na7A1 SER 7 HA 0.24 0.12 0.64 -0.75 4.49 4.73 1na7A1 SER 7 HB2 0.38 -0.07 0.10 -0.04 3.95 4.33 1na7A1 SER 7 HB3 0.53 0.09 -0.25 -0.04 3.93 4.27 1na7A1 ARG 8 H 0.19 0.27 0.18 -0.55 8.46 8.55 1na7A1 ARG 8 HA 0.26 0.11 0.75 -0.75 4.34 4.71 1na7A1 ARG 8 HB2 0.18 0.05 0.07 -0.04 1.90 2.16 1na7A1 ARG 8 HB3 0.15 0.03 -0.03 -0.04 1.80 1.91 1na7A1 ARG 8 HG2 0.13 -0.08 -0.07 -0.04 1.67 1.61 1na7A1 ARG 8 HG3 0.12 0.04 -0.13 -0.04 1.67 1.66 1na7A1 ARG 8 HD2 0.09 0.01 -0.10 -0.04 3.22 3.18 1na7A1 ARG 8 HD3 0.08 0.01 -0.07 -0.04 3.22 3.20 1na7A1 ALA 9 H 0.25 0.15 0.13 -0.55 8.40 8.39 1na7A1 ALA 9 HA 0.04 0.04 0.57 -0.75 4.34 4.23 1na7A1 ALA 9 HB3 -0.21 0.00 0.11 -0.04 1.41 1.27 1na7A1 ARG 10 H 0.07 0.13 0.21 -0.55 8.46 8.31 1na7A1 ARG 10 HA 0.05 0.17 0.53 -0.75 4.34 4.34 1na7A1 ARG 10 HB2 0.04 -0.02 0.12 -0.04 1.90 2.00 1na7A1 ARG 10 HB3 0.02 0.01 0.15 -0.04 1.80 1.94 1na7A1 ARG 10 HG2 0.06 0.00 0.04 -0.04 1.67 1.74 1na7A1 ARG 10 HG3 0.04 0.13 0.10 -0.04 1.67 1.89 1na7A1 ARG 10 HD2 0.03 0.00 0.04 -0.04 3.22 3.26 1na7A1 ARG 10 HD3 0.04 -0.01 0.03 -0.04 3.22 3.24 1na7A1 VAL 11 H 0.06 0.09 -0.18 -0.55 8.24 7.66 1na7A1 VAL 11 HA -0.15 0.20 0.79 -0.75 4.13 4.21 1na7A1 VAL 11 HB -0.77 0.03 0.04 -0.04 2.12 1.39 1na7A1 VAL 11 HG13 -0.13 0.00 -0.15 -0.04 0.97 0.65 1na7A1 VAL 11 HG23 0.00 -0.03 -0.03 -0.04 0.95 0.85 1na7A1 TYR 12 H -0.35 0.20 0.13 -0.55 8.29 7.72 1na7A1 TYR 12 HA 0.06 0.05 0.35 -0.75 4.56 4.26 1na7A1 TYR 12 HB2 -0.08 0.07 0.01 -0.04 3.06 3.02 1na7A1 TYR 12 HB3 0.02 0.09 0.23 -0.04 2.98 3.29 1na7A1 TYR 12 HD2 -0.25 0.01 -0.07 -0.04 7.15 6.79 1na7A1 TYR 12 HE2 -0.07 -0.02 0.01 -0.04 6.85 6.73 1na7A1 THR 13 H 0.15 0.04 -0.49 -0.55 8.28 7.43 1na7A1 THR 13 HA 0.40 0.06 0.32 -0.75 4.39 4.42 1na7A1 THR 13 HB 0.14 -0.07 0.02 -0.04 4.32 4.37 1na7A1 THR 13 HG23 0.18 -0.01 -0.05 -0.04 1.22 1.30 1na7A1 ASP 14 H 0.18 0.06 -0.14 -0.55 8.40 7.95 1na7A1 ASP 14 HA 0.13 0.28 1.03 -0.75 4.63 5.32 1na7A1 ASP 14 HB2 0.33 0.01 0.16 -0.04 2.71 3.17 1na7A1 ASP 14 HB3 0.13 0.09 0.04 -0.04 2.70 2.92 1na7A1 VAL 15 H 0.22 0.28 -0.27 -0.55 8.24 7.92 1na7A1 VAL 15 HA 0.11 0.03 0.33 -0.75 4.13 3.85 1na7A1 VAL 15 HB 0.18 0.06 0.05 -0.04 2.12 2.37 1na7A1 VAL 15 HG13 -0.00 0.06 -0.12 -0.04 0.97 0.87 1na7A1 VAL 15 HG23 0.18 -0.03 0.07 -0.04 0.95 1.13 1na7A1 ASN 16 H 0.11 0.14 -0.22 -0.55 8.53 8.01 1na7A1 ASN 16 HA 0.18 0.13 0.54 -0.75 4.76 4.87 1na7A1 ASN 16 HB2 -0.20 0.10 0.16 -0.04 2.88 2.89 1na7A1 ASN 16 HB3 -0.23 -0.02 -0.04 -0.04 2.79 2.45 1na7A1 ASN 16 HD21 0.28 0.21 0.29 -0.04 7.03 7.77 1na7A1 ASN 16 HD22 -0.29 0.48 0.13 -0.04 7.74 8.02 1na7A1 THR 17 H 0.04 0.03 -0.15 -0.55 8.28 7.65 1na7A1 THR 17 HA -0.09 0.05 0.36 -0.75 4.39 3.96 1na7A1 THR 17 HB -0.03 0.06 0.10 -0.04 4.32 4.41 1na7A1 THR 17 HG23 -0.15 -0.01 0.04 -0.04 1.22 1.06 1na7A1 HIS 18 H 0.24 0.19 -0.42 -0.55 8.41 7.88 1na7A1 HIS 18 HA 0.06 0.12 0.79 -0.75 4.63 4.85 1na7A1 HIS 18 HB2 0.03 0.05 0.05 -0.04 3.26 3.36 1na7A1 HIS 18 HB3 0.03 -0.05 0.01 -0.04 3.20 3.16 1na7A1 HIS 18 HD2 0.03 -0.01 -0.01 -0.04 6.97 6.93 1na7A1 HIS 18 HE1 0.04 -0.08 -0.04 -0.04 7.75 7.62 1na7A1 ARG 19 H 0.16 0.16 -0.06 -0.55 8.46 8.16 1na7A1 ARG 19 HA 0.06 -0.02 0.42 -0.75 4.34 4.04 1na7A1 ARG 19 HB2 0.10 0.08 0.23 -0.04 1.90 2.27 1na7A1 ARG 19 HB3 0.08 0.01 0.05 -0.04 1.80 1.90 1na7A1 ARG 19 HG2 -0.25 -0.05 0.10 -0.04 1.67 1.42 1na7A1 ARG 19 HG3 -0.13 -0.03 0.10 -0.04 1.67 1.56 1na7A1 ARG 19 HD2 -0.43 0.05 -0.03 -0.04 3.22 2.77 1na7A1 ARG 19 HD3 -1.67 -0.03 0.01 -0.04 3.22 1.49 1na7A1 PRO 20 HA 0.07 0.10 0.45 -0.51 4.44 4.54 1na7A1 PRO 20 HB2 0.04 -0.09 0.03 -0.04 2.28 2.21 1na7A1 PRO 20 HB3 0.01 0.00 0.15 -0.04 2.02 2.14 1na7A1 PRO 20 HG2 0.04 0.05 0.09 -0.04 2.03 2.17 1na7A1 PRO 20 HG3 0.04 0.08 0.11 -0.04 2.03 2.22 1na7A1 PRO 20 HD2 0.05 0.09 0.20 -0.04 3.68 3.98 1na7A1 PRO 20 HD3 0.03 0.15 0.24 -0.04 3.65 4.03 1na7A1 ARG 21 H -0.07 0.14 0.20 -0.55 8.46 8.18 1na7A1 ARG 21 HA -0.88 0.19 0.47 -0.75 4.34 3.37 1na7A1 ARG 21 HB2 -0.12 0.05 0.16 -0.04 1.90 1.95 1na7A1 ARG 21 HB3 -0.30 -0.00 0.04 -0.04 1.80 1.50 1na7A1 ARG 21 HG2 -1.12 -0.06 0.06 -0.04 1.67 0.50 1na7A1 ARG 21 HG3 -0.37 0.07 0.06 -0.04 1.67 1.39 1na7A1 ARG 21 HD2 -0.08 0.00 0.01 -0.04 3.22 3.11 1na7A1 ARG 21 HD3 -0.08 0.02 0.02 -0.04 3.22 3.14 1na7A1 GLU 22 H -0.19 0.06 -0.13 -0.55 8.60 7.79 1na7A1 GLU 22 HA -0.27 0.13 0.34 -0.75 4.29 3.74 1na7A1 GLU 22 HB2 -0.10 -0.04 0.07 -0.04 2.09 1.98 1na7A1 GLU 22 HB3 -0.05 -0.00 -0.02 -0.04 1.99 1.88 1na7A1 GLU 22 HG2 -0.02 0.04 -0.07 -0.04 2.34 2.26 1na7A1 GLU 22 HG3 -0.06 0.04 0.05 -0.04 2.34 2.34 1na7A1 TYR 23 H -0.11 0.21 -0.79 -0.55 8.29 7.05 1na7A1 TYR 23 HA -0.02 0.10 0.43 -0.75 4.56 4.31 1na7A1 TYR 23 HB2 0.04 -0.10 0.02 -0.04 3.06 2.99 1na7A1 TYR 23 HB3 0.13 0.19 0.03 -0.04 2.98 3.29 1na7A1 TYR 23 HD2 0.24 -0.04 -0.10 -0.04 7.15 7.21 1na7A1 TYR 23 HE2 0.20 0.06 0.00 -0.04 6.85 7.07 1na7A1 TRP 24 H -0.59 0.19 -0.08 -0.55 7.97 6.94 1na7A1 TRP 24 HA -1.14 0.23 0.85 -0.75 4.62 3.81 1na7A1 TRP 24 HB2 -0.30 -0.07 0.05 -0.04 3.23 2.87 1na7A1 TRP 24 HB3 0.04 0.04 -0.00 -0.04 3.23 3.27 1na7A1 TRP 24 HD1 0.22 0.04 -0.01 -0.04 7.22 7.43 1na7A1 TRP 24 HE1 0.06 0.18 -0.17 -0.04 10.20 10.23 1na7A1 TRP 24 HE3 -0.16 -0.07 -0.41 -0.04 7.59 6.92 1na7A1 TRP 24 HZ2 -0.04 0.00 -0.01 -0.04 7.44 7.36 1na7A1 TRP 24 HZ3 -0.19 -0.07 -0.04 -0.04 7.13 6.79 1na7A1 TRP 24 HH2 -0.11 -0.04 -0.01 -0.04 7.19 6.99 1na7A1 ASP 25 H -0.91 0.54 -0.06 -0.55 8.40 7.42 1na7A1 ASP 25 HA -0.30 0.05 0.69 -0.75 4.63 4.31 1na7A1 ASP 25 HB2 -1.30 0.02 0.11 -0.04 2.71 1.50 1na7A1 ASP 25 HB3 -0.64 0.10 0.14 -0.04 2.70 2.26 1na7A1 TYR 26 H -0.34 0.37 0.08 -0.55 8.29 7.85 1na7A1 TYR 26 HA -0.08 0.15 0.33 -0.75 4.56 4.21 1na7A1 TYR 26 HB2 0.01 0.10 -0.15 -0.04 3.06 2.98 1na7A1 TYR 26 HB3 0.00 0.10 0.03 -0.04 2.98 3.07 1na7A1 TYR 26 HD2 0.04 0.07 -0.14 -0.04 7.15 7.08 1na7A1 TYR 26 HE2 0.15 -0.02 0.07 -0.04 6.85 7.01 1na7A1 ALA 27 H -0.49 0.06 -0.26 -0.55 8.40 7.17 1na7A1 ALA 27 HA 0.03 0.09 0.43 -0.75 4.34 4.14 1na7A1 ALA 27 HB3 -0.18 0.00 0.03 -0.04 1.41 1.23 1na7A1 SER 28 H -0.13 0.21 -0.36 -0.55 8.46 7.64 1na7A1 SER 28 HA -0.04 0.16 0.65 -0.75 4.49 4.51 1na7A1 SER 28 HB2 -0.08 -0.02 0.12 -0.04 3.95 3.93 1na7A1 SER 28 HB3 -0.10 -0.07 -0.01 -0.04 3.93 3.71 1na7A1 HIS 29 H 0.09 0.28 -0.67 -0.55 8.41 7.57 1na7A1 HIS 29 HA -0.06 0.07 0.58 -0.75 4.63 4.48 1na7A1 HIS 29 HB2 -0.03 0.03 0.03 -0.04 3.26 3.25 1na7A1 HIS 29 HB3 0.01 0.14 0.07 -0.04 3.20 3.38 1na7A1 HIS 29 HD2 -0.06 0.03 0.00 -0.04 6.97 6.91 1na7A1 HIS 29 HE1 -0.13 -0.09 -0.21 -0.04 7.75 7.27 1na7A1 VAL 30 H -0.54 0.18 0.13 -0.55 8.24 7.46 1na7A1 VAL 30 HA -0.17 0.16 0.90 -0.75 4.13 4.27 1na7A1 VAL 30 HB -0.18 -0.02 0.11 -0.04 2.12 1.98 1na7A1 VAL 30 HG13 -0.04 -0.01 -0.19 -0.04 0.97 0.68 1na7A1 VAL 30 HG23 -0.07 0.03 -0.10 -0.04 0.95 0.77 1na7A1 VAL 31 H -0.15 0.16 0.07 -0.55 8.24 7.77 1na7A1 VAL 31 HA -0.32 0.11 0.51 -0.75 4.13 3.68 1na7A1 VAL 31 HB -0.58 -0.03 0.09 -0.04 2.12 1.56 1na7A1 VAL 31 HG13 -1.33 -0.01 -0.34 -0.04 0.97 -0.74 1na7A1 VAL 31 HG23 -0.18 0.02 -0.08 -0.04 0.95 0.67 1na7A1 GLU 32 H -0.22 0.21 0.14 -0.55 8.60 8.19 1na7A1 GLU 32 HA -0.00 0.06 0.65 -0.75 4.29 4.24 1na7A1 GLU 32 HB2 -0.02 0.03 0.06 -0.04 2.09 2.12 1na7A1 GLU 32 HB3 -0.04 0.02 0.07 -0.04 1.99 1.99 1na7A1 GLU 32 HG2 -0.10 -0.03 0.20 -0.04 2.34 2.37 1na7A1 GLU 32 HG3 -0.07 -0.02 0.14 -0.04 2.34 2.35 1na7A1 TRP 33 H 0.34 0.15 0.14 -0.55 7.97 8.06 1na7A1 TRP 33 HA 0.00 0.25 0.59 -0.75 4.62 4.71 1na7A1 TRP 33 HB2 0.00 -0.03 0.08 -0.04 3.23 3.23 1na7A1 TRP 33 HB3 0.01 -0.05 0.16 -0.04 3.23 3.31 1na7A1 TRP 33 HD1 -0.01 -0.01 0.15 -0.04 7.22 7.31 1na7A1 TRP 33 HE1 -0.01 -0.01 0.05 -0.04 10.20 10.19 1na7A1 TRP 33 HE3 0.01 -0.12 -0.36 -0.04 7.59 7.07 1na7A1 TRP 33 HZ2 0.01 0.00 -0.03 -0.04 7.44 7.38 1na7A1 TRP 33 HZ3 0.01 -0.01 -0.30 -0.04 7.13 6.79 1na7A1 TRP 33 HH2 0.02 -0.01 -0.09 -0.04 7.19 7.07 1na7A1 GLY 34 H 0.23 0.39 0.30 -0.55 8.43 8.80 1na7A1 GLY 34 HA2 0.11 0.23 0.85 -0.51 4.01 4.69 1na7A1 GLY 34 HA3 0.13 -0.02 0.30 -0.51 4.01 3.91 1na7A1 ASN 35 H 0.08 0.18 0.11 -0.55 8.53 8.36 1na7A1 ASN 35 HA 0.07 0.15 0.82 -0.75 4.76 5.05 1na7A1 ASN 35 HB2 0.00 0.03 0.16 -0.04 2.88 3.03 1na7A1 ASN 35 HB3 -0.00 -0.08 0.01 -0.04 2.79 2.68 1na7A1 ASN 35 HD21 0.01 0.05 -0.01 -0.04 7.03 7.04 1na7A1 ASN 35 HD22 -0.01 -0.00 -0.00 -0.04 7.74 7.69 1na7A1 GLN 36 H 0.08 0.27 0.25 -0.55 8.47 8.52 1na7A1 GLN 36 HA 0.21 0.04 0.35 -0.75 4.36 4.21 1na7A1 GLN 36 HB2 0.08 0.03 0.21 -0.04 2.15 2.43 1na7A1 GLN 36 HB3 0.04 -0.03 0.18 -0.04 2.02 2.17 1na7A1 GLN 36 HG2 0.08 -0.08 0.05 -0.04 2.40 2.41 1na7A1 GLN 36 HG3 0.03 0.23 0.16 -0.04 2.39 2.77 1na7A1 GLN 36 HE21 0.01 0.02 -0.04 -0.04 6.97 6.93 1na7A1 GLN 36 HE22 0.03 -0.04 0.01 -0.04 7.69 7.65 1na7A1 ASP 37 H 0.01 0.05 -0.24 -0.55 8.40 7.67 1na7A1 ASP 37 HA -0.01 0.15 0.39 -0.75 4.63 4.40 1na7A1 ASP 37 HB2 -0.03 0.05 0.08 -0.04 2.71 2.76 1na7A1 ASP 37 HB3 -0.02 0.01 0.08 -0.04 2.70 2.73 1na7A1 ASP 38 H -0.16 0.40 -0.53 -0.55 8.40 7.56 1na7A1 ASP 38 HA -0.23 0.13 0.58 -0.75 4.63 4.35 1na7A1 ASP 38 HB2 -0.74 0.15 0.04 -0.04 2.71 2.12 1na7A1 ASP 38 HB3 -0.60 -0.13 0.08 -0.04 2.70 2.02 1na7A1 TYR 39 H -0.10 0.44 -0.19 -0.55 8.29 7.89 1na7A1 TYR 39 HA 0.00 0.29 1.07 -0.75 4.56 5.17 1na7A1 TYR 39 HB2 -0.00 0.05 0.00 -0.04 3.06 3.07 1na7A1 TYR 39 HB3 0.00 -0.06 -0.15 -0.04 2.98 2.73 1na7A1 TYR 39 HD2 0.01 0.03 -0.19 -0.04 7.15 6.96 1na7A1 TYR 39 HE2 0.01 0.00 -0.18 -0.04 6.85 6.64 1na7A1 GLN 40 H 0.09 0.45 0.27 -0.55 8.47 8.73 1na7A1 GLN 40 HA 0.02 0.14 0.90 -0.75 4.36 4.66 1na7A1 GLN 40 HB2 0.01 0.01 0.04 -0.04 2.15 2.16 1na7A1 GLN 40 HB3 0.02 -0.01 0.07 -0.04 2.02 2.06 1na7A1 GLN 40 HG2 0.00 0.03 0.02 -0.04 2.40 2.42 1na7A1 GLN 40 HG3 -0.00 0.04 0.01 -0.04 2.39 2.39 1na7A1 GLN 40 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.90 1na7A1 GLN 40 HE22 -0.01 0.03 -0.03 -0.04 7.69 7.64 1na7A1 LEU 41 H -0.01 0.14 0.09 -0.55 8.37 8.04 1na7A1 LEU 41 HA 0.04 0.05 0.54 -0.75 4.35 4.22 1na7A1 LEU 41 HB2 -0.09 -0.02 0.07 -0.04 1.64 1.55 1na7A1 LEU 41 HB3 -0.09 0.12 -0.01 -0.04 1.64 1.62 1na7A1 LEU 41 HG -0.12 -0.00 -0.01 -0.04 1.64 1.46 1na7A1 LEU 41 HD13 -0.66 -0.00 -0.05 -0.04 0.93 0.18 1na7A1 LEU 41 HD23 -0.11 -0.02 -0.17 -0.04 0.89 0.55 1na7A1 VAL 42 H 0.10 1.05 0.53 -0.55 8.24 9.37 1na7A1 VAL 42 HA 0.06 0.06 0.88 -0.75 4.13 4.37 1na7A1 VAL 42 HB 0.06 -0.01 0.03 -0.04 2.12 2.15 1na7A1 VAL 42 HG13 0.04 -0.02 -0.07 -0.04 0.97 0.88 1na7A1 VAL 42 HG23 0.03 0.01 -0.21 -0.04 0.95 0.75 1na7A1 ARG 43 H 0.08 0.09 0.10 -0.55 8.46 8.18 1na7A1 ARG 43 HA 0.10 0.03 0.34 -0.75 4.34 4.06 1na7A1 ARG 43 HB2 0.06 -0.09 0.21 -0.04 1.90 2.04 1na7A1 ARG 43 HB3 0.06 0.00 0.05 -0.04 1.80 1.87 1na7A1 ARG 43 HG2 0.07 -0.07 -0.50 -0.04 1.67 1.13 1na7A1 ARG 43 HG3 0.08 0.08 -0.05 -0.04 1.67 1.74 1na7A1 ARG 43 HD2 0.04 0.03 -0.05 -0.04 3.22 3.20 1na7A1 ARG 43 HD3 0.04 -0.01 -0.04 -0.04 3.22 3.17 1na7A1 LYS 44 H 0.05 0.23 0.19 -0.55 8.42 8.33 1na7A1 LYS 44 HA -0.09 0.09 0.98 -0.75 4.32 4.54 1na7A1 LYS 44 HB2 0.06 0.01 -0.16 -0.04 1.87 1.74 1na7A1 LYS 44 HB3 -0.02 -0.04 0.09 -0.04 1.79 1.78 1na7A1 LYS 44 HG2 -0.22 0.04 -0.31 -0.04 1.46 0.92 1na7A1 LYS 44 HG3 -0.76 0.02 -0.02 -0.04 1.46 0.67 1na7A1 LYS 44 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.55 1na7A1 LYS 44 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.53 1na7A1 LYS 44 HE2 -0.03 -0.02 -0.04 -0.04 2.99 2.86 1na7A1 LYS 44 HE3 -0.10 0.01 -0.13 -0.04 2.99 2.73 1na7A1 LEU 45 H -0.14 0.40 0.38 -0.55 8.37 8.46 1na7A1 LEU 45 HA -0.03 0.14 0.76 -0.75 4.35 4.47 1na7A1 LEU 45 HB2 -0.02 -0.08 0.04 -0.04 1.64 1.53 1na7A1 LEU 45 HB3 -0.01 -0.01 -0.02 -0.04 1.64 1.56 1na7A1 LEU 45 HG 0.05 -0.07 -0.08 -0.04 1.64 1.50 1na7A1 LEU 45 HD13 0.07 0.01 -0.08 -0.04 0.93 0.88 1na7A1 LEU 45 HD23 0.03 0.02 -0.10 -0.04 0.89 0.80 1na7A1 GLY 46 H -0.12 0.17 0.26 -0.55 8.43 8.19 1na7A1 GLY 46 HA2 -0.05 0.27 0.91 -0.51 4.01 4.64 1na7A1 GLY 46 HA3 -0.05 -0.03 0.31 -0.51 4.01 3.73 1na7A1 ARG 47 H -0.03 0.24 -0.07 -0.55 8.46 8.05 1na7A1 ARG 47 HA -0.05 0.12 0.80 -0.75 4.34 4.46 1na7A1 ARG 47 HB2 -0.05 0.05 -0.24 -0.04 1.90 1.62 1na7A1 ARG 47 HB3 -0.02 0.02 0.22 -0.04 1.80 1.98 1na7A1 ARG 47 HG2 -0.04 0.02 0.12 -0.04 1.67 1.73 1na7A1 ARG 47 HG3 -0.02 0.03 0.02 -0.04 1.67 1.65 1na7A1 ARG 47 HD2 -0.00 0.03 0.03 -0.04 3.22 3.24 1na7A1 ARG 47 HD3 -0.00 -0.09 0.01 -0.04 3.22 3.09 1na7A1 GLY 48 H 0.01 0.24 0.03 -0.55 8.43 8.16 1na7A1 GLY 48 HA2 0.03 0.13 0.41 -0.51 4.01 4.07 1na7A1 GLY 48 HA3 0.05 -0.01 0.34 -0.51 4.01 3.88 1na7A1 LYS 49 H 0.02 0.19 -0.29 -0.55 8.42 7.79 1na7A1 LYS 49 HA -0.02 0.04 0.29 -0.75 4.32 3.87 1na7A1 LYS 49 HB2 0.05 0.29 0.21 -0.04 1.87 2.37 1na7A1 LYS 49 HB3 -0.04 -0.01 0.18 -0.04 1.79 1.88 1na7A1 LYS 49 HG2 0.02 0.03 -0.33 -0.04 1.46 1.14 1na7A1 LYS 49 HG3 0.01 -0.00 -0.05 -0.04 1.46 1.38 1na7A1 LYS 49 HD2 -0.00 -0.06 0.00 -0.04 1.69 1.59 1na7A1 LYS 49 HD3 0.01 0.02 -0.00 -0.04 1.68 1.66 1na7A1 LYS 49 HE2 -0.03 -0.00 0.06 -0.04 2.99 2.97 1na7A1 LYS 49 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.95 1na7A1 TYR 50 H 0.11 -0.40 -0.52 -0.55 8.29 6.92 1na7A1 TYR 50 HA 0.02 0.19 0.64 -0.75 4.56 4.66 1na7A1 TYR 50 HB2 0.00 0.07 -0.16 -0.04 3.06 2.94 1na7A1 TYR 50 HB3 0.01 -0.05 -0.05 -0.04 2.98 2.85 1na7A1 TYR 50 HD2 0.01 -0.01 0.00 -0.04 7.15 7.11 1na7A1 TYR 50 HE2 0.01 0.01 0.03 -0.04 6.85 6.86 1na7A1 SER 51 H 0.09 -0.16 0.14 -0.55 8.46 7.99 1na7A1 SER 51 HA 0.10 0.16 0.60 -0.75 4.49 4.59 1na7A1 SER 51 HB2 0.11 0.06 -0.08 -0.04 3.95 3.99 1na7A1 SER 51 HB3 0.12 0.18 -0.16 -0.04 3.93 4.03 1na7A1 GLU 52 H 0.11 0.75 0.26 -0.55 8.60 9.18 1na7A1 GLU 52 HA -0.06 0.09 0.81 -0.75 4.29 4.37 1na7A1 GLU 52 HB2 -0.08 0.06 0.05 -0.04 2.09 2.08 1na7A1 GLU 52 HB3 0.05 0.01 0.00 -0.04 1.99 2.01 1na7A1 GLU 52 HG2 0.19 0.42 0.26 -0.04 2.34 3.17 1na7A1 GLU 52 HG3 0.52 -0.07 0.03 -0.04 2.34 2.77 1na7A1 VAL 53 H -0.20 0.50 0.16 -0.55 8.24 8.15 1na7A1 VAL 53 HA 0.09 0.39 1.26 -0.75 4.13 5.11 1na7A1 VAL 53 HB -0.06 -0.31 0.21 -0.04 2.12 1.92 1na7A1 VAL 53 HG13 0.05 0.04 -0.09 -0.04 0.97 0.93 1na7A1 VAL 53 HG23 0.01 -0.00 -0.20 -0.04 0.95 0.72 1na7A1 PHE 54 H 0.30 0.85 0.46 -0.55 8.34 9.39 1na7A1 PHE 54 HA 0.05 -0.00 1.21 -0.75 4.62 5.12 1na7A1 PHE 54 HB2 0.05 -0.10 -0.01 -0.04 3.15 3.05 1na7A1 PHE 54 HB3 0.05 0.26 0.10 -0.04 3.06 3.42 1na7A1 PHE 54 HD2 0.04 0.24 -0.06 -0.04 7.28 7.47 1na7A1 PHE 54 HE2 0.04 -0.01 -0.12 -0.04 7.38 7.25 1na7A1 PHE 54 HZ 0.03 -0.00 -0.08 -0.04 7.32 7.23 1na7A1 GLU 55 H 0.19 0.41 0.24 -0.55 8.60 8.89 1na7A1 GLU 55 HA 0.14 0.16 0.94 -0.75 4.29 4.77 1na7A1 GLU 55 HB2 0.11 -0.08 0.11 -0.04 2.09 2.19 1na7A1 GLU 55 HB3 0.10 0.20 0.22 -0.04 1.99 2.47 1na7A1 GLU 55 HG2 0.04 0.06 -0.14 -0.04 2.34 2.26 1na7A1 GLU 55 HG3 0.03 0.01 0.12 -0.04 2.34 2.46 1na7A1 ALA 56 H 0.09 0.76 0.39 -0.55 8.40 9.09 1na7A1 ALA 56 HA 0.07 0.19 0.97 -0.75 4.34 4.83 1na7A1 ALA 56 HB3 0.10 -0.06 -0.24 -0.04 1.41 1.16 1na7A1 ILE 57 H 0.10 0.24 0.20 -0.55 8.25 8.23 1na7A1 ILE 57 HA 0.05 0.29 0.82 -0.75 4.18 4.60 1na7A1 ILE 57 HB 0.02 0.05 -0.21 -0.04 1.89 1.71 1na7A1 ILE 57 HG12 0.01 -0.10 -0.61 -0.04 1.49 0.75 1na7A1 ILE 57 HG13 0.01 0.04 -0.31 -0.04 1.21 0.91 1na7A1 ILE 57 HG23 0.03 0.07 0.05 -0.04 0.93 1.03 1na7A1 ILE 57 HD13 0.00 0.00 -0.15 -0.04 0.88 0.70 1na7A1 ASN 58 H 0.08 0.79 0.21 -0.55 8.53 9.06 1na7A1 ASN 58 HA -0.05 0.33 0.76 -0.75 4.76 5.04 1na7A1 ASN 58 HB2 0.22 0.08 0.04 -0.04 2.88 3.18 1na7A1 ASN 58 HB3 0.06 -0.10 0.24 -0.04 2.79 2.95 1na7A1 ASN 58 HD21 0.01 0.02 -0.05 -0.04 7.03 6.98 1na7A1 ASN 58 HD22 0.38 0.03 -0.08 -0.04 7.74 8.04 1na7A1 ILE 59 H -0.09 0.62 0.28 -0.55 8.25 8.50 1na7A1 ILE 59 HA -0.03 0.00 0.33 -0.75 4.18 3.73 1na7A1 ILE 59 HB -0.04 -0.00 0.13 -0.04 1.89 1.94 1na7A1 ILE 59 HG12 -0.08 0.09 -0.06 -0.04 1.49 1.39 1na7A1 ILE 59 HG13 -0.13 0.01 0.05 -0.04 1.21 1.11 1na7A1 ILE 59 HG23 -0.02 0.03 -0.01 -0.04 0.93 0.89 1na7A1 ILE 59 HD13 -0.06 -0.01 -0.14 -0.04 0.88 0.63 1na7A1 THR 60 H -0.09 0.03 -0.74 -0.55 8.28 6.93 1na7A1 THR 60 HA -0.05 0.15 0.59 -0.75 4.39 4.33 1na7A1 THR 60 HB -0.06 -0.02 0.00 -0.04 4.32 4.21 1na7A1 THR 60 HG23 -0.03 0.01 -0.02 -0.04 1.22 1.14 1na7A1 ASN 61 H -0.02 0.28 0.05 -0.55 8.53 8.30 1na7A1 ASN 61 HA -0.01 0.21 0.72 -0.75 4.76 4.93 1na7A1 ASN 61 HB2 0.01 0.02 0.09 -0.04 2.88 2.95 1na7A1 ASN 61 HB3 0.00 0.04 -0.11 -0.04 2.79 2.68 1na7A1 ASN 61 HD21 0.04 -0.00 -0.05 -0.04 7.03 6.97 1na7A1 ASN 61 HD22 0.01 0.04 -0.09 -0.04 7.74 7.66 1na7A1 ASN 62 H -0.01 0.12 0.08 -0.55 8.53 8.18 1na7A1 ASN 62 HA -0.00 -0.04 0.18 -0.75 4.76 4.15 1na7A1 ASN 62 HB2 -0.00 0.14 -0.17 -0.04 2.88 2.81 1na7A1 ASN 62 HB3 -0.00 -0.03 0.14 -0.04 2.79 2.85 1na7A1 ASN 62 HD21 -0.01 0.03 -0.12 -0.04 7.03 6.90 1na7A1 ASN 62 HD22 -0.00 0.02 -0.28 -0.04 7.74 7.44 1na7A1 GLU 63 H 0.02 0.15 -0.01 -0.55 8.60 8.21 1na7A1 GLU 63 HA 0.00 0.21 0.92 -0.75 4.29 4.67 1na7A1 GLU 63 HB2 0.03 -0.08 -0.07 -0.04 2.09 1.93 1na7A1 GLU 63 HB3 0.04 0.09 -0.07 -0.04 1.99 2.01 1na7A1 GLU 63 HG2 0.02 -0.04 0.05 -0.04 2.34 2.33 1na7A1 GLU 63 HG3 0.01 0.15 -0.02 -0.04 2.34 2.44 1na7A1 LYS 64 H -0.03 0.13 0.13 -0.55 8.42 8.09 1na7A1 LYS 64 HA -0.05 0.23 0.65 -0.75 4.32 4.39 1na7A1 LYS 64 HB2 -0.28 -0.04 0.08 -0.04 1.87 1.59 1na7A1 LYS 64 HB3 -0.63 0.03 0.03 -0.04 1.79 1.18 1na7A1 LYS 64 HG2 -0.12 0.00 -0.00 -0.04 1.46 1.30 1na7A1 LYS 64 HG3 -0.17 -0.01 0.03 -0.04 1.46 1.27 1na7A1 LYS 64 HD2 -0.62 -0.03 -0.02 -0.04 1.69 0.97 1na7A1 LYS 64 HD3 -0.22 0.07 0.02 -0.04 1.68 1.52 1na7A1 LYS 64 HE2 -0.05 0.00 -0.04 -0.04 2.99 2.86 1na7A1 LYS 64 HE3 -0.06 0.01 -0.03 -0.04 2.99 2.86 1na7A1 VAL 65 H 0.02 0.47 0.28 -0.55 8.24 8.46 1na7A1 VAL 65 HA 0.13 0.37 0.64 -0.75 4.13 4.51 1na7A1 VAL 65 HB 0.05 0.16 0.09 -0.04 2.12 2.38 1na7A1 VAL 65 HG13 0.14 0.02 -0.35 -0.04 0.97 0.73 1na7A1 VAL 65 HG23 0.07 -0.06 -0.46 -0.04 0.95 0.46 1na7A1 VAL 66 H 0.17 0.50 0.27 -0.55 8.24 8.63 1na7A1 VAL 66 HA 0.17 0.28 1.18 -0.75 4.13 5.00 1na7A1 VAL 66 HB 0.24 -0.06 0.11 -0.04 2.12 2.36 1na7A1 VAL 66 HG13 0.15 -0.01 -0.16 -0.04 0.97 0.91 1na7A1 VAL 66 HG23 0.19 0.01 -0.07 -0.04 0.95 1.03 1na7A1 VAL 67 H 0.18 0.61 0.30 -0.55 8.24 8.79 1na7A1 VAL 67 HA 0.06 0.44 1.12 -0.75 4.13 4.99 1na7A1 VAL 67 HB 0.01 0.01 -0.14 -0.04 2.12 1.96 1na7A1 VAL 67 HG13 -0.02 0.01 -0.28 -0.04 0.97 0.64 1na7A1 VAL 67 HG23 0.19 -0.01 -0.12 -0.04 0.95 0.96 1na7A1 LYS 68 H 0.13 0.67 0.26 -0.55 8.42 8.92 1na7A1 LYS 68 HA 0.20 0.24 1.00 -0.75 4.32 5.01 1na7A1 LYS 68 HB2 0.33 -0.01 -0.07 -0.04 1.87 2.08 1na7A1 LYS 68 HB3 0.29 -0.03 0.21 -0.04 1.79 2.22 1na7A1 LYS 68 HG2 0.16 0.01 -0.21 -0.04 1.46 1.38 1na7A1 LYS 68 HG3 0.13 -0.03 -0.14 -0.04 1.46 1.38 1na7A1 LYS 68 HD2 0.11 -0.03 -0.09 -0.04 1.69 1.65 1na7A1 LYS 68 HD3 0.29 0.02 -0.07 -0.04 1.68 1.88 1na7A1 LYS 68 HE2 0.11 0.07 -0.11 -0.04 2.99 3.01 1na7A1 LYS 68 HE3 0.07 -0.04 -0.14 -0.04 2.99 2.84 1na7A1 ILE 69 H 0.25 0.60 0.25 -0.55 8.25 8.81 1na7A1 ILE 69 HA 0.12 0.20 0.85 -0.75 4.18 4.60 1na7A1 ILE 69 HB 0.25 -0.05 0.13 -0.04 1.89 2.18 1na7A1 ILE 69 HG12 0.07 0.01 -0.10 -0.04 1.49 1.42 1na7A1 ILE 69 HG13 0.22 -0.02 -0.11 -0.04 1.21 1.27 1na7A1 ILE 69 HG23 0.10 0.04 -0.14 -0.04 0.93 0.88 1na7A1 ILE 69 HD13 -0.06 -0.01 -0.06 -0.04 0.88 0.71 1na7A1 LEU 70 H 0.11 0.55 0.22 -0.55 8.37 8.70 1na7A1 LEU 70 HA 0.12 -0.01 0.66 -0.75 4.35 4.36 1na7A1 LEU 70 HB2 0.11 -0.01 0.07 -0.04 1.64 1.78 1na7A1 LEU 70 HB3 0.11 0.10 0.07 -0.04 1.64 1.88 1na7A1 LEU 70 HG 0.11 0.00 -0.02 -0.04 1.64 1.69 1na7A1 LEU 70 HD13 0.08 -0.00 -0.02 -0.04 0.93 0.95 1na7A1 LEU 70 HD23 0.11 -0.02 -0.04 -0.04 0.89 0.90 1na7A1 LYS 71 H 0.11 0.43 0.09 -0.55 8.42 8.49 1na7A1 LYS 71 HA 0.06 0.12 0.45 -0.75 4.32 4.19 1na7A1 LYS 71 HB2 0.04 -0.12 -0.34 -0.04 1.87 1.40 1na7A1 LYS 71 HB3 -0.01 0.01 -0.19 -0.04 1.79 1.57 1na7A1 LYS 71 HG2 0.03 0.06 -0.03 -0.04 1.46 1.47 1na7A1 LYS 71 HG3 0.01 -0.08 -0.18 -0.04 1.46 1.17 1na7A1 LYS 71 HD2 -0.06 0.01 -0.13 -0.04 1.69 1.47 1na7A1 LYS 71 HD3 -0.04 0.01 -0.18 -0.04 1.68 1.43 1na7A1 LYS 71 HE2 0.00 0.04 -0.04 -0.04 2.99 2.95 1na7A1 LYS 71 HE3 0.00 -0.03 -0.06 -0.04 2.99 2.87 1na7A1 PRO 72 HA 0.07 0.08 0.30 -0.51 4.44 4.38 1na7A1 PRO 72 HB2 0.03 0.00 0.20 -0.04 2.28 2.47 1na7A1 PRO 72 HB3 0.04 0.03 0.14 -0.04 2.02 2.19 1na7A1 PRO 72 HG2 0.03 0.05 0.08 -0.04 2.03 2.15 1na7A1 PRO 72 HG3 0.05 0.11 0.07 -0.04 2.03 2.21 1na7A1 PRO 72 HD2 0.02 0.09 0.07 -0.04 3.68 3.82 1na7A1 PRO 72 HD3 0.04 0.10 0.20 -0.04 3.65 3.95 1na7A1 VAL 73 H 0.08 0.69 -0.04 -0.55 8.24 8.42 1na7A1 VAL 73 HA 0.05 0.23 1.19 -0.75 4.13 4.85 1na7A1 VAL 73 HB 0.12 0.04 0.17 -0.04 2.12 2.42 1na7A1 VAL 73 HG13 0.12 -0.01 -0.00 -0.04 0.97 1.04 1na7A1 VAL 73 HG23 -0.09 -0.00 -0.12 -0.04 0.95 0.69 1na7A1 LYS 74 H 0.07 0.21 -0.05 -0.55 8.42 8.09 1na7A1 LYS 74 HA 0.07 -0.01 0.47 -0.75 4.32 4.10 1na7A1 LYS 74 HB2 0.10 0.41 -0.06 -0.04 1.87 2.28 1na7A1 LYS 74 HB3 0.09 -0.19 0.17 -0.04 1.79 1.82 1na7A1 LYS 74 HG2 0.07 0.01 0.03 -0.04 1.46 1.52 1na7A1 LYS 74 HG3 0.07 0.00 -0.15 -0.04 1.46 1.34 1na7A1 LYS 74 HD2 0.08 -0.04 0.01 -0.04 1.69 1.70 1na7A1 LYS 74 HD3 0.07 0.03 -0.01 -0.04 1.68 1.73 1na7A1 LYS 74 HE2 0.08 -0.00 -0.05 -0.04 2.99 2.98 1na7A1 LYS 74 HE3 0.12 0.08 -0.06 -0.04 2.99 3.08 1na7A1 LYS 75 H 0.08 0.20 0.13 -0.55 8.42 8.27 1na7A1 LYS 75 HA 0.10 0.06 0.27 -0.75 4.32 3.99 1na7A1 LYS 75 HB2 0.10 0.07 0.13 -0.04 1.87 2.13 1na7A1 LYS 75 HB3 0.08 0.00 0.17 -0.04 1.79 2.00 1na7A1 LYS 75 HG2 0.08 -0.03 -0.02 -0.04 1.46 1.44 1na7A1 LYS 75 HG3 0.10 0.06 -0.55 -0.04 1.46 1.03 1na7A1 LYS 75 HD2 0.07 0.03 -0.02 -0.04 1.69 1.73 1na7A1 LYS 75 HD3 0.09 0.07 -0.04 -0.04 1.68 1.76 1na7A1 LYS 75 HE2 0.10 -0.04 0.04 -0.04 2.99 3.05 1na7A1 LYS 75 HE3 0.07 -0.02 0.03 -0.04 2.99 3.03 1na7A1 ASN 76 H 0.10 -0.04 -0.79 -0.55 8.53 7.25 1na7A1 ASN 76 HA 0.21 0.11 0.54 -0.75 4.76 4.86 1na7A1 ASN 76 HB2 0.12 -0.05 0.06 -0.04 2.88 2.98 1na7A1 ASN 76 HB3 0.21 0.06 -0.03 -0.04 2.79 2.99 1na7A1 ASN 76 HD21 0.07 0.01 0.01 -0.04 7.03 7.08 1na7A1 ASN 76 HD22 0.22 0.03 0.01 -0.04 7.74 7.96 1na7A1 LYS 77 H 0.09 0.68 0.24 -0.55 8.42 8.88 1na7A1 LYS 77 HA -0.02 0.13 0.69 -0.75 4.32 4.37 1na7A1 LYS 77 HB2 0.08 0.15 0.19 -0.04 1.87 2.24 1na7A1 LYS 77 HB3 0.00 0.04 0.17 -0.04 1.79 1.97 1na7A1 LYS 77 HG2 0.05 -0.01 0.06 -0.04 1.46 1.52 1na7A1 LYS 77 HG3 0.09 -0.06 0.15 -0.04 1.46 1.59 1na7A1 LYS 77 HD2 0.09 -0.06 0.05 -0.04 1.69 1.73 1na7A1 LYS 77 HD3 0.14 0.07 0.10 -0.04 1.68 1.95 1na7A1 LYS 77 HE2 -0.02 0.04 0.08 -0.04 2.99 3.04 1na7A1 LYS 77 HE3 -0.04 -0.03 0.04 -0.04 2.99 2.92 1na7A1 ILE 78 H 0.07 0.24 -0.29 -0.55 8.25 7.72 1na7A1 ILE 78 HA 0.03 0.13 0.62 -0.75 4.18 4.21 1na7A1 ILE 78 HB 0.08 0.02 -0.01 -0.04 1.89 1.94 1na7A1 ILE 78 HG12 0.04 -0.04 -0.39 -0.04 1.49 1.05 1na7A1 ILE 78 HG13 0.08 -0.02 -0.05 -0.04 1.21 1.17 1na7A1 ILE 78 HG23 0.09 0.09 -0.12 -0.04 0.93 0.95 1na7A1 ILE 78 HD13 0.10 0.02 -0.08 -0.04 0.88 0.89 1na7A1 LYS 79 H 0.08 0.46 -0.07 -0.55 8.42 8.34 1na7A1 LYS 79 HA 0.03 0.06 0.68 -0.75 4.32 4.33 1na7A1 LYS 79 HB2 0.18 0.11 0.09 -0.04 1.87 2.21 1na7A1 LYS 79 HB3 0.12 -0.05 0.06 -0.04 1.79 1.89 1na7A1 LYS 79 HG2 0.15 0.38 0.32 -0.04 1.46 2.27 1na7A1 LYS 79 HG3 0.26 -0.00 -0.03 -0.04 1.46 1.65 1na7A1 LYS 79 HD2 0.12 -0.12 0.05 -0.04 1.69 1.71 1na7A1 LYS 79 HD3 0.12 -0.11 -0.03 -0.04 1.68 1.62 1na7A1 LYS 79 HE2 0.12 0.11 0.08 -0.04 2.99 3.27 1na7A1 LYS 79 HE3 0.15 -0.06 0.03 -0.04 2.99 3.07 1na7A1 ARG 80 H -0.11 0.21 -0.45 -0.55 8.46 7.56 1na7A1 ARG 80 HA -0.57 0.03 0.46 -0.75 4.34 3.51 1na7A1 ARG 80 HB2 -1.12 0.13 0.19 -0.04 1.90 1.05 1na7A1 ARG 80 HB3 -0.31 0.11 0.16 -0.04 1.80 1.71 1na7A1 ARG 80 HG2 -0.22 0.04 -0.16 -0.04 1.67 1.29 1na7A1 ARG 80 HG3 -0.80 -0.09 0.07 -0.04 1.67 0.81 1na7A1 ARG 80 HD2 -0.01 -0.03 0.10 -0.04 3.22 3.24 1na7A1 ARG 80 HD3 -0.25 -0.09 0.06 -0.04 3.22 2.89 1na7A1 GLU 81 H -0.08 0.31 -0.25 -0.55 8.60 8.03 1na7A1 GLU 81 HA -0.03 0.15 0.37 -0.75 4.29 4.03 1na7A1 GLU 81 HB2 -0.01 0.20 0.16 -0.04 2.09 2.40 1na7A1 GLU 81 HB3 0.01 0.03 0.03 -0.04 1.99 2.03 1na7A1 GLU 81 HG2 0.10 -0.06 -0.09 -0.04 2.34 2.25 1na7A1 GLU 81 HG3 0.07 0.05 -0.61 -0.04 2.34 1.80 1na7A1 ILE 82 H -0.05 0.35 -0.29 -0.55 8.25 7.71 1na7A1 ILE 82 HA -0.08 -0.01 0.36 -0.75 4.18 3.70 1na7A1 ILE 82 HB -0.06 0.06 0.08 -0.04 1.89 1.93 1na7A1 ILE 82 HG12 -0.09 -0.09 -0.02 -0.04 1.49 1.26 1na7A1 ILE 82 HG13 -0.04 0.33 0.14 -0.04 1.21 1.60 1na7A1 ILE 82 HG23 -0.11 -0.01 -0.16 -0.04 0.93 0.61 1na7A1 ILE 82 HD13 -0.12 -0.04 -0.10 -0.04 0.88 0.59 1na7A1 LYS 83 H -0.12 0.46 -0.33 -0.55 8.42 7.87 1na7A1 LYS 83 HA -0.35 0.04 0.44 -0.75 4.32 3.70 1na7A1 LYS 83 HB2 -0.24 0.05 0.12 -0.04 1.87 1.76 1na7A1 LYS 83 HB3 0.06 0.07 0.11 -0.04 1.79 1.99 1na7A1 LYS 83 HG2 -0.08 -0.03 -0.17 -0.04 1.46 1.14 1na7A1 LYS 83 HG3 -0.01 0.06 -0.14 -0.04 1.46 1.33 1na7A1 LYS 83 HD2 -0.32 -0.10 0.08 -0.04 1.69 1.31 1na7A1 LYS 83 HD3 -0.57 -0.07 -0.02 -0.04 1.68 0.98 1na7A1 LYS 83 HE2 -0.15 0.27 0.01 -0.04 2.99 3.08 1na7A1 LYS 83 HE3 -0.21 0.04 0.05 -0.04 2.99 2.83 1na7A1 ILE 84 H -0.07 0.46 -0.22 -0.55 8.25 7.87 1na7A1 ILE 84 HA -0.20 0.08 0.38 -0.75 4.18 3.68 1na7A1 ILE 84 HB -0.11 0.11 0.14 -0.04 1.89 1.99 1na7A1 ILE 84 HG12 -0.62 -0.03 -0.07 -0.04 1.49 0.73 1na7A1 ILE 84 HG13 -0.05 0.28 0.05 -0.04 1.21 1.45 1na7A1 ILE 84 HG23 -0.25 -0.03 -0.19 -0.04 0.93 0.42 1na7A1 ILE 84 HD13 -0.18 -0.03 -0.29 -0.04 0.88 0.35 1na7A1 LEU 85 H -0.14 0.56 -0.17 -0.55 8.37 8.07 1na7A1 LEU 85 HA -0.35 0.02 0.34 -0.75 4.35 3.61 1na7A1 LEU 85 HB2 -0.09 0.11 0.10 -0.04 1.64 1.72 1na7A1 LEU 85 HB3 -0.06 -0.10 -0.02 -0.04 1.64 1.42 1na7A1 LEU 85 HG -0.03 0.21 0.03 -0.04 1.64 1.82 1na7A1 LEU 85 HD13 0.20 -0.06 -0.12 -0.04 0.93 0.91 1na7A1 LEU 85 HD23 -0.12 -0.04 -0.06 -0.04 0.89 0.63 1na7A1 GLU 86 H -0.14 0.41 -0.35 -0.55 8.60 