============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 6 0.840 9.850 -18.105 -41.392 -99.200 -91.000 TYR 7 0.840 11.121 -16.795 -33.188 -99.200 -91.000 HIS 11 0.900 3.263 -7.503 -44.836 -99.200 -91.000 PHE 14 1.000 -2.419 -0.494 -47.908 -99.200 -91.000 TRP 16 1.040 4.475 -4.070 -43.923 -99.200 -91.000 TRP6 16 1.020 6.715 -4.219 -43.196 -99.200 -91.000 PHE 19 1.000 8.486 3.348 -36.288 -99.200 -91.000 PHE 45 1.000 12.228 -2.226 -41.030 -99.200 -91.000 PHE 54 1.000 16.508 5.827 -23.592 -99.200 -91.000 HIS 58 0.900 15.733 11.042 -22.572 -99.200 -91.000 TRP 59 1.040 21.781 12.867 -25.246 -99.200 -91.000 TRP6 59 1.020 21.055 10.872 -24.233 -99.200 -91.000 HIS 62 0.900 25.108 16.864 -28.385 -99.200 -91.000 PHE 65 1.000 24.825 10.893 -26.711 -99.200 -91.000 TYR 68 0.840 16.095 8.678 -39.178 -99.200 -91.000 TYR 70 0.840 14.492 6.243 -35.237 -99.200 -91.000 PHE 71 1.000 6.347 10.818 -40.823 -99.200 -91.000 PHE 79 1.000 8.172 0.042 -32.671 -99.200 -91.000 TYR 80 0.840 16.996 -5.863 -35.792 -99.200 -91.000 PHE 85 1.000 21.538 5.224 -23.562 -99.200 -91.000 TYR 91 0.840 24.531 9.628 -20.898 -99.200 -91.000 TRP 94 1.040 23.706 15.184 -12.394 -99.200 -91.000 TRP6 94 1.020 24.781 16.376 -10.666 -99.200 -91.000 TRP 101 1.040 21.103 7.576 -17.944 -99.200 -91.000 TRP6 101 1.020 19.680 8.945 -19.247 -99.200 -91.000 PHE 108 1.000 11.454 5.798 -26.071 -99.200 -91.000 TYR 109 0.840 13.324 1.397 -26.984 -99.200 -91.000 TYR 113 0.840 8.303 -1.614 -27.689 -99.200 -91.000 PHE 166 1.000 5.403 21.728 -21.978 -99.200 -91.000 HIS 180 0.900 2.394 15.952 -29.114 -99.200 -91.000 PHE 184 1.000 8.254 15.736 -14.239 -99.200 -91.000 TYR 186 0.840 12.174 13.216 -10.743 -99.200 -91.000 HIS 189 0.900 18.292 9.415 -4.505 -99.200 -91.000 PHE 192 1.000 22.141 20.334 -8.021 -99.200 -91.000 PHE 201 1.000 15.540 19.315 -9.893 -99.200 -91.000 TYR 205 0.840 6.953 18.313 -18.311 -99.200 -91.000 PHE 210 1.000 -0.102 15.996 -17.845 -99.200 -91.000 TYR 211 0.840 1.122 18.303 -10.243 -99.200 -91.000 TYR 212 0.840 4.250 12.296 -13.631 -99.200 -91.000 TYR 214 0.840 11.621 14.897 -7.327 -99.200 -91.000 TYR 215 0.840 9.041 20.908 -2.876 -99.200 -91.000 HIS 223 0.900 21.209 16.001 -5.781 -99.200 -91.000 TYR 225 0.840 18.564 13.626 -16.622 -99.200 -91.000 TYR 229 0.840 11.107 8.040 -20.758 -99.200 -91.000 PHE 231 1.000 -2.283 9.675 -23.966 -99.200 -91.000 TYR 237 0.840 0.173 20.062 -21.794 -99.200 -91.000 PHE 245 1.000 17.744 23.280 -8.946 -99.200 -91.000 TYR 248 0.840 12.339 24.655 -22.006 -99.200 -91.000 TYR 253 0.840 9.626 9.071 -30.574 -99.200 -91.000 TRP 271 1.040 26.279 -3.223 -28.783 -99.200 -91.000 TRP6 271 1.020 26.620 -2.048 -30.805 -99.200 -91.000 TYR 275 0.840 32.203 -4.718 -28.913 -99.200 -91.000 TYR 289 0.840 3.049 -3.284 -23.532 -99.200 -91.000 PHE 292 1.000 11.993 -9.785 -26.884 -99.200 -91.000 TYR 293 0.840 8.004 -11.922 -33.468 -99.200 -91.000 TYR 299 0.840 24.070 -9.011 -34.876 -99.200 -91.000 HIS 309 0.900 26.441 -3.174 -38.582 -99.200 -91.000 TYR 339 0.840 -8.113 -28.361 -38.254 -99.200 -91.000 TYR 345 0.840 1.367 -20.803 -25.688 -99.200 -91.000 TYR 349 0.840 -1.432 -8.206 -35.582 -99.200 -91.000 PHE 355 1.000 -1.784 -27.881 -30.155 -99.200 -91.000 TYR 356 0.840 -1.562 -31.384 -34.067 -99.200 -91.000 PHE 359 1.000 -10.842 -27.741 -33.515 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i26A1 THR 16 HA 0.02 -0.08 0.20 -0.75 4.39 3.78 3i26A1 THR 16 HB -0.00 -0.02 0.08 -0.04 4.32 4.33 3i26A1 THR 16 HG23 -0.01 -0.02 0.04 -0.04 1.22 1.19 3i26A1 PRO 17 HA 0.06 0.13 0.43 -0.51 4.44 4.55 3i26A1 PRO 17 HB2 -0.04 -0.00 -0.06 -0.04 2.28 2.13 3i26A1 PRO 17 HB3 -0.01 -0.02 0.00 -0.04 2.02 1.96 3i26A1 PRO 17 HG2 -0.04 0.00 0.04 -0.04 2.03 1.99 3i26A1 PRO 17 HG3 0.03 -0.00 0.05 -0.04 2.03 2.07 3i26A1 PRO 17 HD2 -0.00 0.09 0.14 -0.04 3.68 3.87 3i26A1 PRO 17 HD3 0.03 0.07 0.19 -0.04 3.65 3.90 3i26A1 VAL 18 H 0.03 0.47 0.40 -0.55 8.24 8.59 3i26A1 VAL 18 HA 0.00 0.18 0.92 -0.75 4.13 4.48 3i26A1 VAL 18 HB 0.01 -0.01 0.04 -0.04 2.12 2.12 3i26A1 VAL 18 HG13 -0.01 0.06 -0.21 -0.04 0.97 0.77 3i26A1 VAL 18 HG23 0.01 0.02 -0.13 -0.04 0.95 0.81 3i26A1 THR 19 H 0.02 0.31 0.16 -0.55 8.28 8.22 3i26A1 THR 19 HA 0.04 0.01 0.86 -0.75 4.39 4.55 3i26A1 THR 19 HB 0.03 0.01 0.05 -0.04 4.32 4.37 3i26A1 THR 19 HG23 0.03 0.06 -0.12 -0.04 1.22 1.14 3i26A1 PRO 20 HA 0.05 0.29 0.17 -0.51 4.44 4.43 3i26A1 PRO 20 HB2 0.06 0.09 -0.25 -0.04 2.28 2.14 3i26A1 PRO 20 HB3 0.05 0.05 -0.57 -0.04 2.02 1.51 3i26A1 PRO 20 HG2 0.05 0.03 -0.16 -0.04 2.03 1.90 3i26A1 PRO 20 HG3 0.04 0.06 -0.21 -0.04 2.03 1.88 3i26A1 PRO 20 HD2 0.05 0.07 0.07 -0.04 3.68 3.83 3i26A1 PRO 20 HD3 0.06 -0.00 0.11 -0.04 3.65 3.78 3i26A1 TYR 21 H 0.12 0.58 0.30 -0.55 8.29 8.74 3i26A1 TYR 21 HA 0.00 0.04 0.80 -0.75 4.56 4.65 3i26A1 TYR 21 HB2 -0.04 0.03 0.13 -0.04 3.06 3.14 3i26A1 TYR 21 HB3 -0.08 -0.02 0.20 -0.04 2.98 3.04 3i26A1 TYR 21 HD2 -0.08 -0.01 -0.15 -0.04 7.15 6.87 3i26A1 TYR 21 HE2 -0.07 0.01 -0.02 -0.04 6.85 6.74 3i26A1 TYR 22 H -0.41 0.07 0.14 -0.55 8.29 7.55 3i26A1 TYR 22 HA -0.13 0.20 0.35 -0.75 4.56 4.23 3i26A1 TYR 22 HB2 -0.16 0.05 0.11 -0.04 3.06 3.02 3i26A1 TYR 22 HB3 -0.28 -0.10 0.18 -0.04 2.98 2.74 3i26A1 TYR 22 HD2 -0.07 0.05 -0.08 -0.04 7.15 7.02 3i26A1 TYR 22 HE2 0.01 0.08 0.02 -0.04 6.85 6.92 3i26A1 GLY 23 H -0.73 0.24 0.24 -0.55 8.43 7.63 3i26A1 GLY 23 HA2 -0.93 -0.11 0.37 -0.51 4.01 2.83 3i26A1 GLY 23 HA3 -0.40 0.29 0.67 -0.51 4.01 4.06 3i26A1 PRO 24 HA -0.46 0.11 0.49 -0.51 4.44 4.07 3i26A1 PRO 24 HB2 -0.11 0.08 -0.06 -0.04 2.28 2.15 3i26A1 PRO 24 HB3 -0.07 -0.02 0.01 -0.04 2.02 1.90 3i26A1 PRO 24 HG2 -0.16 0.04 -0.11 -0.04 2.03 1.76 3i26A1 PRO 24 HG3 -0.11 -0.03 -0.07 -0.04 2.03 1.78 3i26A1 PRO 24 HD2 -0.33 0.23 -0.04 -0.04 3.68 3.49 3i26A1 PRO 24 HD3 -0.55 0.03 0.07 -0.04 3.65 3.16 3i26A1 GLY 25 H -0.11 0.25 0.11 -0.55 8.43 8.13 3i26A1 GLY 25 HA2 -0.24 0.12 0.12 -0.51 4.01 3.50 3i26A1 GLY 25 HA3 -0.19 0.08 0.20 -0.51 4.01 3.59 3i26A1 HIS 26 H -0.43 0.40 0.08 -0.55 8.41 7.92 3i26A1 HIS 26 HA -0.15 0.07 0.61 -0.75 4.63 4.42 3i26A1 HIS 26 HB2 -0.33 -0.03 -0.01 -0.04 3.26 2.85 3i26A1 HIS 26 HB3 -1.05 0.01 -0.21 -0.04 3.20 1.91 3i26A1 HIS 26 HD2 -0.80 -0.05 -0.00 -0.04 6.97 6.08 3i26A1 HIS 26 HE1 0.12 -0.10 -0.19 -0.04 7.75 7.53 3i26A1 ILE 27 H 0.09 0.06 0.05 -0.55 8.25 7.90 3i26A1 ILE 27 HA -0.11 0.38 0.67 -0.75 4.18 4.37 3i26A1 ILE 27 HB 0.14 -0.07 0.02 -0.04 1.89 1.94 3i26A1 ILE 27 HG12 -0.08 -0.04 -0.51 -0.04 1.49 0.82 3i26A1 ILE 27 HG13 -0.06 -0.06 -0.32 -0.04 1.21 0.72 3i26A1 ILE 27 HG23 0.04 0.01 0.01 -0.04 0.93 0.95 3i26A1 ILE 27 HD13 0.04 0.02 -0.18 -0.04 0.88 0.71 3i26A1 THR 28 H 0.21 0.04 0.03 -0.55 8.28 8.01 3i26A1 THR 28 HA 0.22 0.28 0.95 -0.75 4.39 5.08 3i26A1 THR 28 HB 0.33 -0.06 0.15 -0.04 4.32 4.69 3i26A1 THR 28 HG23 0.15 0.02 -0.10 -0.04 1.22 1.25 3i26A1 PHE 29 H 0.57 0.14 0.14 -0.55 8.34 8.63 3i26A1 PHE 29 HA 0.26 0.16 0.43 -0.75 4.62 4.72 3i26A1 PHE 29 HB2 0.08 0.04 0.13 -0.04 3.15 3.36 3i26A1 PHE 29 HB3 0.10 -0.01 0.14 -0.04 3.06 3.25 3i26A1 PHE 29 HD2 0.04 -0.04 0.05 -0.04 7.28 7.29 3i26A1 PHE 29 HE2 0.02 -0.00 -0.01 -0.04 7.38 7.35 3i26A1 PHE 29 HZ 0.01 -0.01 -0.02 -0.04 7.32 7.27 3i26A1 ASP 30 H 0.05 -0.02 -0.47 -0.55 8.40 7.42 3i26A1 ASP 30 HA -0.63 0.20 0.44 -0.75 4.63 3.88 3i26A1 ASP 30 HB2 -0.53 -0.03 0.07 -0.04 2.71 2.18 3i26A1 ASP 30 HB3 -0.08 -0.03 0.22 -0.04 2.70 2.77 3i26A1 TRP 31 H -0.26 0.51 0.25 -0.55 7.97 7.93 3i26A1 TRP 31 HA -0.13 0.22 0.85 -0.75 4.62 4.81 3i26A1 TRP 31 HB2 -0.07 0.03 -0.00 -0.04 3.23 3.14 3i26A1 TRP 31 HB3 -0.04 -0.11 -0.20 -0.04 3.23 2.84 3i26A1 TRP 31 HD1 -0.33 0.05 -0.13 -0.04 7.22 6.77 3i26A1 TRP 31 HE1 -0.68 -0.02 -0.04 -0.04 10.20 9.42 3i26A1 TRP 31 HE3 -0.20 0.09 -0.23 -0.04 7.59 7.21 3i26A1 TRP 31 HZ2 -0.13 -0.00 -0.06 -0.04 7.44 7.21 3i26A1 TRP 31 HZ3 -0.27 -0.06 -0.27 -0.04 7.13 6.48 3i26A1 TRP 31 HH2 0.11 -0.06 -0.12 -0.04 7.19 7.08 3i26A1 CYS 32 H 0.08 0.50 0.34 -0.55 8.50 8.87 3i26A1 CYS 32 HA -0.96 0.23 0.73 -0.75 4.58 3.83 3i26A1 CYS 32 HB2 -0.63 0.00 0.14 -0.04 2.97 2.44 3i26A1 CYS 32 HB3 -0.45 0.26 -0.17 -0.04 2.97 2.57 3i26A1 GLY 33 H -0.89 0.71 0.43 -0.55 8.43 8.13 3i26A1 GLY 33 HA2 -0.55 0.27 1.06 -0.51 4.01 4.27 3i26A1 GLY 33 HA3 -2.06 -0.04 0.27 -0.51 4.01 1.67 3i26A1 PHE 34 H -0.01 0.60 0.38 -0.55 8.34 8.76 3i26A1 PHE 34 HA 0.22 0.30 0.89 -0.75 4.62 5.27 3i26A1 PHE 34 HB2 -0.13 -0.09 0.11 -0.04 3.15 3.01 3i26A1 PHE 34 HB3 0.13 -0.06 0.01 -0.04 3.06 3.10 3i26A1 PHE 34 HD2 -0.38 -0.02 -0.14 -0.04 7.28 6.69 3i26A1 PHE 34 HE2 -0.08 0.04 -0.20 -0.04 7.38 7.10 3i26A1 PHE 34 HZ -0.03 0.15 -0.11 -0.04 7.32 7.29 3i26A1 GLY 35 H 0.60 0.66 0.25 -0.55 8.43 9.40 3i26A1 GLY 35 HA2 0.35 0.16 0.58 -0.51 4.01 4.60 3i26A1 GLY 35 HA3 0.35 0.02 0.17 -0.51 4.01 4.05 3i26A1 ASP 36 H 0.08 0.17 0.09 -0.55 8.40 8.19 3i26A1 ASP 36 HA 0.09 0.32 0.65 -0.75 4.63 4.93 3i26A1 ASP 36 HB2 0.02 -0.05 0.26 -0.04 2.71 2.91 3i26A1 ASP 36 HB3 0.10 0.09 -0.01 -0.04 2.70 2.83 3i26A1 SER 37 H 0.03 0.13 0.17 -0.55 8.46 8.24 3i26A1 SER 37 HA 0.02 0.04 0.32 -0.75 4.49 4.12 3i26A1 SER 37 HB2 0.15 0.11 0.06 -0.04 3.95 4.23 3i26A1 SER 37 HB3 0.12 -0.11 0.23 -0.04 3.93 4.13 3i26A1 ARG 38 H 0.01 0.02 -0.34 -0.55 8.46 7.59 3i26A1 ARG 38 HA 0.17 0.39 0.52 -0.75 4.34 4.66 3i26A1 ARG 38 HB2 -0.02 0.02 0.03 -0.04 1.90 1.89 3i26A1 ARG 38 HB3 0.26 -0.05 