7.97 1na7A1 GLU 86 HA -0.08 0.01 0.55 -0.75 4.29 4.02 1na7A1 GLU 86 HB2 -0.14 0.12 0.15 -0.04 2.09 2.19 1na7A1 GLU 86 HB3 -0.06 -0.04 0.03 -0.04 1.99 1.88 1na7A1 GLU 86 HG2 -0.07 -0.05 0.00 -0.04 2.34 2.18 1na7A1 GLU 86 HG3 -0.11 0.15 0.05 -0.04 2.34 2.39 1na7A1 ASN 87 H -0.14 0.46 -0.17 -0.55 8.53 8.14 1na7A1 ASN 87 HA -0.00 0.04 0.53 -0.75 4.76 4.57 1na7A1 ASN 87 HB2 -0.16 0.06 0.16 -0.04 2.88 2.90 1na7A1 ASN 87 HB3 -0.02 -0.04 0.03 -0.04 2.79 2.72 1na7A1 ASN 87 HD21 -0.45 0.30 0.04 -0.04 7.03 6.88 1na7A1 ASN 87 HD22 -0.17 -0.09 -0.05 -0.04 7.74 7.39 1na7A1 LEU 88 H -0.17 0.37 -0.29 -0.55 8.37 7.73 1na7A1 LEU 88 HA 0.12 0.16 0.63 -0.75 4.35 4.50 1na7A1 LEU 88 HB2 -0.42 0.04 0.00 -0.04 1.64 1.22 1na7A1 LEU 88 HB3 -0.18 -0.13 0.07 -0.04 1.64 1.36 1na7A1 LEU 88 HG -0.28 0.13 -0.07 -0.04 1.64 1.37 1na7A1 LEU 88 HD13 -0.82 -0.04 -0.10 -0.04 0.93 -0.07 1na7A1 LEU 88 HD23 -0.09 0.01 -0.13 -0.04 0.89 0.65 1na7A1 ARG 89 H -0.05 0.21 -0.59 -0.55 8.46 7.47 1na7A1 ARG 89 HA -0.06 -0.10 0.45 -0.75 4.34 3.88 1na7A1 ARG 89 HB2 -0.05 0.09 0.24 -0.04 1.90 2.14 1na7A1 ARG 89 HB3 -0.01 0.04 0.10 -0.04 1.80 1.88 1na7A1 ARG 89 HG2 -0.02 -0.02 0.02 -0.04 1.67 1.61 1na7A1 ARG 89 HG3 -0.02 -0.07 -0.03 -0.04 1.67 1.51 1na7A1 ARG 89 HD2 -0.03 -0.16 0.08 -0.04 3.22 3.08 1na7A1 ARG 89 HD3 -0.05 0.04 0.10 -0.04 3.22 3.27 1na7A1 GLY 90 H -0.05 0.07 0.20 -0.55 8.43 8.10 1na7A1 GLY 90 HA2 -0.07 -0.08 0.33 -0.51 4.01 3.69 1na7A1 GLY 90 HA3 -0.05 0.10 0.50 -0.51 4.01 4.05 1na7A1 GLY 91 H -0.14 0.54 -0.13 -0.55 8.43 8.15 1na7A1 GLY 91 HA2 -1.00 0.11 0.55 -0.51 4.01 3.16 1na7A1 GLY 91 HA3 -0.71 0.04 0.25 -0.51 4.01 3.08 1na7A1 PRO 92 HA -0.15 -0.01 0.42 -0.51 4.44 4.20 1na7A1 PRO 92 HB2 -0.14 -0.00 -0.04 -0.04 2.28 2.05 1na7A1 PRO 92 HB3 -0.13 0.01 0.04 -0.04 2.02 1.90 1na7A1 PRO 92 HG2 -0.18 0.03 0.07 -0.04 2.03 1.91 1na7A1 PRO 92 HG3 -0.22 0.06 0.08 -0.04 2.03 1.91 1na7A1 PRO 92 HD2 -0.85 0.08 0.17 -0.04 3.68 3.04 1na7A1 PRO 92 HD3 -0.98 0.20 0.24 -0.04 3.65 3.06 1na7A1 ASN 93 H -0.07 0.15 0.21 -0.55 8.53 8.27 1na7A1 ASN 93 HA -0.02 0.07 0.37 -0.75 4.76 4.43 1na7A1 ASN 93 HB2 -0.05 0.16 -0.05 -0.04 2.88 2.90 1na7A1 ASN 93 HB3 -0.03 -0.11 0.01 -0.04 2.79 2.62 1na7A1 ASN 93 HD21 -0.10 -0.02 -0.01 -0.04 7.03 6.86 1na7A1 ASN 93 HD22 -0.11 0.24 -0.02 -0.04 7.74 7.81 1na7A1 ILE 94 H -0.05 0.44 -0.34 -0.55 8.25 7.75 1na7A1 ILE 94 HA 0.18 0.08 0.78 -0.75 4.18 4.46 1na7A1 ILE 94 HB -0.08 0.06 0.00 -0.04 1.89 1.83 1na7A1 ILE 94 HG12 -0.04 0.06 -0.51 -0.04 1.49 0.96 1na7A1 ILE 94 HG13 0.01 0.02 -0.08 -0.04 1.21 1.12 1na7A1 ILE 94 HG23 -0.23 0.06 -0.11 -0.04 0.93 0.62 1na7A1 ILE 94 HD13 0.22 0.00 -0.06 -0.04 0.88 1.00 1na7A1 ILE 95 H 0.23 0.46 0.15 -0.55 8.25 8.53 1na7A1 ILE 95 HA 0.05 -0.04 0.31 -0.75 4.18 3.74 1na7A1 ILE 95 HB 0.06 0.06 -0.07 -0.04 1.89 1.90 1na7A1 ILE 95 HG12 -0.42 -0.07 -0.12 -0.04 1.49 0.85 1na7A1 ILE 95 HG13 0.08 0.03 -0.13 -0.04 1.21 1.14 1na7A1 ILE 95 HG23 0.12 -0.02 -0.07 -0.04 0.93 0.91 1na7A1 ILE 95 HD13 -0.04 -0.00 -0.14 -0.04 0.88 0.66 1na7A1 THR 96 H 0.09 0.02 0.16 -0.55 8.28 8.00 1na7A1 THR 96 HA 0.04 0.27 1.01 -0.75 4.39 4.95 1na7A1 THR 96 HB 0.00 0.02 0.08 -0.04 4.32 4.37 1na7A1 THR 96 HG23 0.04 -0.01 0.11 -0.04 1.22 1.32 1na7A1 LEU 97 H 0.03 0.27 0.12 -0.55 8.37 8.24 1na7A1 LEU 97 HA -0.20 0.02 0.61 -0.75 4.35 4.02 1na7A1 LEU 97 HB2 -0.06 -0.03 0.02 -0.04 1.64 1.53 1na7A1 LEU 97 HB3 -0.09 0.07 0.06 -0.04 1.64 1.63 1na7A1 LEU 97 HG -0.23 -0.00 -0.21 -0.04 1.64 1.16 1na7A1 LEU 97 HD13 -0.68 0.01 -0.01 -0.04 0.93 0.21 1na7A1 LEU 97 HD23 -0.16 -0.00 -0.09 -0.04 0.89 0.60 1na7A1 ALA 98 H -0.16 0.55 0.47 -0.55 8.40 8.71 1na7A1 ALA 98 HA -0.03 0.16 0.72 -0.75 4.34 4.44 1na7A1 ALA 98 HB3 -0.00 -0.02 -0.08 -0.04 1.41 1.26 1na7A1 ASP 99 H -0.21 0.39 0.27 -0.55 8.40 8.31 1na7A1 ASP 99 HA -0.06 0.18 0.52 -0.75 4.63 4.52 1na7A1 ASP 99 HB2 0.04 0.04 -0.49 -0.04 2.71 2.26 1na7A1 ASP 99 HB3 -0.13 -0.08 -0.15 -0.04 2.70 2.30 1na7A1 ILE 100 H -0.04 0.24 0.06 -0.55 8.25 7.96 1na7A1 ILE 100 HA -0.12 0.25 0.82 -0.75 4.18 4.37 1na7A1 ILE 100 HB -0.22 0.05 -0.03 -0.04 1.89 1.65 1na7A1 ILE 100 HG12 -0.58 -0.01 -0.14 -0.04 1.49 0.72 1na7A1 ILE 100 HG13 -0.53 -0.06 -0.34 -0.04 1.21 0.24 1na7A1 ILE 100 HG23 -0.22 0.00 -0.07 -0.04 0.93 0.60 1na7A1 ILE 100 HD13 -0.13 0.04 -0.12 -0.04 0.88 0.63 1na7A1 VAL 101 H 0.06 0.58 0.23 -0.55 8.24 8.56 1na7A1 VAL 101 HA 0.40 0.17 0.93 -0.75 4.13 4.87 1na7A1 VAL 101 HB 0.18 -0.03 0.02 -0.04 2.12 2.25 1na7A1 VAL 101 HG13 0.24 -0.00 -0.54 -0.04 0.97 0.62 1na7A1 VAL 101 HG23 0.10 0.03 -0.21 -0.04 0.95 0.82 1na7A1 LYS 102 H 0.17 0.17 0.15 -0.55 8.42 8.36 1na7A1 LYS 102 HA 0.19 0.18 0.69 -0.75 4.32 4.63 1na7A1 LYS 102 HB2 -0.53 -0.01 -0.01 -0.04 1.87 1.28 1na7A1 LYS 102 HB3 -0.16 -0.05 0.04 -0.04 1.79 1.59 1na7A1 LYS 102 HG2 -0.09 0.07 -0.26 -0.04 1.46 1.13 1na7A1 LYS 102 HG3 -0.39 0.04 -0.15 -0.04 1.46 0.92 1na7A1 LYS 102 HD2 -0.14 -0.05 -0.20 -0.04 1.69 1.26 1na7A1 LYS 102 HD3 -0.18 0.08 -0.06 -0.04 1.68 1.48 1na7A1 LYS 102 HE2 -0.49 0.02 -0.03 -0.04 2.99 2.45 1na7A1 LYS 102 HE3 -0.39 -0.07 -0.02 -0.04 2.99 2.47 1na7A1 ASP 103 H 0.07 0.64 0.10 -0.55 8.40 8.67 1na7A1 ASP 103 HA 0.02 0.14 0.60 -0.75 4.63 4.64 1na7A1 ASP 103 HB2 0.04 0.08 -0.00 -0.04 2.71 2.79 1na7A1 ASP 103 HB3 0.03 -0.11 0.08 -0.04 2.70 2.67 1na7A1 PRO 104 HA -0.03 0.12 0.37 -0.51 4.44 4.40 1na7A1 PRO 104 HB2 -0.01 -0.03 0.10 -0.04 2.28 2.29 1na7A1 PRO 104 HB3 -0.02 0.06 0.07 -0.04 2.02 2.09 1na7A1 PRO 104 HG2 -0.01 0.05 0.09 -0.04 2.03 2.12 1na7A1 PRO 104 HG3 -0.01 0.07 0.09 -0.04 2.03 2.13 1na7A1 PRO 104 HD2 -0.01 0.02 0.21 -0.04 3.68 3.86 1na7A1 PRO 104 HD3 0.01 0.25 0.32 -0.04 3.65 4.19 1na7A1 VAL 105 H -0.01 0.07 -0.07 -0.55 8.24 7.67 1na7A1 VAL 105 HA -0.00 0.14 0.41 -0.75 4.13 3.92 1na7A1 VAL 105 HB -0.01 -0.09 0.08 -0.04 2.12 2.05 1na7A1 VAL 105 HG13 0.01 0.02 -0.16 -0.04 0.97 0.80 1na7A1 VAL 105 HG23 -0.01 0.01 0.02 -0.04 0.95 0.93 1na7A1 SER 106 H 0.01 -0.01 -0.12 -0.55 8.46 7.80 1na7A1 SER 106 HA 0.02 0.18 0.57 -0.75 4.49 4.51 1na7A1 SER 106 HB2 0.05 0.07 0.04 -0.04 3.95 4.07 1na7A1 SER 106 HB3 0.05 -0.01 0.01 -0.04 3.93 3.94 1na7A1 ARG 107 H 0.00 0.31 -0.37 -0.55 8.46 7.85 1na7A1 ARG 107 HA -0.03 0.14 0.28 -0.75 4.34 3.97 1na7A1 ARG 107 HB2 -0.00 0.05 -0.53 -0.04 1.90 1.37 1na7A1 ARG 107 HB3 -0.01 -0.03 0.11 -0.04 1.80 1.84 1na7A1 ARG 107 HG2 -0.03 -0.05 0.00 -0.04 1.67 1.56 1na7A1 ARG 107 HG3 -0.06 -0.07 0.08 -0.04 1.67 1.58 1na7A1 ARG 107 HD2 -0.03 0.13 0.06 -0.04 3.22 3.33 1na7A1 ARG 107 HD3 -0.03 0.07 0.01 -0.04 3.22 3.23 1na7A1 THR 108 H 0.05 -0.10 -0.67 -0.55 8.28 7.01 1na7A1 THR 108 HA 0.09 0.18 0.75 -0.75 4.39 4.66 1na7A1 THR 108 HB 0.11 0.02 0.05 -0.04 4.32 4.46 1na7A1 THR 108 HG23 0.06 0.04 -0.09 -0.04 1.22 1.19 1na7A1 PRO 109 HA 0.43 0.15 0.56 -0.51 4.44 5.07 1na7A1 PRO 109 HB2 0.12 -0.02 0.02 -0.04 2.28 2.35 1na7A1 PRO 109 HB3 0.12 0.05 -0.01 -0.04 2.02 2.14 1na7A1 PRO 109 HG2 0.22 0.03 0.01 -0.04 2.03 2.24 1na7A1 PRO 109 HG3 0.67 0.07 -0.01 -0.04 2.03 2.72 1na7A1 PRO 109 HD2 0.15 0.09 0.14 -0.04 3.68 4.03 1na7A1 PRO 109 HD3 0.19 0.16 0.19 -0.04 3.65 4.15 1na7A1 ALA 110 H 0.19 0.83 0.36 -0.55 8.40 9.22 1na7A1 ALA 110 HA 0.07 0.25 0.99 -0.75 4.34 4.90 1na7A1 ALA 110 HB3 0.05 -0.04 -0.10 -0.04 1.41 1.28 1na7A1 LEU 111 H 0.01 0.64 0.28 -0.55 8.37 8.76 1na7A1 LEU 111 HA -0.23 0.22 0.89 -0.75 4.35 4.47 1na7A1 LEU 111 HB2 -0.07 -0.10 0.16 -0.04 1.64 1.59 1na7A1 LEU 111 HB3 -0.59 0.06 0.02 -0.04 1.64 1.09 1na7A1 LEU 111 HG 0.01 0.04 -0.01 -0.04 1.64 1.64 1na7A1 LEU 111 HD13 0.13 -0.01 -0.06 -0.04 0.93 0.95 1na7A1 LEU 111 HD23 -0.12 0.02 -0.10 -0.04 0.89 0.64 1na7A1 VAL 112 H -0.37 0.57 0.27 -0.55 8.24 8.16 1na7A1 VAL 112 HA -0.18 0.35 1.08 -0.75 4.13 4.62 1na7A1 VAL 112 HB -0.50 -0.00 -0.10 -0.04 2.12 1.48 1na7A1 VAL 112 HG13 -0.58 0.01 -0.27 -0.04 0.97 0.09 1na7A1 VAL 112 HG23 -0.28 -0.01 -0.17 -0.04 0.95 0.46 1na7A1 PHE 113 H 0.12 0.65 0.40 -0.55 8.34 8.96 1na7A1 PHE 113 HA -0.00 0.16 1.01 -0.75 4.62 5.03 1na7A1 PHE 113 HB2 0.03 0.01 0.06 -0.04 3.15 3.22 1na7A1 PHE 113 HB3 0.03 -0.09 0.04 -0.04 3.06 3.00 1na7A1 PHE 113 HD2 0.02 0.11 -0.30 -0.04 7.28 7.07 1na7A1 PHE 113 HE2 0.02 0.02 -0.14 -0.04 7.38 7.24 1na7A1 PHE 113 HZ 0.04 -0.01 -0.11 -0.04 7.32 7.21 1na7A1 GLU 114 H 0.21 0.21 0.17 -0.55 8.60 8.65 1na7A1 GLU 114 HA 0.11 0.14 0.44 -0.75 4.29 4.23 1na7A1 GLU 114 HB2 0.09 -0.06 0.12 -0.04 2.09 2.19 1na7A1 GLU 114 HB3 0.09 -0.01 0.21 -0.04 1.99 2.23 1na7A1 GLU 114 HG2 0.09 0.14 0.16 -0.04 2.34 2.70 1na7A1 GLU 114 HG3 0.05 0.01 0.08 -0.04 2.34 2.44 1na7A1 HIS 115 H 0.12 0.22 0.05 -0.55 8.41 8.25 1na7A1 HIS 115 HA 0.05 0.07 0.56 -0.75 4.63 4.56 1na7A1 HIS 115 HB2 0.06 0.14 -0.56 -0.04 3.26 2.86 1na7A1 HIS 115 HB3 0.04 -0.01 -0.07 -0.04 3.20 3.12 1na7A1 HIS 115 HD2 0.03 -0.03 -0.22 -0.04 6.97 6.71 1na7A1 HIS 115 HE1 0.04 -0.01 -0.07 -0.04 7.75 7.66 1na7A1 VAL 116 H -0.29 0.22 0.05 -0.55 8.24 7.67 1na7A1 VAL 116 HA -0.14 0.20 0.79 -0.75 4.13 4.23 1na7A1 VAL 116 HB -0.09 -0.05 -0.28 -0.04 2.12 1.66 1na7A1 VAL 116 HG13 -0.03 0.03 -0.23 -0.04 0.97 0.70 1na7A1 VAL 116 HG23 -0.07 -0.00 -0.18 -0.04 0.95 0.66 1na7A1 ASN 117 H -0.07 0.14 -0.06 -0.55 8.53 8.00 1na7A1 ASN 117 HA -0.12 0.24 0.86 -0.75 4.76 4.98 1na7A1 ASN 117 HB2 0.04 -0.02 0.06 -0.04 2.88 2.92 1na7A1 ASN 117 HB3 0.05 -0.03 0.22 -0.04 2.79 2.99 1na7A1 ASN 117 HD21 0.10 0.02 -0.03 -0.04 7.03 7.07 1na7A1 ASN 117 HD22 0.07 -0.04 -0.00 -0.04 7.74 7.73 1na7A1 ASN 118 H -0.07 0.18 -0.24 -0.55 8.53 7.85 1na7A1 ASN 118 HA -0.03 0.53 0.61 -0.75 4.76 5.11 1na7A1 ASN 118 HB2 -0.07 -0.16 0.03 -0.04 2.88 2.64 1na7A1 ASN 118 HB3 -0.05 0.02 0.04 -0.04 2.79 2.75 1na7A1 ASN 118 HD21 -0.03 -0.06 -0.25 -0.04 7.03 6.65 1na7A1 ASN 118 HD22 -0.04 -0.03 -0.21 -0.04 7.74 7.42 1na7A1 THR 119 H -0.03 0.22 0.26 -0.55 8.28 8.17 1na7A1 THR 119 HA -0.02 0.12 0.80 -0.75 4.39 4.53 1na7A1 THR 119 HB -0.02 0.04 0.01 -0.04 4.32 4.30 1na7A1 THR 119 HG23 -0.00 0.01 0.03 -0.04 1.22 1.21 1na7A1 ASP 120 H -0.05 0.16 0.10 -0.55 8.40 8.06 1na7A1 ASP 120 HA -0.07 0.04 0.33 -0.75 4.63 4.18 1na7A1 ASP 120 HB2 -0.09 0.10 0.15 -0.04 2.71 2.83 1na7A1 ASP 120 HB3 -0.16 -0.04 0.05 -0.04 2.70 2.50 1na7A1 PHE 121 H 0.02 0.20 0.15 -0.55 8.34 8.15 1na7A1 PHE 121 HA -0.32 0.09 0.55 -0.75 4.62 4.19 1na7A1 PHE 121 HB2 -0.75 0.02 0.16 -0.04 3.15 2.53 1na7A1 PHE 121 HB3 -0.36 0.18 0.13 -0.04 3.06 2.97 1na7A1 PHE 121 HD2 -0.83 0.02 -0.11 -0.04 7.28 6.33 1na7A1 PHE 121 HE2 -0.41 0.04 -0.10 -0.04 7.38 6.87 1na7A1 PHE 121 HZ -0.30 0.04 -0.09 -0.04 7.32 6.93 1na7A1 LYS 122 H -0.79 0.05 -0.37 -0.55 8.42 6.76 1na7A1 LYS 122 HA -0.55 0.22 0.60 -0.75 4.32 3.83 1na7A1 LYS 122 HB2 -0.47 -0.04 -0.02 -0.04 1.87 1.29 1na7A1 LYS 122 HB3 -0.30 0.09 0.01 -0.04 1.79 1.55 1na7A1 LYS 122 HG2 -1.36 -0.00 -0.10 -0.04 1.46 -0.05 1na7A1 LYS 122 HG3 -0.84 -0.04 -0.04 -0.04 1.46 0.49 1na7A1 LYS 122 HD2 -0.16 0.06 -0.03 -0.04 1.69 1.52 1na7A1 LYS 122 HD3 -0.15 -0.01 -0.04 -0.04 1.68 1.44 1na7A1 LYS 122 HE2 -0.14 -0.02 -0.03 -0.04 2.99 2.75 1na7A1 LYS 122 HE3 -0.19 -0.00 -0.05 -0.04 2.99 2.71 1na7A1 GLN 123 H -0.23 0.19 -0.29 -0.55 8.47 7.60 1na7A1 GLN 123 HA -0.05 0.23 0.71 -0.75 4.36 4.49 1na7A1 GLN 123 HB2 -0.08 -0.01 -0.07 -0.04 2.15 1.95 1na7A1 GLN 123 HB3 -0.09 0.01 -0.02 -0.04 2.02 1.87 1na7A1 GLN 123 HG2 -0.03 -0.04 -0.03 -0.04 2.40 2.26 1na7A1 GLN 123 HG3 -0.02 0.03 -0.06 -0.04 2.39 2.29 1na7A1 GLN 123 HE21 0.00 0.02 0.03 -0.04 6.97 6.97 1na7A1 GLN 123 HE22 0.01 -0.00 0.06 -0.04 7.69 7.72 1na7A1 LEU 124 H -0.12 -0.04 -0.20 -0.55 8.37 7.46 1na7A1 LEU 124 HA -0.01 0.22 0.80 -0.75 4.35 4.61 1na7A1 LEU 124 HB2 -0.08 0.11 -0.02 -0.04 1.64 1.61 1na7A1 LEU 124 HB3 -0.11 -0.10 0.17 -0.04 1.64 1.57 1na7A1 LEU 124 HG -0.12 -0.02 -0.44 -0.04 1.64 1.03 1na7A1 LEU 124 HD13 -0.22 -0.01 -0.02 -0.04 0.93 0.64 1na7A1 LEU 124 HD23 -0.20 -0.00 -0.02 -0.04 0.89 0.63 1na7A1 TYR 125 H 0.05 0.31 0.08 -0.55 8.29 8.17 1na7A1 TYR 125 HA -0.03 0.10 0.70 -0.75 4.56 4.58 1na7A1 TYR 125 HB2 -0.00 0.02 0.18 -0.04 3.06 3.21 1na7A1 TYR 125 HB3 -0.02 -0.05 0.10 -0.04 2.98 2.97 1na7A1 TYR 125 HD2 0.02 -0.02 -0.18 -0.04 7.15 6.93 1na7A1 TYR 125 HE2 0.07 -0.03 -0.05 -0.04 6.85 6.80 1na7A1 GLN 126 H 0.14 0.25 -0.96 -0.55 8.47 7.36 1na7A1 GLN 126 HA 0.03 0.22 0.61 -0.75 4.36 4.47 1na7A1 GLN 126 HB2 0.14 -0.00 -0.18 -0.04 2.15 2.06 1na7A1 GLN 126 HB3 0.08 0.02 -0.16 -0.04 2.02 1.92 1na7A1 GLN 126 HG2 0.04 0.06 0.09 -0.04 2.40 2.56 1na7A1 GLN 126 HG3 0.05 -0.00 0.01 -0.04 2.39 2.41 1na7A1 GLN 126 HE21 0.06 -0.05 0.07 -0.04 6.97 7.01 1na7A1 GLN 126 HE22 0.07 0.05 0.05 -0.04 7.69 7.82 1na7A1 THR 127 H 0.09 0.06 0.05 -0.55 8.28 7.93 1na7A1 THR 127 HA 0.08 0.15 0.65 -0.75 4.39 4.51 1na7A1 THR 127 HB 0.08 0.11 0.11 -0.04 4.32 4.58 1na7A1 THR 127 HG23 0.09 -0.03 0.13 -0.04 1.22 1.36 1na7A1 LEU 128 H 0.08 -0.02 -0.04 -0.55 8.37 7.85 1na7A1 LEU 128 HA 0.15 0.07 0.73 -0.75 4.35 4.55 1na7A1 LEU 128 HB2 0.07 0.10 0.01 -0.04 1.64 1.78 1na7A1 LEU 128 HB3 0.13 -0.03 -0.07 -0.04 1.64 1.62 1na7A1 LEU 128 HG 0.08 -0.01 -0.01 -0.04 1.64 1.65 1na7A1 LEU 128 HD13 0.13 0.01 -0.11 -0.04 0.93 0.92 1na7A1 LEU 128 HD23 0.03 0.00 -0.11 -0.04 0.89 0.78 1na7A1 THR 129 H 0.14 0.05 0.18 -0.55 8.28 8.10 1na7A1 THR 129 HA 0.10 0.24 0.49 -0.75 4.39 4.48 1na7A1 THR 129 HB 0.10 -0.00 0.17 -0.04 4.32 4.54 1na7A1 THR 129 HG23 0.09 0.06 0.04 -0.04 1.22 1.37 1na7A1 ASP 130 H 0.06 0.24 0.13 -0.55 8.40 8.29 1na7A1 ASP 130 HA -0.04 0.15 0.42 -0.75 4.63 4.41 1na7A1 ASP 130 HB2 -0.03 0.29 0.22 -0.04 2.71 3.14 1na7A1 ASP 130 HB3 0.03 -0.09 0.14 -0.04 2.70 2.74 1na7A1 TYR 131 H 0.14 0.05 -0.26 -0.55 8.29 7.67 1na7A1 TYR 131 HA -0.06 0.14 0.39 -0.75 4.56 4.28 1na7A1 TYR 131 HB2 -0.04 0.04 0.06 -0.04 3.06 3.08 1na7A1 TYR 131 HB3 -0.04 -0.05 0.03 -0.04 2.98 2.89 1na7A1 TYR 131 HD2 -0.10 -0.01 -0.13 -0.04 7.15 6.87 1na7A1 TYR 131 HE2 -0.20 0.18 -0.07 -0.04 6.85 6.72 1na7A1 ASP 132 H 0.14 0.04 -0.18 -0.55 8.40 7.85 1na7A1 ASP 132 HA 0.01 0.07 0.42 -0.75 4.63 4.38 1na7A1 ASP 132 HB2 0.18 -0.04 0.17 -0.04 2.71 2.97 1na7A1 ASP 132 HB3 0.33 0.04 -0.00 -0.04 2.70 3.02 1na7A1 ILE 133 H 0.05 0.55 -0.31 -0.55 8.25 7.99 1na7A1 ILE 133 HA 0.14 -0.01 0.32 -0.75 4.18 3.88 1na7A1 ILE 133 HB 0.01 0.16 0.09 -0.04 1.89 2.10 1na7A1 ILE 133 HG12 0.01 -0.07 -0.06 -0.04 1.49 1.33 1na7A1 ILE 133 HG13 0.03 0.11 -0.17 -0.04 1.21 1.14 1na7A1 ILE 133 HG23 0.04 -0.01 -0.14 -0.04 0.93 0.78 1na7A1 ILE 133 HD13 -0.10 0.01 -0.19 -0.04 0.88 0.57 1na7A1 ARG 134 H -0.10 0.42 -0.16 -0.55 8.46 8.07 1na7A1 ARG 134 HA 0.12 0.02 0.36 -0.75 4.34 4.09 1na7A1 ARG 134 HB2 -0.35 0.04 0.09 -0.04 1.90 1.64 1na7A1 ARG 134 HB3 -0.38 0.03 0.07 -0.04 1.80 1.48 1na7A1 ARG 134 HG2 -0.51 -0.08 0.07 -0.04 1.67 1.12 1na7A1 ARG 134 HG3 -0.29 0.28 0.17 -0.04 1.67 1.79 1na7A1 ARG 134 HD2 -0.45 -0.08 0.04 -0.04 3.22 2.68 1na7A1 ARG 134 HD3 -1.36 0.23 0.12 -0.04 3.22 2.17 1na7A1 PHE 135 H -0.14 0.50 -0.18 -0.55 8.34 7.96 1na7A1 PHE 135 HA -0.21 0.05 0.46 -0.75 4.62 4.16 1na7A1 PHE 135 HB2 -0.58 -0.01 0.09 -0.04 3.15 2.60 1na7A1 PHE 135 HB3 -0.42 0.03 0.18 -0.04 3.06 2.80 1na7A1 PHE 135 HD2 -0.60 -0.01 -0.04 -0.04 7.28 6.58 1na7A1 PHE 135 HE2 -0.22 0.00 -0.05 -0.04 7.38 7.07 1na7A1 PHE 135 HZ -0.04 0.11 0.01 -0.04 7.32 7.36 1na7A1 TYR 136 H 0.05 0.71 -0.00 -0.55 8.29 8.49 1na7A1 TYR 136 HA -0.21 0.02 0.44 -0.75 4.56 4.06 1na7A1 TYR 136 HB2 0.05 0.14 0.07 -0.04 3.06 3.29 1na7A1 TYR 136 HB3 -0.00 -0.07 -0.07 -0.04 2.98 2.80 1na7A1 TYR 136 HD2 0.04 -0.00 -0.11 -0.04 7.15 7.03 1na7A1 TYR 136 HE2 0.15 -0.01 -0.23 -0.04 6.85 6.72 1na7A1 MET 137 H 0.14 0.58 -0.30 -0.55 8.47 8.34 1na7A1 MET 137 HA 0.07 -0.04 0.41 -0.75 4.52 4.21 1na7A1 MET 137 HB2 0.23 0.30 0.14 -0.04 2.15 2.78 1na7A1 MET 137 HB3 0.49 0.10 0.04 -0.04 2.03 2.62 1na7A1 MET 137 HG2 0.40 -0.01 -0.05 -0.04 2.63 2.93 1na7A1 MET 137 HG3 0.28 -0.07 -0.03 -0.04 2.56 2.71 1na7A1 MET 137 HE3 0.01 0.01 -0.01 -0.04 2.10 2.07 1na7A1 TYR 138 H -0.02 0.57 -0.21 -0.55 8.29 8.07 1na7A1 TYR 138 HA -0.72 0.00 0.41 -0.75 4.56 3.49 1na7A1 TYR 138 HB2 -0.60 0.10 0.16 -0.04 3.06 2.67 1na7A1 TYR 138 HB3 -0.42 0.15 0.14 -0.04 2.98 2.82 1na7A1 TYR 138 HD2 -0.89 -0.01 -0.04 -0.04 7.15 6.17 1na7A1 TYR 138 HE2 -0.17 0.06 0.04 -0.04 6.85 6.74 1na7A1 GLU 139 H -0.20 0.35 -0.27 -0.55 8.60 7.93 1na7A1 GLU 139 HA -0.23 0.05 0.45 -0.75 4.29 3.81 1na7A1 GLU 139 HB2 -0.08 0.11 0.10 -0.04 2.09 2.17 1na7A1 GLU 139 HB3 -0.10 -0.07 -0.02 -0.04 1.99 1.75 1na7A1 GLU 139 HG2 -0.66 0.23 0.01 -0.04 2.34 1.88 1na7A1 GLU 139 HG3 -0.31 -0.01 -0.04 -0.04 2.34 1.93 1na7A1 ILE 140 H -0.10 0.54 -0.16 -0.55 8.25 7.98 1na7A1 ILE 140 HA -0.10 0.02 0.43 -0.75 4.18 3.77 1na7A1 ILE 140 HB -0.06 0.14 0.13 -0.04 1.89 2.06 1na7A1 ILE 140 HG12 -0.09 -0.07 -0.04 -0.04 1.49 1.24 1na7A1 ILE 140 HG13 -0.04 0.26 0.03 -0.04 1.21 1.42 1na7A1 ILE 140 HG23 -0.12 -0.03 -0.11 -0.04 0.93 0.62 1na7A1 ILE 140 HD13 -0.06 -0.02 -0.09 -0.04 0.88 0.66 1na7A1 LEU 141 H -0.20 0.60 -0.23 -0.55 8.37 8.00 1na7A1 LEU 141 HA -0.14 -0.10 0.35 -0.75 4.35 3.71 1na7A1 LEU 141 HB2 -0.43 0.19 0.14 -0.04 1.64 1.50 1na7A1 LEU 141 HB3 -0.27 -0.02 -0.01 -0.04 1.64 1.29 1na7A1 LEU 141 HG -0.02 0.01 0.00 -0.04 1.64 1.60 1na7A1 LEU 141 HD13 0.00 -0.00 -0.21 -0.04 0.93 0.68 1na7A1 LEU 141 HD23 0.05 0.00 0.01 -0.04 0.89 0.91 1na7A1 LYS 142 H -0.30 0.37 -0.47 -0.55 8.42 7.47 1na7A1 LYS 142 HA -0.22 0.01 0.44 -0.75 4.32 3.80 1na7A1 LYS 142 HB2 -0.18 0.16 0.09 -0.04 1.87 1.90 1na7A1 LYS 142 HB3 -0.15 -0.06 -0.01 -0.04 1.79 1.53 1na7A1 LYS 142 HG2 -0.36 -0.05 0.02 -0.04 1.46 1.02 1na7A1 LYS 142 HG3 -0.52 0.32 0.10 -0.04 1.46 1.31 1na7A1 LYS 142 HD2 -0.16 -0.01 0.01 -0.04 1.69 1.49 1na7A1 LYS 142 HD3 -0.12 -0.05 -0.01 -0.04 1.68 1.46 1na7A1 LYS 142 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.91 1na7A1 LYS 142 HE3 -0.07 0.04 -0.11 -0.04 2.99 2.81 1na7A1 ALA 143 H -0.12 0.38 -0.15 -0.55 8.40 7.97 1na7A1 ALA 143 HA 0.01 0.21 0.43 -0.75 4.34 4.24 1na7A1 ALA 143 HB3 0.01 0.03 0.11 -0.04 1.41 1.51 1na7A1 LEU 144 H -0.12 0.53 -0.12 -0.55 8.37 8.10 1na7A1 LEU 144 HA -0.20 0.00 0.42 -0.75 4.35 3.82 1na7A1 LEU 144 HB2 -0.19 0.09 0.09 -0.04 1.64 1.59 1na7A1 LEU 144 HB3 -0.44 -0.11 -0.01 -0.04 1.64 1.04 1na7A1 LEU 144 HG -0.14 0.18 -0.00 -0.04 1.64 1.63 1na7A1 LEU 144 HD13 -0.09 -0.01 -0.13 -0.04 0.93 0.66 1na7A1 LEU 144 HD23 -0.11 -0.03 -0.01 -0.04 0.89 0.70 1na7A1 ASP 145 H -0.15 0.64 -0.14 -0.55 8.40 8.20 1na7A1 ASP 145 HA -0.11 -0.14 0.39 -0.75 4.63 4.01 1na7A1 ASP 145 HB2 -0.05 -0.08 -0.00 -0.04 2.71 2.54 1na7A1 ASP 145 HB3 -0.07 0.22 0.15 -0.04 2.70 2.96 1na7A1 TYR 146 H 0.03 0.56 -0.27 -0.55 8.29 8.06 1na7A1 TYR 146 HA -0.13 0.00 0.39 -0.75 4.56 4.07 1na7A1 TYR 146 HB2 -0.08 0.05 0.16 -0.04 3.06 3.15 1na7A1 TYR 146 HB3 -0.07 0.12 0.16 -0.04 2.98 3.14 1na7A1 TYR 146 HD2 -0.08 -0.02 -0.05 -0.04 7.15 6.96 1na7A1 TYR 146 HE2 -0.06 0.02 -0.03 -0.04 6.85 6.74 1na7A1 CYS 147 H 0.04 0.55 -0.02 -0.55 8.50 8.52 1na7A1 CYS 147 HA -0.15 0.11 0.39 -0.75 4.58 4.17 1na7A1 CYS 147 HB2 0.16 -0.04 -0.03 -0.04 2.97 3.02 1na7A1 CYS 147 HB3 0.21 0.05 0.06 -0.04 2.97 3.26 1na7A1 HIS 148 H -0.15 0.63 -0.09 -0.55 8.41 8.25 1na7A1 HIS 148 HA -0.40 0.09 0.57 -0.75 4.63 4.13 1na7A1 HIS 148 HB2 -0.30 0.08 0.18 -0.04 3.26 3.19 1na7A1 HIS 148 HB3 -0.77 -0.13 0.05 -0.04 3.20 2.31 1na7A1 HIS 148 HD2 0.10 0.29 0.12 -0.04 6.97 7.44 1na7A1 HIS 148 HE1 0.08 -0.02 0.01 -0.04 7.75 7.78 1na7A1 SER 149 H -0.56 0.76 -0.05 -0.55 8.46 8.07 1na7A1 SER 149 HA -2.19 -0.11 0.47 -0.75 4.49 1.92 1na7A1 SER 149 HB2 -0.39 -0.10 0.15 -0.04 3.95 3.57 1na7A1 SER 149 HB3 -0.52 0.01 0.16 -0.04 3.93 3.55 1na7A1 MET 150 H -0.37 0.23 -0.80 -0.55 8.47 6.99 1na7A1 MET 150 HA -0.16 0.11 0.75 -0.75 4.52 4.47 1na7A1 MET 150 HB2 -0.23 0.06 0.11 -0.04 2.15 2.05 1na7A1 MET 150 HB3 -0.02 -0.04 0.11 -0.04 2.03 2.04 1na7A1 MET 150 HG2 -0.83 0.13 -0.05 -0.04 2.63 1.84 1na7A1 MET 150 HG3 -0.69 -0.02 -0.07 -0.04 2.56 1.74 1na7A1 MET 150 HE3 0.08 0.00 0.02 -0.04 2.10 2.16 1na7A1 GLY 151 H -0.14 0.51 -0.31 -0.55 8.43 7.94 1na7A1 GLY 151 HA2 0.40 0.00 0.40 -0.51 4.01 4.29 1na7A1 GLY 151 HA3 0.25 -0.00 0.47 -0.51 4.01 4.22 1na7A1 ILE 152 H 0.15 0.44 0.12 -0.55 8.25 8.41 1na7A1 ILE 152 HA 0.02 0.25 1.09 -0.75 4.18 4.79 1na7A1 ILE 152 HB 0.02 0.00 -0.07 -0.04 1.89 1.80 1na7A1 ILE 152 HG12 -0.61 0.00 -0.20 -0.04 1.49 0.64 1na7A1 ILE 152 HG13 -0.05 0.11 -0.76 -0.04 1.21 0.47 1na7A1 ILE 152 HG23 0.00 -0.03 -0.26 -0.04 0.93 0.59 1na7A1 ILE 152 HD13 -0.25 -0.01 -0.10 -0.04 0.88 0.47 1na7A1 MET 153 H 0.04 0.87 0.29 -0.55 8.47 9.13 1na7A1 MET 153 HA 0.22 0.06 0.86 -0.75 4.52 4.90 1na7A1 MET 153 HB2 -0.04 0.08 -0.01 -0.04 2.15 2.15 1na7A1 MET 153 HB3 0.00 -0.12 -0.07 -0.04 2.03 1.80 1na7A1 MET 153 HG2 -0.28 -0.12 -0.26 -0.04 2.63 1.93 1na7A1 MET 153 HG3 -0.15 0.08 -0.26 -0.04 2.56 2.20 1na7A1 MET 153 HE3 -0.67 0.03 -0.26 -0.04 2.10 1.16 1na7A1 HIS 154 H 0.27 0.09 0.10 -0.55 8.41 8.31 1na7A1 HIS 154 HA -0.06 0.16 0.44 -0.75 4.63 4.41 1na7A1 HIS 154 HB2 -0.24 0.10 0.04 -0.04 3.26 3.13 1na7A1 HIS 154 HB3 -0.15 -0.16 0.12 -0.04 3.20 2.95 1na7A1 HIS 154 HD2 -2.71 0.03 -0.13 -0.04 6.97 4.12 1na7A1 HIS 154 HE1 -0.42 0.21 -0.14 -0.04 7.75 7.35 1na7A1 ARG 155 H 0.08 -0.01 -0.01 -0.55 8.46 7.97 1na7A1 ARG 155 HA -0.02 -0.04 0.20 -0.75 4.34 3.72 1na7A1 ARG 155 HB2 -0.07 0.39 -0.16 -0.04 1.90 2.02 1na7A1 ARG 155 HB3 -0.05 -0.05 0.07 -0.04 1.80 1.73 1na7A1 ARG 155 HG2 -0.01 -0.13 -0.19 -0.04 1.67 1.30 1na7A1 ARG 155 HG3 -0.01 0.04 -0.66 -0.04 1.67 1.01 1na7A1 ARG 155 HD2 0.11 -0.04 -0.10 -0.04 3.22 3.16 1na7A1 ARG 155 HD3 0.05 -0.03 -0.15 -0.04 3.22 3.05 1na7A1 ASP 156 H 0.39 0.02 -0.45 -0.55 8.40 7.82 1na7A1 ASP 156 HA -0.06 0.06 0.50 -0.75 4.63 4.38 1na7A1 ASP 156 HB2 -0.16 0.10 -0.28 -0.04 2.71 2.33 1na7A1 ASP 156 HB3 -0.12 0.10 0.03 -0.04 2.70 2.67 1na7A1 VAL 157 H -0.07 0.07 -0.02 -0.55 8.24 7.68 1na7A1 VAL 157 HA -0.47 0.14 0.55 -0.75 4.13 3.60 1na7A1 VAL 157 HB -0.12 -0.01 0.14 -0.04 2.12 2.09 1na7A1 VAL 157 HG13 -0.21 0.03 -0.25 -0.04 0.97 0.49 1na7A1 VAL 157 HG23 -0.39 -0.02 0.01 -0.04 0.95 0.51 1na7A1 LYS 158 H -0.41 0.34 0.24 -0.55 8.42 8.04 1na7A1 LYS 158 HA -0.91 0.19 0.46 -0.75 4.32 3.30 1na7A1 LYS 158 HB2 -1.22 0.01 0.09 -0.04 1.87 0.71 1na7A1 LYS 158 HB3 -1.17 0.12 -0.20 -0.04 1.79 0.51 1na7A1 LYS 158 HG2 -0.45 0.19 -0.12 -0.04 1.46 1.04 1na7A1 LYS 158 HG3 -0.54 -0.34 -0.16 -0.04 1.46 0.38 1na7A1 LYS 158 HD2 -0.98 -0.00 -0.08 -0.04 1.69 0.59 1na7A1 LYS 158 HD3 -0.44 -0.02 -0.15 -0.04 1.68 1.04 1na7A1 LYS 158 HE2 -0.31 0.12 -0.09 -0.04 2.99 2.67 1na7A1 LYS 158 HE3 -0.51 -0.07 -0.10 -0.04 2.99 2.26 1na7A1 PRO 159 HA -0.35 0.13 0.41 -0.51 4.44 4.13 1na7A1 PRO 159 HB2 -2.16 -0.01 -0.00 -0.04 2.28 0.07 1na7A1 PRO 159 HB3 -0.88 0.06 0.09 -0.04 2.02 1.26 1na7A1 PRO 159 HG2 -0.05 0.09 0.04 -0.04 2.03 2.07 1na7A1 PRO 159 HG3 -0.01 0.09 0.07 -0.04 2.03 2.13 1na7A1 PRO 159 HD2 -0.42 0.09 0.15 -0.04 3.68 3.46 1na7A1 PRO 159 HD3 -0.63 0.18 0.18 -0.04 3.65 3.34 1na7A1 HIS 160 H 0.09 0.07 -0.38 -0.55 8.41 7.65 1na7A1 HIS 160 HA -0.20 0.11 0.50 -0.75 4.63 4.29 1na7A1 HIS 160 HB2 -0.17 0.06 -0.12 -0.04 3.26 3.00 1na7A1 HIS 160 HB3 -0.06 0.01 0.04 -0.04 3.20 3.14 1na7A1 HIS 160 HD2 0.04 0.03 -0.04 -0.04 6.97 6.96 1na7A1 HIS 160 HE1 -0.04 0.04 -0.03 -0.04 7.75 7.67 1na7A1 ASN 161 H -0.23 0.30 -0.21 -0.55 8.53 7.85 1na7A1 ASN 161 HA -0.14 0.12 0.68 -0.75 4.76 4.66 1na7A1 ASN 161 HB2 -0.28 -0.02 0.17 -0.04 2.88 2.71 1na7A1 ASN 161 HB3 -0.21 0.18 0.17 -0.04 2.79 2.89 1na7A1 ASN 161 HD21 -0.17 -0.12 0.02 -0.04 7.03 6.72 1na7A1 ASN 161 HD22 -0.10 0.54 0.19 -0.04 7.74 8.33 1na7A1 VAL 162 H -0.17 0.26 -0.74 -0.55 8.24 7.04 1na7A1 VAL 162 HA -0.15 0.22 0.88 -0.75 4.13 4.33 1na7A1 VAL 162 HB -0.19 0.05 0.09 -0.04 2.12 2.03 1na7A1 VAL 162 HG13 -0.13 -0.01 -0.19 -0.04 0.97 0.59 1na7A1 VAL 162 HG23 -0.23 0.04 -0.23 -0.04 0.95 0.49 1na7A1 MET 163 H -0.09 0.66 0.14 -0.55 8.47 8.63 1na7A1 MET 163 HA -0.09 0.09 0.72 -0.75 4.52 4.49 1na7A1 MET 163 HB2 -0.07 0.03 0.04 -0.04 2.15 2.12 1na7A1 MET 163 HB3 -0.07 -0.07 -0.14 -0.04 2.03 1.70 1na7A1 MET 163 HG2 -0.09 0.01 -0.16 -0.04 2.63 2.35 1na7A1 MET 163 HG3 -0.08 -0.03 -0.10 -0.04 2.56 2.31 1na7A1 MET 163 HE3 -0.06 -0.05 -0.20 -0.04 2.10 1.75 1na7A1 ILE 164 H -0.09 0.16 0.14 -0.55 8.25 7.91 1na7A1 ILE 164 HA -0.05 0.40 1.08 -0.75 4.18 4.85 1na7A1 ILE 164 HB -0.21 -0.04 0.05 -0.04 1.89 1.65 1na7A1 ILE 164 HG12 -0.26 0.06 -0.18 -0.04 1.49 1.07 1na7A1 ILE 164 HG13 -0.19 -0.03 -0.57 -0.04 1.21 0.37 1na7A1 ILE 164 HG23 -0.33 -0.00 -0.25 -0.04 0.93 0.31 1na7A1 ILE 164 HD13 -0.54 0.00 -0.12 -0.04 0.88 0.18 1na7A1 ASP 165 H 0.07 0.83 0.09 -0.55 8.40 8.85 1na7A1 ASP 165 HA 0.08 0.29 0.75 -0.75 4.63 4.99 1na7A1 ASP 165 HB2 0.07 -0.04 -0.05 -0.04 2.71 2.65 1na7A1 ASP 165 HB3 0.17 -0.06 0.19 -0.04 2.70 2.96 1na7A1 HIS 166 H 0.15 0.29 -0.12 -0.55 8.41 8.18 1na7A1 HIS 166 HA 0.23 0.08 0.30 -0.75 4.63 4.49 1na7A1 HIS 166 HB2 0.03 0.02 0.09 -0.04 3.26 3.37 1na7A1 HIS 166 HB3 0.05 0.02 0.05 -0.04 3.20 3.26 1na7A1 HIS 166 HD2 0.05 0.03 -0.01 -0.04 6.97 6.99 1na7A1 HIS 166 HE1 0.24 -0.05 0.01 -0.04 7.75 7.90 1na7A1 GLU 167 H 0.07 0.08 -0.16 -0.55 8.60 8.04 1na7A1 GLU 167 HA -0.13 0.10 0.38 -0.75 4.29 3.88 1na7A1 GLU 167 HB2 -0.11 0.02 0.09 -0.04 2.09 2.05 1na7A1 GLU 167 HB3 -0.16 -0.08 0.07 -0.04 1.99 1.78 1na7A1 GLU 167 HG2 -0.33 -0.00 -0.04 -0.04 2.34 1.93 1na7A1 GLU 167 HG3 -0.91 0.04 -0.33 -0.04 2.34 1.10 1na7A1 HIS 168 H 0.04 0.07 -0.17 -0.55 8.41 7.81 1na7A1 HIS 168 HA 0.05 0.16 0.64 -0.75 4.63 4.73 1na7A1 HIS 168 HB2 0.07 -0.06 0.03 -0.04 3.26 3.27 1na7A1 HIS 168 HB3 0.06 0.04 0.10 -0.04 3.20 3.35 1na7A1 HIS 168 HD2 0.03 0.05 -0.01 -0.04 6.97 7.00 1na7A1 HIS 168 HE1 0.04 0.00 -0.02 -0.04 7.75 7.73 1na7A1 ARG 169 H 0.19 0.15 -0.54 -0.55 8.46 7.71 1na7A1 ARG 169 HA 0.49 -0.07 0.21 -0.75 4.34 4.22 1na7A1 ARG 169 HB2 0.17 0.14 -0.07 -0.04 1.90 2.11 1na7A1 ARG 169 HB3 0.36 -0.09 0.14 -0.04 1.80 2.17 1na7A1 ARG 169 HG2 0.15 -0.06 0.05 -0.04 1.67 1.76 1na7A1 ARG 169 HG3 0.04 0.17 -0.16 -0.04 1.67 1.69 1na7A1 ARG 169 HD2 -0.15 -0.01 -0.03 -0.04 3.22 2.99 1na7A1 ARG 169 HD3 -0.15 0.01 -0.06 -0.04 3.22 2.98 1na7A1 LYS 170 H 0.24 0.24 -0.08 -0.55 8.42 8.27 1na7A1 LYS 170 HA 0.16 0.23 0.77 -0.75 4.32 4.73 1na7A1 LYS 170 HB2 0.14 0.07 -0.12 -0.04 1.87 1.92 1na7A1 LYS 170 HB3 0.10 -0.18 -0.03 -0.04 1.79 1.64 1na7A1 LYS 170 HG2 0.04 0.05 -0.13 -0.04 1.46 1.38 1na7A1 LYS 170 HG3 0.06 0.07 0.05 -0.04 1.46 1.59 1na7A1 LYS 170 HD2 0.02 -0.08 -0.06 -0.04 1.69 1.53 1na7A1 LYS 170 HD3 0.02 0.03 -0.04 -0.04 1.68 1.65 1na7A1 LYS 170 HE2 0.04 0.07 -0.02 -0.04 2.99 3.03 1na7A1 LYS 170 HE3 0.07 -0.03 -0.05 -0.04 2.99 2.93 1na7A1 LEU 171 H 0.07 0.30 0.18 -0.55 8.37 8.37 1na7A1 LEU 171 HA -0.01 0.26 0.86 -0.75 4.35 4.71 1na7A1 LEU 171 HB2 0.14 -0.01 -0.24 -0.04 1.64 1.49 1na7A1 LEU 171 HB3 0.02 0.02 -0.03 -0.04 1.64 1.61 1na7A1 LEU 171 HG -0.06 -0.03 -0.13 -0.04 1.64 1.37 1na7A1 LEU 171 HD13 0.00 -0.00 -0.09 -0.04 0.93 0.79 1na7A1 LEU 171 HD23 -0.05 -0.00 -0.33 -0.04 0.89 0.47 1na7A1 ARG 172 H -0.04 0.38 0.11 -0.55 8.46 8.35 1na7A1 ARG 172 HA 0.01 0.31 0.57 -0.75 4.34 4.47 1na7A1 ARG 172 HB2 -0.03 -0.08 -0.07 -0.04 1.90 1.68 1na7A1 ARG 172 HB3 0.00 -0.03 -0.24 -0.04 1.80 1.49 1na7A1 ARG 172 HG2 0.00 0.06 -0.51 -0.04 1.67 1.18 1na7A1 ARG 172 HG3 -0.00 -0.12 -0.23 -0.04 1.67 1.27 1na7A1 ARG 172 HD2 0.02 -0.06 -0.55 -0.04 3.22 2.59 1na7A1 ARG 172 HD3 0.01 0.07 -0.22 -0.04 3.22 3.04 1na7A1 LEU 173 H 0.06 0.78 0.30 -0.55 8.37 8.96 1na7A1 LEU 173 HA -0.11 0.16 0.81 -0.75 4.35 4.45 1na7A1 LEU 173 HB2 -0.05 -0.02 0.14 -0.04 1.64 1.67 1na7A1 LEU 173 HB3 0.23 0.03 0.23 -0.04 1.64 2.10 1na7A1 LEU 173 HG -0.46 0.06 -0.14 -0.04 1.64 1.06 1na7A1 LEU 173 HD13 -0.57 0.04 0.06 -0.04 0.93 0.42 1na7A1 LEU 173 HD23 -0.13 -0.02 -0.07 -0.04 0.89 0.62 1na7A1 ILE 174 H -0.13 0.60 0.24 -0.55 8.25 8.41 1na7A1 ILE 174 HA 0.19 0.20 0.95 -0.75 4.18 4.76 1na7A1 ILE 174 HB -0.16 -0.23 0.12 -0.04 1.89 1.57 1na7A1 ILE 174 HG12 -0.11 0.03 -0.21 -0.04 1.49 1.15 1na7A1 ILE 174 HG13 -0.14 0.04 -0.21 -0.04 1.21 0.86 1na7A1 ILE 174 HG23 -0.09 0.03 -0.26 -0.04 0.93 0.57 1na7A1 ILE 174 HD13 -0.11 0.02 -0.06 -0.04 0.88 0.68 1na7A1 ASP 175 H -0.10 0.09 0.07 -0.55 8.40 7.90 1na7A1 ASP 175 HA -0.05 -0.03 0.36 -0.75 4.63 4.15 1na7A1 ASP 175 HB2 -0.12 -0.01 -0.01 -0.04 2.71 2.53 1na7A1 ASP 175 HB3 -0.17 0.14 0.02 -0.04 2.70 2.65 1na7A1 TRP 176 H 0.27 0.13 -0.03 -0.55 7.97 7.79 1na7A1 TRP 176 HA -0.35 0.22 0.70 -0.75 4.62 4.43 1na7A1 TRP 176 HB2 -0.07 0.02 0.05 -0.04 3.23 3.20 1na7A1 TRP 176 HB3 -0.14 0.06 0.12 -0.04 3.23 3.23 1na7A1 TRP 176 HD1 -0.06 -0.16 -0.18 -0.04 7.22 6.77 1na7A1 TRP 176 HE1 -0.01 0.22 -0.06 -0.04 10.20 10.31 1na7A1 TRP 176 HE3 -0.13 -0.00 -0.09 -0.04 7.59 7.33 1na7A1 TRP 176 HZ2 0.04 0.03 -0.05 -0.04 7.44 7.42 1na7A1 TRP 176 HZ3 0.05 -0.04 -0.21 -0.04 7.13 6.89 1na7A1 TRP 176 HH2 0.06 0.01 -0.10 -0.04 7.19 7.12 1na7A1 GLY 177 H -0.11 0.12 -0.44 -0.55 8.43 7.45 1na7A1 GLY 177 HA2 -0.03 0.13 0.47 -0.51 4.01 4.07 1na7A1 GLY 177 HA3 -0.10 -0.00 0.25 -0.51 4.01 3.65 1na7A1 LEU 178 H -0.22 0.05 -0.19 -0.55 8.37 7.47 1na7A1 LEU 178 HA -0.12 0.21 0.82 -0.75 4.35 4.52 1na7A1 LEU 178 HB2 -0.22 -0.01 -0.04 -0.04 1.64 1.33 1na7A1 LEU 178 HB3 -0.12 0.02 0.06 -0.04 1.64 1.56 1na7A1 LEU 178 HG -0.20 -0.09 -0.10 -0.04 1.64 1.22 1na7A1 LEU 178 HD13 -0.11 0.00 0.06 -0.04 0.93 0.83 1na7A1 LEU 178 HD23 -0.16 0.05 -0.01 -0.04 0.89 0.73 1na7A1 ALA 179 H -0.11 -0.03 -0.37 -0.55 8.40 7.34 1na7A1 ALA 179 HA -0.05 0.25 0.50 -0.75 4.34 4.28 1na7A1 ALA 179 HB3 0.15 -0.03 0.04 -0.04 1.41 1.53 1na7A1 GLU 180 H -0.01 0.49 0.33 -0.55 8.60 8.86 1na7A1 GLU 180 HA 0.08 0.14 0.72 -0.75 4.29 4.48 1na7A1 GLU 180 HB2 0.03 0.04 -0.16 -0.04 2.09 1.96 1na7A1 GLU 180 HB3 0.01 0.02 -0.10 -0.04 1.99 1.88 1na7A1 GLU 180 HG2 0.15 0.12 0.01 -0.04 2.34 2.58 1na7A1 GLU 180 HG3 0.32 -0.07 0.01 -0.04 2.34 2.56 1na7A1 PHE 181 H 0.52 0.14 0.19 -0.55 8.34 8.63 1na7A1 PHE 181 HA 0.11 0.30 0.87 -0.75 4.62 5.15 1na7A1 PHE 181 HB2 0.28 -0.07 0.14 -0.04 3.15 3.46 1na7A1 PHE 181 HB3 -0.00 0.06 0.06 -0.04 3.06 3.14 1na7A1 PHE 181 HD2 0.27 -0.02 0.07 -0.04 7.28 7.56 1na7A1 PHE 181 HE2 -0.08 0.03 -0.02 -0.04 7.38 7.26 1na7A1 PHE 181 HZ -0.10 0.01 -0.10 -0.04 7.32 7.08 1na7A1 TYR 182 H 0.16 0.54 0.22 -0.55 8.29 8.66 1na7A1 TYR 182 HA -0.07 0.14 0.84 -0.75 4.56 4.71 1na7A1 TYR 182 HB2 -0.50 -0.08 -0.07 -0.04 3.06 2.37 1na7A1 TYR 182 HB3 -0.11 0.03 0.11 -0.04 2.98 2.97 1na7A1 TYR 182 HD2 -0.15 0.10 0.02 -0.04 7.15 7.09 1na7A1 TYR 182 HE2 0.00 0.14 0.04 -0.04 6.85 6.99 1na7A1 HIS 183 H -0.29 0.26 0.15 -0.55 8.41 7.99 1na7A1 HIS 183 HA -0.38 0.17 0.88 -0.75 4.63 4.54 1na7A1 HIS 183 HB2 -0.23 -0.04 0.11 -0.04 3.26 3.06 1na7A1 HIS 183 HB3 -0.30 0.07 0.02 -0.04 3.20 2.94 1na7A1 HIS 183 HD2 -0.53 -0.02 -0.05 -0.04 6.97 6.33 1na7A1 HIS 183 HE1 -0.04 0.01 -0.09 -0.04 7.75 7.59 1na7A1 PRO 184 HA -0.13 -0.05 0.51 -0.51 4.44 4.26 1na7A1 PRO 184 HB2 -0.04 0.02 0.08 -0.04 2.28 2.31 1na7A1 PRO 184 HB3 0.04 -0.01 0.11 -0.04 2.02 2.12 1na7A1 PRO 184 HG2 0.02 -0.06 0.04 -0.04 2.03 1.99 1na7A1 PRO 184 HG3 0.07 0.16 0.19 -0.04 2.03 2.41 1na7A1 PRO 184 HD2 -0.12 0.06 0.24 -0.04 3.68 3.82 1na7A1 PRO 184 HD3 -0.27 0.23 0.31 -0.04 3.65 3.88 1na7A1 GLY 185 H 0.03 0.16 0.26 -0.55 8.43 8.34 1na7A1 GLY 185 HA2 -0.01 0.02 0.41 -0.51 4.01 3.93 1na7A1 GLY 185 HA3 -0.05 0.06 0.47 -0.51 4.01 3.99 1na7A1 GLN 186 H -0.15 0.51 -0.42 -0.55 8.47 7.87 1na7A1 GLN 186 HA -0.24 -0.01 0.48 -0.75 4.36 3.84 1na7A1 GLN 186 HB2 -0.20 -0.02 0.08 -0.04 2.15 1.97 1na7A1 GLN 186 HB3 -0.19 0.02 0.18 -0.04 2.02 2.00 1na7A1 GLN 186 HG2 -0.44 -0.03 -0.01 -0.04 2.40 1.88 1na7A1 GLN 186 HG3 -1.29 0.03 -0.32 -0.04 2.39 0.76 1na7A1 GLN 186 HE21 -0.20 -0.04 0.03 -0.04 6.97 6.71 1na7A1 GLN 186 HE22 -0.21 -0.01 0.01 -0.04 7.69 7.43 1na7A1 GLU 187 H -0.32 0.11 0.20 -0.55 8.60 8.04 1na7A1 GLU 187 HA -0.27 0.22 0.72 -0.75 4.29 4.20 1na7A1 GLU 187 HB2 -0.19 -0.05 0.16 -0.04 2.09 1.97 1na7A1 GLU 187 HB3 -0.18 -0.01 -0.03 -0.04 1.99 1.73 1na7A1 GLU 187 HG2 -0.20 -0.03 -0.15 -0.04 2.34 1.93 1na7A1 GLU 187 HG3 -0.16 0.12 -0.03 -0.04 2.34 2.23 1na7A1 TYR 188 H -0.23 0.81 0.35 -0.55 8.29 8.66 1na7A1 TYR 188 HA -0.10 0.15 0.93 -0.75 4.56 4.79 1na7A1 TYR 188 HB2 -0.96 -0.01 0.02 -0.04 3.06 2.07 1na7A1 TYR 188 HB3 -0.08 -0.01 0.04 -0.04 2.98 2.89 1na7A1 TYR 188 HD2 -0.28 0.03 0.02 -0.04 7.15 6.89 1na7A1 TYR 188 HE2 -0.01 0.04 0.02 -0.04 6.85 6.86 1na7A1 ASN 189 H 0.15 0.15 0.13 -0.55 8.53 8.42 1na7A1 ASN 189 HA 0.07 0.06 0.53 -0.75 4.76 4.66 1na7A1 ASN 189 HB2 0.06 0.05 0.11 -0.04 2.88 3.06 1na7A1 ASN 189 HB3 0.11 0.06 0.13 -0.04 2.79 3.04 1na7A1 ASN 189 HD21 0.04 0.06 0.02 -0.04 7.03 7.11 1na7A1 ASN 189 HD22 0.05 0.03 0.12 -0.04 7.74 7.90 1na7A1 VAL 190 H 0.08 0.16 0.16 -0.55 8.24 8.09 1na7A1 VAL 190 HA 0.17 0.13 0.49 -0.75 4.13 4.16 1na7A1 VAL 190 HB 0.03 0.06 0.22 -0.04 2.12 2.38 1na7A1 VAL 190 HG13 0.11 0.01 -0.18 -0.04 0.97 0.88 1na7A1 VAL 190 HG23 0.04 -0.01 -0.03 -0.04 0.95 0.90 1na7A1 ARG 191 H 0.06 0.00 -0.48 -0.55 8.46 7.48 1na7A1 ARG 191 HA -0.01 0.20 0.71 -0.75 4.34 4.49 1na7A1 ARG 191 HB2 0.03 -0.03 0.10 -0.04 1.90 1.95 1na7A1 ARG 191 HB3 0.02 0.02 0.16 -0.04 1.80 1.96 1na7A1 ARG 191 HG2 -0.00 0.03 -0.03 -0.04 1.67 1.63 1na7A1 ARG 191 HG3 0.02 -0.06 -0.14 -0.04 1.67 1.44 1na7A1 ARG 191 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 1na7A1 ARG 191 HD3 0.02 0.00 0.01 -0.04 3.22 3.21 1na7A1 VAL 192 H -0.03 0.37 -0.32 -0.55 8.24 7.72 1na7A1 VAL 192 HA -0.04 0.16 0.86 -0.75 4.13 4.36 1na7A1 VAL 192 HB -0.05 0.13 0.12 -0.04 2.12 2.28 1na7A1 VAL 192 HG13 0.03 -0.00 -0.14 -0.04 0.97 0.82 1na7A1 VAL 192 HG23 -0.07 -0.03 -0.11 -0.04 0.95 0.71 1na7A1 ALA 193 H -0.07 0.12 0.16 -0.55 8.40 8.06 1na7A1 ALA 193 HA -0.05 -0.04 0.34 -0.75 4.34 3.83 1na7A1 ALA 193 HB3 -0.00 0.06 -0.04 -0.04 1.41 1.38 1na7A1 SER 194 H 0.05 0.13 0.02 -0.55 8.46 8.12 1na7A1 SER 194 HA -0.04 0.21 0.74 -0.75 4.49 4.63 1na7A1 SER 194 HB2 0.10 -0.01 0.03 -0.04 3.95 4.03 1na7A1 SER 194 HB3 0.04 -0.04 -0.04 -0.04 3.93 3.85 1na7A1 ARG 195 H -0.13 0.19 0.06 -0.55 8.46 8.02 1na7A1 ARG 195 HA -0.08 0.09 0.23 -0.75 4.34 3.83 1na7A1 ARG 195 HB2 -0.20 0.02 0.06 -0.04 1.90 1.75 1na7A1 ARG 195 HB3 -0.60 0.01 0.03 -0.04 1.80 1.19 1na7A1 ARG 195 HG2 -0.03 0.03 -0.26 -0.04 1.67 1.37 1na7A1 ARG 195 HG3 -0.07 -0.05 -0.18 -0.04 1.67 1.33 1na7A1 ARG 195 HD2 -0.01 0.27 -0.25 -0.04 3.22 3.19 1na7A1 ARG 195 HD3 0.02 -0.19 -0.56 -0.04 3.22 2.44 1na7A1 TYR 196 H -0.42 0.03 -0.21 -0.55 8.29 7.14 1na7A1 TYR 196 HA -0.04 0.19 0.47 -0.75 4.56 4.43 1na7A1 TYR 196 HB2 -0.58 -0.06 0.01 -0.04 3.06 2.39 1na7A1 TYR 196 HB3 -0.39 0.01 0.11 -0.04 2.98 2.66 1na7A1 TYR 196 HD2 0.12 0.02 0.02 -0.04 7.15 7.28 1na7A1 TYR 196 HE2 0.19 0.12 -0.01 -0.04 6.85 7.11 1na7A1 PHE 197 H 0.21 0.50 -0.22 -0.55 8.34 8.27 1na7A1 PHE 197 HA 0.29 0.20 0.84 -0.75 4.62 5.19 1na7A1 PHE 197 HB2 0.03 -0.11 0.06 -0.04 3.15 3.08 1na7A1 PHE 197 HB3 0.08 0.01 0.22 -0.04 3.06 3.33 1na7A1 PHE 197 HD2 0.03 0.04 0.01 -0.04 7.28 7.33 1na7A1 PHE 197 HE2 0.12 -0.01 -0.08 -0.04 7.38 7.38 1na7A1 PHE 197 HZ 0.12 0.00 -0.02 -0.04 7.32 7.38 1na7A1 LYS 198 H 0.11 0.33 -0.26 -0.55 8.42 8.05 1na7A1 LYS 198 HA -0.00 0.01 0.50 -0.75 4.32 4.07 1na7A1 LYS 198 HB2 -0.03 0.10 0.04 -0.04 1.87 1.93 1na7A1 LYS 198 HB3 -0.10 -0.00 -0.11 -0.04 1.79 1.54 1na7A1 LYS 198 HG2 -0.04 0.19 -0.12 -0.04 1.46 1.45 1na7A1 LYS 198 HG3 -0.01 -0.06 -0.56 -0.04 1.46 0.79 1na7A1 LYS 198 HD2 -0.07 -0.07 -0.10 -0.04 1.69 1.41 1na7A1 LYS 198 HD3 -0.07 0.09 -0.10 -0.04 1.68 1.56 1na7A1 LYS 198 HE2 -0.06 -0.20 -0.28 -0.04 2.99 2.41 1na7A1 LYS 198 HE3 -0.07 -0.09 -0.11 -0.04 2.99 2.68 1na7A1 GLY 199 H -0.22 0.07 0.18 -0.55 8.43 7.92 1na7A1 GLY 199 HA2 -1.71 0.22 0.44 -0.51 4.01 2.45 1na7A1 GLY 199 HA3 -0.58 -0.02 0.38 -0.51 4.01 3.27 1na7A1 PRO 200 HA -0.29 0.07 0.38 -0.51 4.44 4.09 1na7A1 PRO 200 HB2 -0.31 0.10 0.04 -0.04 2.28 2.07 1na7A1 PRO 200 HB3 -0.10 0.03 0.06 -0.04 2.02 1.97 1na7A1 PRO 200 HG2 -0.77 0.07 0.04 -0.04 2.03 1.33 1na7A1 PRO 200 HG3 -0.89 0.06 0.03 -0.04 2.03 1.20 1na7A1 PRO 200 HD2 -0.98 0.14 0.21 -0.04 3.68 3.02 1na7A1 PRO 200 HD3 -2.79 0.19 0.19 -0.04 3.65 1.20 1na7A1 GLU 201 H -0.22 0.13 -0.24 -0.55 8.60 7.73 1na7A1 GLU 201 HA 0.11 0.09 0.37 -0.75 4.29 4.11 1na7A1 GLU 201 HB2 0.11 0.22 -0.02 -0.04 2.09 2.35 1na7A1 GLU 201 HB3 -0.03 0.01 0.06 -0.04 1.99 1.99 1na7A1 GLU 201 HG2 -0.22 -0.16 0.00 -0.04 2.34 1.92 1na7A1 GLU 201 HG3 -0.18 0.02 -0.03 -0.04 2.34 2.10 1na7A1 LEU 202 H -0.19 0.11 -0.24 -0.55 8.37 7.50 1na7A1 LEU 202 HA -0.03 0.06 0.44 -0.75 4.35 4.06 1na7A1 LEU 202 HB2 -0.16 0.10 0.07 -0.04 1.64 1.61 1na7A1 LEU 202 HB3 -0.10 0.21 0.11 -0.04 1.64 1.82 1na7A1 LEU 202 HG -0.31 -0.18 0.08 -0.04 1.64 1.20 1na7A1 LEU 202 HD13 -0.18 0.01 0.04 -0.04 0.93 0.77 1na7A1 LEU 202 HD23 -0.43 0.01 -0.01 -0.04 0.89 0.42 1na7A1 LEU 203 H -0.13 0.34 -0.22 -0.55 8.37 7.81 1na7A1 LEU 203 HA -0.02 0.05 0.41 -0.75 4.35 4.03 1na7A1 LEU 203 HB2 -0.10 0.02 0.04 -0.04 1.64 1.56 1na7A1 LEU 203 HB3 0.02 -0.04 0.06 -0.04 1.64 1.64 1na7A1 LEU 203 HG -0.17 0.19 -0.22 -0.04 1.64 1.40 1na7A1 LEU 203 HD13 -0.15 -0.01 -0.20 -0.04 0.93 0.52 1na7A1 LEU 203 HD23 -0.07 0.03 -0.05 -0.04 0.89 0.76 1na7A1 VAL 204 H -0.00 0.52 -0.23 -0.55 8.24 7.98 1na7A1 VAL 204 HA 0.04 0.08 0.67 -0.75 4.13 4.17 1na7A1 VAL 204 HB 0.02 0.01 -0.01 -0.04 2.12 2.10 1na7A1 VAL 204 HG13 -0.05 -0.02 -0.03 -0.04 0.97 0.82 1na7A1 VAL 204 HG23 -0.06 0.05 -0.04 -0.04 0.95 0.87 1na7A1 ASP 205 H 0.05 0.24 -0.51 -0.55 8.40 7.63 1na7A1 ASP 205 HA 0.06 0.02 0.24 -0.75 4.63 4.20 1na7A1 ASP 205 HB2 0.09 -0.05 -0.28 -0.04 2.71 2.43 1na7A1 ASP 205 HB3 0.08 0.24 0.17 -0.04 2.70 3.15 1na7A1 TYR 206 H 0.14 0.64 -0.01 -0.55 8.29 8.51 1na7A1 TYR 206 HA -0.02 0.17 0.80 -0.75 4.56 4.76 1na7A1 TYR 206 HB2 -0.09 0.05 -0.09 -0.04 3.06 2.89 1na7A1 TYR 206 HB3 -0.07 -0.10 0.12 -0.04 2.98 2.89 1na7A1 TYR 206 HD2 -0.12 -0.03 -0.15 -0.04 7.15 6.81 1na7A1 TYR 206 HE2 -0.06 0.29 -0.10 -0.04 6.85 6.94 1na7A1 GLN 207 H -0.27 0.25 0.05 -0.55 8.47 7.96 1na7A1 GLN 207 HA 0.01 0.11 0.41 -0.75 4.36 4.14 1na7A1 GLN 207 HB2 -0.20 0.00 0.03 -0.04 2.15 1.94 1na7A1 GLN 207 HB3 -0.11 0.22 0.16 -0.04 2.02 2.25 1na7A1 GLN 207 HG2 -0.01 -0.06 -0.05 -0.04 2.40 2.23 1na7A1 GLN 207 HG3 -0.08 0.08 0.02 -0.04 2.39 2.37 1na7A1 GLN 207 HE21 -0.06 -0.03 -0.07 -0.04 6.97 6.78 1na7A1 GLN 207 HE22 -0.07 0.11 -0.16 -0.04 7.69 7.53 1na7A1 MET 208 H -1.04 0.12 -0.29 -0.55 8.47 6.71 1na7A1 MET 208 HA -0.18 0.38 0.97 -0.75 4.52 4.94 1na7A1 MET 208 HB2 -0.30 -0.00 0.03 -0.04 2.15 1.84 1na7A1 MET 