0.15 -0.04 1.80 2.13 3i26A1 ARG 38 HG2 0.11 0.00 0.09 -0.04 1.67 1.83 3i26A1 ARG 38 HG3 -0.02 -0.10 0.03 -0.04 1.67 1.54 3i26A1 ARG 38 HD2 -0.30 -0.09 0.03 -0.04 3.22 2.83 3i26A1 ARG 38 HD3 0.09 0.01 0.03 -0.04 3.22 3.31 3i26A1 SER 39 H 0.01 0.41 -0.44 -0.55 8.46 7.90 3i26A1 SER 39 HA -0.12 0.12 0.38 -0.75 4.49 4.11 3i26A1 SER 39 HB2 -0.68 0.08 0.05 -0.04 3.95 3.37 3i26A1 SER 39 HB3 -0.45 0.05 -0.06 -0.04 3.93 3.43 3i26A1 ASP 40 H -0.01 0.37 -0.20 -0.55 8.40 8.01 3i26A1 ASP 40 HA -0.03 0.24 0.74 -0.75 4.63 4.83 3i26A1 ASP 40 HB2 -0.04 0.04 -0.38 -0.04 2.71 2.28 3i26A1 ASP 40 HB3 -0.02 0.01 0.13 -0.04 2.70 2.78 3i26A1 CYS 41 H -0.01 0.32 0.05 -0.55 8.50 8.30 3i26A1 CYS 41 HA -0.01 0.08 0.43 -0.75 4.58 4.32 3i26A1 CYS 41 HB2 -0.00 0.04 0.06 -0.04 2.97 3.03 3i26A1 CYS 41 HB3 -0.00 0.05 0.05 -0.04 2.97 3.03 3i26A1 THR 42 H -0.02 0.00 -0.38 -0.55 8.28 7.33 3i26A1 THR 42 HA -0.01 0.19 0.57 -0.75 4.39 4.39 3i26A1 THR 42 HB -0.02 0.03 0.06 -0.04 4.32 4.35 3i26A1 THR 42 HG23 -0.01 0.01 -0.02 -0.04 1.22 1.16 3i26A1 ASN 43 H -0.03 0.22 -0.28 -0.55 8.53 7.90 3i26A1 ASN 43 HA -0.04 0.06 0.43 -0.75 4.76 4.46 3i26A1 ASN 43 HB2 -0.04 -0.01 0.15 -0.04 2.88 2.95 3i26A1 ASN 43 HB3 -0.03 0.03 0.08 -0.04 2.79 2.82 3i26A1 ASN 43 HD21 -0.17 -0.01 -0.00 -0.04 7.03 6.80 3i26A1 ASN 43 HD22 -0.06 -0.06 0.07 -0.04 7.74 7.65 3i26A1 PRO 44 HA -0.02 0.15 0.36 -0.51 4.44 4.42 3i26A1 PRO 44 HB2 -0.03 -0.02 0.02 -0.04 2.28 2.21 3i26A1 PRO 44 HB3 -0.02 0.05 0.11 -0.04 2.02 2.12 3i26A1 PRO 44 HG2 -0.03 0.01 0.09 -0.04 2.03 2.06 3i26A1 PRO 44 HG3 -0.02 0.09 0.13 -0.04 2.03 2.19 3i26A1 PRO 44 HD2 -0.04 -0.01 0.18 -0.04 3.68 3.77 3i26A1 PRO 44 HD3 -0.03 0.16 0.25 -0.04 3.65 3.99 3i26A1 GLN 45 H -0.05 -0.02 -0.41 -0.55 8.47 7.44 3i26A1 GLN 45 HA -0.02 0.25 0.66 -0.75 4.36 4.49 3i26A1 GLN 45 HB2 -0.08 -0.06 -0.03 -0.04 2.15 1.94 3i26A1 GLN 45 HB3 -0.03 -0.06 0.08 -0.04 2.02 1.97 3i26A1 GLN 45 HG2 -0.05 -0.04 -0.08 -0.04 2.40 2.19 3i26A1 GLN 45 HG3 -0.05 -0.00 -0.04 -0.04 2.39 2.26 3i26A1 GLN 45 HE21 -0.01 0.04 -0.08 -0.04 6.97 6.88 3i26A1 GLN 45 HE22 -0.02 -0.05 -0.13 -0.04 7.69 7.44 3i26A1 SER 46 H -0.02 0.73 -0.28 -0.55 8.46 8.34 3i26A1 SER 46 HA -0.00 -0.25 0.39 -0.75 4.49 3.88 3i26A1 SER 46 HB2 -0.01 -0.01 0.06 -0.04 3.95 3.94 3i26A1 SER 46 HB3 -0.01 0.23 0.03 -0.04 3.93 4.14 3i26A1 PRO 47 HA 0.01 -0.02 0.34 -0.51 4.44 4.26 3i26A1 PRO 47 HB2 0.01 0.04 0.10 -0.04 2.28 2.40 3i26A1 PRO 47 HB3 0.01 0.01 0.10 -0.04 2.02 2.10 3i26A1 PRO 47 HG2 0.01 0.05 -0.00 -0.04 2.03 2.05 3i26A1 PRO 47 HG3 0.01 0.03 0.07 -0.04 2.03 2.09 3i26A1 PRO 47 HD2 0.01 0.10 0.21 -0.04 3.68 3.95 3i26A1 PRO 47 HD3 0.00 0.16 0.29 -0.04 3.65 4.06 3i26A1 MET 48 H 0.01 0.42 0.09 -0.55 8.47 8.44 3i26A1 MET 48 HA 0.03 0.17 0.48 -0.75 4.52 4.44 3i26A1 MET 48 HB2 0.02 0.12 0.05 -0.04 2.15 2.29 3i26A1 MET 48 HB3 0.03 -0.07 -0.13 -0.04 2.03 1.82 3i26A1 MET 48 HG2 0.02 0.00 -0.06 -0.04 2.63 2.55 3i26A1 MET 48 HG3 0.02 -0.00 -0.02 -0.04 2.56 2.51 3i26A1 MET 48 HE3 0.00 -0.01 -0.02 -0.04 2.10 2.03 3i26A1 SER 49 H 0.02 0.18 -0.40 -0.55 8.46 7.71 3i26A1 SER 49 HA 0.12 -0.01 0.50 -0.75 4.49 4.34 3i26A1 SER 49 HB2 -0.08 -0.03 -0.02 -0.04 3.95 3.77 3i26A1 SER 49 HB3 -0.10 -0.04 -0.10 -0.04 3.93 3.66 3i26A1 LEU 50 H 0.05 0.40 -0.46 -0.55 8.37 7.82 3i26A1 LEU 50 HA 0.08 0.06 0.45 -0.75 4.35 4.19 3i26A1 LEU 50 HB2 0.03 0.18 0.07 -0.04 1.64 1.87 3i26A1 LEU 50 HB3 0.01 0.04 -0.01 -0.04 1.64 1.65 3i26A1 LEU 50 HG 0.01 -0.17 -0.11 -0.04 1.64 1.34 3i26A1 LEU 50 HD13 0.00 0.03 -0.05 -0.04 0.93 0.87 3i26A1 LEU 50 HD23 -0.01 0.00 -0.39 -0.04 0.89 0.45 3i26A1 ASP 51 H 0.10 0.69 0.36 -0.55 8.40 9.00 3i26A1 ASP 51 HA 0.05 0.16 0.84 -0.75 4.63 4.92 3i26A1 ASP 51 HB2 0.28 0.07 0.07 -0.04 2.71 3.08 3i26A1 ASP 51 HB3 0.01 -0.01 0.01 -0.04 2.70 2.68 3i26A1 ILE 52 H -0.02 0.07 0.09 -0.55 8.25 7.84 3i26A1 ILE 52 HA -0.04 0.25 0.78 -0.75 4.18 4.42 3i26A1 ILE 52 HB -0.04 0.12 -0.02 -0.04 1.89 1.90 3i26A1 ILE 52 HG12 -0.19 -0.05 0.07 -0.04 1.49 1.28 3i26A1 ILE 52 HG13 -0.08 -0.05 -0.36 -0.04 1.21 0.68 3i26A1 ILE 52 HG23 -0.25 -0.01 -0.13 -0.04 0.93 0.50 3i26A1 ILE 52 HD13 -0.38 0.01 -0.24 -0.04 0.88 0.22 3i26A1 PRO 53 HA 0.01 0.06 0.55 -0.51 4.44 4.55 3i26A1 PRO 53 HB2 0.06 -0.05 -0.00 -0.04 2.28 2.25 3i26A1 PRO 53 HB3 0.03 0.04 0.04 -0.04 2.02 2.08 3i26A1 PRO 53 HG2 0.03 0.14 -0.03 -0.04 2.03 2.13 3i26A1 PRO 53 HG3 0.01 0.08 -0.04 -0.04 2.03 2.03 3i26A1 PRO 53 HD2 0.05 0.12 0.09 -0.04 3.68 3.90 3i26A1 PRO 53 HD3 -0.00 0.19 -0.02 -0.04 3.65 3.78 3i26A1 GLN 54 H 0.01 0.20 0.16 -0.55 8.47 8.30 3i26A1 GLN 54 HA 0.01 0.05 0.31 -0.75 4.36 3.97 3i26A1 GLN 54 HB2 0.01 0.04 0.14 -0.04 2.15 2.30 3i26A1 GLN 54 HB3 0.01 -0.01 0.14 -0.04 2.02 2.12 3i26A1 GLN 54 HG2 0.01 0.02 -0.21 -0.04 2.40 2.19 3i26A1 GLN 54 HG3 0.01 -0.02 0.02 -0.04 2.39 2.36 3i26A1 GLN 54 HE21 0.00 0.04 -0.04 -0.04 6.97 6.94 3i26A1 GLN 54 HE22 0.00 0.01 -0.04 -0.04 7.69 7.62 3i26A1 GLN 55 H 0.03 0.07 -0.33 -0.55 8.47 7.70 3i26A1 GLN 55 HA 0.03 0.09 0.34 -0.75 4.36 4.06 3i26A1 GLN 55 HB2 0.04 0.05 0.08 -0.04 2.15 2.28 3i26A1 GLN 55 HB3 0.03 -0.04 0.04 -0.04 2.02 2.01 3i26A1 GLN 55 HG2 0.07 0.05 -0.29 -0.04 2.40 2.19 3i26A1 GLN 55 HG3 0.06 0.06 -0.11 -0.04 2.39 2.36 3i26A1 GLN 55 HE21 0.02 -0.00 -0.02 -0.04 6.97 6.93 3i26A1 GLN 55 HE22 0.04 0.06 -0.04 -0.04 7.69 7.71 3i26A1 LEU 56 H 0.07 0.53 -0.53 -0.55 8.37 7.89 3i26A1 LEU 56 HA 0.12 0.20 0.83 -0.75 4.35 4.75 3i26A1 LEU 56 HB2 0.17 0.10 -0.01 -0.04 1.64 1.86 3i26A1 LEU 56 HB3 0.41 -0.03 0.04 -0.04 1.64 2.02 3i26A1 LEU 56 HG 0.15 -0.12 -0.15 -0.04 1.64 1.48 3i26A1 LEU 56 HD13 0.29 0.02 -0.13 -0.04 0.93 1.07 3i26A1 LEU 56 HD23 0.28 0.04 -0.14 -0.04 0.89 1.04 3i26A1 CYS 57 H 0.04 0.41 -0.19 -0.55 8.50 8.21 3i26A1 CYS 57 HA 0.05 0.03 0.39 -0.75 4.58 4.29 3i26A1 CYS 57 HB2 0.01 0.19 0.14 -0.04 2.97 3.27 3i26A1 CYS 57 HB3 0.01 -0.08 -0.01 -0.04 2.97 2.85 3i26A1 PRO 58 HA -0.03 0.09 0.45 -0.51 4.44 4.44 3i26A1 PRO 58 HB2 -0.07 0.07 -0.05 -0.04 2.28 2.19 3i26A1 PRO 58 HB3 -0.04 -0.02 0.10 -0.04 2.02 2.02 3i26A1 PRO 58 HG2 -0.01 0.06 0.01 -0.04 2.03 2.06 3i26A1 PRO 58 HG3 -0.01 -0.03 0.01 -0.04 2.03 1.96 3i26A1 PRO 58 HD2 0.01 0.26 -0.32 -0.04 3.68 3.60 3i26A1 PRO 58 HD3 0.01 0.05 -0.04 -0.04 3.65 3.64 3i26A1 LYS 59 H -0.05 0.49 -0.47 -0.55 8.42 7.84 3i26A1 LYS 59 HA -0.47 0.13 0.73 -0.75 4.32 3.95 3i26A1 LYS 59 HB2 -0.31 0.14 0.06 -0.04 1.87 1.73 3i26A1 LYS 59 HB3 -1.54 -0.07 0.07 -0.04 1.79 0.20 3i26A1 LYS 59 HG2 -0.23 -0.05 -0.02 -0.04 1.46 1.12 3i26A1 LYS 59 HG3 -0.43 -0.01 0.01 -0.04 1.46 0.99 3i26A1 LYS 59 HD2 -0.96 0.10 0.15 -0.04 1.69 0.94 3i26A1 LYS 59 HD3 -0.40 -0.04 -0.03 -0.04 1.68 1.17 3i26A1 LYS 59 HE2 -0.21 -0.07 0.04 -0.04 2.99 2.71 3i26A1 LYS 59 HE3 -0.64 -0.02 0.02 -0.04 2.99 2.31 3i26A1 PHE 60 H 0.07 0.47 -0.18 -0.55 8.34 8.14 3i26A1 PHE 60 HA -0.23 0.13 0.80 -0.75 4.62 4.57 3i26A1 PHE 60 HB2 -0.03 0.15 0.09 -0.04 3.15 3.32 3i26A1 PHE 60 HB3 0.00 -0.13 -0.26 -0.04 3.06 2.64 3i26A1 PHE 60 HD2 0.05 0.05 -0.36 -0.04 7.28 6.99 3i26A1 PHE 60 HE2 0.27 0.03 -0.17 -0.04 7.38 7.47 3i26A1 PHE 60 HZ 0.21 0.01 -0.15 -0.04 7.32 7.35 3i26A1 SER 61 H -0.13 0.62 0.20 -0.55 8.46 8.61 3i26A1 SER 61 HA 0.14 0.14 0.78 -0.75 4.49 4.79 3i26A1 SER 61 HB2 -0.09 0.30 0.13 -0.04 3.95 4.25 3i26A1 SER 61 HB3 -0.01 -0.02 0.23 -0.04 3.93 4.09 3i26A1 SER 62 H 0.07 0.37 0.02 -0.55 8.46 8.38 3i26A1 SER 62 HA 0.20 0.26 0.60 -0.75 4.49 4.80 3i26A1 SER 62 HB2 0.05 0.14 -0.33 -0.04 3.95 3.77 3i26A1 SER 62 HB3 0.05 0.02 -0.53 -0.04 3.93 3.43 3i26A1 LYS 63 H -0.16 0.36 0.03 -0.55 8.42 8.10 3i26A1 LYS 63 HA -0.34 0.12 0.45 -0.75 4.32 3.79 3i26A1 LYS 63 HB2 -1.71 0.07 -0.17 -0.04 1.87 0.01 3i26A1 LYS 63 HB3 -0.45 -0.05 -0.07 -0.04 1.79 1.18 3i26A1 LYS 63 HG2 -0.14 0.04 -0.17 -0.04 1.46 1.15 3i26A1 LYS 63 HG3 -0.14 0.16 -0.20 -0.04 1.46 1.24 3i26A1 LYS 63 HD2 -0.12 -0.03 -0.00 -0.04 1.69 1.49 3i26A1 LYS 63 HD3 -0.34 0.05 0.09 -0.04 1.68 1.44 3i26A1 LYS 63 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.91 3i26A1 LYS 63 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 3i26A1 SER 64 H -0.10 0.19 -0.03 -0.55 8.46 7.98 3i26A1 SER 64 HA 0.01 -0.21 0.49 -0.75 4.49 4.02 3i26A1 SER 64 HB2 -0.03 0.09 0.09 -0.04 3.95 4.06 3i26A1 SER 64 HB3 0.00 0.05 0.05 -0.04 3.93 3.99 3i26A1 SER 65 H 0.05 -0.06 0.27 -0.55 8.46 8.18 3i26A1 SER 65 HA 0.07 -0.04 0.38 -0.75 4.49 4.16 3i26A1 SER 65 HB2 0.03 0.27 0.04 -0.04 3.95 4.24 3i26A1 SER 65 HB3 0.03 0.03 0.15 -0.04 3.93 4.09 3i26A1 SER 66 H 0.07 0.33 -0.34 -0.55 8.46 7.97 3i26A1 SER 66 HA 0.17 0.29 0.88 -0.75 4.49 5.08 3i26A1 SER 66 HB2 0.10 0.03 -0.15 -0.04 3.95 3.89 3i26A1 SER 66 HB3 0.23 -0.07 -0.02 -0.04 3.93 4.03 3i26A1 SER 67 H 0.33 0.34 0.22 -0.55 8.46 8.81 3i26A1 SER 67 HA 0.36 0.14 0.19 -0.75 4.49 4.43 3i26A1 SER 67 HB2 0.36 -0.06 0.16 -0.04 3.95 4.37 3i26A1 SER 67 HB3 0.25 0.00 -0.02 -0.04 3.93 4.13 3i26A1 MET 68 H 0.20 0.15 0.06 -0.55 8.47 8.33 3i26A1 MET 68 HA 0.02 0.18 0.44 -0.75 4.52 4.41 3i26A1 MET 68 HB2 0.20 -0.04 0.02 -0.04 2.15 2.29 3i26A1 MET 68 HB3 0.05 0.12 -0.05 -0.04 2.03 2.11 3i26A1 MET 68 HG2 -1.04 0.06 -0.05 -0.04 2.63 1.56 3i26A1 MET 68 HG3 -0.42 -0.11 -0.04 -0.04 2.56 1.95 3i26A1 MET 68 HE3 -0.47 0.03 -0.13 -0.04 2.10 1.49 3i26A1 PHE 69 H 0.27 -0.00 -0.10 -0.55 8.34 7.95 3i26A1 PHE 69 HA -1.24 0.19 0.47 -0.75 4.62 3.28 3i26A1 PHE 69 HB2 -0.24 0.03 0.07 -0.04 3.15 2.97 3i26A1 PHE 69 HB3 0.09 -0.11 0.06 -0.04 3.06 3.07 3i26A1 PHE 69 HD2 -0.58 -0.01 -0.05 -0.04 7.28 6.59 3i26A1 PHE 69 HE2 -0.41 0.04 -0.17 -0.04 7.38 6.80 3i26A1 PHE 69 HZ 0.31 -0.01 -0.17 -0.04 7.32 7.40 3i26A1 LEU 70 H 0.27 -0.03 -0.20 -0.55 8.37 7.86 3i26A1 LEU 70 HA 0.28 0.08 0.37 -0.75 4.35 4.34 3i26A1 LEU 70 HB2 0.35 -0.02 0.01 -0.04 1.64 1.94 3i26A1 LEU 70 HB3 0.29 -0.13 0.08 -0.04 1.64 1.84 3i26A1 LEU 70 HG 0.42 0.01 -0.05 -0.04 1.64 1.98 3i26A1 LEU 70 HD13 0.05 0.01 0.03 -0.04 0.93 0.99 3i26A1 LEU 70 HD23 0.30 0.01 -0.39 -0.04 0.89 0.77 3i26A1 SER 71 H 0.22 0.36 -0.25 -0.55 8.46 8.25 3i26A1 SER 71 HA 0.19 0.22 0.40 -0.75 4.49 4.54 3i26A1 SER 71 HB2 0.37 0.02 0.15 -0.04 3.95 4.46 3i26A1 SER 71 HB3 0.22 0.14 0.13 -0.04 3.93 4.37 3i26A1 LEU 72 H -0.15 0.24 -0.40 -0.55 8.37 7.51 3i26A1 LEU 72 HA -0.25 0.06 0.44 -0.75 4.35 3.84 3i26A1 LEU 72 HB2 -0.19 -0.00 0.05 -0.04 1.64 1.45 3i26A1 LEU 72 HB3 -0.64 0.06 0.08 -0.04 1.64 1.09 3i26A1 LEU 72 HG -0.49 0.03 -0.33 -0.04 1.64 0.82 3i26A1 LEU 72 HD13 -0.19 0.01 -0.12 -0.04 0.93 0.59 3i26A1 LEU 72 HD23 -0.10 -0.03 -0.14 -0.04 0.89 0.58 3i26A1 HIS 73 H -0.27 0.26 -0.19 -0.55 8.41 7.66 3i26A1 HIS 73 HA -0.47 0.26 0.55 -0.75 4.63 4.22 3i26A1 HIS 73 HB2 -1.05 -0.00 0.07 -0.04 3.26 2.24 3i26A1 HIS 73 HB3 -1.83 -0.09 0.01 -0.04 3.20 1.25 3i26A1 HIS 73 HD2 -1.21 -0.03 -0.10 -0.04 6.97 5.59 3i26A1 HIS 73 HE1 -0.02 -0.06 -0.11 -0.04 7.75 7.51 3i26A1 TRP 74 H 0.11 0.58 -0.04 -0.55 7.97 8.07 3i26A1 TRP 74 HA -0.11 -0.03 1.09 -0.75 4.62 4.81 3i26A1 TRP 74 HB2 -0.05 0.01 -0.05 -0.04 3.23 3.10 3i26A1 TRP 74 HB3 -0.15 0.19 -0.11 -0.04 3.23 3.13 3i26A1 TRP 74 HD1 -0.63 0.03 -0.12 -0.04 7.22 6.46 3i26A1 TRP 74 HE1 -0.64 0.31 -0.57 -0.04 10.20 9.26 3i26A1 TRP 74 HE3 -0.14 0.18 0.07 -0.04 7.59 7.65 3i26A1 TRP 74 HZ2 -1.33 0.02 -0.14 -0.04 7.44 5.95 3i26A1 TRP 74 HZ3 -0.75 -0.07 -0.10 -0.04 7.13 6.17 3i26A1 TRP 74 HH2 -1.56 -0.07 -0.12 -0.04 7.19 5.40 3i26A1 ASN 75 H 0.13 0.06 0.04 -0.55 8.53 8.22 3i26A1 ASN 75 HA 0.06 0.16 0.66 -0.75 4.76 4.88 3i26A1 ASN 75 HB2 -0.04 0.04 0.06 -0.04 2.88 2.90 3i26A1 ASN 75 HB3 -0.04 -0.12 0.17 -0.04 2.79 2.76 3i26A1 ASN 75 HD21 -0.04 0.08 -0.09 -0.04 7.03 6.94 3i26A1 ASN 75 HD22 -0.01 -0.01 -0.01 -0.04 7.74 7.66 3i26A1 ASN 76 H -0.07 0.09 0.10 -0.55 8.53 8.11 3i26A1 ASN 76 HA 0.04 0.25 0.59 -0.75 4.76 4.89 3i26A1 ASN 76 HB2 -0.07 -0.04 0.18 -0.04 2.88 2.91 3i26A1 ASN 76 HB3 -0.04 0.02 -0.02 -0.04 2.79 2.71 3i26A1 ASN 76 HD21 0.03 0.05 0.05 -0.04 7.03 7.12 3i26A1 ASN 76 HD22 -0.00 -0.02 0.05 -0.04 7.74 7.73 3i26A1 HIS 77 H 0.16 0.60 0.37 -0.55 8.41 9.00 3i26A1 HIS 77 HA 0.06 0.14 0.51 -0.75 4.63 4.58 3i26A1 HIS 77 HB2 0.20 -0.08 -0.02 -0.04 3.26 3.32 3i26A1 HIS 77 HB3 0.08 -0.11 0.15 -0.04 3.20 3.29 3i26A1 HIS 77 HD2 -0.06 0.12 -0.27 -0.04 6.97 6.72 3i26A1 HIS 77 HE1 0.02 -0.00 -0.04 -0.04 7.75 7.68 3i26A1 SER 78 H 0.16 0.17 0.14 -0.55 8.46 8.38 3i26A1 SER 78 HA 0.05 0.09 0.30 -0.75 4.49 4.17 3i26A1 SER 78 HB2 0.01 0.04 0.03 -0.04 3.95 3.99 3i26A1 SER 78 HB3 0.04 0.02 0.12 -0.04 3.93 4.07 3i26A1 SER 79 H 0.14 0.03 -0.19 -0.55 8.46 7.89 3i26A1 SER 79 HA -0.13 0.23 0.89 -0.75 4.49 4.73 3i26A1 SER 79 HB2 -0.13 -0.03 0.04 -0.04 3.95 3.78 3i26A1 SER 79 HB3 -0.48 0.02 0.15 -0.04 3.93 3.58 3i26A1 PHE 80 H 0.18 0.42 -0.36 -0.55 8.34 8.03 3i26A1 PHE 80 HA -0.09 0.17 0.90 -0.75 4.62 4.86 3i26A1 PHE 80 HB2 0.08 -0.08 0.05 -0.04 3.15 3.15 3i26A1 PHE 80 HB3 0.00 0.11 -0.17 -0.04 3.06 2.96 3i26A1 PHE 80 HD2 -0.39 -0.11 -0.17 -0.04 7.28 6.58 3i26A1 PHE 80 HE2 -1.39 -0.06 -0.07 -0.04 7.38 5.81 3i26A1 PHE 80 HZ -1.15 -0.02 -0.08 -0.04 7.32 6.02 3i26A1 VAL 81 H 0.05 0.25 -0.00 -0.55 8.24 7.99 3i26A1 VAL 81 HA 0.08 0.11 0.73 -0.75 4.13 4.30 3i26A1 VAL 81 HB 0.06 -0.01 -0.08 -0.04 2.12 2.05 3i26A1 VAL 81 HG13 0.04 0.02 -0.16 -0.04 0.97 0.83 3i26A1 VAL 81 HG23 0.02 0.00 -0.11 -0.04 0.95 0.82 3i26A1 SER 82 H 0.12 0.18 -0.03 -0.55 8.46 8.18 3i26A1 SER 82 HA 0.21 0.06 0.59 -0.75 4.49 4.59 3i26A1 SER 82 HB2 0.15 0.10 -0.48 -0.04 3.95 3.68 3i26A1 SER 82 HB3 0.08 -0.13 -0.08 -0.04 3.93 3.76 3i26A1 TYR 83 H 0.25 0.21 0.15 -0.55 8.29 8.34 3i26A1 TYR 83 HA -0.03 0.16 0.80 -0.75 4.56 4.74 3i26A1 TYR 83 HB2 -0.09 0.02 -0.24 -0.04 3.06 2.70 3i26A1 TYR 83 HB3 -0.31 -0.05 -0.04 -0.04 2.98 2.54 3i26A1 TYR 83 HD2 -0.95 -0.00 -0.16 -0.04 7.15 5.99 3i26A1 TYR 83 HE2 -0.12 -0.02 -0.25 -0.04 6.85 6.42 3i26A1 ASP 84 H -0.40 0.16 0.03 -0.55 8.40 7.63 3i26A1 ASP 84 HA -0.14 0.18 0.59 -0.75 4.63 4.51 3i26A1 ASP 84 HB2 -0.15 0.12 0.12 -0.04 2.71 2.76 3i26A1 ASP 84 HB3 -0.13 0.00 0.06 -0.04 2.70 2.60 3i26A1 TYR 85 H 0.09 0.36 -0.04 -0.55 8.29 8.15 3i26A1 TYR 85 HA 0.02 -0.02 0.18 -0.75 4.56 3.98 3i26A1 TYR 85 HB2 0.37 -0.01 0.06 -0.04 3.06 3.45 3i26A1 TYR 85 HB3 0.48 0.06 -0.10 -0.04 2.98 3.38 3i26A1 TYR 85 HD2 0.45 0.15 -0.02 -0.04 7.15 7.68 3i26A1 TYR 85 HE2 0.36 0.09 -0.10 -0.04 6.85 7.16 3i26A1 PHE 86 H 0.34 0.15 0.17 -0.55 8.34 8.45 3i26A1 PHE 86 HA 0.23 0.33 0.85 -0.75 4.62 5.28 3i26A1 PHE 86 HB2 0.04 0.10 -0.06 -0.04 3.15 3.18 3i26A1 PHE 86 HB3 0.00 -0.03 0.06 -0.04 3.06 3.06 3i26A1 PHE 86 HD2 0.04 0.08 -0.02 -0.04 7.28 7.34 3i26A1 PHE 86 HE2 0.01 -0.04 -0.11 -0.04 7.38 7.19 3i26A1 PHE 86 HZ -0.00 -0.05 -0.10 -0.04 7.32 7.13 3i26A1 ASN 87 H 0.20 0.62 0.35 -0.55 8.53 9.16 3i26A1 ASN 87 HA -0.66 0.06 0.41 -0.75 4.76 3.81 3i26A1 ASN 87 HB2 -0.60 -0.07 -0.26 -0.04 2.88 1.91 3i26A1 ASN 87 HB3 -0.79 0.01 -0.13 -0.04 2.79 1.84 3i26A1 ASN 87 HD21 -0.49 0.17 -0.15 -0.04 7.03 6.53 3i26A1 ASN 87 HD22 -0.63 0.05 0.11 -0.04 7.74 7.24 3i26A1 CYS 88 H -0.37 0.24 0.16 -0.55 8.50 7.98 3i26A1 CYS 88 HA -0.05 0.37 0.96 -0.75 4.58 5.12 3i26A1 CYS 88 HB2 -0.17 0.00 0.01 -0.04 2.97 2.76 3i26A1 CYS 88 HB3 -0.07 -0.03 -0.16 -0.04 2.97 2.66 3i26A1 GLY 89 H -0.03 0.82 0.13 -0.55 8.43 8.81 3i26A1 GLY 89 HA2 -0.13 -0.12 0.11 -0.51 4.01 3.36 3i26A1 GLY 89 HA3 -0.10 0.09 0.23 -0.51 4.01 3.72 3i26A1 VAL 90 H -0.04 0.10 0.12 -0.55 8.24 7.87 3i26A1 VAL 90 HA 0.01 0.11 0.57 -0.75 4.13 4.07 3i26A1 VAL 90 HB 0.02 0.04 0.23 -0.04 2.12 2.38 3i26A1 VAL 90 HG13 -0.00 -0.00 -0.09 -0.04 0.97 0.83 3i26A1 VAL 90 HG23 0.01 -0.03 0.05 -0.04 0.95 0.93 3i26A1 GLU 91 H 0.09 0.32 0.17 -0.55 8.60 8.63 3i26A1 GLU 91 HA 0.06 0.25 0.75 -0.75 4.29 4.59 3i26A1 GLU 91 HB2 0.26 -0.05 0.11 -0.04 2.09 2.37 3i26A1 GLU 91 HB3 0.22 0.06 0.04 -0.04 1.99 2.27 3i26A1 GLU 91 HG2 0.11 0.11 -0.05 -0.04 2.34 2.47 3i26A1 GLU 91 HG3 0.11 -0.06 -0.05 -0.04 2.34 2.31 3i26A1 LYS 92 H 0.17 0.27 0.19 -0.55 8.42 8.49 3i26A1 LYS 92 HA 0.10 0.27 1.01 -0.75 4.32 4.95 3i26A1 LYS 92 HB2 0.28 -0.04 0.05 -0.04 1.87 2.11 3i26A1 LYS 92 HB3 0.08 -0.08 -0.12 -0.04 1.79 1.64 3i26A1 LYS 92 HG2 0.13 -0.01 -0.31 -0.04 1.46 1.22 3i26A1 LYS 92 HG3 0.12 0.08 -0.66 -0.04 1.46 0.95 3i26A1 LYS 92 HD2 0.25 -0.03 -0.12 -0.04 1.69 1.75 3i26A1 LYS 92 HD3 0.29 -0.17 -0.16 -0.04 1.68 1.59 3i26A1 LYS 92 HE2 0.14 -0.14 -0.13 -0.04 2.99 2.82 3i26A1 LYS 92 HE3 0.13 0.02 -0.09 -0.04 2.99 3.01 3i26A1 VAL 93 H 0.02 0.63 0.37 -0.55 8.24 8.72 3i26A1 VAL 93 HA 0.23 0.22 1.01 -0.75 4.13 4.84 3i26A1 VAL 93 HB 0.17 -0.02 0.09 -0.04 2.12 2.32 3i26A1 VAL 93 HG13 0.26 -0.03 -0.22 -0.04 0.97 0.94 3i26A1 VAL 93 HG23 0.08 0.00 -0.19 -0.04 0.95 0.80 3i26A1 PHE 94 H 0.49 0.87 0.40 -0.55 8.34 9.55 3i26A1 PHE 94 HA 0.39 0.13 1.02 -0.75 4.62 5.41 3i26A1 PHE 94 HB2 0.19 0.02 0.24 -0.04 3.15 3.57 3i26A1 PHE 94 HB3 0.29 -0.12 0.06 -0.04 3.06 3.24 3i26A1 PHE 94 HD2 0.13 0.07 -0.06 -0.04 7.28 7.38 3i26A1 PHE 94 HE2 -0.21 0.03 -0.13 -0.04 7.38 7.02 3i26A1 PHE 94 HZ -0.15 0.09 -0.16 -0.04 7.32 7.06 3i26A1 TYR 95 H 0.52 0.73 0.23 -0.55 8.29 9.21 3i26A1 TYR 95 HA 0.22 0.21 0.63 -0.75 4.56 4.87 3i26A1 TYR 95 HB2 0.25 0.10 -0.12 -0.04 3.06 3.25 3i26A1 TYR 95 HB3 0.27 -0.02 0.10 -0.04 2.98 3.29 3i26A1 TYR 95 HD2 0.07 0.11 -0.09 -0.04 7.15 7.21 3i26A1 TYR 95 HE2 0.07 0.14 -0.05 -0.04 6.85 6.97 3i26A1 GLU 96 H 0.21 0.41 0.12 -0.55 8.60 8.79 3i26A1 GLU 96 HA -0.13 0.00 0.36 -0.75 4.29 3.77 3i26A1 GLU 96 HB2 0.17 -0.14 0.14 -0.04 2.09 2.21 3i26A1 GLU 96 HB3 0.16 0.04 -0.06 -0.04 1.99 2.10 3i26A1 GLU 96 HG2 0.28 0.12 -0.23 -0.04 2.34 2.47 3i26A1 GLU 96 HG3 0.36 0.07 -0.34 -0.04 2.34 2.39 3i26A1 GLY 97 H 0.06 0.13 0.14 -0.55 8.43 8.21 3i26A1 GLY 97 HA2 0.21 -0.02 0.39 -0.51 4.01 4.08 3i26A1 GLY 97 HA3 -0.07 0.28 0.82 -0.51 4.01 4.53 3i26A1 VAL 98 H -0.19 0.08 -0.08 -0.55 8.24 7.50 3i26A1 VAL 98 HA -0.29 0.14 0.16 -0.75 4.13 3.39 3i26A1 VAL 98 HB -0.51 -0.01 -0.35 -0.04 2.12 1.21 3i26A1 VAL 98 HG13 -0.66 0.00 -0.09 -0.04 0.97 0.18 3i26A1 VAL 98 HG23 -1.81 0.03 -0.30 -0.04 0.95 -1.17 3i26A1 ASN 99 H -0.10 -0.03 -0.31 -0.55 8.53 7.54 3i26A1 ASN 99 HA 0.12 0.11 0.37 -0.75 4.76 4.60 3i26A1 ASN 99 HB2 0.09 0.01 -0.32 -0.04 2.88 2.62 3i26A1 ASN 99 HB3 0.09 0.24 0.03 -0.04 2.79 3.10 3i26A1 ASN 99 HD21 -0.07 -0.16 0.06 -0.04 7.03 6.81 3i26A1 ASN 99 HD22 -0.02 0.19 0.01 -0.04 7.74 7.88 3i26A1 PHE 100 H 0.25 0.41 -0.44 -0.55 8.34 8.00 3i26A1 PHE 100 HA 0.10 0.15 0.40 -0.75 4.62 4.51 3i26A1 PHE 100 HB2 0.27 -0.06 0.03 -0.04 3.15 3.35 3i26A1 PHE 100 HB3 0.43 -0.06 0.16 -0.04 3.06 3.56 3i26A1 PHE 100 HD2 0.13 -0.00 -0.11 -0.04 7.28 7.27 3i26A1 PHE 100 HE2 -0.10 0.00 -0.16 -0.04 7.38 7.07 3i26A1 PHE 100 HZ -0.00 -0.00 -0.13 -0.04 7.32 7.14 3i26A1 SER 101 H -0.06 0.19 0.05 -0.55 8.46 8.09 3i26A1 SER 101 HA 0.16 0.14 0.73 -0.75 4.49 