208 HB3 -0.18 -0.04 0.20 -0.04 2.03 1.96 1na7A1 MET 208 HG2 0.09 0.01 0.06 -0.04 2.63 2.74 1na7A1 MET 208 HG3 -0.04 0.25 -0.14 -0.04 2.56 2.59 1na7A1 MET 208 HE3 -0.08 0.03 -0.02 -0.04 2.10 2.00 1na7A1 TYR 209 H -0.44 0.29 -0.23 -0.55 8.29 7.36 1na7A1 TYR 209 HA -0.10 0.14 0.74 -0.75 4.56 4.59 1na7A1 TYR 209 HB2 -0.13 -0.18 0.08 -0.04 3.06 2.79 1na7A1 TYR 209 HB3 -0.10 0.07 -0.10 -0.04 2.98 2.81 1na7A1 TYR 209 HD2 -0.10 0.10 -0.26 -0.04 7.15 6.85 1na7A1 TYR 209 HE2 -0.11 0.01 -0.26 -0.04 6.85 6.45 1na7A1 ASP 210 H 0.09 0.05 0.06 -0.55 8.40 8.05 1na7A1 ASP 210 HA -0.33 0.31 0.71 -0.75 4.63 4.57 1na7A1 ASP 210 HB2 -0.98 -0.14 0.20 -0.04 2.71 1.75 1na7A1 ASP 210 HB3 -0.41 0.18 -0.25 -0.04 2.70 2.18 1na7A1 TYR 211 H -0.78 0.25 0.14 -0.55 8.29 7.34 1na7A1 TYR 211 HA -0.39 0.07 0.44 -0.75 4.56 3.93 1na7A1 TYR 211 HB2 -0.22 -0.02 0.10 -0.04 3.06 2.88 1na7A1 TYR 211 HB3 -1.02 0.01 0.10 -0.04 2.98 2.03 1na7A1 TYR 211 HD2 -0.37 -0.04 0.01 -0.04 7.15 6.72 1na7A1 TYR 211 HE2 0.01 0.13 -0.14 -0.04 6.85 6.81 1na7A1 SER 212 H 0.04 0.10 -0.22 -0.55 8.46 7.84 1na7A1 SER 212 HA 0.12 0.08 0.38 -0.75 4.49 4.31 1na7A1 SER 212 HB2 0.14 0.10 0.18 -0.04 3.95 4.33 1na7A1 SER 212 HB3 0.12 0.08 0.14 -0.04 3.93 4.23 1na7A1 LEU 213 H 0.01 0.43 -0.53 -0.55 8.37 7.73 1na7A1 LEU 213 HA -0.01 0.05 0.49 -0.75 4.35 4.13 1na7A1 LEU 213 HB2 -0.23 0.02 0.10 -0.04 1.64 1.49 1na7A1 LEU 213 HB3 -0.08 0.03 0.13 -0.04 1.64 1.67 1na7A1 LEU 213 HG -0.10 -0.06 -0.22 -0.04 1.64 1.22 1na7A1 LEU 213 HD13 -0.25 -0.00 0.10 -0.04 0.93 0.74 1na7A1 LEU 213 HD23 -0.54 0.03 -0.06 -0.04 0.89 0.27 1na7A1 ASP 214 H 0.08 0.37 0.06 -0.55 8.40 8.36 1na7A1 ASP 214 HA 0.06 -0.01 0.48 -0.75 4.63 4.41 1na7A1 ASP 214 HB2 0.30 0.18 0.16 -0.04 2.71 3.31 1na7A1 ASP 214 HB3 0.09 0.01 0.08 -0.04 2.70 2.84 1na7A1 MET 215 H 0.14 0.19 -0.39 -0.55 8.47 7.85 1na7A1 MET 215 HA 0.04 0.01 0.39 -0.75 4.52 4.20 1na7A1 MET 215 HB2 0.11 0.19 0.15 -0.04 2.15 2.56 1na7A1 MET 215 HB3 0.03 0.08 0.03 -0.04 2.03 2.13 1na7A1 MET 215 HG2 0.18 -0.07 -0.02 -0.04 2.63 2.68 1na7A1 MET 215 HG3 0.11 0.26 0.00 -0.04 2.56 2.89 1na7A1 MET 215 HE3 0.05 0.03 -0.30 -0.04 2.10 1.85 1na7A1 TRP 216 H 0.25 0.37 -0.11 -0.55 7.97 7.93 1na7A1 TRP 216 HA -0.04 0.19 0.50 -0.75 4.62 4.52 1na7A1 TRP 216 HB2 -0.04 0.06 0.17 -0.04 3.23 3.39 1na7A1 TRP 216 HB3 -0.03 0.07 0.21 -0.04 3.23 3.44 1na7A1 TRP 216 HD1 0.03 0.13 -0.54 -0.04 7.22 6.80 1na7A1 TRP 216 HE1 0.03 0.10 -0.27 -0.04 10.20 10.01 1na7A1 TRP 216 HE3 -0.09 0.14 0.03 -0.04 7.59 7.63 1na7A1 TRP 216 HZ2 -0.50 0.02 -0.07 -0.04 7.44 6.84 1na7A1 TRP 216 HZ3 -0.24 -0.05 -0.58 -0.04 7.13 6.21 1na7A1 TRP 216 HH2 -0.39 0.00 -0.13 -0.04 7.19 6.63 1na7A1 SER 217 H 0.24 0.36 -0.09 -0.55 8.46 8.43 1na7A1 SER 217 HA 0.31 0.06 0.46 -0.75 4.49 4.56 1na7A1 SER 217 HB2 0.06 -0.02 0.16 -0.04 3.95 4.11 1na7A1 SER 217 HB3 0.16 0.20 0.18 -0.04 3.93 4.43 1na7A1 LEU 218 H -0.00 0.44 -0.29 -0.55 8.37 7.97 1na7A1 LEU 218 HA -0.05 -0.02 0.42 -0.75 4.35 3.94 1na7A1 LEU 218 HB2 -0.04 0.01 0.06 -0.04 1.64 1.63 1na7A1 LEU 218 HB3 -0.07 0.20 0.10 -0.04 1.64 1.84 1na7A1 LEU 218 HG -0.05 -0.02 -0.16 -0.04 1.64 1.37 1na7A1 LEU 218 HD13 -0.04 -0.02 -0.01 -0.04 0.93 0.82 1na7A1 LEU 218 HD23 0.03 0.01 -0.08 -0.04 0.89 0.80 1na7A1 GLY 219 H -0.21 0.47 -0.28 -0.55 8.43 7.86 1na7A1 GLY 219 HA2 -0.40 -0.01 0.48 -0.51 4.01 3.57 1na7A1 GLY 219 HA3 -0.46 0.10 0.27 -0.51 4.01 3.41 1na7A1 CYS 220 H -0.25 0.42 -0.27 -0.55 8.50 7.86 1na7A1 CYS 220 HA -0.28 0.02 0.45 -0.75 4.58 4.02 1na7A1 CYS 220 HB2 0.18 0.16 0.22 -0.04 2.97 3.49 1na7A1 CYS 220 HB3 -0.14 -0.09 0.03 -0.04 2.97 2.72 1na7A1 MET 221 H 0.04 0.49 -0.15 -0.55 8.47 8.30 1na7A1 MET 221 HA 0.16 -0.01 0.44 -0.75 4.52 4.37 1na7A1 MET 221 HB2 -0.01 0.14 0.13 -0.04 2.15 2.37 1na7A1 MET 221 HB3 0.03 -0.03 -0.06 -0.04 2.03 1.93 1na7A1 MET 221 HG2 0.09 -0.09 0.01 -0.04 2.63 2.60 1na7A1 MET 221 HG3 0.08 0.18 -0.00 -0.04 2.56 2.78 1na7A1 MET 221 HE3 -0.02 0.01 -0.11 -0.04 2.10 1.95 1na7A1 LEU 222 H -0.17 0.51 -0.19 -0.55 8.37 7.97 1na7A1 LEU 222 HA -0.18 0.01 0.43 -0.75 4.35 3.86 1na7A1 LEU 222 HB2 -0.17 0.07 0.11 -0.04 1.64 1.61 1na7A1 LEU 222 HB3 -0.37 0.11 0.16 -0.04 1.64 1.51 1na7A1 LEU 222 HG -0.43 -0.04 -0.19 -0.04 1.64 0.94 1na7A1 LEU 222 HD13 -0.10 -0.01 -0.00 -0.04 0.93 0.77 1na7A1 LEU 222 HD23 -0.41 0.00 -0.03 -0.04 0.89 0.41 1na7A1 ALA 223 H -0.43 0.57 -0.14 -0.55 8.40 7.86 1na7A1 ALA 223 HA -0.72 -0.01 0.38 -0.75 4.34 3.24 1na7A1 ALA 223 HB3 -1.04 0.05 0.11 -0.04 1.41 0.48 1na7A1 SER 224 H -0.24 0.34 -0.35 -0.55 8.46 7.66 1na7A1 SER 224 HA -0.06 0.11 0.50 -0.75 4.49 4.28 1na7A1 SER 224 HB2 -0.04 -0.06 -0.12 -0.04 3.95 3.68 1na7A1 SER 224 HB3 -0.03 -0.13 0.17 -0.04 3.93 3.90 1na7A1 MET 225 H -0.30 0.39 -0.16 -0.55 8.47 7.85 1na7A1 MET 225 HA -0.45 0.13 0.55 -0.75 4.52 4.00 1na7A1 MET 225 HB2 -0.24 0.06 0.25 -0.04 2.15 2.18 1na7A1 MET 225 HB3 -0.20 -0.05 0.01 -0.04 2.03 1.75 1na7A1 MET 225 HG2 -0.36 0.01 0.09 -0.04 2.63 2.34 1na7A1 MET 225 HG3 -0.65 -0.02 0.05 -0.04 2.56 1.90 1na7A1 MET 225 HE3 0.06 -0.00 -0.02 -0.04 2.10 2.10 1na7A1 ILE 226 H -0.40 0.62 0.05 -0.55 8.25 7.97 1na7A1 ILE 226 HA -0.29 0.10 0.49 -0.75 4.18 3.72 1na7A1 ILE 226 HB -0.52 -0.00 -0.09 -0.04 1.89 1.23 1na7A1 ILE 226 HG12 -0.75 0.22 0.03 -0.04 1.49 0.95 1na7A1 ILE 226 HG13 -1.54 0.08 -0.13 -0.04 1.21 -0.43 1na7A1 ILE 226 HG23 -0.28 -0.01 0.03 -0.04 0.93 0.62 1na7A1 ILE 226 HD13 -0.93 -0.04 -0.11 -0.04 0.88 -0.25 1na7A1 PHE 227 H -0.35 0.44 -0.19 -0.55 8.34 7.68 1na7A1 PHE 227 HA -0.15 0.10 0.69 -0.75 4.62 4.51 1na7A1 PHE 227 HB2 -0.13 0.17 0.09 -0.04 3.15 3.24 1na7A1 PHE 227 HB3 0.03 0.03 0.07 -0.04 3.06 3.14 1na7A1 PHE 227 HD2 -0.43 0.06 -0.07 -0.04 7.28 6.80 1na7A1 PHE 227 HE2 -0.31 -0.04 -0.08 -0.04 7.38 6.91 1na7A1 PHE 227 HZ -0.15 -0.08 -0.03 -0.04 7.32 7.01 1na7A1 ARG 228 H -0.10 0.14 -0.63 -0.55 8.46 7.32 1na7A1 ARG 228 HA -0.06 0.17 0.32 -0.75 4.34 4.01 1na7A1 ARG 228 HB2 0.07 0.03 -0.34 -0.04 1.90 1.63 1na7A1 ARG 228 HB3 0.08 -0.10 0.22 -0.04 1.80 1.96 1na7A1 ARG 228 HG2 -0.04 0.06 -0.07 -0.04 1.67 1.58 1na7A1 ARG 228 HG3 0.05 -0.07 0.01 -0.04 1.67 1.61 1na7A1 ARG 228 HD2 -0.13 0.27 0.19 -0.04 3.22 3.50 1na7A1 ARG 228 HD3 -0.04 -0.12 0.12 -0.04 3.22 3.14 1na7A1 LYS 229 H 0.03 0.24 -0.11 -0.55 8.42 8.02 1na7A1 LYS 229 HA 0.04 0.13 0.73 -0.75 4.32 4.47 1na7A1 LYS 229 HB2 0.15 0.11 -0.25 -0.04 1.87 1.84 1na7A1 LYS 229 HB3 0.21 -0.09 -0.01 -0.04 1.79 1.87 1na7A1 LYS 229 HG2 -0.08 0.12 -0.23 -0.04 1.46 1.22 1na7A1 LYS 229 HG3 -0.00 -0.01 -0.06 -0.04 1.46 1.34 1na7A1 LYS 229 HD2 0.04 0.02 -0.05 -0.04 1.69 1.66 1na7A1 LYS 229 HD3 -0.19 -0.04 -0.03 -0.04 1.68 1.38 1na7A1 LYS 229 HE2 -0.27 0.08 0.00 -0.04 2.99 2.76 1na7A1 LYS 229 HE3 -0.06 -0.03 -0.04 -0.04 2.99 2.82 1na7A1 GLU 230 H -0.01 0.24 -0.04 -0.55 8.60 8.25 1na7A1 GLU 230 HA -0.02 0.02 0.90 -0.75 4.29 4.44 1na7A1 GLU 230 HB2 0.20 -0.06 -0.03 -0.04 2.09 2.15 1na7A1 GLU 230 HB3 0.13 0.04 -0.14 -0.04 1.99 1.98 1na7A1 GLU 230 HG2 0.06 0.06 -0.00 -0.04 2.34 2.41 1na7A1 GLU 230 HG3 0.01 0.03 0.12 -0.04 2.34 2.46 1na7A1 PRO 231 HA -0.09 0.05 0.36 -0.51 4.44 4.25 1na7A1 PRO 231 HB2 -0.43 0.05 -0.08 -0.04 2.28 1.77 1na7A1 PRO 231 HB3 -0.33 -0.04 0.02 -0.04 2.02 1.63 1na7A1 PRO 231 HG2 -0.78 0.02 -0.33 -0.04 2.03 0.90 1na7A1 PRO 231 HG3 -1.93 -0.01 -0.03 -0.04 2.03 0.01 1na7A1 PRO 231 HD2 -1.12 0.14 0.35 -0.04 3.68 3.00 1na7A1 PRO 231 HD3 -0.58 0.04 -0.02 -0.04 3.65 3.05 1na7A1 PHE 232 H -0.09 0.09 0.10 -0.55 8.34 7.88 1na7A1 PHE 232 HA -0.30 0.17 0.38 -0.75 4.62 4.12 1na7A1 PHE 232 HB2 -0.35 0.02 0.01 -0.04 3.15 2.80 1na7A1 PHE 232 HB3 -0.66 -0.05 0.10 -0.04 3.06 2.41 1na7A1 PHE 232 HD2 -1.19 0.03 -0.11 -0.04 7.28 5.97 1na7A1 PHE 232 HE2 -0.63 0.01 -0.05 -0.04 7.38 6.66 1na7A1 PHE 232 HZ -1.17 -0.02 -0.05 -0.04 7.32 6.04 1na7A1 PHE 233 H -0.12 0.10 -0.07 -0.55 8.34 7.70 1na7A1 PHE 233 HA -0.21 0.18 0.71 -0.75 4.62 4.54 1na7A1 PHE 233 HB2 0.04 0.08 0.20 -0.04 3.15 3.43 1na7A1 PHE 233 HB3 0.04 -0.01 -0.01 -0.04 3.06 3.04 1na7A1 PHE 233 HD2 -0.01 0.08 -0.09 -0.04 7.28 7.22 1na7A1 PHE 233 HE2 -0.12 0.01 -0.05 -0.04 7.38 7.18 1na7A1 PHE 233 HZ 0.20 0.02 -0.05 -0.04 7.32 7.45 1na7A1 HIS 234 H 0.01 0.29 -0.15 -0.55 8.41 8.02 1na7A1 HIS 234 HA -0.28 0.09 0.67 -0.75 4.63 4.35 1na7A1 HIS 234 HB2 -0.20 0.18 -0.12 -0.04 3.26 3.08 1na7A1 HIS 234 HB3 -0.12 -0.03 0.12 -0.04 3.20 3.13 1na7A1 HIS 234 HD2 -0.06 0.02 -0.04 -0.04 6.97 6.84 1na7A1 HIS 234 HE1 0.08 -0.05 -0.05 -0.04 7.75 7.69 1na7A1 GLY 235 H 0.38 0.21 -0.07 -0.55 8.43 8.41 1na7A1 GLY 235 HA2 -0.12 0.15 0.50 -0.51 4.01 4.03 1na7A1 GLY 235 HA3 0.08 -0.02 0.09 -0.51 4.01 3.65 1na7A1 HIS 236 H -0.16 0.11 0.09 -0.55 8.41 7.90 1na7A1 HIS 236 HA 0.03 0.17 0.52 -0.75 4.63 4.60 1na7A1 HIS 236 HB2 0.03 -0.08 0.05 -0.04 3.26 3.22 1na7A1 HIS 236 HB3 0.02 0.03 0.06 -0.04 3.20 3.26 1na7A1 HIS 236 HD2 -0.11 0.04 -0.11 -0.04 6.97 6.74 1na7A1 HIS 236 HE1 -0.01 0.02 -0.00 -0.04 7.75 7.71 1na7A1 ASP 237 H 0.09 0.13 -0.02 -0.55 8.40 8.05 1na7A1 ASP 237 HA 0.03 0.21 0.39 -0.75 4.63 4.51 1na7A1 ASP 237 HB2 0.07 -0.02 0.15 -0.04 2.71 2.88 1na7A1 ASP 237 HB3 0.09 0.26 -0.06 -0.04 2.70 2.95 1na7A1 ASN 238 H -0.12 0.25 0.11 -0.55 8.53 8.23 1na7A1 ASN 238 HA -0.10 0.12 0.33 -0.75 4.76 4.35 1na7A1 ASN 238 HB2 -0.51 -0.01 0.10 -0.04 2.88 2.41 1na7A1 ASN 238 HB3 -0.32 0.12 0.01 -0.04 2.79 2.56 1na7A1 ASN 238 HD21 -0.09 0.05 -0.04 -0.04 7.03 6.91 1na7A1 ASN 238 HD22 -0.15 0.06 -0.03 -0.04 7.74 7.58 1na7A1 TYR 239 H -0.20 0.06 -0.23 -0.55 8.29 7.36 1na7A1 TYR 239 HA -0.08 0.22 0.57 -0.75 4.56 4.52 1na7A1 TYR 239 HB2 -0.16 -0.03 0.02 -0.04 3.06 2.85 1na7A1 TYR 239 HB3 -0.58 0.06 -0.03 -0.04 2.98 2.39 1na7A1 TYR 239 HD2 -0.54 0.00 -0.01 -0.04 7.15 6.56 1na7A1 TYR 239 HE2 -0.10 0.05 -0.01 -0.04 6.85 6.75 1na7A1 ASP 240 H 0.12 0.04 -0.15 -0.55 8.40 7.87 1na7A1 ASP 240 HA 0.13 0.14 0.41 -0.75 4.63 4.55 1na7A1 ASP 240 HB2 0.11 0.06 0.08 -0.04 2.71 2.92 1na7A1 ASP 240 HB3 0.06 -0.20 0.13 -0.04 2.70 2.64 1na7A1 GLN 241 H 0.05 0.34 -0.40 -0.55 8.47 7.91 1na7A1 GLN 241 HA 0.05 0.00 0.33 -0.75 4.36 3.99 1na7A1 GLN 241 HB2 0.03 -0.03 -0.05 -0.04 2.15 2.06 1na7A1 GLN 241 HB3 0.01 0.18 0.04 -0.04 2.02 2.21 1na7A1 GLN 241 HG2 0.02 0.18 -0.02 -0.04 2.40 2.55 1na7A1 GLN 241 HG3 0.01 0.01 -0.17 -0.04 2.39 2.20 1na7A1 GLN 241 HE21 0.31 0.25 0.02 -0.04 6.97 7.51 1na7A1 GLN 241 HE22 0.15 0.04 -0.02 -0.04 7.69 7.82 1na7A1 LEU 242 H 0.14 0.33 -0.30 -0.55 8.37 7.99 1na7A1 LEU 242 HA -0.07 0.07 0.38 -0.75 4.35 3.98 1na7A1 LEU 242 HB2 0.08 0.06 0.09 -0.04 1.64 1.83 1na7A1 LEU 242 HB3 0.18 0.13 0.09 -0.04 1.64 1.99 1na7A1 LEU 242 HG -0.27 -0.03 -0.16 -0.04 1.64 1.14 1na7A1 LEU 242 HD13 -0.13 -0.02 0.01 -0.04 0.93 0.75 1na7A1 LEU 242 HD23 -0.94 0.01 -0.07 -0.04 0.89 -0.15 1na7A1 VAL 243 H 0.14 0.25 -0.26 -0.55 8.24 7.82 1na7A1 VAL 243 HA 0.03 0.06 0.41 -0.75 4.13 3.87 1na7A1 VAL 243 HB 0.08 0.04 0.09 -0.04 2.12 2.29 1na7A1 VAL 243 HG13 0.04 0.04 -0.07 -0.04 0.97 0.94 1na7A1 VAL 243 HG23 0.22 0.02 -0.08 -0.04 0.95 1.08 1na7A1 ARG 244 H 0.00 0.46 -0.30 -0.55 8.46 8.07 1na7A1 ARG 244 HA -0.04 0.05 0.38 -0.75 4.34 3.98 1na7A1 ARG 244 HB2 0.02 0.19 0.07 -0.04 1.90 2.13 1na7A1 ARG 244 HB3 0.08 -0.05 -0.11 -0.04 1.80 1.67 1na7A1 ARG 244 HG2 -0.05 0.06 -0.03 -0.04 1.67 1.60 1na7A1 ARG 244 HG3 -0.03 -0.08 -0.54 -0.04 1.67 0.98 1na7A1 ARG 244 HD2 -0.06 0.07 -0.08 -0.04 3.22 3.11 1na7A1 ARG 244 HD3 -0.03 -0.01 0.00 -0.04 3.22 3.14 1na7A1 ILE 245 H -0.12 0.42 -0.24 -0.55 8.25 7.76 1na7A1 ILE 245 HA -0.44 0.05 0.41 -0.75 4.18 3.45 1na7A1 ILE 245 HB -0.17 0.12 0.11 -0.04 1.89 1.90 1na7A1 ILE 245 HG12 -1.57 -0.04 -0.01 -0.04 1.49 -0.18 1na7A1 ILE 245 HG13 -0.34 0.24 0.06 -0.04 1.21 1.13 1na7A1 ILE 245 HG23 -0.25 -0.02 -0.09 -0.04 0.93 0.52 1na7A1 ILE 245 HD13 -0.17 -0.01 -0.07 -0.04 0.88 0.58 1na7A1 ALA 246 H -0.04 0.46 -0.30 -0.55 8.40 7.97 1na7A1 ALA 246 HA 0.15 0.04 0.35 -0.75 4.34 4.12 1na7A1 ALA 246 HB3 0.02 0.01 -0.02 -0.04 1.41 1.38 1na7A1 LYS 247 H -0.12 0.46 -0.38 -0.55 8.42 7.83 1na7A1 LYS 247 HA -0.32 -0.00 0.46 -0.75 4.32 3.70 1na7A1 LYS 247 HB2 -0.10 0.17 0.11 -0.04 1.87 2.01 1na7A1 LYS 247 HB3 -0.10 -0.05 0.07 -0.04 1.79 1.66 1na7A1 LYS 247 HG2 -0.84 -0.07 0.00 -0.04 1.46 0.52 1na7A1 LYS 247 HG3 -0.47 0.23 0.03 -0.04 1.46 1.21 1na7A1 LYS 247 HD2 -0.10 -0.03 -0.07 -0.04 1.69 1.45 1na7A1 LYS 247 HD3 -0.08 -0.03 -0.01 -0.04 1.68 1.52 1na7A1 LYS 247 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.89 1na7A1 LYS 247 HE3 -0.07 0.04 -0.06 -0.04 2.99 2.87 1na7A1 VAL 248 H 0.04 0.20 -0.59 -0.55 8.24 7.35 1na7A1 VAL 248 HA 0.16 0.15 0.87 -0.75 4.13 4.55 1na7A1 VAL 248 HB 0.31 0.05 0.17 -0.04 2.12 2.60 1na7A1 VAL 248 HG13 0.31 -0.02 -0.11 -0.04 0.97 1.11 1na7A1 VAL 248 HG23 0.09 0.04 -0.08 -0.04 0.95 0.95 1na7A1 LEU 249 H 0.05 0.71 0.24 -0.55 8.37 8.82 1na7A1 LEU 249 HA -0.09 0.10 0.64 -0.75 4.35 4.25 1na7A1 LEU 249 HB2 -0.18 0.06 0.07 -0.04 1.64 1.54 1na7A1 LEU 249 HB3 -0.13 -0.11 0.11 -0.04 1.64 1.47 1na7A1 LEU 249 HG 0.02 0.01 0.04 -0.04 1.64 1.68 1na7A1 LEU 249 HD13 -0.35 -0.03 -0.08 -0.04 0.93 0.43 1na7A1 LEU 249 HD23 -0.04 0.01 0.01 -0.04 0.89 0.83 1na7A1 GLY 250 H 0.10 0.26 -0.35 -0.55 8.43 7.89 1na7A1 GLY 250 HA2 0.13 0.24 0.03 -0.51 4.01 3.89 1na7A1 GLY 250 HA3 0.09 -0.07 0.44 -0.51 4.01 3.96 1na7A1 THR 251 H 0.10 0.57 0.32 -0.55 8.28 8.73 1na7A1 THR 251 HA -0.13 0.15 0.70 -0.75 4.39 4.35 1na7A1 THR 251 HB 0.03 0.02 0.08 -0.04 4.32 4.41 1na7A1 THR 251 HG23 0.12 0.09 -0.11 -0.04 1.22 1.27 1na7A1 GLU 252 H 0.07 0.20 0.06 -0.55 8.60 8.38 1na7A1 GLU 252 HA 0.17 0.10 0.45 -0.75 4.29 4.25 1na7A1 GLU 252 HB2 0.05 -0.00 0.15 -0.04 2.09 2.25 1na7A1 GLU 252 HB3 0.06 0.04 0.02 -0.04 1.99 2.07 1na7A1 GLU 252 HG2 0.06 -0.02 0.09 -0.04 2.34 2.43 1na7A1 GLU 252 HG3 0.04 0.05 0.05 -0.04 2.34 2.44 1na7A1 ASP 253 H 0.06 0.23 -0.17 -0.55 8.40 7.97 1na7A1 ASP 253 HA 0.04 0.05 0.42 -0.75 4.63 4.39 1na7A1 ASP 253 HB2 0.30 0.21 0.01 -0.04 2.71 3.18 1na7A1 ASP 253 HB3 0.30 -0.06 0.05 -0.04 2.70 2.94 1na7A1 LEU 254 H -0.34 0.17 -0.63 -0.55 8.37 7.02 1na7A1 LEU 254 HA -1.13 0.02 0.45 -0.75 4.35 2.94 1na7A1 LEU 254 HB2 -0.84 0.10 0.10 -0.04 1.64 0.95 1na7A1 LEU 254 HB3 -0.63 0.17 0.20 -0.04 1.64 1.33 1na7A1 LEU 254 HG -0.57 -0.02 -0.19 -0.04 1.64 0.83 1na7A1 LEU 254 HD13 -0.41 -0.01 -0.00 -0.04 0.93 0.46 1na7A1 LEU 254 HD23 -0.40 0.01 -0.03 -0.04 0.89 0.43 1na7A1 TYR 255 H -0.28 0.54 -0.00 -0.55 8.29 7.99 1na7A1 TYR 255 HA -0.08 0.04 0.44 -0.75 4.56 4.20 1na7A1 TYR 255 HB2 -0.05 0.10 0.18 -0.04 3.06 3.25 1na7A1 TYR 255 HB3 -0.05 -0.01 0.02 -0.04 2.98 2.90 1na7A1 TYR 255 HD2 -0.05 -0.01 0.00 -0.04 7.15 7.05 1na7A1 TYR 255 HE2 -0.03 -0.02 -0.02 -0.04 6.85 6.74 1na7A1 ASP 256 H 0.04 0.47 -0.14 -0.55 8.40 8.22 1na7A1 ASP 256 HA 0.04 0.03 0.39 -0.75 4.63 4.34 1na7A1 ASP 256 HB2 0.05 0.06 0.13 -0.04 2.71 2.91 1na7A1 ASP 256 HB3 0.05 -0.02 -0.01 -0.04 2.70 2.69 1na7A1 TYR 257 H 0.07 0.42 -0.38 -0.55 8.29 7.85 1na7A1 TYR 257 HA 0.05 -0.02 0.39 -0.75 4.56 4.23 1na7A1 TYR 257 HB2 0.01 -0.06 0.08 -0.04 3.06 3.04 1na7A1 TYR 257 HB3 -0.20 0.22 0.20 -0.04 2.98 3.16 1na7A1 TYR 257 HD2 0.04 -0.00 -0.06 -0.04 7.15 7.09 1na7A1 TYR 257 HE2 -0.06 -0.09 -0.13 -0.04 6.85 6.53 1na7A1 ILE 258 H -0.06 0.61 0.02 -0.55 8.25 8.27 1na7A1 ILE 258 HA -0.32 0.00 0.36 -0.75 4.18 3.47 1na7A1 ILE 258 HB -0.07 0.11 -0.03 -0.04 1.89 1.85 1na7A1 ILE 258 HG12 -0.03 0.02 0.23 -0.04 1.49 1.67 1na7A1 ILE 258 HG13 0.03 0.12 -0.02 -0.04 1.21 1.30 1na7A1 ILE 258 HG23 -0.15 0.02 -0.02 -0.04 0.93 0.74 1na7A1 ILE 258 HD13 0.14 -0.02 -0.01 -0.04 0.88 0.94 1na7A1 ASP 259 H -0.00 0.76 -0.16 -0.55 8.40 8.45 1na7A1 ASP 259 HA -0.01 0.05 0.49 -0.75 4.63 4.40 1na7A1 ASP 259 HB2 0.00 0.06 0.19 -0.04 2.71 2.92 1na7A1 ASP 259 HB3 -0.02 -0.05 -0.01 -0.04 2.70 2.59 1na7A1 LYS 260 H -0.06 0.63 -0.03 -0.55 8.42 8.41 1na7A1 LYS 260 HA -0.15 -0.02 0.37 -0.75 4.32 3.77 1na7A1 LYS 260 HB2 -0.11 0.02 0.17 -0.04 1.87 1.91 1na7A1 LYS 260 HB3 -0.22 0.11 0.17 -0.04 1.79 1.81 1na7A1 LYS 260 HG2 -0.78 0.04 -0.21 -0.04 1.46 0.47 1na7A1 LYS 260 HG3 -0.25 -0.04 0.05 -0.04 1.46 1.18 1na7A1 LYS 260 HD2 -0.09 -0.03 -0.01 -0.04 1.69 1.52 1na7A1 LYS 260 HD3 -0.16 -0.05 -0.01 -0.04 1.68 1.41 1na7A1 LYS 260 HE2 -0.41 0.04 -0.05 -0.04 2.99 2.54 1na7A1 LYS 260 HE3 -0.16 0.01 -0.01 -0.04 2.99 2.79 1na7A1 TYR 261 H -0.12 0.32 -0.35 -0.55 8.29 7.59 1na7A1 TYR 261 HA -0.07 0.14 0.70 -0.75 4.56 4.56 1na7A1 TYR 261 HB2 -0.43 0.01 0.03 -0.04 3.06 2.63 1na7A1 TYR 261 HB3 -0.29 0.05 0.07 -0.04 2.98 2.77 1na7A1 TYR 261 HD2 -0.31 0.28 -0.05 -0.04 7.15 7.03 1na7A1 TYR 261 HE2 0.10 -0.06 -0.06 -0.04 6.85 6.79 1na7A1 ASN 262 H -0.05 0.49 -0.43 -0.55 8.53 8.00 1na7A1 ASN 262 HA -0.01 0.03 0.40 -0.75 4.76 4.43 1na7A1 ASN 262 HB2 0.03 -0.07 -0.14 -0.04 2.88 2.66 1na7A1 ASN 262 HB3 0.02 -0.04 0.27 -0.04 2.79 3.00 1na7A1 ASN 262 HD21 -0.01 -0.08 0.03 -0.04 7.03 6.93 1na7A1 ASN 262 HD22 -0.00 -0.03 0.07 -0.04 7.74 7.74 1na7A1 ILE 263 H -0.02 0.74 0.06 -0.55 8.25 8.49 1na7A1 ILE 263 HA 0.05 0.13 0.69 -0.75 4.18 4.30 1na7A1 ILE 263 HB -0.09 -0.12 0.03 -0.04 1.89 1.67 1na7A1 ILE 263 HG12 0.14 0.06 -0.12 -0.04 1.49 1.53 1na7A1 ILE 263 HG13 -0.01 -0.01 -0.27 -0.04 1.21 0.87 1na7A1 ILE 263 HG23 0.02 -0.01 -0.18 -0.04 0.93 0.72 1na7A1 ILE 263 HD13 -0.42 -0.02 -0.11 -0.04 0.88 0.29 1na7A1 GLU 264 H 0.04 0.24 0.10 -0.55 8.60 8.44 1na7A1 GLU 264 HA 0.03 0.10 0.89 -0.75 4.29 4.56 1na7A1 GLU 264 HB2 0.03 0.02 -0.03 -0.04 2.09 2.07 1na7A1 GLU 264 HB3 0.04 0.01 0.05 -0.04 1.99 2.05 1na7A1 GLU 264 HG2 0.03 -0.04 -0.02 -0.04 2.34 2.26 1na7A1 GLU 264 HG3 0.04 0.03 -0.00 -0.04 2.34 2.36 1na7A1 LEU 265 H 0.05 0.09 0.04 -0.55 8.37 8.00 1na7A1 LEU 265 HA 0.10 0.08 0.42 -0.75 4.35 4.19 1na7A1 LEU 265 HB2 0.08 -0.02 0.03 -0.04 1.64 1.68 1na7A1 LEU 265 HB3 0.17 0.06 -0.11 -0.04 1.64 1.72 1na7A1 LEU 265 HG -0.25 -0.01 0.04 -0.04 1.64 1.38 1na7A1 LEU 265 HD13 -0.11 0.01 -0.06 -0.04 0.93 0.74 1na7A1 LEU 265 HD23 -0.13 0.02 -0.02 -0.04 0.89 0.72 1na7A1 ASP 266 H 0.27 0.08 0.16 -0.55 8.40 8.36 1na7A1 ASP 266 HA 0.08 0.23 0.60 -0.75 4.63 4.79 1na7A1 ASP 266 HB2 0.06 0.06 0.12 -0.04 2.71 2.91 1na7A1 ASP 266 HB3 0.13 0.09 0.14 -0.04 2.70 3.02 1na7A1 PRO 267 HA 0.05 0.11 0.29 -0.51 4.44 4.39 1na7A1 PRO 267 HB2 -0.00 -0.03 0.04 -0.04 2.28 2.24 1na7A1 PRO 267 HB3 0.01 0.06 0.03 -0.04 2.02 2.08 1na7A1 PRO 267 HG2 0.01 0.05 0.07 -0.04 2.03 2.12 1na7A1 PRO 267 HG3 0.03 0.09 0.09 -0.04 2.03 2.19 1na7A1 PRO 267 HD2 0.02 0.07 0.18 -0.04 3.68 3.90 1na7A1 PRO 267 HD3 0.04 0.26 0.24 -0.04 3.65 4.15 1na7A1 ARG 268 H -0.04 0.12 -0.28 -0.55 8.46 7.71 1na7A1 ARG 268 HA -0.05 0.11 0.33 -0.75 4.34 3.98 1na7A1 ARG 268 HB2 -0.21 0.02 0.03 -0.04 1.90 1.71 1na7A1 ARG 268 HB3 -0.18 0.02 0.05 -0.04 1.80 1.64 1na7A1 ARG 268 HG2 -0.34 -0.00 -0.12 -0.04 1.67 1.17 1na7A1 ARG 268 HG3 -0.57 -0.04 -0.19 -0.04 1.67 0.83 1na7A1 ARG 268 HD2 -0.29 0.00 -0.03 -0.04 3.22 2.86 1na7A1 ARG 268 HD3 -0.79 0.02 -0.04 -0.04 3.22 2.37 1na7A1 PHE 269 H 0.12 0.49 -0.24 -0.55 8.34 8.15 1na7A1 PHE 269 HA 0.05 -0.00 0.39 -0.75 4.62 4.30 1na7A1 PHE 269 HB2 0.06 0.20 0.14 -0.04 3.15 3.50 1na7A1 PHE 269 HB3 0.05 -0.01 0.09 -0.04 3.06 3.15 1na7A1 PHE 269 HD2 0.09 -0.06 0.07 -0.04 7.28 7.34 1na7A1 PHE 269 HE2 0.08 0.22 0.07 -0.04 7.38 7.72 1na7A1 PHE 269 HZ 0.03 0.04 0.16 -0.04 7.32 7.51 1na7A1 ASN 270 H 0.11 0.32 -1.25 -0.55 8.53 7.16 1na7A1 ASN 270 HA 0.13 0.11 0.96 -0.75 4.76 5.21 1na7A1 ASN 270 HB2 0.11 -0.02 -0.29 -0.04 2.88 2.64 1na7A1 ASN 270 HB3 0.07 0.17 0.07 -0.04 2.79 3.06 1na7A1 ASN 270 HD21 0.03 -0.02 0.01 -0.04 7.03 7.01 1na7A1 ASN 270 HD22 0.05 0.02 -0.03 -0.04 7.74 7.74 1na7A1 ASP 271 H 0.09 0.10 0.06 -0.55 8.40 8.11 1na7A1 ASP 271 HA 0.04 0.12 0.48 -0.75 4.63 4.51 1na7A1 ASP 271 HB2 0.02 0.00 -0.02 -0.04 2.71 2.67 1na7A1 ASP 271 HB3 0.02 -0.02 0.20 -0.04 2.70 2.86 1na7A1 ILE 272 H 0.11 -0.30 0.13 -0.55 8.25 7.64 1na7A1 ILE 272 HA 0.07 0.20 0.59 -0.75 4.18 4.29 1na7A1 ILE 272 HB 0.09 -0.00 0.04 -0.04 1.89 1.97 1na7A1 ILE 272 HG12 0.10 0.19 0.01 -0.04 1.49 1.75 1na7A1 ILE 272 HG13 0.21 0.08 -0.30 -0.04 1.21 1.17 1na7A1 ILE 272 HG23 0.02 0.00 -0.20 -0.04 0.93 0.71 1na7A1 ILE 272 HD13 0.08 -0.02 -0.18 -0.04 0.88 0.72 1na7A1 LEU 273 H 0.15 -0.19 0.01 -0.55 8.37 7.80 1na7A1 LEU 273 HA 0.17 0.08 0.38 -0.75 4.35 4.23 1na7A1 LEU 273 HB2 0.16 0.16 0.15 -0.04 1.64 2.07 1na7A1 LEU 273 HB3 0.12 0.07 0.07 -0.04 1.64 1.87 1na7A1 LEU 273 HG -0.00 -0.02 0.02 -0.04 1.64 1.59 1na7A1 LEU 273 HD13 -0.11 0.03 0.01 -0.04 0.93 0.82 1na7A1 LEU 273 HD23 0.06 -0.01 -0.06 -0.04 0.89 0.84 1na7A1 GLY 274 H 0.09 -0.01 -0.07 -0.55 8.43 7.89 1na7A1 GLY 274 HA2 -0.00 0.01 0.18 -0.51 4.01 3.70 1na7A1 GLY 274 HA3 -0.04 0.16 0.43 -0.51 4.01 4.06 1na7A1 ARG 275 H -0.32 0.23 0.08 -0.55 8.46 7.90 1na7A1 ARG 275 HA -0.06 0.11 0.85 -0.75 4.34 4.49 1na7A1 ARG 275 HB2 -0.10 0.01 0.12 -0.04 1.90 1.89 1na7A1 ARG 275 HB3 -0.04 -0.01 -0.01 -0.04 1.80 1.69 1na7A1 ARG 275 HG2 -0.00 0.05 -0.10 -0.04 1.67 1.58 1na7A1 ARG 275 HG3 -0.03 -0.11 -0.46 -0.04 1.67 1.03 1na7A1 ARG 275 HD2 -0.02 0.01 -0.07 -0.04 3.22 3.10 1na7A1 ARG 275 HD3 -0.04 -0.00 -0.03 -0.04 3.22 3.11 1na7A1 HIS 276 H 0.02 0.10 0.09 -0.55 8.41 8.08 1na7A1 HIS 276 HA 0.02 0.19 0.99 -0.75 4.63 5.07 1na7A1 HIS 276 HB2 0.03 -0.02 0.01 -0.04 3.26 3.25 1na7A1 HIS 276 HB3 0.03 0.19 0.04 -0.04 3.20 3.42 1na7A1 HIS 276 HD2 0.03 -0.04 -0.28 -0.04 6.97 6.63 1na7A1 HIS 276 HE1 0.03 -0.03 -0.05 -0.04 7.75 7.66 1na7A1 SER 277 H 0.07 0.18 0.14 -0.55 8.46 8.29 1na7A1 SER 277 HA 0.04 -0.03 0.61 -0.75 4.49 4.35 1na7A1 SER 277 HB2 0.01 0.05 0.10 -0.04 3.95 4.06 1na7A1 SER 277 HB3 0.01 -0.04 0.09 -0.04 3.93 3.95 1na7A1 ARG 278 H 0.01 0.01 0.15 -0.55 8.46 8.08 1na7A1 ARG 278 HA -0.01 0.18 0.10 -0.75 4.34 3.86 1na7A1 ARG 278 HB2 -0.00 0.16 0.12 -0.04 1.90 2.13 1na7A1 ARG 278 HB3 -0.04 -0.15 0.11 -0.04 1.80 1.68 1na7A1 ARG 278 HG2 -0.21 0.03 -0.37 -0.04 1.67 1.08 1na7A1 ARG 278 HG3 -0.19 0.12 0.13 -0.04 1.67 1.69 1na7A1 ARG 278 HD2 -0.07 -0.11 0.00 -0.04 3.22 3.01 1na7A1 ARG 278 HD3 -0.20 -0.04 -0.04 -0.04 3.22 2.89 1na7A1 LYS 279 H -0.09 0.61 0.24 -0.55 8.42 8.62 1na7A1 LYS 279 HA -0.11 0.06 0.85 -0.75 4.32 4.36 1na7A1 LYS 279 HB2 -0.06 0.07 0.16 -0.04 1.87 2.00 1na7A1 LYS 279 HB3 -0.22 -0.04 0.07 -0.04 1.79 1.56 1na7A1 LYS 279 HG2 -0.06 -0.07 -0.10 -0.04 1.46 1.19 1na7A1 LYS 279 HG3 -0.01 0.23 -0.01 -0.04 1.46 1.63 1na7A1 LYS 279 HD2 -0.02 -0.02 0.03 -0.04 1.69 1.64 1na7A1 LYS 279 HD3 -0.07 0.04 0.04 -0.04 1.68 1.65 1na7A1 LYS 279 HE2 -0.21 -0.02 0.04 -0.04 2.99 2.76 1na7A1 LYS 279 HE3 -0.09 -0.05 0.03 -0.04 2.99 2.84 1na7A1 ARG 280 H -0.15 0.11 0.17 -0.55 8.46 8.03 1na7A1 ARG 280 HA -0.29 0.13 0.58 -0.75 4.34 4.01 1na7A1 ARG 280 HB2 -0.08 -0.03 0.15 -0.04 1.90 1.90 1na7A1 ARG 280 HB3 -0.02 -0.03 0.09 -0.04 1.80 1.80 1na7A1 ARG 280 HG2 -0.06 0.05 0.02 -0.04 1.67 1.63 1na7A1 ARG 280 HG3 -0.09 0.04 0.06 -0.04 1.67 1.64 1na7A1 ARG 280 HD2 -0.04 -0.01 0.05 -0.04 3.22 3.18 1na7A1 ARG 280 HD3 -0.01 -0.01 0.02 -0.04 3.22 3.18 1na7A1 TRP 281 H -0.16 0.20 0.14 -0.55 7.97 7.60 1na7A1 TRP 281 HA 0.06 0.20 0.44 -0.75 4.62 4.58 1na7A1 TRP 281 HB2 0.23 -0.01 0.07 -0.04 3.23 3.48 1na7A1 TRP 281 HB3 0.21 0.07 0.12 -0.04 3.23 3.58 1na7A1 TRP 281 HD1 0.06 -0.07 0.04 -0.04 7.22 7.20 1na7A1 TRP 281 HE1 0.01 0.01 0.03 -0.04 10.20 10.22 1na7A1 TRP 281 HE3 0.11 -0.01 -0.03 -0.04 7.59 7.62 1na7A1 TRP 281 HZ2 -0.04 0.02 0.05 -0.04 7.44 7.43 1na7A1 TRP 281 HZ3 0.02 -0.01 -0.04 -0.04 7.13 7.06 1na7A1 TRP 281 HH2 -0.07 0.09 0.01 -0.04 7.19 7.19 1na7A1 GLU 282 H 0.06 0.11 -0.57 -0.55 8.60 7.65 1na7A1 GLU 282 HA 0.12 0.15 0.63 -0.75 4.29 4.43 1na7A1 GLU 282 HB2 0.08 -0.04 0.02 -0.04 2.09 2.11 1na7A1 GLU 282 HB3 0.01 0.04 -0.02 -0.04 1.99 1.98 1na7A1 GLU 282 HG2 0.03 0.06 0.05 -0.04 2.34 2.44 1na7A1 GLU 282 HG3 0.07 0.01 0.05 -0.04 2.34 2.42 1na7A1 ARG 283 H -0.17 0.35 -0.10 -0.55 8.46 7.98 1na7A1 ARG 283 HA -0.15 0.11 0.45 -0.75 4.34 4.00 1na7A1 ARG 283 HB2 -0.34 0.11 0.18 -0.04 1.90 1.81 1na7A1 ARG 283 HB3 -0.73 0.05 -0.06 -0.04 1.80 1.02 1na7A1 ARG 283 HG2 -0.22 -0.00 0.05 -0.04 1.67 1.45 1na7A1 ARG 283 HG3 -0.19 0.03 0.10 -0.04 1.67 1.57 1na7A1 ARG 283 HD2 -0.11 -0.03 -0.03 -0.04 3.22 3.01 1na7A1 ARG 283 HD3 -0.12 -0.05 0.04 -0.04 3.22 3.05 1na7A1 PHE 284 H -0.21 0.09 -0.54 -0.55 8.34 7.12 1na7A1 PHE 284 HA -0.10 0.17 0.66 -0.75 4.62 4.59 1na7A1 PHE 284 HB2 -0.98 0.05 -0.00 -0.04 3.15 2.18 1na7A1 PHE 284 HB3 -0.66 0.02 0.07 -0.04 3.06 2.45 1na7A1 PHE 284 HD2 -0.02 -0.01 -0.03 -0.04 7.28 7.18 1na7A1 PHE 284 HE2 -0.03 0.02 -0.10 -0.04 7.38 7.23 1na7A1 PHE 284 HZ -0.04 0.05 -0.05 -0.04 7.32 7.23 1na7A1 VAL 285 H -0.01 0.18 -0.59 -0.55 8.24 7.27 1na7A1 VAL 285 HA 0.04 0.08 0.61 -0.75 4.13 4.10 1na7A1 VAL 285 HB 0.06 0.16 0.14 -0.04 2.12 2.44 1na7A1 VAL 285 HG13 0.05 -0.00 -0.05 -0.04 0.97 0.93 1na7A1 VAL 285 HG23 0.24 0.02 0.04 -0.04 0.95 1.20 1na7A1 HIS 286 H -0.31 0.05 0.09 -0.55 8.41 7.69 1na7A1 HIS 286 HA 0.05 0.25 0.66 -0.75 4.63 4.83 1na7A1 HIS 286 HB2 0.04 -0.25 0.24 -0.04 3.26 3.26 1na7A1 HIS 286 HB3 0.04 0.21 -0.09 -0.04 3.20 3.32 1na7A1 HIS 286 HD2 0.08 0.12 -0.14 -0.04 6.97 6.98 1na7A1 HIS 286 HE1 0.08 0.07 -0.11 -0.04 7.75 7.74 1na7A1 SER 287 H 0.26 0.19 0.18 -0.55 8.46 8.54 1na7A1 SER 287 HA 0.12 0.16 0.64 -0.75 4.49 4.66 1na7A1 SER 287 HB2 0.09 0.00 0.14 -0.04 3.95 4.14 1na7A1 SER 287 HB3 0.07 0.04 0.07 -0.04 3.93 4.07 1na7A1 GLU 288 H 0.56 0.09 0.04 -0.55 8.60 8.74 1na7A1 GLU 288 HA 0.17 0.16 0.57 -0.75 4.29 4.44 1na7A1 GLU 288 HB2 0.12 -0.07 0.13 -0.04 2.09 2.23 1na7A1 GLU 288 HB3 0.33 0.14 -0.03 -0.04 1.99 2.39 1na7A1 GLU 288 HG2 0.08 -0.02 0.06 -0.04 2.34 2.42 1na7A1 GLU 288 HG3 0.06 -0.00 0.04 -0.04 2.34 2.39 1na7A1 ASN 289 H 0.03 -0.04 -0.31 -0.55 8.53 7.66 