4.77 3i26A1 SER 101 HB2 0.37 0.02 0.12 -0.04 3.95 4.42 3i26A1 SER 101 HB3 0.21 0.02 0.25 -0.04 3.93 4.37 3i26A1 PRO 102 HA 0.04 0.03 0.36 -0.51 4.44 4.37 3i26A1 PRO 102 HB2 0.09 0.05 -0.04 -0.04 2.28 2.33 3i26A1 PRO 102 HB3 0.08 -0.00 0.05 -0.04 2.02 2.11 3i26A1 PRO 102 HG2 0.11 0.19 -0.07 -0.04 2.03 2.21 3i26A1 PRO 102 HG3 0.12 -0.01 -0.02 -0.04 2.03 2.08 3i26A1 PRO 102 HD2 0.15 0.18 -0.24 -0.04 3.68 3.74 3i26A1 PRO 102 HD3 0.14 0.04 0.05 -0.04 3.65 3.83 3i26A1 ARG 103 H 0.15 0.41 -0.19 -0.55 8.46 8.27 3i26A1 ARG 103 HA -0.02 0.00 0.45 -0.75 4.34 4.02 3i26A1 ARG 103 HB2 -0.08 0.01 0.13 -0.04 1.90 1.92 3i26A1 ARG 103 HB3 0.03 -0.01 0.02 -0.04 1.80 1.80 3i26A1 ARG 103 HG2 -0.32 0.08 -0.20 -0.04 1.67 1.18 3i26A1 ARG 103 HG3 -0.26 -0.04 0.07 -0.04 1.67 1.40 3i26A1 ARG 103 HD2 -1.73 -0.07 -0.04 -0.04 3.22 1.33 3i26A1 ARG 103 HD3 -1.21 0.03 -0.07 -0.04 3.22 1.92 3i26A1 LYS 104 H -0.07 0.30 -0.26 -0.55 8.42 7.84 3i26A1 LYS 104 HA -0.18 0.08 0.40 -0.75 4.32 3.87 3i26A1 LYS 104 HB2 -0.23 -0.06 0.12 -0.04 1.87 1.67 3i26A1 LYS 104 HB3 -0.40 -0.04 0.06 -0.04 1.79 1.37 3i26A1 LYS 104 HG2 -0.31 -0.03 -0.01 -0.04 1.46 1.07 3i26A1 LYS 104 HG3 -0.31 0.03 0.10 -0.04 1.46 1.25 3i26A1 LYS 104 HD2 -0.39 0.13 0.12 -0.04 1.69 1.50 3i26A1 LYS 104 HD3 -0.74 -0.09 0.03 -0.04 1.68 0.84 3i26A1 LYS 104 HE2 -1.20 -0.03 0.03 -0.04 2.99 1.75 3i26A1 LYS 104 HE3 -0.84 -0.07 0.00 -0.04 2.99 2.04 3i26A1 GLN 105 H -0.08 0.37 -0.34 -0.55 8.47 7.88 3i26A1 GLN 105 HA -0.03 -0.06 0.27 -0.75 4.36 3.79 3i26A1 GLN 105 HB2 -0.07 0.14 -0.18 -0.04 2.15 1.99 3i26A1 GLN 105 HB3 -0.05 -0.08 0.20 -0.04 2.02 2.05 3i26A1 GLN 105 HG2 -0.04 0.23 -0.00 -0.04 2.40 2.55 3i26A1 GLN 105 HG3 -0.04 -0.04 0.01 -0.04 2.39 2.28 3i26A1 GLN 105 HE21 0.03 -0.14 0.03 -0.04 6.97 6.85 3i26A1 GLN 105 HE22 0.01 0.35 0.09 -0.04 7.69 8.10 3i26A1 TYR 106 H -0.10 0.02 -0.28 -0.55 8.29 7.38 3i26A1 TYR 106 HA -0.16 0.17 0.52 -0.75 4.56 4.34 3i26A1 TYR 106 HB2 -0.36 0.06 -0.05 -0.04 3.06 2.67 3i26A1 TYR 106 HB3 -0.33 -0.08 -0.02 -0.04 2.98 2.51 3i26A1 TYR 106 HD2 -0.52 -0.04 -0.23 -0.04 7.15 6.31 3i26A1 TYR 106 HE2 -0.76 -0.05 -0.18 -0.04 6.85 5.81 3i26A1 SER 107 H -0.74 0.41 0.22 -0.55 8.46 7.80 3i26A1 SER 107 HA -0.16 0.07 0.09 -0.75 4.49 3.73 3i26A1 SER 107 HB2 0.20 -0.18 -0.02 -0.04 3.95 3.91 3i26A1 SER 107 HB3 0.12 0.05 -0.31 -0.04 3.93 3.75 3i26A1 CYS 108 H 0.25 -0.02 0.07 -0.55 8.50 8.25 3i26A1 CYS 108 HA -0.21 0.19 0.87 -0.75 4.58 4.68 3i26A1 CYS 108 HB2 0.10 0.10 -0.19 -0.04 2.97 2.94 3i26A1 CYS 108 HB3 0.38 -0.13 0.11 -0.04 2.97 3.28 3i26A1 TRP 109 H 0.48 -0.02 0.17 -0.55 7.97 8.05 3i26A1 TRP 109 HA 0.11 0.18 0.89 -0.75 4.62 5.04 3i26A1 TRP 109 HB2 0.18 -0.19 0.17 -0.04 3.23 3.34 3i26A1 TRP 109 HB3 0.15 0.32 0.28 -0.04 3.23 3.94 3i26A1 TRP 109 HD1 0.23 -0.08 -0.14 -0.04 7.22 7.19 3i26A1 TRP 109 HE1 0.15 0.51 0.18 -0.04 10.20 11.00 3i26A1 TRP 109 HE3 0.20 0.00 0.09 -0.04 7.59 7.84 3i26A1 TRP 109 HZ2 0.27 0.08 -0.06 -0.04 7.44 7.68 3i26A1 TRP 109 HZ3 0.17 0.07 0.00 -0.04 7.13 7.33 3i26A1 TRP 109 HH2 0.29 0.05 -0.03 -0.04 7.19 7.45 3i26A1 ASP 110 H 0.42 0.69 0.47 -0.55 8.40 9.44 3i26A1 ASP 110 HA 0.14 0.21 0.69 -0.75 4.63 4.91 3i26A1 ASP 110 HB2 0.21 0.06 -0.03 -0.04 2.71 2.91 3i26A1 ASP 110 HB3 0.13 0.02 0.12 -0.04 2.70 2.93 3i26A1 GLU 111 H 0.23 -0.06 -0.14 -0.55 8.60 8.09 3i26A1 GLU 111 HA 0.11 0.13 0.25 -0.75 4.29 4.03 3i26A1 GLU 111 HB2 0.04 0.03 0.13 -0.04 2.09 2.24 3i26A1 GLU 111 HB3 0.07 -0.08 0.14 -0.04 1.99 2.08 3i26A1 GLU 111 HG2 0.34 0.21 -0.12 -0.04 2.34 2.73 3i26A1 GLU 111 HG3 -0.03 0.16 -0.01 -0.04 2.34 2.42 3i26A1 GLY 112 H 0.17 0.07 -0.35 -0.55 8.43 7.77 3i26A1 GLY 112 HA2 0.11 0.11 0.28 -0.51 4.01 4.01 3i26A1 GLY 112 HA3 0.12 0.11 0.40 -0.51 4.01 4.13 3i26A1 VAL 113 H 0.12 0.20 0.12 -0.55 8.24 8.13 3i26A1 VAL 113 HA 0.30 0.34 0.42 -0.75 4.13 4.44 3i26A1 VAL 113 HB 0.10 -0.02 0.11 -0.04 2.12 2.27 3i26A1 VAL 113 HG13 0.12 0.01 -0.07 -0.04 0.97 0.99 3i26A1 VAL 113 HG23 0.05 0.05 -0.14 -0.04 0.95 0.86 3i26A1 ASP 114 H 0.14 0.13 -0.07 -0.55 8.40 8.05 3i26A1 ASP 114 HA 0.14 0.03 0.42 -0.75 4.63 4.46 3i26A1 ASP 114 HB2 0.09 0.07 0.07 -0.04 2.71 2.90 3i26A1 ASP 114 HB3 0.08 0.04 -0.02 -0.04 2.70 2.76 3i26A1 GLY 115 H 0.16 0.31 -0.38 -0.55 8.43 7.97 3i26A1 GLY 115 HA2 0.03 0.02 0.47 -0.51 4.01 4.01 3i26A1 GLY 115 HA3 0.05 0.08 0.24 -0.51 4.01 3.87 3i26A1 TRP 116 H 0.46 0.36 -0.28 -0.55 7.97 7.97 3i26A1 TRP 116 HA 0.28 0.04 0.43 -0.75 4.62 4.62 3i26A1 TRP 116 HB2 0.46 0.18 0.09 -0.04 3.23 3.92 3i26A1 TRP 116 HB3 0.79 -0.04 -0.05 -0.04 3.23 3.88 3i26A1 TRP 116 HD1 0.24 0.15 -0.05 -0.04 7.22 7.52 3i26A1 TRP 116 HE1 0.18 -0.27 -0.03 -0.04 10.20 10.04 3i26A1 TRP 116 HE3 0.30 -0.06 -0.06 -0.04 7.59 7.73 3i26A1 TRP 116 HZ2 -0.55 -0.04 -0.11 -0.04 7.44 6.70 3i26A1 TRP 116 HZ3 -0.77 0.04 -0.11 -0.04 7.13 6.25 3i26A1 TRP 116 HH2 -0.76 0.10 -0.11 -0.04 7.19 6.39 3i26A1 ILE 117 H 0.33 0.45 -0.09 -0.55 8.25 8.38 3i26A1 ILE 117 HA 0.24 0.03 0.63 -0.75 4.18 4.33 3i26A1 ILE 117 HB 0.14 0.09 0.14 -0.04 1.89 2.22 3i26A1 ILE 117 HG12 0.24 0.25 -0.01 -0.04 1.49 1.93 3i26A1 ILE 117 HG13 0.16 -0.04 -0.02 -0.04 1.21 1.27 3i26A1 ILE 117 HG23 0.10 -0.02 -0.03 -0.04 0.93 0.94 3i26A1 ILE 117 HD13 0.30 -0.03 -0.17 -0.04 0.88 0.94 3i26A1 GLU 118 H 0.10 0.63 -0.09 -0.55 8.60 8.69 3i26A1 GLU 118 HA 0.03 0.00 0.55 -0.75 4.29 4.13 3i26A1 GLU 118 HB2 0.03 -0.03 0.13 -0.04 2.09 2.18 3i26A1 GLU 118 HB3 0.01 0.21 0.22 -0.04 1.99 2.39 3i26A1 GLU 118 HG2 -0.00 -0.01 0.01 -0.04 2.34 2.30 3i26A1 GLU 118 HG3 0.00 0.02 -0.26 -0.04 2.34 2.06 3i26A1 LEU 119 H -0.00 0.44 -0.11 -0.55 8.37 8.15 3i26A1 LEU 119 HA 0.12 0.07 0.43 -0.75 4.35 4.22 3i26A1 LEU 119 HB2 0.07 0.06 0.08 -0.04 1.64 1.82 3i26A1 LEU 119 HB3 0.26 -0.01 -0.02 -0.04 1.64 1.83 3i26A1 LEU 119 HG -0.45 0.21 0.04 -0.04 1.64 1.39 3i26A1 LEU 119 HD13 -1.14 0.02 -0.09 -0.04 0.93 -0.33 3i26A1 LEU 119 HD23 -0.14 0.00 0.08 -0.04 0.89 0.79 3i26A1 LYS 120 H -0.09 0.62 -0.12 -0.55 8.42 8.28 3i26A1 LYS 120 HA -1.72 -0.02 0.44 -0.75 4.32 2.26 3i26A1 LYS 120 HB2 -0.32 0.09 0.16 -0.04 1.87 1.76 3i26A1 LYS 120 HB3 -0.06 0.15 0.19 -0.04 1.79 2.03 3i26A1 LYS 120 HG2 0.09 -0.06 -0.19 -0.04 1.46 1.26 3i26A1 LYS 120 HG3 -0.15 -0.09 0.06 -0.04 1.46 1.23 3i26A1 LYS 120 HD2 0.32 0.17 0.09 -0.04 1.69 2.23 3i26A1 LYS 120 HD3 0.12 -0.14 0.06 -0.04 1.68 1.68 3i26A1 LYS 120 HE2 0.02 -0.15 0.01 -0.04 2.99 2.83 3i26A1 LYS 120 HE3 0.27 -0.03 0.14 -0.04 2.99 3.33 3i26A1 THR 121 H -0.04 0.51 -0.29 -0.55 8.28 7.92 3i26A1 THR 121 HA 0.00 -0.03 0.31 -0.75 4.39 3.92 3i26A1 THR 121 HB 0.01 0.16 0.18 -0.04 4.32 4.62 3i26A1 THR 121 HG23 -0.00 0.01 -0.09 -0.04 1.22 1.09 3i26A1 ARG 122 H 0.00 0.60 -0.05 -0.55 8.46 8.47 3i26A1 ARG 122 HA 0.01 0.03 0.43 -0.75 4.34 4.05 3i26A1 ARG 122 HB2 0.24 0.10 0.18 -0.04 1.90 2.38 3i26A1 ARG 122 HB3 0.28 -0.07 0.03 -0.04 1.80 2.01 3i26A1 ARG 122 HG2 0.07 -0.04 0.07 -0.04 1.67 1.73 3i26A1 ARG 122 HG3 0.06 0.20 0.09 -0.04 1.67 1.97 3i26A1 ARG 122 HD2 0.12 -0.00 0.03 -0.04 3.22 3.32 3i26A1 ARG 122 HD3 0.11 -0.01 0.10 -0.04 3.22 3.38 3i26A1 PHE 123 H -0.21 0.58 -0.24 -0.55 8.34 7.92 3i26A1 PHE 123 HA -0.88 0.02 0.31 -0.75 4.62 3.31 3i26A1 PHE 123 HB2 -1.08 0.02 0.01 -0.04 3.15 2.06 3i26A1 PHE 123 HB3 -0.60 0.10 0.16 -0.04 3.06 2.68 3i26A1 PHE 123 HD2 -0.90 0.01 -0.09 -0.04 7.28 6.26 3i26A1 PHE 123 HE2 -0.53 -0.08 -0.20 -0.04 7.38 6.53 3i26A1 PHE 123 HZ -0.46 0.02 -0.24 -0.04 7.32 6.60 3i26A1 TYR 124 H -0.27 0.57 -0.05 -0.55 8.29 7.99 3i26A1 TYR 124 HA -1.18 -0.03 0.33 -0.75 4.56 2.92 3i26A1 TYR 124 HB2 -0.32 0.11 0.07 -0.04 3.06 2.88 3i26A1 TYR 124 HB3 -0.83 0.00 -0.04 -0.04 2.98 2.08 3i26A1 TYR 124 HD2 -0.39 0.15 -0.05 -0.04 7.15 6.82 3i26A1 TYR 124 HE2 0.07 -0.02 -0.02 -0.04 6.85 6.84 3i26A1 THR 125 H -0.23 0.51 -0.29 -0.55 8.28 7.73 3i26A1 THR 125 HA -0.02 0.13 0.41 -0.75 4.39 4.15 3i26A1 THR 125 HB -0.09 0.10 0.20 -0.04 4.32 4.48 3i26A1 THR 125 HG23 -0.05 -0.01 -0.03 -0.04 1.22 1.09 3i26A1 LYS 126 H -0.30 0.45 -0.17 -0.55 8.42 7.85 3i26A1 LYS 126 HA -0.19 0.02 0.32 -0.75 4.32 3.72 3i26A1 LYS 126 HB2 -0.06 0.06 0.13 -0.04 1.87 1.96 3i26A1 LYS 126 HB3 -0.19 0.03 0.07 -0.04 1.79 1.65 3i26A1 LYS 126 HG2 0.06 0.04 -0.24 -0.04 1.46 1.28 3i26A1 LYS 126 HG3 -0.03 -0.05 -0.20 -0.04 1.46 1.13 3i26A1 LYS 126 HD2 -0.05 -0.05 0.04 -0.04 1.69 1.59 3i26A1 LYS 126 HD3 -0.01 0.01 0.04 -0.04 1.68 1.68 3i26A1 LYS 126 HE2 0.09 0.12 0.03 -0.04 2.99 3.19 3i26A1 LYS 126 HE3 0.15 -0.03 -0.08 -0.04 2.99 2.99 3i26A1 LEU 127 H -0.73 0.65 -0.08 -0.55 8.37 7.66 3i26A1 LEU 127 HA -0.41 0.01 0.37 -0.75 4.35 3.56 3i26A1 LEU 127 HB2 -1.41 0.01 0.00 -0.04 1.64 0.19 3i26A1 LEU 127 HB3 -1.09 0.04 0.08 -0.04 1.64 0.64 3i26A1 LEU 127 HG -0.49 0.05 -0.31 -0.04 1.64 0.85 3i26A1 LEU 127 HD13 -0.60 -0.00 -0.09 -0.04 0.93 0.20 3i26A1 LEU 127 HD23 -0.54 -0.03 -0.13 -0.04 0.89 0.15 3i26A1 TYR 128 H -0.58 0.64 -0.15 -0.55 8.29 7.65 3i26A1 TYR 128 HA -0.22 -0.01 0.33 -0.75 4.56 3.90 3i26A1 TYR 128 HB2 0.04 0.15 0.05 -0.04 3.06 3.26 3i26A1 TYR 128 HB3 0.12 0.00 -0.09 -0.04 2.98 2.97 3i26A1 TYR 128 HD2 -0.38 0.08 -0.24 -0.04 7.15 6.57 3i26A1 TYR 128 HE2 -0.57 -0.07 -0.16 -0.04 6.85 6.02 3i26A1 GLN 129 H -0.26 0.50 -0.16 -0.55 8.47 8.00 3i26A1 GLN 129 HA -0.19 0.01 0.39 -0.75 4.36 3.81 3i26A1 GLN 129 HB2 -0.26 0.07 0.18 -0.04 2.15 2.10 3i26A1 GLN 129 HB3 -0.22 -0.07 0.01 -0.04 2.02 1.70 3i26A1 GLN 129 HG2 -1.09 -0.08 0.04 -0.04 2.40 1.24 3i26A1 GLN 129 HG3 -1.19 0.21 0.12 -0.04 2.39 1.49 3i26A1 GLN 129 HE21 -0.16 -0.06 -0.02 -0.04 6.97 6.69 3i26A1 GLN 129 HE22 -0.54 0.01 0.00 -0.04 7.69 7.12 3i26A1 MET 130 H -0.10 0.60 -0.13 -0.55 8.47 8.29 3i26A1 MET 130 HA 0.06 0.00 0.32 -0.75 4.52 4.16 3i26A1 MET 130 HB2 -0.05 0.09 0.07 -0.04 2.15 2.22 3i26A1 MET 130 HB3 0.03 -0.05 -0.07 -0.04 2.03 1.90 3i26A1 MET 130 HG2 0.25 -0.06 -0.04 -0.04 2.63 2.74 3i26A1 MET 130 HG3 0.02 0.11 0.04 -0.04 2.56 2.69 3i26A1 MET 130 HE3 -0.12 0.02 -0.29 -0.04 2.10 1.67 3i26A1 ALA 131 H -0.01 0.52 -0.20 -0.55 8.40 8.16 3i26A1 ALA 131 HA 0.06 -0.03 0.36 -0.75 4.34 3.99 3i26A1 ALA 131 HB3 0.15 0.00 0.03 -0.04 1.41 1.55 3i26A1 THR 132 H 0.06 0.37 -0.43 -0.55 8.28 7.74 3i26A1 THR 132 HA 0.06 0.25 0.39 -0.75 4.39 4.35 3i26A1 THR 132 HB 0.05 -0.18 -0.01 -0.04 4.32 4.14 3i26A1 THR 132 HG23 0.13 0.06 0.16 -0.04 1.22 1.53 3i26A1 THR 133 H 0.06 0.34 -0.31 -0.55 8.28 7.81 3i26A1 THR 133 HA 0.04 0.32 1.03 -0.75 4.39 5.02 3i26A1 THR 133 HB 0.05 -0.04 0.26 -0.04 4.32 4.55 3i26A1 THR 133 HG23 0.04 -0.02 -0.10 -0.04 1.22 1.10 3i26A1 SER 134 H 0.05 0.57 -0.10 -0.55 8.46 8.44 3i26A1 SER 134 HA 0.04 0.06 0.80 -0.75 4.49 4.64 3i26A1 SER 134 HB2 0.06 0.02 -0.09 -0.04 3.95 3.91 3i26A1 SER 134 HB3 0.04 -0.11 0.10 -0.04 3.93 3.92 3i26A1 ARG 135 H 0.04 -0.06 -0.06 -0.55 8.46 7.84 3i26A1 ARG 135 HA 0.03 0.44 0.79 -0.75 4.34 4.85 3i26A1 ARG 135 HB2 0.02 0.02 -0.12 -0.04 1.90 1.78 3i26A1 ARG 135 HB3 0.02 -0.07 0.03 -0.04 1.80 1.74 3i26A1 ARG 135 HG2 -0.02 -0.06 -0.26 -0.04 1.67 1.30 3i26A1 ARG 135 HG3 -0.02 -0.01 -0.32 -0.04 1.67 1.29 3i26A1 ARG 135 HD2 -0.01 0.00 -0.07 -0.04 3.22 3.11 3i26A1 ARG 135 HD3 0.00 0.01 -0.06 -0.04 3.22 3.13 3i26A1 CYS 136 H 0.06 -0.07 0.16 -0.55 8.50 8.10 3i26A1 CYS 136 HA 0.08 0.30 0.97 -0.75 4.58 5.18 3i26A1 CYS 136 HB2 0.11 -0.08 0.08 -0.04 2.97 3.04 3i26A1 CYS 136 HB3 0.25 0.07 -0.08 -0.04 2.97 3.16 3i26A1 ILE 137 H 0.25 0.61 0.29 -0.55 8.25 8.85 3i26A1 ILE 137 HA 0.16 0.24 0.76 -0.75 4.18 4.58 3i26A1 ILE 137 HB 0.27 -0.03 0.06 -0.04 1.89 2.14 3i26A1 ILE 137 HG12 0.05 0.05 -0.14 -0.04 1.49 1.41 3i26A1 ILE 137 HG13 0.14 0.02 -0.62 -0.04 1.21 0.70 3i26A1 ILE 137 HG23 0.00 -0.03 -0.22 -0.04 0.93 0.65 3i26A1 ILE 137 HD13 0.00 -0.01 -0.15 -0.04 0.88 0.69 3i26A1 LYS 138 H 0.23 0.60 0.16 -0.55 8.42 8.86 3i26A1 LYS 138 HA 0.38 0.23 1.04 -0.75 4.32 5.22 3i26A1 LYS 138 HB2 0.17 -0.07 -0.19 -0.04 1.87 1.74 3i26A1 LYS 138 HB3 0.01 -0.01 0.04 -0.04 1.79 1.79 3i26A1 LYS 138 HG2 -0.15 0.04 -0.43 -0.04 1.46 0.88 3i26A1 LYS 138 HG3 -0.32 0.07 -0.03 -0.04 1.46 1.14 3i26A1 LYS 138 HD2 -1.02 -0.05 -0.09 -0.04 1.69 0.49 3i26A1 LYS 138 HD3 -0.27 -0.02 -0.12 -0.04 1.68 1.23 3i26A1 LYS 138 HE2 -0.27 0.01 -0.13 -0.04 2.99 2.57 3i26A1 LYS 138 HE3 -0.60 0.03 -0.08 -0.04 2.99 2.29 3i26A1 LEU 139 H 0.18 0.73 0.21 -0.55 8.37 8.94 3i26A1 LEU 139 HA -0.37 0.17 0.77 -0.75 4.35 4.16 3i26A1 LEU 139 HB2 -0.25 -0.08 0.09 -0.04 1.64 1.36 3i26A1 LEU 139 HB3 -0.04 -0.07 0.17 -0.04 1.64 1.66 3i26A1 LEU 139 HG -0.19 -0.00 -0.23 -0.04 1.64 1.18 3i26A1 LEU 139 HD13 -0.76 0.05 -0.14 -0.04 0.93 0.04 3i26A1 LEU 139 HD23 -0.01 0.08 -0.12 -0.04 0.89 0.79 3i26A1 ILE 140 H -0.14 0.65 0.43 -0.55 8.25 8.65 3i26A1 ILE 140 HA -0.09 0.14 0.97 -0.75 4.18 4.45 3i26A1 ILE 140 HB -0.05 0.04 -0.05 -0.04 1.89 1.80 3i26A1 ILE 140 HG12 0.01 0.10 0.04 -0.04 1.49 1.60 3i26A1 ILE 140 HG13 -0.02 -0.12 -0.14 -0.04 1.21 0.88 3i26A1 ILE 140 HG23 -0.07 0.03 -0.24 -0.04 0.93 0.61 3i26A1 ILE 140 HD13 0.10 0.00 -0.14 -0.04 0.88 0.80 3i26A1 GLN 141 H -0.07 0.12 0.13 -0.55 8.47 8.10 3i26A1 GLN 141 HA -0.07 0.21 0.86 -0.75 4.36 4.60 3i26A1 GLN 141 HB2 -0.04 -0.08 0.17 -0.04 2.15 2.15 3i26A1 GLN 141 HB3 -0.04 0.12 0.06 -0.04 2.02 2.12 3i26A1 GLN 141 HG2 -0.06 -0.05 -0.02 -0.04 2.40 2.23 3i26A1 GLN 141 HG3 -0.04 -0.05 0.02 -0.04 2.39 2.28 3i26A1 GLN 141 HE21 -0.04 -0.02 -0.08 -0.04 6.97 6.80 3i26A1 GLN 141 HE22 -0.04 -0.06 -0.06 -0.04 7.69 7.49 3i26A1 LEU 142 H -0.06 0.46 0.01 -0.55 8.37 8.24 3i26A1 LEU 142 HA -0.03 0.01 0.49 -0.75 4.35 4.07 3i26A1 LEU 142 HB2 -0.04 0.00 -0.17 -0.04 1.64 1.40 3i26A1 LEU 142 HB3 -0.01 0.10 0.00 -0.04 1.64 1.69 3i26A1 LEU 142 HG -0.07 -0.09 -0.38 -0.04 1.64 1.05 3i26A1 LEU 142 HD13 -0.12 -0.01 -0.38 -0.04 0.93 0.38 3i26A1 LEU 142 HD23 -0.07 0.05 -0.08 -0.04 0.89 0.75 3i26A1 GLN 143 H -0.01 0.08 0.14 -0.55 8.47 8.14 3i26A1 GLN 143 HA -0.00 0.08 0.78 -0.75 4.36 4.46 3i26A1 GLN 143 HB2 -0.01 -0.06 0.15 -0.04 2.15 2.18 3i26A1 GLN 143 HB3 -0.01 0.15 -0.04 -0.04 2.02 2.08 3i26A1 GLN 143 HG2 -0.01 -0.00 0.04 -0.04 2.40 2.38 3i26A1 GLN 143 HG3 -0.01 -0.05 0.04 -0.04 2.39 2.32 3i26A1 GLN 143 HE21 -0.01 -0.01 0.02 -0.04 6.97 6.93 3i26A1 GLN 143 HE22 -0.01 -0.04 0.02 -0.04 7.69 7.61 3i26A1 ALA 144 H 0.01 0.05 0.11 -0.55 8.40 8.02 3i26A1 ALA 144 HA 0.05 0.12 0.50 -0.75 4.34 4.25 3i26A1 ALA 144 HB3 0.02 -0.00 0.05 -0.04 1.41 1.43 3i26A1 PRO 145 HA -0.08 0.10 0.67 -0.51 4.44 4.63 3i26A1 PRO 145 HB2 -0.23 0.06 -0.04 -0.04 2.28 2.02 3i26A1 PRO 145 HB3 -0.17 -0.02 0.12 -0.04 2.02 1.91 3i26A1 PRO 145 HG2 -1.08 -0.01 -0.02 -0.04 2.03 0.87 3i26A1 PRO 145 HG3 -0.36 0.04 -0.10 -0.04 2.03 1.57 3i26A1 PRO 145 HD2 -0.36 0.04 0.14 -0.04 3.68 3.46 3i26A1 PRO 145 HD3 -0.20 0.22 0.15 -0.04 3.65 3.79 3i26A1 SER 146 H -0.05 0.10 0.20 -0.55 8.46 8.16 3i26A1 SER 146 HA -0.03 0.10 0.29 -0.75 4.49 4.10 3i26A1 SER 146 HB2 -0.03 -0.06 0.13 -0.04 3.95 3.94 3i26A1 SER 146 HB3 -0.03 -0.02 0.04 -0.04 3.93 3.88 3i26A1 SER 147 H -0.05 0.05 -0.07 -0.55 8.46 7.85 3i26A1 SER 147 HA -0.03 0.16 0.85 -0.75 4.49 4.73 3i26A1 SER 147 HB2 -0.03 -0.02 0.00 -0.04 3.95 3.87 3i26A1 SER 147 HB3 -0.03 -0.04 0.11 -0.04 3.93 3.92 3i26A1 LEU 148 H -0.02 0.25 0.03 -0.55 8.37 8.09 3i26A1 LEU 148 HA -0.04 0.14 0.68 -0.75 4.35 4.38 3i26A1 LEU 148 HB2 -0.02 -0.04 -0.01 -0.04 1.64 1.53 3i26A1 LEU 148 HB3 0.00 0.13 -0.08 -0.04 1.64 1.64 3i26A1 LEU 148 HG -0.11 0.13 -0.36 -0.04 1.64 1.26 3i26A1 LEU 148 HD13 0.03 -0.02 -0.08 -0.04 0.93 0.82 3i26A1 LEU 148 HD23 -0.21 -0.00 -0.01 -0.04 0.89 0.62 3i26A1 PRO 149 HA -0.00 0.05 0.62 -0.51 4.44 4.59 3i26A1 PRO 149 HB2 -0.00 0.13 -0.10 -0.04 2.28 2.27 3i26A1 PRO 149 HB3 -0.01 -0.04 0.11 -0.04 2.02 2.04 3i26A1 PRO 149 HG2 -0.00 0.04 -0.02 -0.04 2.03 2.00 3i26A1 PRO 149 HG3 -0.01 0.02 -0.01 -0.04 2.03 1.99 3i26A1 PRO 149 HD2 -0.00 0.13 0.06 -0.04 3.68 3.82 3i26A1 PRO 149 HD3 -0.02 0.15 0.02 -0.04 3.65 3.77 3i26A1 THR 150 H -0.00 0.04 0.13 -0.55 8.28 7.90 3i26A1 THR 150 HA 0.01 0.06 0.46 -0.75 4.39 4.17 3i26A1 THR 150 HB -0.00 -0.08 0.12 -0.04 4.32 4.32 3i26A1 THR 150 HG23 0.01 0.01 -0.13 -0.04 1.22 1.07 3i26A1 LEU 151 H 0.02 0.19 0.20 -0.55 8.37 8.22 3i26A1 LEU 151 HA 0.01 0.31 0.83 -0.75 4.35 4.74 3i26A1 LEU 151 HB2 0.04 -0.03 -0.02 -0.04 1.64 1.59 3i26A1 LEU 151 HB3 0.04 -0.04 -0.17 -0.04 1.64 1.43 3i26A1 LEU 151 HG 0.03 0.21 -0.61 -0.04 1.64 1.24 3i26A1 LEU 151 HD13 0.13 -0.02 -0.16 -0.04 0.93 0.84 3i26A1 LEU 151 HD23 0.03 -0.01 -0.31 -0.04 0.89 0.56 3i26A1 GLN 152 H 0.01 0.69 0.30 -0.55 8.47 8.92 3i26A1 GLN 152 HA 0.02 0.11 0.93 -0.75 4.36 4.68 3i26A1 GLN 152 HB2 0.02 -0.02 0.04 -0.04 2.15 2.14 3i26A1 GLN 152 HB3 0.02 0.01 0.15 -0.04 2.02 2.15 3i26A1 GLN 152 HG2 0.05 0.25 -0.25 -0.04 2.40 2.41 3i26A1 GLN 152 HG3 0.04 -0.05 0.06 -0.04 2.39 2.39 3i26A1 GLN 152 HE21 0.04 -0.04 -0.02 -0.04 6.97 6.90 3i26A1 GLN 152 HE22 0.03 -0.01 -0.02 -0.04 7.69 7.65 3i26A1 ALA 153 H 0.03 0.10 0.15 -0.55 8.40 8.13 3i26A1 ALA 153 HA 0.03 0.05 0.47 -0.75 4.34 4.14 3i26A1 ALA 153 HB3 0.04 0.01 0.12 -0.04 1.41 1.54 3i26A1 GLY 154 H 0.05 0.52 0.35 -0.55 8.43 8.81 3i26A1 GLY 154 HA2 0.12 0.04 0.53 -0.51 4.01 4.20 3i26A1 GLY 154 HA3 0.12 0.02 0.25 -0.51 4.01 3.89 3i26A1 VAL 155 H 0.29 0.23 0.16 -0.55 8.24 8.37 3i26A1 VAL 155 HA 0.12 0.13 0.67 -0.75 4.13 4.30 3i26A1 VAL 155 HB 0.06 0.05 0.07 -0.04 2.12 2.26 3i26A1 VAL 155 HG13 0.08 0.02 -0.22 -0.04 0.97 0.82 3i26A1 VAL 155 HG23 0.22 -0.02 -0.18 -0.04 0.95 0.93 3i26A1 CYS 156 H 0.03 0.23 0.13 -0.55 8.50 8.34 3i26A1 CYS 156 HA -0.10 0.07 0.74 -0.75 4.58 4.54 3i26A1 CYS 156 HB2 -0.10 0.10 0.13 -0.04 2.97 3.06 3i26A1 CYS 156 HB3 -0.22 0.05 0.20 -0.04 2.97 2.96 3i26A1 ARG 157 H -1.91 0.15 0.21 -0.55 8.46 6.35 3i26A1 ARG 157 HA -0.65 0.08 0.54 -0.75 4.34 3.56 3i26A1 ARG 157 HB2 -1.85 -0.05 0.20 -0.04 1.90 0.17 3i26A1 ARG 157 HB3 -0.59 0.03 0.08 -0.04 1.80 1.28 3i26A1 ARG 157 HG2 -0.30 0.02 0.04 -0.04 1.67 1.39 3i26A1 ARG 157 HG3 -0.41 0.01 0.07 -0.04 1.67 1.30 3i26A1 ARG 157 HD2 -0.15 -0.00 -0.10 -0.04 3.22 2.93 3i26A1 ARG 157 HD3 -0.09 0.01 -0.02 -0.04 3.22 3.08 3i26A1 THR 158 H -0.38 0.45 -0.02 -0.55 8.28 7.78 3i26A1 THR 158 HA -0.17 0.09 0.36 -0.75 4.39 3.92 3i26A1 THR 158 HB -0.17 0.01 0.10 -0.04 4.32 4.22 3i26A1 THR 158 HG23 -0.17 0.01 -0.18 -0.04 1.22 0.84 3i26A1 ASN 159 H -0.19 0.36 -0.66 -0.55 8.53 7.49 3i26A1 ASN 159 HA -0.08 0.06 0.31 -0.75 4.76 4.30 3i26A1 ASN 159 HB2 -0.07 0.17 0.21 -0.04 2.88 3.14 3i26A1 ASN 159 HB3 -0.05 -0.08 0.20 -0.04 2.79 2.82 3i26A1 ASN 159 HD21 -0.06 -0.03 0.00 -0.04 7.03 6.90 3i26A1 ASN 159 HD22 -0.06 0.00 0.06 -0.04 7.74 7.71 3i26A1 LYS 160 H -0.15 -0.03 -0.48 -0.55 8.42 7.21 3i26A1 LYS 160 HA -0.03 0.14 0.75 -0.75 4.32 4.42 3i26A1 LYS 160 HB2 -0.32 0.08 0.04 -0.04 1.87 1.63 3i26A1 LYS 160 HB3 0.01 -0.08 0.09 -0.04 1.79 1.77 