1na7A1 ASN 289 HA 0.02 0.29 0.98 -0.75 4.76 5.30 1na7A1 ASN 289 HB2 -0.11 0.33 0.09 -0.04 2.88 3.16 1na7A1 ASN 289 HB3 -0.04 0.11 -0.22 -0.04 2.79 2.59 1na7A1 ASN 289 HD21 -0.35 0.31 0.22 -0.04 7.03 7.16 1na7A1 ASN 289 HD22 -0.16 0.55 0.11 -0.04 7.74 8.20 1na7A1 GLN 290 H 0.09 0.14 -0.17 -0.55 8.47 7.99 1na7A1 GLN 290 HA 0.02 0.02 0.39 -0.75 4.36 4.04 1na7A1 GLN 290 HB2 0.08 0.31 0.25 -0.04 2.15 2.75 1na7A1 GLN 290 HB3 0.13 -0.00 0.14 -0.04 2.02 2.24 1na7A1 GLN 290 HG2 0.07 -0.01 -0.21 -0.04 2.40 2.21 1na7A1 GLN 290 HG3 0.05 -0.02 0.04 -0.04 2.39 2.42 1na7A1 GLN 290 HE21 0.04 -0.02 -0.01 -0.04 6.97 6.94 1na7A1 GLN 290 HE22 0.04 -0.01 -0.02 -0.04 7.69 7.66 1na7A1 HIS 291 H 0.43 0.14 -0.23 -0.55 8.41 8.20 1na7A1 HIS 291 HA 0.00 0.07 0.38 -0.75 4.63 4.33 1na7A1 HIS 291 HB2 0.00 -0.06 0.11 -0.04 3.26 3.28 1na7A1 HIS 291 HB3 0.01 -0.01 0.09 -0.04 3.20 3.24 1na7A1 HIS 291 HD2 0.01 -0.13 -0.06 -0.04 6.97 6.74 1na7A1 HIS 291 HE1 0.03 0.33 0.04 -0.04 7.75 8.10 1na7A1 LEU 292 H -0.30 0.62 -0.47 -0.55 8.37 7.67 1na7A1 LEU 292 HA -0.18 0.01 0.83 -0.75 4.35 4.25 1na7A1 LEU 292 HB2 -0.30 0.39 0.17 -0.04 1.64 1.86 1na7A1 LEU 292 HB3 -0.24 -0.13 0.14 -0.04 1.64 1.37 1na7A1 LEU 292 HG -1.04 -0.09 -0.10 -0.04 1.64 0.37 1na7A1 LEU 292 HD13 -0.20 0.03 0.01 -0.04 0.93 0.73 1na7A1 LEU 292 HD23 -0.21 -0.01 -0.16 -0.04 0.89 0.47 1na7A1 VAL 293 H -0.10 0.50 0.01 -0.55 8.24 8.11 1na7A1 VAL 293 HA -0.15 0.07 0.94 -0.75 4.13 4.23 1na7A1 VAL 293 HB -0.01 0.06 0.12 -0.04 2.12 2.24 1na7A1 VAL 293 HG13 0.01 -0.04 -0.17 -0.04 0.97 0.73 1na7A1 VAL 293 HG23 -0.14 0.04 -0.17 -0.04 0.95 0.64 1na7A1 SER 294 H -0.07 0.17 0.25 -0.55 8.46 8.27 1na7A1 SER 294 HA -0.00 0.26 0.69 -0.75 4.49 4.68 1na7A1 SER 294 HB2 0.00 0.02 0.12 -0.04 3.95 4.06 1na7A1 SER 294 HB3 -0.01 0.19 -0.16 -0.04 3.93 3.90 1na7A1 PRO 295 HA 0.02 0.09 0.45 -0.51 4.44 4.49 1na7A1 PRO 295 HB2 0.02 0.02 0.08 -0.04 2.28 2.36 1na7A1 PRO 295 HB3 0.03 0.07 0.09 -0.04 2.02 2.16 1na7A1 PRO 295 HG2 0.02 0.09 0.09 -0.04 2.03 2.19 1na7A1 PRO 295 HG3 0.02 0.07 0.08 -0.04 2.03 2.17 1na7A1 PRO 295 HD2 0.01 0.12 0.22 -0.04 3.68 3.98 1na7A1 PRO 295 HD3 0.01 0.22 0.20 -0.04 3.65 4.04 1na7A1 GLU 296 H 0.02 0.17 -0.20 -0.55 8.60 8.05 1na7A1 GLU 296 HA 0.09 0.10 0.45 -0.75 4.29 4.18 1na7A1 GLU 296 HB2 0.12 -0.00 -0.10 -0.04 2.09 2.07 1na7A1 GLU 296 HB3 0.01 0.04 0.00 -0.04 1.99 2.01 1na7A1 GLU 296 HG2 0.03 -0.17 0.02 -0.04 2.34 2.18 1na7A1 GLU 296 HG3 0.01 0.12 -0.06 -0.04 2.34 2.36 1na7A1 ALA 297 H -0.00 0.14 -0.23 -0.55 8.40 7.76 1na7A1 ALA 297 HA -0.72 0.08 0.48 -0.75 4.34 3.43 1na7A1 ALA 297 HB3 -0.13 0.01 0.17 -0.04 1.41 1.42 1na7A1 LEU 298 H -0.14 0.48 -0.08 -0.55 8.37 8.09 1na7A1 LEU 298 HA -0.47 0.07 0.45 -0.75 4.35 3.64 1na7A1 LEU 298 HB2 -0.03 0.09 0.12 -0.04 1.64 1.78 1na7A1 LEU 298 HB3 -0.03 -0.04 -0.01 -0.04 1.64 1.52 1na7A1 LEU 298 HG -0.07 0.03 -0.03 -0.04 1.64 1.52 1na7A1 LEU 298 HD13 0.15 -0.01 -0.14 -0.04 0.93 0.89 1na7A1 LEU 298 HD23 -0.13 0.01 -0.07 -0.04 0.89 0.66 1na7A1 ASP 299 H -0.05 0.45 -0.14 -0.55 8.40 8.10 1na7A1 ASP 299 HA 0.03 0.05 0.42 -0.75 4.63 4.38 1na7A1 ASP 299 HB2 0.07 0.05 0.12 -0.04 2.71 2.90 1na7A1 ASP 299 HB3 0.18 0.03 0.15 -0.04 2.70 3.01 1na7A1 PHE 300 H -0.18 0.47 -0.19 -0.55 8.34 7.89 1na7A1 PHE 300 HA -0.65 0.02 0.42 -0.75 4.62 3.66 1na7A1 PHE 300 HB2 -1.18 -0.00 0.16 -0.04 3.15 2.08 1na7A1 PHE 300 HB3 -0.89 0.10 0.20 -0.04 3.06 2.43 1na7A1 PHE 300 HD2 -0.85 -0.01 0.00 -0.04 7.28 6.38 1na7A1 PHE 300 HE2 -0.07 -0.03 -0.03 -0.04 7.38 7.20 1na7A1 PHE 300 HZ 0.10 -0.01 -0.08 -0.04 7.32 7.28 1na7A1 LEU 301 H -0.53 0.60 -0.06 -0.55 8.37 7.84 1na7A1 LEU 301 HA -0.75 -0.01 0.41 -0.75 4.35 3.25 1na7A1 LEU 301 HB2 -0.73 0.04 0.11 -0.04 1.64 1.02 1na7A1 LEU 301 HB3 -0.92 0.07 0.15 -0.04 1.64 0.90 1na7A1 LEU 301 HG -1.35 0.01 -0.19 -0.04 1.64 0.06 1na7A1 LEU 301 HD13 -0.67 -0.03 0.08 -0.04 0.93 0.27 1na7A1 LEU 301 HD23 -0.94 -0.01 -0.02 -0.04 0.89 -0.12 1na7A1 ASP 302 H -0.40 0.46 -0.35 -0.55 8.40 7.56 1na7A1 ASP 302 HA 0.31 0.02 0.41 -0.75 4.63 4.62 1na7A1 ASP 302 HB2 0.22 0.08 0.17 -0.04 2.71 3.13 1na7A1 ASP 302 HB3 0.05 0.19 0.15 -0.04 2.70 3.05 1na7A1 LYS 303 H -0.20 0.39 -0.30 -0.55 8.42 7.75 1na7A1 LYS 303 HA -0.01 0.12 0.55 -0.75 4.32 4.23 1na7A1 LYS 303 HB2 -0.12 0.09 0.11 -0.04 1.87 1.91 1na7A1 LYS 303 HB3 -0.01 -0.11 0.12 -0.04 1.79 1.75 1na7A1 LYS 303 HG2 0.05 -0.01 -0.01 -0.04 1.46 1.45 1na7A1 LYS 303 HG3 0.03 0.13 0.01 -0.04 1.46 1.59 1na7A1 LYS 303 HD2 0.19 -0.01 -0.05 -0.04 1.69 1.78 1na7A1 LYS 303 HD3 0.12 -0.05 -0.01 -0.04 1.68 1.70 1na7A1 LYS 303 HE2 0.12 -0.04 -0.03 -0.04 2.99 3.00 1na7A1 LYS 303 HE3 0.08 -0.00 -0.02 -0.04 2.99 3.01 1na7A1 LEU 304 H -0.35 0.34 -0.30 -0.55 8.37 7.51 1na7A1 LEU 304 HA -0.18 0.03 0.75 -0.75 4.35 4.20 1na7A1 LEU 304 HB2 -0.52 0.11 0.19 -0.04 1.64 1.39 1na7A1 LEU 304 HB3 -0.36 -0.01 0.06 -0.04 1.64 1.29 1na7A1 LEU 304 HG -0.98 0.17 -0.04 -0.04 1.64 0.75 1na7A1 LEU 304 HD13 -0.84 -0.03 -0.12 -0.04 0.93 -0.10 1na7A1 LEU 304 HD23 -0.27 -0.01 -0.05 -0.04 0.89 0.53 1na7A1 LEU 305 H -0.23 0.49 -0.01 -0.55 8.37 8.07 1na7A1 LEU 305 HA -0.46 0.09 0.65 -0.75 4.35 3.88 1na7A1 LEU 305 HB2 0.07 0.07 0.18 -0.04 1.64 1.92 1na7A1 LEU 305 HB3 -0.18 -0.05 0.08 -0.04 1.64 1.44 1na7A1 LEU 305 HG -0.51 0.02 0.02 -0.04 1.64 1.13 1na7A1 LEU 305 HD13 -0.27 0.00 -0.06 -0.04 0.93 0.56 1na7A1 LEU 305 HD23 -1.26 -0.01 -0.17 -0.04 0.89 -0.60 1na7A1 ARG 306 H 0.23 0.40 -0.09 -0.55 8.46 8.45 1na7A1 ARG 306 HA 0.08 0.14 0.90 -0.75 4.34 4.70 1na7A1 ARG 306 HB2 0.08 0.06 -0.17 -0.04 1.90 1.82 1na7A1 ARG 306 HB3 0.07 -0.09 -0.04 -0.04 1.80 1.71 1na7A1 ARG 306 HG2 0.07 0.23 -0.54 -0.04 1.67 1.39 1na7A1 ARG 306 HG3 0.04 0.00 -0.64 -0.04 1.67 1.03 1na7A1 ARG 306 HD2 0.04 -0.03 -0.03 -0.04 3.22 3.16 1na7A1 ARG 306 HD3 0.05 0.07 -0.35 -0.04 3.22 2.95 1na7A1 TYR 307 H -0.03 0.17 0.07 -0.55 8.29 7.95 1na7A1 TYR 307 HA -0.40 0.03 0.34 -0.75 4.56 3.79 1na7A1 TYR 307 HB2 -0.16 -0.04 0.10 -0.04 3.06 2.92 1na7A1 TYR 307 HB3 -0.60 -0.00 -0.04 -0.04 2.98 2.30 1na7A1 TYR 307 HD2 -0.16 -0.03 -0.06 -0.04 7.15 6.85 1na7A1 TYR 307 HE2 -0.10 0.06 -0.14 -0.04 6.85 6.64 1na7A1 ASP 308 H -0.02 0.08 -0.14 -0.55 8.40 7.78 1na7A1 ASP 308 HA -0.04 0.06 0.44 -0.75 4.63 4.34 1na7A1 ASP 308 HB2 0.15 0.06 0.09 -0.04 2.71 2.96 1na7A1 ASP 308 HB3 0.06 -0.00 0.10 -0.04 2.70 2.82 1na7A1 HIS 309 H 0.18 0.19 0.22 -0.55 8.41 8.46 1na7A1 HIS 309 HA 0.03 0.20 0.36 -0.75 4.63 4.46 1na7A1 HIS 309 HB2 0.04 -0.12 0.05 -0.04 3.26 3.19 1na7A1 HIS 309 HB3 -0.02 0.03 0.11 -0.04 3.20 3.28 1na7A1 HIS 309 HD2 0.08 -0.10 -0.17 -0.04 6.97 6.73 1na7A1 HIS 309 HE1 -1.28 0.10 -0.04 -0.04 7.75 6.49 1na7A1 GLN 310 H -0.26 0.04 -0.36 -0.55 8.47 7.35 1na7A1 GLN 310 HA -0.01 0.10 0.64 -0.75 4.36 4.33 1na7A1 GLN 310 HB2 -0.07 -0.04 0.04 -0.04 2.15 2.04 1na7A1 GLN 310 HB3 -0.00 0.06 -0.01 -0.04 2.02 2.03 1na7A1 GLN 310 HG2 0.03 0.01 0.08 -0.04 2.40 2.48 1na7A1 GLN 310 HG3 -0.13 -0.07 -0.04 -0.04 2.39 2.11 1na7A1 GLN 310 HE21 0.07 0.06 0.01 -0.04 6.97 7.07 1na7A1 GLN 310 HE22 0.04 -0.01 -0.00 -0.04 7.69 7.67 1na7A1 SER 311 H 0.02 0.25 -0.32 -0.55 8.46 7.86 1na7A1 SER 311 HA 0.04 0.15 0.63 -0.75 4.49 4.55 1na7A1 SER 311 HB2 0.05 0.08 0.00 -0.04 3.95 4.04 1na7A1 SER 311 HB3 0.05 0.01 0.07 -0.04 3.93 4.01 1na7A1 ARG 312 H 0.06 0.06 -0.37 -0.55 8.46 7.66 1na7A1 ARG 312 HA 0.03 0.30 0.56 -0.75 4.34 4.48 1na7A1 ARG 312 HB2 0.09 -0.07 0.08 -0.04 1.90 1.96 1na7A1 ARG 312 HB3 0.05 0.04 0.09 -0.04 1.80 1.95 1na7A1 ARG 312 HG2 0.10 0.13 -0.02 -0.04 1.67 1.84 1na7A1 ARG 312 HG3 0.10 -0.00 -0.03 -0.04 1.67 1.70 1na7A1 ARG 312 HD2 0.16 -0.10 0.11 -0.04 3.22 3.35 1na7A1 ARG 312 HD3 0.22 0.03 0.08 -0.04 3.22 3.51 1na7A1 LEU 313 H -0.01 0.46 0.20 -0.55 8.37 8.48 1na7A1 LEU 313 HA 0.06 -0.00 0.38 -0.75 4.35 4.04 1na7A1 LEU 313 HB2 -0.01 0.01 -0.00 -0.04 1.64 1.59 1na7A1 LEU 313 HB3 0.10 -0.01 -0.06 -0.04 1.64 1.64 1na7A1 LEU 313 HG 0.03 0.08 0.01 -0.04 1.64 1.72 1na7A1 LEU 313 HD13 0.17 -0.01 -0.08 -0.04 0.93 0.97 1na7A1 LEU 313 HD23 0.12 -0.02 -0.07 -0.04 0.89 0.88 1na7A1 THR 314 H 0.07 0.03 0.18 -0.55 8.28 8.01 1na7A1 THR 314 HA 0.10 0.16 0.58 -0.75 4.39 4.48 1na7A1 THR 314 HB 0.07 -0.07 0.13 -0.04 4.32 4.41 1na7A1 THR 314 HG23 0.04 0.06 0.02 -0.04 1.22 1.29 1na7A1 ALA 315 H 0.15 0.16 0.10 -0.55 8.40 8.25 1na7A1 ALA 315 HA 0.06 0.14 0.33 -0.75 4.34 4.12 1na7A1 ALA 315 HB3 -0.01 0.04 0.03 -0.04 1.41 1.43 1na7A1 ARG 316 H 0.08 0.04 -0.13 -0.55 8.46 7.89 1na7A1 ARG 316 HA 0.03 0.18 0.45 -0.75 4.34 4.24 1na7A1 ARG 316 HB2 0.05 -0.09 0.08 -0.04 1.90 1.90 1na7A1 ARG 316 HB3 0.05 0.09 -0.07 -0.04 1.80 1.83 1na7A1 ARG 316 HG2 0.10 -0.06 0.02 -0.04 1.67 1.69 1na7A1 ARG 316 HG3 0.10 0.04 0.01 -0.04 1.67 1.78 1na7A1 ARG 316 HD2 0.02 0.01 0.02 -0.04 3.22 3.23 1na7A1 ARG 316 HD3 0.04 0.05 -0.02 -0.04 3.22 3.25 1na7A1 GLU 317 H 0.07 -0.01 -0.21 -0.55 8.60 7.91 1na7A1 GLU 317 HA 0.09 0.11 0.37 -0.75 4.29 4.10 1na7A1 GLU 317 HB2 0.10 -0.05 0.13 -0.04 2.09 2.22 1na7A1 GLU 317 HB3 0.11 0.08 0.01 -0.04 1.99 2.14 1na7A1 GLU 317 HG2 0.05 0.07 0.03 -0.04 2.34 2.45 1na7A1 GLU 317 HG3 0.05 -0.10 0.06 -0.04 2.34 2.30 1na7A1 ALA 318 H 0.15 0.46 -0.40 -0.55 8.40 8.06 1na7A1 ALA 318 HA 0.42 -0.00 0.34 -0.75 4.34 4.34 1na7A1 ALA 318 HB3 0.32 0.06 0.00 -0.04 1.41 1.76 1na7A1 MET 319 H 0.10 0.29 -0.38 -0.55 8.47 7.94 1na7A1 MET 319 HA 0.10 0.07 0.52 -0.75 4.52 4.45 1na7A1 MET 319 HB2 0.02 0.08 0.12 -0.04 2.15 2.33 1na7A1 MET 319 HB3 0.06 -0.01 0.08 -0.04 2.03 2.11 1na7A1 MET 319 HG2 -0.61 0.00 -0.00 -0.04 2.63 1.98 1na7A1 MET 319 HG3 -0.16 0.07 0.00 -0.04 2.56 2.43 1na7A1 MET 319 HE3 -0.53 0.01 -0.03 -0.04 2.10 1.51 1na7A1 GLU 320 H 0.17 0.36 -0.48 -0.55 8.60 8.11 1na7A1 GLU 320 HA 0.17 0.12 0.62 -0.75 4.29 4.44 1na7A1 GLU 320 HB2 0.12 0.12 0.09 -0.04 2.09 2.38 1na7A1 GLU 320 HB3 0.11 -0.08 0.10 -0.04 1.99 2.08 1na7A1 GLU 320 HG2 0.10 0.19 -0.05 -0.04 2.34 2.54 1na7A1 GLU 320 HG3 0.08 -0.11 -0.04 -0.04 2.34 2.23 1na7A1 HIS 321 H 0.26 0.27 -0.35 -0.55 8.41 8.05 1na7A1 HIS 321 HA -0.06 0.10 0.49 -0.75 4.63 4.41 1na7A1 HIS 321 HB2 0.08 0.09 0.13 -0.04 3.26 3.51 1na7A1 HIS 321 HB3 -0.31 0.01 0.08 -0.04 3.20 2.94 1na7A1 HIS 321 HD2 0.12 0.04 -0.02 -0.04 6.97 7.06 1na7A1 HIS 321 HE1 -0.07 0.03 0.12 -0.04 7.75 7.78 1na7A1 PRO 322 HA -2.63 0.12 0.40 -0.51 4.44 1.83 1na7A1 PRO 322 HB2 -0.37 -0.06 0.05 -0.04 2.28 1.87 1na7A1 PRO 322 HB3 -0.43 0.04 0.09 -0.04 2.02 1.68 1na7A1 PRO 322 HG2 -0.37 0.02 0.09 -0.04 2.03 1.74 1na7A1 PRO 322 HG3 -0.37 0.11 0.11 -0.04 2.03 1.84 1na7A1 PRO 322 HD2 -1.69 0.05 0.21 -0.04 3.68 2.21 1na7A1 PRO 322 HD3 -0.52 0.25 0.25 -0.04 3.65 3.59 1na7A1 TYR 323 H 0.27 0.12 -0.36 -0.55 8.29 7.77 1na7A1 TYR 323 HA -0.31 -0.05 0.27 -0.75 4.56 3.71 1na7A1 TYR 323 HB2 -0.41 0.04 -0.02 -0.04 3.06 2.62 1na7A1 TYR 323 HB3 -1.20 0.10 -0.07 -0.04 2.98 1.77 1na7A1 TYR 323 HD2 -1.31 -0.05 -0.20 -0.04 7.15 5.56 1na7A1 TYR 323 HE2 -0.25 0.01 -0.02 -0.04 6.85 6.54 1na7A1 PHE 324 H -0.30 0.60 -0.47 -0.55 8.34 7.62 1na7A1 PHE 324 HA -0.33 0.08 0.86 -0.75 4.62 4.47 1na7A1 PHE 324 HB2 -0.09 0.21 0.00 -0.04 3.15 3.23 1na7A1 PHE 324 HB3 -0.31 -0.00 0.14 -0.04 3.06 2.85 1na7A1 PHE 324 HD2 -0.14 0.06 0.00 -0.04 7.28 7.15 1na7A1 PHE 324 HE2 -0.20 0.07 -0.02 -0.04 7.38 7.19 1na7A1 PHE 324 HZ -0.06 -0.06 -0.16 -0.04 7.32 7.01 1na7A1 TYR 325 H -0.13 0.74 -0.10 -0.55 8.29 8.25 1na7A1 TYR 325 HA -0.04 0.10 0.36 -0.75 4.56 4.22 1na7A1 TYR 325 HB2 -0.06 0.05 0.13 -0.04 3.06 3.14 1na7A1 TYR 325 HB3 -0.04 -0.05 0.01 -0.04 2.98 2.87 1na7A1 TYR 325 HD2 -0.02 0.01 -0.05 -0.04 7.15 7.05 1na7A1 TYR 325 HE2 -0.02 0.03 -0.06 -0.04 6.85 6.76 1na7A1 THR 326 H -0.03 0.09 -0.38 -0.55 8.28 7.42 1na7A1 THR 326 HA 0.05 0.08 0.41 -0.75 4.39 4.17 1na7A1 THR 326 HB -0.06 0.02 -0.07 -0.04 4.32 4.17 1na7A1 THR 326 HG23 0.11 -0.02 -0.00 -0.04 1.22 1.27 1na7A1 VAL 327 H -0.05 0.21 -0.33 -0.55 8.24 7.52 1na7A1 VAL 327 HA 0.01 -0.11 0.47 -0.75 4.13 3.74 1na7A1 VAL 327 HB -0.22 0.23 0.15 -0.04 2.12 2.24 1na7A1 VAL 327 HG13 -0.12 0.05 -0.08 -0.04 0.97 0.77 1na7A1 VAL 327 HG23 -0.15 -0.02 -0.09 -0.04 0.95 0.64 1na7A1 VAL 328 H 0.21 -0.02 0.15 -0.55 8.24 8.03 1na7A1 VAL 328 HA 0.02 0.17 0.37 -0.75 4.13 3.94 1na7A1 VAL 328 HB 0.07 -0.03 0.07 -0.04 2.12 2.18 1na7A1 VAL 328 HG13 0.00 -0.29 0.13 -0.04 0.97 0.78 1na7A1 VAL 328 HG23 0.05 0.01 0.08 -0.04 0.95 1.05 1na7A1 LYS 329 H 0.02 0.15 0.05 -0.55 8.42 8.08 1na7A1 LYS 329 HA 0.03 0.24 0.55 -0.75 4.32 4.39 1na7A1 LYS 329 HB2 -0.01 0.08 -0.21 -0.04 1.87 1.69 1na7A1 LYS 329 HB3 0.01 -0.03 0.04 -0.04 1.79 1.77 1na7A1 LYS 329 HG2 0.01 -0.01 -0.00 -0.04 1.46 1.41 1na7A1 LYS 329 HG3 0.02 -0.04 0.04 -0.04 1.46 1.44 1na7A1 LYS 329 HD2 0.04 -0.04 0.01 -0.04 1.69 1.66 1na7A1 LYS 329 HD3 0.03 -0.00 0.08 -0.04 1.68 1.75 1na7A1 LYS 329 HE2 -0.09 0.00 -0.01 -0.04 2.99 2.85 1na7A1 LYS 329 HE3 -0.05 0.19 -0.19 -0.04 2.99 2.90