3i26A1 LYS 160 HG2 -0.09 0.02 0.02 -0.04 1.46 1.36 3i26A1 LYS 160 HG3 -0.17 0.04 -0.05 -0.04 1.46 1.23 3i26A1 LYS 160 HD2 -0.46 -0.06 0.19 -0.04 1.69 1.32 3i26A1 LYS 160 HD3 -0.19 -0.04 0.06 -0.04 1.68 1.47 3i26A1 LYS 160 HE2 -0.14 -0.01 0.05 -0.04 2.99 2.84 3i26A1 LYS 160 HE3 -0.16 0.21 0.15 -0.04 2.99 3.15 3i26A1 GLN 161 H 0.12 0.08 0.05 -0.55 8.47 8.17 3i26A1 GLN 161 HA -0.04 0.05 0.24 -0.75 4.36 3.85 3i26A1 GLN 161 HB2 -0.14 -0.08 0.07 -0.04 2.15 1.96 3i26A1 GLN 161 HB3 -0.41 -0.02 0.01 -0.04 2.02 1.56 3i26A1 GLN 161 HG2 -1.20 -0.06 -0.10 -0.04 2.40 1.00 3i26A1 GLN 161 HG3 -0.31 0.32 -0.21 -0.04 2.39 2.14 3i26A1 GLN 161 HE21 -0.06 -0.03 -0.01 -0.04 6.97 6.83 3i26A1 GLN 161 HE22 -0.18 0.13 -0.03 -0.04 7.69 7.57 3i26A1 LEU 162 H 0.02 0.10 0.13 -0.55 8.37 8.07 3i26A1 LEU 162 HA 0.08 -0.02 0.34 -0.75 4.35 4.00 3i26A1 LEU 162 HB2 0.08 -0.12 -0.04 -0.04 1.64 1.53 3i26A1 LEU 162 HB3 0.02 0.00 -0.02 -0.04 1.64 1.60 3i26A1 LEU 162 HG 0.02 0.32 -0.15 -0.04 1.64 1.79 3i26A1 LEU 162 HD13 0.23 -0.06 -0.22 -0.04 0.93 0.84 3i26A1 LEU 162 HD23 0.06 0.01 -0.11 -0.04 0.89 0.80 3i26A1 PRO 163 HA -1.41 0.02 0.51 -0.51 4.44 3.05 3i26A1 PRO 163 HB2 -0.25 0.08 -0.15 -0.04 2.28 1.92 3i26A1 PRO 163 HB3 -0.88 0.15 0.06 -0.04 2.02 1.31 3i26A1 PRO 163 HG2 -0.51 -0.03 -0.04 -0.04 2.03 1.41 3i26A1 PRO 163 HG3 -0.97 -0.01 -0.02 -0.04 2.03 0.98 3i26A1 PRO 163 HD2 -0.22 0.04 0.08 -0.04 3.68 3.54 3i26A1 PRO 163 HD3 -0.07 0.08 0.08 -0.04 3.65 3.70 3i26A1 ASP 164 H -0.49 0.28 0.32 -0.55 8.40 7.96 3i26A1 ASP 164 HA -0.11 0.08 0.57 -0.75 4.63 4.41 3i26A1 ASP 164 HB2 -0.10 0.01 0.02 -0.04 2.71 2.60 3i26A1 ASP 164 HB3 -0.05 -0.02 0.02 -0.04 2.70 2.61 3i26A1 ASN 165 H -0.32 0.45 -0.10 -0.55 8.53 8.02 3i26A1 ASN 165 HA -0.18 -0.09 0.54 -0.75 4.76 4.28 3i26A1 ASN 165 HB2 -0.17 -0.04 -0.20 -0.04 2.88 2.43 3i26A1 ASN 165 HB3 -0.24 0.24 0.16 -0.04 2.79 2.91 3i26A1 ASN 165 HD21 -0.17 0.20 0.06 -0.04 7.03 7.08 3i26A1 ASN 165 HD22 -0.25 0.57 0.04 -0.04 7.74 8.06 3i26A1 PRO 166 HA -0.18 -0.10 0.40 -0.51 4.44 4.06 3i26A1 PRO 166 HB2 -0.11 0.10 -0.23 -0.04 2.28 2.00 3i26A1 PRO 166 HB3 -0.05 0.13 -0.09 -0.04 2.02 1.97 3i26A1 PRO 166 HG2 -0.11 0.04 -0.20 -0.04 2.03 1.72 3i26A1 PRO 166 HG3 -0.12 -0.12 -0.16 -0.04 2.03 1.59 3i26A1 PRO 166 HD2 0.08 0.06 0.08 -0.04 3.68 3.86 3i26A1 PRO 166 HD3 0.03 0.04 0.10 -0.04 3.65 3.78 3i26A1 ARG 167 H -0.39 0.40 0.22 -0.55 8.46 8.14 3i26A1 ARG 167 HA -0.19 0.14 0.57 -0.75 4.34 4.11 3i26A1 ARG 167 HB2 -0.47 0.06 0.10 -0.04 1.90 1.55 3i26A1 ARG 167 HB3 -1.04 -0.06 0.08 -0.04 1.80 0.74 3i26A1 ARG 167 HG2 -0.21 -0.03 -0.37 -0.04 1.67 1.01 3i26A1 ARG 167 HG3 -0.16 0.03 -0.01 -0.04 1.67 1.49 3i26A1 ARG 167 HD2 -0.15 0.02 -0.05 -0.04 3.22 3.00 3i26A1 ARG 167 HD3 -0.22 -0.03 -0.13 -0.04 3.22 2.80 3i26A1 LEU 168 H -0.06 0.25 0.12 -0.55 8.37 8.13 3i26A1 LEU 168 HA -0.05 0.32 0.84 -0.75 4.35 4.70 3i26A1 LEU 168 HB2 -0.01 0.03 -0.05 -0.04 1.64 1.57 3i26A1 LEU 168 HB3 0.07 -0.02 0.10 -0.04 1.64 1.74 3i26A1 LEU 168 HG 0.05 -0.04 -0.22 -0.04 1.64 1.39 3i26A1 LEU 168 HD13 0.05 0.02 -0.04 -0.04 0.93 0.92 3i26A1 LEU 168 HD23 0.03 -0.02 -0.09 -0.04 0.89 0.77 3i26A1 ALA 169 H -0.00 0.60 0.28 -0.55 8.40 8.73 3i26A1 ALA 169 HA 0.02 0.10 0.69 -0.75 4.34 4.40 3i26A1 ALA 169 HB3 0.02 -0.00 -0.16 -0.04 1.41 1.23 3i26A1 LEU 170 H 0.00 0.54 0.29 -0.55 8.37 8.65 3i26A1 LEU 170 HA -0.12 0.31 0.99 -0.75 4.35 4.77 3i26A1 LEU 170 HB2 -0.01 -0.01 0.11 -0.04 1.64 1.69 3i26A1 LEU 170 HB3 -0.09 0.09 -0.01 -0.04 1.64 1.60 3i26A1 LEU 170 HG -0.18 0.03 -0.14 -0.04 1.64 1.31 3i26A1 LEU 170 HD13 0.06 -0.02 -0.42 -0.04 0.93 0.51 3i26A1 LEU 170 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.79 3i26A1 LEU 171 H -0.12 0.75 0.35 -0.55 8.37 8.80 3i26A1 LEU 171 HA -0.03 0.26 0.70 -0.75 4.35 4.53 3i26A1 LEU 171 HB2 -0.10 0.02 0.15 -0.04 1.64 1.67 3i26A1 LEU 171 HB3 -0.05 -0.16 0.09 -0.04 1.64 1.48 3i26A1 LEU 171 HG -0.03 0.01 -0.09 -0.04 1.64 1.49 3i26A1 LEU 171 HD13 -0.03 0.00 -0.19 -0.04 0.93 0.67 3i26A1 LEU 171 HD23 -0.00 0.04 -0.07 -0.04 0.89 0.81 3i26A1 SER 172 H -0.03 0.15 0.14 -0.55 8.46 8.18 3i26A1 SER 172 HA -0.03 0.18 0.49 -0.75 4.49 4.37 3i26A1 SER 172 HB2 -0.02 -0.04 0.08 -0.04 3.95 3.93 3i26A1 SER 172 HB3 -0.01 -0.01 0.17 -0.04 3.93 4.04 3i26A1 ASP 173 H -0.06 0.16 -0.27 -0.55 8.40 7.69 3i26A1 ASP 173 HA -0.04 0.17 0.33 -0.75 4.63 4.34 3i26A1 ASP 173 HB2 -0.02 -0.08 0.20 -0.04 2.71 2.77 3i26A1 ASP 173 HB3 -0.02 0.17 -0.02 -0.04 2.70 2.79 3i26A1 THR 174 H -0.03 0.16 0.10 -0.55 8.28 7.96 3i26A1 THR 174 HA -0.08 0.12 0.84 -0.75 4.39 4.51 3i26A1 THR 174 HB -0.03 0.07 0.16 -0.04 4.32 4.49 3i26A1 THR 174 HG23 -0.06 0.01 -0.18 -0.04 1.22 0.94 3i26A1 VAL 175 H -0.03 -0.02 -0.15 -0.55 8.24 7.50 3i26A1 VAL 175 HA -0.01 0.14 0.47 -0.75 4.13 3.98 3i26A1 VAL 175 HB -0.01 -0.06 0.01 -0.04 2.12 2.02 3i26A1 VAL 175 HG13 -0.00 0.09 -0.09 -0.04 0.97 0.93 3i26A1 VAL 175 HG23 -0.01 -0.03 0.02 -0.04 0.95 0.89 3i26A1 PRO 176 HA 0.02 0.12 0.32 -0.51 4.44 4.39 3i26A1 PRO 176 HB2 0.02 -0.07 0.05 -0.04 2.28 2.24 3i26A1 PRO 176 HB3 0.03 0.04 0.15 -0.04 2.02 2.21 3i26A1 PRO 176 HG2 0.02 -0.06 0.12 -0.04 2.03 2.07 3i26A1 PRO 176 HG3 0.03 0.23 0.18 -0.04 2.03 2.42 3i26A1 PRO 176 HD2 0.01 -0.02 0.23 -0.04 3.68 3.86 3i26A1 PRO 176 HD3 0.01 0.27 0.32 -0.04 3.65 4.20 3i26A1 THR 177 H 0.03 0.43 0.33 -0.55 8.28 8.52 3i26A1 THR 177 HA 0.02 0.09 0.79 -0.75 4.39 4.53 3i26A1 THR 177 HB 0.01 -0.04 -0.01 -0.04 4.32 4.24 3i26A1 THR 177 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.04 3i26A1 SER 178 H 0.02 0.21 0.19 -0.55 8.46 8.34 3i26A1 SER 178 HA 0.07 0.36 0.89 -0.75 4.49 5.06 3i26A1 SER 178 HB2 0.03 -0.06 0.03 -0.04 3.95 3.91 3i26A1 SER 178 HB3 0.05 0.03 -0.03 -0.04 3.93 3.94 3i26A1 VAL 179 H 0.07 0.64 0.33 -0.55 8.24 8.73 3i26A1 VAL 179 HA -0.02 0.14 0.80 -0.75 4.13 4.29 3i26A1 VAL 179 HB -0.13 0.07 0.16 -0.04 2.12 2.18 3i26A1 VAL 179 HG13 -0.03 -0.01 -0.08 -0.04 0.97 0.80 3i26A1 VAL 179 HG23 -0.10 0.01 -0.03 -0.04 0.95 0.79 3i26A1 GLN 180 H -0.05 0.15 0.21 -0.55 8.47 8.23 3i26A1 GLN 180 HA -0.05 0.40 1.24 -0.75 4.36 5.19 3i26A1 GLN 180 HB2 -0.05 -0.10 0.16 -0.04 2.15 2.12 3i26A1 GLN 180 HB3 -0.09 0.03 -0.03 -0.04 2.02 1.89 3i26A1 GLN 180 HG2 -0.06 -0.03 -0.08 -0.04 2.40 2.18 3i26A1 GLN 180 HG3 -0.06 0.09 -0.17 -0.04 2.39 2.22 3i26A1 GLN 180 HE21 -0.01 0.07 -0.19 -0.04 6.97 6.80 3i26A1 GLN 180 HE22 -0.01 0.02 -0.25 -0.04 7.69 7.41 3i26A1 PHE 181 H -0.25 0.50 0.35 -0.55 8.34 8.39 3i26A1 PHE 181 HA -0.10 0.20 0.98 -0.75 4.62 4.95 3i26A1 PHE 181 HB2 -0.09 0.12 0.04 -0.04 3.15 3.17 3i26A1 PHE 181 HB3 -0.12 0.01 -0.03 -0.04 3.06 2.88 3i26A1 PHE 181 HD2 -0.13 0.01 -0.21 -0.04 7.28 6.90 3i26A1 PHE 181 HE2 -0.41 0.04 -0.18 -0.04 7.38 6.79 3i26A1 PHE 181 HZ -0.88 -0.03 -0.10 -0.04 7.32 6.28 3i26A1 VAL 182 H 0.09 0.29 0.12 -0.55 8.24 8.19 3i26A1 VAL 182 HA -0.05 0.23 0.99 -0.75 4.13 4.54 3i26A1 VAL 182 HB -0.01 -0.00 0.09 -0.04 2.12 2.16 3i26A1 VAL 182 HG13 -0.03 -0.01 -0.28 -0.04 0.97 0.60 3i26A1 VAL 182 HG23 -0.04 -0.01 -0.16 -0.04 0.95 0.69 3i26A1 LEU 183 H -0.01 0.67 0.24 -0.55 8.37 8.73 3i26A1 LEU 183 HA -0.26 0.16 0.76 -0.75 4.35 4.25 3i26A1 LEU 183 HB2 -0.12 -0.05 0.16 -0.04 1.64 1.58 3i26A1 LEU 183 HB3 -1.07 0.06 -0.09 -0.04 1.64 0.50 3i26A1 LEU 183 HG -0.04 -0.03 -0.17 -0.04 1.64 1.37 3i26A1 LEU 183 HD13 -0.34 0.03 -0.23 -0.04 0.93 0.35 3i26A1 LEU 183 HD23 -0.16 0.01 -0.22 -0.04 0.89 0.48 3i26A1 PRO 184 HA 0.02 0.02 0.33 -0.51 4.44 4.30 3i26A1 PRO 184 HB2 0.04 0.12 0.09 -0.04 2.28 2.48 3i26A1 PRO 184 HB3 0.01 -0.01 0.06 -0.04 2.02 2.04 3i26A1 PRO 184 HG2 0.12 0.03 -0.06 -0.04 2.03 2.08 3i26A1 PRO 184 HG3 0.02 0.04 0.02 -0.04 2.03 2.06 3i26A1 PRO 184 HD2 -0.07 0.08 0.11 -0.04 3.68 3.76 3i26A1 PRO 184 HD3 -0.04 0.27 0.06 -0.04 3.65 3.90 3i26A1 GLY 185 H 0.03 0.07 0.16 -0.55 8.43 8.15 3i26A1 GLY 185 HA2 0.07 0.31 0.61 -0.51 4.01 4.49 3i26A1 GLY 185 HA3 0.03 -0.04 0.35 -0.51 4.01 3.84 3i26A1 SER 186 H 0.03 0.20 -0.17 -0.55 8.46 7.98 3i26A1 SER 186 HA -0.00 0.04 0.55 -0.75 4.49 4.33 3i26A1 SER 186 HB2 -0.00 0.16 -0.13 -0.04 3.95 3.94 3i26A1 SER 186 HB3 0.01 0.04 -0.21 -0.04 3.93 3.73 3i26A1 SER 187 H -0.03 0.80 0.04 -0.55 8.46 8.73 3i26A1 SER 187 HA -0.03 0.06 0.64 -0.75 4.49 4.40 3i26A1 SER 187 HB2 -0.03 0.07 -0.12 -0.04 3.95 3.83 3i26A1 SER 187 HB3 -0.08 0.01 -0.02 -0.04 3.93 3.80 3i26A1 GLY 188 H -0.04 0.13 0.04 -0.55 8.43 8.01 3i26A1 GLY 188 HA2 -0.03 0.04 0.31 -0.51 4.01 3.82 3i26A1 GLY 188 HA3 -0.07 0.02 0.51 -0.51 4.01 3.96 3i26A1 THR 189 H -0.02 0.12 0.18 -0.55 8.28 8.01 3i26A1 THR 189 HA 0.01 0.13 0.46 -0.75 4.39 4.24 3i26A1 THR 189 HB 0.04 0.00 0.10 -0.04 4.32 4.42 3i26A1 THR 189 HG23 0.02 -0.01 -0.01 -0.04 1.22 1.19 3i26A1 THR 190 H -0.03 0.52 -0.20 -0.55 8.28 8.02 3i26A1 THR 190 HA 0.06 0.06 0.57 -0.75 4.39 4.33 3i26A1 THR 190 HB -0.06 0.05 0.01 -0.04 4.32 4.28 3i26A1 THR 190 HG23 0.10 0.03 -0.26 -0.04 1.22 1.05 3i26A1 ILE 191 H 0.03 0.11 0.16 -0.55 8.25 7.99 3i26A1 ILE 191 HA 0.00 0.15 0.75 -0.75 4.18 4.33 3i26A1 ILE 191 HB 0.02 -0.11 0.17 -0.04 1.89 1.93 3i26A1 ILE 191 HG12 0.02 0.01 0.05 -0.04 1.49 1.54 3i26A1 ILE 191 HG13 0.02 -0.02 0.03 -0.04 1.21 1.20 3i26A1 ILE 191 HG23 0.01 0.02 -0.08 -0.04 0.93 0.84 3i26A1 ILE 191 HD13 0.01 0.01 -0.15 -0.04 0.88 0.71 3i26A1 CYS 192 H -0.01 0.50 -0.10 -0.55 8.50 8.33 3i26A1 CYS 192 HA -0.12 0.26 0.79 -0.75 4.58 4.76 3i26A1 CYS 192 HB2 -0.03 0.21 0.03 -0.04 2.97 3.13 3i26A1 CYS 192 HB3 -0.59 0.06 -0.01 -0.04 2.97 2.38 3i26A1 THR 193 H -0.06 0.35 0.25 -0.55 8.28 8.27 3i26A1 THR 193 HA 0.00 0.08 0.73 -0.75 4.39 4.45 3i26A1 THR 193 HB 0.03 -0.02 0.07 -0.04 4.32 4.35 3i26A1 THR 193 HG23 0.01 -0.02 0.02 -0.04 1.22 1.19 3i26A1 LYS 194 H -0.18 0.47 0.15 -0.55 8.42 8.31 3i26A1 LYS 194 HA -0.20 0.15 0.28 -0.75 4.32 3.79 3i26A1 LYS 194 HB2 -1.09 -0.08 0.03 -0.04 1.87 0.68 3i26A1 LYS 194 HB3 -0.35 0.07 -0.08 -0.04 1.79 1.39 3i26A1 LYS 194 HG2 -0.19 -0.04 -0.18 -0.04 1.46 1.00 3i26A1 LYS 194 HG3 -0.28 -0.03 -0.18 -0.04 1.46 0.93 3i26A1 LYS 194 HD2 0.08 -0.02 -0.22 -0.04 1.69 1.48 3i26A1 LYS 194 HD3 -0.03 -0.03 -0.31 -0.04 1.68 1.27 3i26A1 LYS 194 HE2 0.03 -0.01 -0.15 -0.04 2.99 2.82 3i26A1 LYS 194 HE3 0.18 -0.05 -0.09 -0.04 2.99 2.99 3i26A1 HIS 195 H -0.28 0.36 0.22 -0.55 8.41 8.17 3i26A1 HIS 195 HA -0.07 0.34 0.93 -0.75 4.63 5.08 3i26A1 HIS 195 HB2 -0.14 0.11 -0.03 -0.04 3.26 3.16 3i26A1 HIS 195 HB3 -0.08 -0.04 -0.20 -0.04 3.20 2.84 3i26A1 HIS 195 HD2 -0.06 0.02 -0.46 -0.04 6.97 6.42 3i26A1 HIS 195 HE1 -0.03 -0.07 -0.14 -0.04 7.75 7.47 3i26A1 LEU 196 H 0.08 0.50 0.26 -0.55 8.37 8.66 3i26A1 LEU 196 HA 0.05 0.33 0.90 -0.75 4.35 4.87 3i26A1 LEU 196 HB2 0.04 0.04 0.01 -0.04 1.64 1.69 3i26A1 LEU 196 HB3 0.22 -0.12 0.16 -0.04 1.64 1.85 3i26A1 LEU 196 HG 0.11 0.04 -0.19 -0.04 1.64 1.56 3i26A1 LEU 196 HD13 -0.18 0.01 -0.19 -0.04 0.93 0.54 3i26A1 LEU 196 HD23 0.38 -0.01 -0.35 -0.04 0.89 0.87 3i26A1 VAL 197 H 0.08 0.59 0.22 -0.55 8.24 8.58 3i26A1 VAL 197 HA 0.01 0.23 0.87 -0.75 4.13 4.48 3i26A1 VAL 197 HB 0.00 -0.05 -0.06 -0.04 2.12 1.98 3i26A1 VAL 197 HG13 -0.12 0.05 -0.12 -0.04 0.97 0.73 3i26A1 VAL 197 HG23 -0.07 0.03 -0.40 -0.04 0.95 0.47 3i26A1 PRO 198 HA -0.16 0.20 0.79 -0.51 4.44 4.77 3i26A1 PRO 198 HB2 -0.06 0.02 -0.14 -0.04 2.28 2.05 3i26A1 PRO 198 HB3 -0.06 -0.02 -0.06 -0.04 2.02 1.85 3i26A1 PRO 198 HG2 -0.08 -0.06 0.00 -0.04 2.03 1.85 3i26A1 PRO 198 HG3 -0.20 0.11 -0.17 -0.04 2.03 1.74 3i26A1 PRO 198 HD2 -0.07 0.16 0.28 -0.04 3.68 4.02 3i26A1 PRO 198 HD3 -0.02 0.14 0.10 -0.04 3.65 3.83 3i26A1 PHE 199 H -0.12 0.71 0.33 -0.55 8.34 8.71 3i26A1 PHE 199 HA -0.21 0.13 0.66 -0.75 4.62 4.45 3i26A1 PHE 199 HB2 -0.39 0.05 -0.07 -0.04 3.15 2.70 3i26A1 PHE 199 HB3 -0.25 -0.06 0.10 -0.04 3.06 2.81 3i26A1 PHE 199 HD2 -0.87 -0.03 -0.16 -0.04 7.28 6.18 3i26A1 PHE 199 HE2 -0.14 -0.05 -0.30 -0.04 7.38 6.85 3i26A1 PHE 199 HZ -0.07 0.07 -0.14 -0.04 7.32 7.14 3i26A1 CYS 200 H -0.50 0.26 0.06 -0.55 8.50 7.78 3i26A1 CYS 200 HA -0.57 0.30 1.06 -0.75 4.58 4.62 3i26A1 CYS 200 HB2 -0.45 0.03 -0.09 -0.04 2.97 2.42 3i26A1 CYS 200 HB3 -0.80 0.00 0.03 -0.04 2.97 2.16 3i26A1 TYR 201 H -1.01 0.51 0.35 -0.55 8.29 7.59 3i26A1 TYR 201 HA -0.59 0.09 0.46 -0.75 4.56 3.76 3i26A1 TYR 201 HB2 -0.78 0.04 -0.03 -0.04 3.06 2.25 3i26A1 TYR 201 HB3 -0.52 0.15 -0.21 -0.04 2.98 2.37 3i26A1 TYR 201 HD2 -1.00 0.06 -0.55 -0.04 7.15 5.61 3i26A1 TYR 201 HE2 -0.37 -0.03 -0.17 -0.04 6.85 6.25 3i26A1 LEU 202 H -1.84 0.21 0.10 -0.55 8.37 6.29 3i26A1 LEU 202 HA -0.68 0.21 0.86 -0.75 4.35 3.98 3i26A1 LEU 202 HB2 -1.42 0.05 0.12 -0.04 1.64 0.35 3i26A1 LEU 202 HB3 -0.82 0.04 -0.03 -0.04 1.64 0.78 3i26A1 LEU 202 HG -0.73 -0.03 -0.08 -0.04 1.64 0.77 3i26A1 LEU 202 HD13 -1.03 0.02 -0.05 -0.04 0.93 -0.18 3i26A1 LEU 202 HD23 -0.55 -0.01 -0.17 -0.04 0.89 0.12 3i26A1 ASN 203 H -0.42 0.40 0.24 -0.55 8.53 8.21 3i26A1 ASN 203 HA -0.16 0.17 0.56 -0.75 4.76 4.58 3i26A1 ASN 203 HB2 -0.07 -0.08 0.15 -0.04 2.88 2.83 3i26A1 ASN 203 HB3 -0.29 0.05 0.01 -0.04 2.79 2.51 3i26A1 ASN 203 HD21 -0.60 -0.02 -0.03 -0.04 7.03 6.34 3i26A1 ASN 203 HD22 -0.27 0.03 -0.00 -0.04 7.74 7.46 3i26A1 HIS 204 H 0.14 0.04 0.15 -0.55 8.41 8.19 3i26A1 HIS 204 HA 0.07 -0.07 0.39 -0.75 4.63 4.26 3i26A1 HIS 204 HB2 0.01 0.18 -0.02 -0.04 3.26 3.39 3i26A1 HIS 204 HB3 -0.02 0.07 0.15 -0.04 3.20 3.35 3i26A1 HIS 204 HD2 0.05 0.01 0.06 -0.04 6.97 7.05 3i26A1 HIS 204 HE1 0.02 -0.00 -0.08 -0.04 7.75 7.64 3i26A1 GLY 205 H 0.18 -0.11 0.06 -0.55 8.43 8.01 3i26A1 GLY 205 HA2 0.09 -0.25 0.28 -0.51 4.01 3.61 3i26A1 GLY 205 HA3 0.11 0.19 0.25 -0.51 4.01 4.05 3i26A1 CYS 206 H 0.09 0.46 -0.07 -0.55 8.50 8.42 3i26A1 CYS 206 HA 0.11 0.12 0.32 -0.75 4.58 4.37 3i26A1 CYS 206 HB2 0.11 -0.03 -0.65 -0.04 2.97 2.36 3i26A1 CYS 206 HB3 0.06 -0.04 -0.30 -0.04 2.97 2.66 3i26A1 PHE 207 H 0.27 0.67 0.19 -0.55 8.34 8.91 3i26A1 PHE 207 HA 0.10 0.14 0.78 -0.75 4.62 4.88 3i26A1 PHE 207 HB2 -0.42 0.09 -0.06 -0.04 3.15 2.72 3i26A1 PHE 207 HB3 -0.02 -0.01 0.10 -0.04 3.06 3.09 3i26A1 PHE 207 HD2 -0.55 0.01 -0.33 -0.04 7.28 6.37 3i26A1 PHE 207 HE2 -0.58 -0.05 -0.10 -0.04 7.38 6.61 3i26A1 PHE 207 HZ 0.16 -0.04 -0.06 -0.04 7.32 7.34 3i26A1 THR 208 H -0.17 0.17 0.08 -0.55 8.28 7.81 3i26A1 THR 208 HA 0.13 0.26 0.63 -0.75 4.39 4.65 3i26A1 THR 208 HB -0.03 -0.01 0.09 -0.04 4.32 4.33 3i26A1 THR 208 HG23 0.05 -0.03 -0.30 -0.04 1.22 0.89 3i26A1 THR 209 H 0.17 0.69 0.38 -0.55 8.28 8.98 3i26A1 THR 209 HA 0.15 0.00 0.46 -0.75 4.39 4.26 3i26A1 THR 209 HB 0.51 0.13 -0.19 -0.04 4.32 4.73 3i26A1 THR 209 HG23 0.16 0.04 -0.15 -0.04 1.22 1.22 3i26A1 GLY 210 H 0.07 0.16 0.12 -0.55 8.43 8.23 3i26A1 GLY 210 HA2 0.03 0.02 0.33 -0.51 4.01 3.88 3i26A1 GLY 210 HA3 0.01 0.11 0.36 -0.51 4.01 3.98 3i26A1 GLY 211 H 0.05 0.01 -0.35 -0.55 8.43 7.59 3i26A1 GLY 211 HA2 0.03 -0.03 0.21 -0.51 4.01 3.71 3i26A1 GLY 211 HA3 0.03 0.12 0.26 -0.51 4.01 3.91 3i26A1 SER 212 H 0.06 0.43 -0.20 -0.55 8.46 8.21 3i26A1 SER 212 HA 0.04 0.06 0.30 -0.75 4.49 4.14 3i26A1 SER 212 HB2 0.04 -0.05 0.06 -0.04 3.95 3.97 3i26A1 SER 212 HB3 0.03 0.10 -0.09 -0.04 3.93 3.94 3i26A1 CYS 213 H 0.06 0.17 0.03 -0.55 8.50 8.21 3i26A1 CYS 213 HA 0.12 0.09 0.37 -0.75 4.58 4.40 3i26A1 CYS 213 HB2 0.05 -0.04 -0.01 -0.04 2.97 2.92 3i26A1 CYS 213 HB3 0.06 0.01 0.08 -0.04 2.97 3.08 3i26A1 LEU 214 H 0.23 0.59 0.14 -0.55 8.37 8.78 3i26A1 LEU 214 HA 0.10 0.11 0.54 -0.75 4.35 4.34 3i26A1 LEU 214 HB2 0.34 0.04 0.13 -0.04 1.64 2.11 3i26A1 LEU 214 HB3 0.13 0.12 0.02 -0.04 1.64 1.86 3i26A1 LEU 214 HG 0.10 0.07 -0.12 -0.04 1.64 1.64 3i26A1 LEU 214 HD13 -0.09 -0.01 -0.05 -0.04 0.93 0.74 3i26A1 LEU 214 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.76 3i26A1 PRO 215 HA -0.07 0.15 0.62 -0.51 4.44 4.64 3i26A1 PRO 215 HB2 -0.05 0.02 -0.02 -0.04 2.28 2.18 3i26A1 PRO 215 HB3 -0.42 -0.07 -0.08 -0.04 2.02 1.42 3i26A1 PRO 215 HG2 0.10 0.04 0.07 -0.04 2.03 2.20 3i26A1 PRO 215 HG3 0.04 0.01 0.10 -0.04 2.03 2.14 3i26A1 PRO 215 HD2 0.06 0.12 0.20 -0.04 3.68 4.03 3i26A1 PRO 215 HD3 0.07 0.19 0.25 -0.04 3.65 4.12 3i26A1 PHE 216 H -0.05 0.53 0.25 -0.55 8.34 8.52 3i26A1 PHE 216 HA -0.10 0.14 0.85 -0.75 4.62 4.76 3i26A1 PHE 216 HB2 -0.33 0.11 0.12 -0.04 3.15 3.01 3i26A1 PHE 216 HB3 -0.04 -0.06 0.21 -0.04 3.06 3.13 3i26A1 PHE 216 HD2 -0.74 -0.00 -0.13 -0.04 7.28 6.37 3i26A1 PHE 216 HE2 -0.62 0.03 -0.01 -0.04 7.38 6.74 3i26A1 PHE 216 HZ -0.37 0.04 -0.03 -0.04 7.32 6.92 3i26A1 GLY 217 H -0.10 0.34 0.04 -0.55 8.43 8.16 3i26A1 GLY 217 HA2 0.12 0.39 1.01 -0.51 4.01 5.01 3i26A1 GLY 217 HA3 0.15 -0.08 0.37 -0.51 4.01 3.95 3i26A1 VAL 218 H 0.21 0.47 0.34 -0.55 8.24 8.72 3i26A1 VAL 218 HA 0.13 0.33 1.03 -0.75 4.13 4.86 3i26A1 VAL 218 HB 0.11 0.09 0.19 -0.04 2.12 2.47 3i26A1 VAL 218 HG13 -0.09 -0.01 -0.16 -0.04 0.97 0.66 3i26A1 VAL 218 HG23 0.06 -0.01 -0.05 -0.04 0.95 0.91 3i26A1 SER 219 H 0.24 0.59 0.43 -0.55 8.46 9.18 3i26A1 SER 219 HA 0.11 0.18 0.92 -0.75 4.49 4.94 3i26A1 SER 219 HB2 -0.19 0.07 -0.03 -0.04 3.95 3.76 3i26A1 SER 219 HB3 0.02 -0.05 -0.13 -0.04 3.93 3.73 3i26A1 TYR 220 H 0.00 0.63 0.40 -0.55 8.29 8.77 3i26A1 TYR 220 HA 0.31 0.36 1.06 -0.75 4.56 5.54 3i26A1 TYR 220 HB2 0.30 -0.07 0.16 -0.04 3.06 3.41 3i26A1 TYR 220 HB3 0.27 0.01 0.01 -0.04 2.98 3.22 3i26A1 TYR 220 HD2 0.22 0.07 -0.08 -0.04 7.15 7.31 3i26A1 TYR 220 HE2 0.05 0.14 -0.19 -0.04 6.85 6.81 3i26A1 VAL 221 H 0.33 0.59 0.32 -0.55 8.24 8.94 3i26A1 VAL 221 HA 0.39 0.29 0.98 -0.75 4.13 5.03 3i26A1 VAL 221 HB 0.19 -0.08 0.05 -0.04 2.12 2.24 3i26A1 VAL 221 HG13 0.22 0.01 -0.00 -0.04 0.97 1.15 3i26A1 VAL 221 HG23 0.23 -0.00 -0.33 -0.04 0.95 0.81 3i26A1 SER 222 H 0.33 0.63 0.36 -0.55 8.46 9.24 3i26A1 SER 222 HA -0.01 0.14 0.51 -0.75 4.49 4.38 3i26A1 SER 222 HB2 -0.25 0.00 0.27 -0.04 3.95 3.94 3i26A1 SER 222 HB3 -0.42 0.12 0.06 -0.04 3.93 3.65 3i26A1 ASP 223 H -0.04 0.19 0.17 -0.55 8.40 8.17 3i26A1 ASP 223 HA 0.03 0.10 0.48 -0.75 4.63 4.49 3i26A1 ASP 223 HB2 -0.02 -0.00 0.08 -0.04 2.71 2.74 3i26A1 ASP 223 HB3 0.00 0.03 0.06 -0.04 2.70 2.75 3i26A1 SER 224 H 0.06 0.01 -0.30 -0.55 8.46 7.69 3i26A1 SER 224 HA 0.08 0.22 0.84 -0.75 4.49 4.88 3i26A1 SER 224 HB2 0.10 0.03 0.16 -0.04 3.95 4.20 3i26A1 SER 224 HB3 0.05 -0.01 -0.03 -0.04 3.93 3.90 3i26A1 PHE 225 H 0.22 0.43 -0.18 -0.55 8.34 8.26 3i26A1 PHE 225 HA 0.15 0.18 0.89 -0.75 4.62 5.09 3i26A1 PHE 225 HB2 0.23 0.06 -0.37 -0.04 3.15 3.03 3i26A1 PHE 225 HB3 0.29 -0.15 -0.07 -0.04 3.06 3.09 3i26A1 PHE 225 HD2 0.21 -0.01 -0.25 -0.04 7.28 7.19 3i26A1 PHE 225 HE2 0.13 0.06 -0.05 -0.04 7.38 7.48 3i26A1 PHE 225 HZ -0.00 -0.02 -0.11 -0.04 7.32 7.14 3i26A1 TYR 226 H -0.41 0.28 0.18 -0.55 8.29 7.80 3i26A1 TYR 226 HA 0.04 0.26 0.68 -0.75 4.56 4.79 3i26A1 TYR 226 HB2 -0.03 0.05 0.04 -0.04 3.06 3.08 3i26A1 TYR 226 HB3 -0.13 -0.03 0.08 -0.04 2.98 2.86 3i26A1 TYR 226 HD2 -0.08 0.01 -0.12 -0.04 7.15 6.91 3i26A1 TYR 226 HE2 -0.09 -0.01 -0.12 -0.04 6.85 6.58 3i26A1 TYR 227 H -0.45 0.65 0.31 -0.55 8.29 8.25 3i26A1 TYR 227 HA -0.52 0.09 0.50 -0.75 4.56 3.87 3i26A1 TYR 227 HB2 -0.43 0.04 -0.04 -0.04 3.06 2.58 3i26A1 TYR 227 HB3 -0.55 -0.03 0.09 -0.04 2.98 2.45 3i26A1 TYR 227 HD2 -0.92 0.03 -0.06 -0.04 7.15 6.16 3i26A1 TYR 227 HE2 -0.07 -0.01 -0.04 -0.04 6.85 6.69 3i26A1 GLY 228 H -0.81 0.24 0.17 -0.55 8.43 7.48 3i26A1 GLY 228 HA2 -0.25 0.24 1.01 -0.51 4.01 4.51 3i26A1 GLY 228 HA3 -0.26 -0.01 0.25 -0.51 4.01 3.48 3i26A1 TYR 229 H 0.21 0.77 0.38 -0.55 8.29 9.10 3i26A1 TYR 229 HA -0.15 0.09 0.72 -0.75 4.56 4.46 3i26A1 TYR 229 HB2 -0.61 0.04 -0.09 -0.04 3.06 2.35 3i26A1 TYR 229 HB3 -0.33 0.01 0.03 -0.04 2.98 2.65 3i26A1 TYR 229 HD2 -0.32 -0.00 -0.13 -0.04 7.15 6.66 3i26A1 TYR 229 HE2 -0.10 0.05 -0.04 -0.04 6.85 6.73 3i26A1 TYR 230 H -0.57 0.23 0.16 -0.55 8.29 7.56 3i26A1 TYR 230 HA -0.21 0.32 0.81 -0.75 4.56 4.72 3i26A1 TYR 230 HB2 -0.09 0.04 -0.08 -0.04 3.06 2.90 3i26A1 TYR 230 HB3 -0.17 -0.04 0.04 -0.04 2.98 2.78 3i26A1 TYR 230 HD2 -0.06 -0.03 -0.19 -0.04 7.15 6.84 3i26A1 TYR 230 HE2 -0.01 -0.01 -0.09 -0.04 6.85 6.70 3i26A1 ASP 231 H -0.56 0.58 0.15 -0.55 8.40 8.03 3i26A1 ASP 231 HA -0.13 0.04 0.59 -0.75 4.63 4.37 3i26A1 ASP 231 HB2 -0.29 0.06 -0.14 -0.04 2.71 2.29 3i26A1 ASP 231 HB3 0.01 0.16 0.06 -0.04 2.70 2.89 3i26A1 ALA 232 H -0.02 0.15 0.12 -0.55 8.40 8.10 3i26A1 ALA 232 HA -0.06 0.21 0.80 -0.75 4.34 4.54 3i26A1 ALA 232 HB3 0.07 0.02 0.05 -0.04 1.41 1.51 3i26A1 THR 233 H 0.02 -0.02 0.01 -0.55 8.28 7.75 3i26A1 THR 233 HA 0.04 0.18 0.28 -0.75 4.39 4.14 3i26A1 THR 233 HB 0.03 0.07 0.08 -0.04 4.32 4.46 3i26A1 THR 233 HG23 0.04 -0.01 0.06 -0.04 1.22 1.26 3i26A1 PRO 234 HA 0.03 0.14 0.30 -0.51 4.44 4.40 3i26A1 PRO 234 HB2 0.01 0.01 0.08 -0.04 2.28 2.35 3i26A1 PRO 234 HB3 0.02 0.05 0.08 -0.04 2.02 2.13 3i26A1 PRO 234 HG2 0.02 0.02 0.08 -0.04 2.03 2.11 3i26A1 PRO 234 HG3 0.03 0.08 0.08 -0.04 2.03 2.17 3i26A1 PRO 234 HD2 0.02 0.07 0.17 -0.04 3.68 3.91 3i26A1 PRO 234 HD3 0.03 0.17 0.21 -0.04 3.65 4.03 3i26A1 THR 239 HA -0.01 -0.09 0.24 -0.75 4.39 3.77 3i26A1 THR 239 HB -0.00 -0.02 0.02 -0.04 4.32 4.28 3i26A1 THR 239 HG23 -0.01 -0.01 0.03 -0.04 1.22 1.18 3i26A1 GLU 240 H -0.02 0.06 0.08 -0.55 8.60 8.18 3i26A1 GLU 240 HA -0.10 0.19 0.63 -0.75 4.29 4.25 3i26A1 GLU 240 HB2 -0.04 -0.01 0.10 -0.04 2.09 2.10 3i26A1 GLU 240 HB3 -0.04 -0.08 0.16 -0.04 1.99 1.99 3i26A1 GLU 240 HG2 -0.22 -0.04 -0.24 -0.04 2.34 1.81 3i26A1 GLU 240 HG3 -0.15 0.18 0.03 -0.04 2.34 2.36 3i26A1 SER 241 H -0.22 0.30 0.12 -0.55 8.46 8.11 3i26A1 SER 241 HA 0.00 0.11 0.90 -0.75 4.49 4.75 3i26A1 SER 241 HB2 -0.02 0.04 -0.22 -0.04 3.95 3.71 3i26A1 SER 241 HB3 -0.05 0.01 -0.01 -0.04 3.93 3.84 3i26A1 HIS 242 H 0.24 0.15 0.20 -0.55 8.41 8.46 3i26A1 HIS 242 HA 0.07 0.30 0.62 -0.75 4.63 4.87 3i26A1 HIS 242 HB2 -0.20 -0.18 -0.02 -0.04 3.26 2.82 3i26A1 HIS 242 HB3 -0.26 0.00 -0.02 -0.04 3.20 2.87 3i26A1 HIS 242 HD2 -0.21 -0.10 -0.19 -0.04 6.97 6.43 3i26A1 HIS 242 HE1 0.01 0.38 -0.28 -0.04 7.75 7.81 3i26A1 ASP 243 H -0.10 0.25 0.07 -0.55 8.40 8.06 3i26A1 ASP 243 HA 0.17 -0.14 1.01 -0.75 4.63 4.92 3i26A1 ASP 243 HB2 -0.26 0.01 0.04 -0.04 2.71 2.46 3i26A1 ASP 243 HB3 -0.09 0.11 -0.11 -0.04 2.70 2.57 3i26A1 TYR 244 H 0.28 -0.10 0.18 -0.55 8.29 8.10 3i26A1 TYR 244 HA -0.30 0.31 0.81 -0.75 4.56 4.63 3i26A1 TYR 244 HB2 0.28 -0.12 0.13 -0.04 3.06 3.30 3i26A1 TYR 244 HB3 0.20 -0.09 0.15 -0.04 2.98 3.20 3i26A1 TYR 244 HD2 -0.08 -0.05 -0.26 -0.04 7.15 6.72 3i26A1 TYR 244 HE2 -0.06 0.05 -0.15 -0.04 6.85 6.65 3i26A1 VAL 245 H -0.83 0.68 0.37 -0.55 8.24 7.91 3i26A1 VAL 245 HA -0.41 0.11 0.80 -0.75 4.13 3.86 3i26A1 VAL 245 HB -1.42 0.02 0.03 -0.04 2.12 0.71 3i26A1 VAL 245 HG13 -0.32 0.01 -0.08 -0.04 0.97 0.55 3i26A1 VAL 245 HG23 -0.44 0.03 -0.19 -0.04 0.95 0.31 3i26A1 CYS 246 H -0.32 0.20 0.18 -0.55 8.50 8.01 3i26A1 CYS 246 HA -0.39 0.36 1.01 -0.75 4.58 4.80 3i26A1 CYS 246 HB2 -0.24 -0.08 -0.07 -0.04 2.97 2.54 3i26A1 CYS 246 HB3 -0.52 0.09 -0.10 -0.04 2.97 2.40 3i26A1 ASP 247 H -0.17 0.79 0.35 -0.55 8.40 8.83 3i26A1 ASP 247 HA -0.10 0.12 0.73 -0.75 4.63 4.62 3i26A1 ASP 247 HB2 -0.02 0.02 0.03 -0.04 2.71 2.70 3i26A1 ASP 247 HB3 -0.07 0.03 0.02 -0.04 2.70 2.63 3i26A1 TYR 248 H 0.07 0.22 0.06 -0.55 8.29 8.09 3i26A1 TYR 248 HA 0.04 0.18 0.73 -0.75 4.56 4.76 3i26A1 TYR 248 HB2 0.02 0.03 0.03 -0.04 3.06 3.10 3i26A1 TYR 248 HB3 0.07 0.03 -0.10 -0.04 2.98 2.95 3i26A1 TYR 248 HD2 0.09 0.03 -0.23 -0.04 7.15 6.99 3i26A1 TYR 248 HE2 0.00 0.03 -0.13 -0.04 6.85 6.71 3i26A1 LEU 249 H 0.06 0.73 0.26 -0.55 8.37 8.87 3i26A1 LEU 249 HA 0.02 0.08 0.61 -0.75 4.35 4.31 3i26A1 LEU 249 HB2 0.05 0.06 -0.00 -0.04 1.64 1.70 3i26A1 LEU 249 HB3 0.10 0.08 -0.09 -0.04 1.64 1.69 3i26A1 LEU 249 HG -0.18 0.02 -0.20 -0.04 1.64 1.23 3i26A1 LEU 249 HD13 -0.16 -0.00 -0.12 -0.04 0.93 0.61 3i26A1 LEU 249 HD23 -0.80 -0.00 -0.19 -0.04 0.89 -0.14 3i26A1 PHE 250 H 0.24 0.12 0.19 -0.55 8.34 8.33 3i26A1 PHE 250 HA 0.04 0.20 0.75 -0.75 4.62 4.86 3i26A1 PHE 250 HB2 0.02 0.01 0.10 -0.04 3.15 3.25 3i26A1 PHE 250 HB3 0.07 -0.05 0.19 -0.04 3.06 3.23 3i26A1 PHE 250 HD2 0.06 -0.02 -0.21 -0.04 7.28 7.06 3i26A1 PHE 250 HE2 0.05 0.01 -0.09 -0.04 7.38 7.30 3i26A1 PHE 250 HZ 0.04 0.04 -0.07 -0.04 7.32 7.29 3i26A1 MET 251 H -0.25 0.65 0.29 -0.55 8.47 8.62 3i26A1 MET 251 HA 0.01 0.10 0.79 -0.75 4.52 4.65 3i26A1 MET 251 HB2 -0.23 -0.00 -0.09 -0.04 2.15 1.78 3i26A1 MET 251 HB3 -0.52 0.05 -0.13 -0.04 2.03 1.39 3i26A1 MET 251 HG2 -0.59 0.03 -0.19 -0.04 2.63 1.83 3i26A1 MET 251 HG3 -0.10 -0.04 -0.65 -0.04 2.56 1.73 3i26A1 MET 251 HE3 -1.33 -0.01 -0.17 -0.04 2.10 0.55 3i26A1 GLU 252 H 0.13 0.07 0.05 -0.55 8.60 8.30 3i26A1 GLU 252 HA 0.02 0.18 0.46 -0.75 4.29 4.19 3i26A1 GLU 252 HB2 0.14 -0.08 0.04 -0.04 2.09 2.15 3i26A1 GLU 252 HB3 0.10 0.12 0.09 -0.04 1.99 2.25 3i26A1 GLU 252 HG2 0.22 0.13 0.05 -0.04 2.34 2.70 3i26A1 GLU 252 HG3 0.34 -0.10 0.00 -0.04 2.34 2.54 3i26A1 PRO 253 HA 0.10 0.07 0.36 -0.51 4.44 4.46 3i26A1 PRO 253 HB2 0.07 -0.14 -0.15 -0.04 2.28 2.02 3i26A1 PRO 253 HB3 0.19 0.27 -0.16 -0.04 2.02 2.29 3i26A1 PRO 253 HG2 0.05 -0.11 0.07 -0.04 2.03 2.00 3i26A1 PRO 253 HG3 0.05 0.26 0.18 -0.04 2.03 2.48 3i26A1 PRO 253 HD2 0.07 0.07 0.17 -0.04 3.68 3.95 3i26A1 PRO 253 HD3 0.07 0.11 -0.32 -0.04 3.65 3.48 3i26A1 GLY 254 H 0.02 0.55 0.32 -0.55 8.43 8.77 3i26A1 GLY 254 HA2 -0.09 -0.06 0.26 -0.51 4.01 3.61 3i26A1 GLY 254 HA3 -0.20 0.12 0.62 -0.51 4.01 4.04 3i26A1 THR 255 H -0.26 0.11 0.18 -0.55 8.28 7.77 3i26A1 THR 255 HA -0.19 0.30 1.07 -0.75 4.39 4.81 3i26A1 THR 255 HB -0.17 -0.06 0.12 -0.04 4.32 4.16 3i26A1 THR 255 HG23 -0.14 0.01 -0.14 -0.04 1.22 0.91 3i26A1 TYR 256 H -0.43 0.67 0.38 -0.55 8.29 8.36 3i26A1 TYR 256 HA -0.27 0.16 0.97 -0.75 4.56 4.67 3i26A1 TYR 256 HB2 -2.02 -0.00 -0.03 -0.04 3.06 0.97 3i26A1 TYR 256 HB3 -0.52 0.03 -0.06 -0.04 2.98 2.39 3i26A1 TYR 256 HD2 -0.33 0.00 -0.33 -0.04 7.15 6.46 3i26A1 TYR 256 HE2 -0.34 0.04 -0.22 -0.04 6.85 6.29 3i26A1 ASN 257 H 0.01 0.74 0.42 -0.55 8.53 9.16 3i26A1 ASN 257 HA 0.01 0.24 1.01 -0.75 4.76 5.27 3i26A1 ASN 257 HB2 0.10 0.02 0.19 -0.04 2.88 3.15 3i26A1 ASN 257 HB3 0.11 -0.01 -0.11 -0.04 2.79 2.74 3i26A1 ASN 257 HD21 0.01 -0.03 -0.07 -0.04 7.03 6.90 3i26A1 ASN 257 HD22 0.05 -0.01 -0.05 -0.04 7.74 7.69 3i26A1 ALA 258 H 0.22 0.75 0.39 -0.55 8.40 9.21 3i26A1 ALA 258 HA 0.48 0.27 1.04 -0.75 4.34 5.37 3i26A1 ALA 258 HB3 0.32 0.04 0.23 -0.04 1.41 1.96 3i26A1 SER 259 H 0.28 0.66 0.29 -0.55 8.46 9.14 3i26A1 SER 259 HA 0.12 0.26 1.12 -0.75 4.49 5.23 3i26A1 SER 259 HB2 0.17 -0.05 0.00 -0.04 3.95 4.04 3i26A1 SER 259 HB3 0.12 0.02 -0.02 -0.04 3.93 4.01 3i26A1 THR 260 H 0.08 0.65 0.45 -0.55 8.28 8.91 3i26A1 THR 260 HA 0.08 0.27 1.00 -0.75 4.39 4.98 3i26A1 THR 260 HB 0.03 0.07 0.12 -0.04 4.32 4.51 3i26A1 THR 260 HG23 0.01 -0.01 -0.04 -0.04 1.22 1.14 3i26A1 VAL 261 H 0.08 0.56 0.26 -0.55 8.24 8.60 3i26A1 VAL 261 HA 0.07 0.06 0.74 -0.75 4.13 4.25 3i26A1 VAL 261 HB 0.16 -0.02 0.15 -0.04 2.12 2.37 3i26A1 VAL 261 HG13 0.23 -0.01 -0.02 -0.04 0.97 1.13 3i26A1 VAL 261 HG23 0.12 0.04 -0.07 -0.04 0.95 0.99 3i26A1 GLY 262 H -0.00 0.08 -0.23 -0.55 8.43 7.74 3i26A1 GLY 262 HA2 -0.04 0.07 -0.19 -0.51 4.01 3.34 3i26A1 GLY 262 HA3 -0.03 0.31 0.57 -0.51 4.01 4.34 3i26A1 LYS 263 H -0.13 0.16 0.00 -0.55 8.42 7.90 3i26A1 LYS 263 HA -0.26 0.11 0.48 -0.75 4.32 3.90 3i26A1 LYS 263 HB2 -0.35 -0.02 -0.09 -0.04 1.87 1.37 3i26A1 LYS 263 HB3 -0.79 0.21 0.22 -0.04 1.79 1.39 3i26A1 LYS 263 HG2 -0.87 0.01 -0.05 -0.04 1.46 0.51 3i26A1 LYS 263 HG3 -1.49 -0.03 -0.18 -0.04 1.46 -0.28 3i26A1 LYS 263 HD2 -0.28 -0.08 -0.07 -0.04 1.69 1.21 3i26A1 LYS 263 HD3 -0.30 0.01 0.09 -0.04 1.68 1.43 3i26A1 LYS 263 HE2 -0.19 0.10 -0.12 -0.04 2.99 2.74 3i26A1 LYS 263 HE3 -0.16 -0.03 -0.14 -0.04 2.99 2.62 3i26A1 PHE 264 H -0.41 0.48 0.22 -0.55 8.34 8.07 3i26A1 PHE 264 HA -0.23 0.19 0.62 -0.75 4.62 4.45 3i26A1 PHE 264 HB2 -0.85 -0.05 0.12 -0.04 3.15 2.33 3i26A1 PHE 264 HB3 -0.73 -0.01 0.01 -0.04 3.06 2.29 3i26A1 PHE 264 HD2 -0.42 0.06 0.10 -0.04 7.28 6.97 3i26A1 PHE 264 HE2 -0.32 0.04 -0.11 -0.04 7.38 6.95 3i26A1 PHE 264 HZ 0.12 0.08 -0.04 -0.04 7.32 7.44 3i26A1 LEU 265 H -0.01 0.74 0.38 -0.55 8.37 8.93 3i26A1 LEU 265 HA 0.04 0.15 0.84 -0.75 4.35 4.63 3i26A1 LEU 265 HB2 0.03 -0.02 -0.21 -0.04 1.64 1.40 3i26A1 LEU 265 HB3 0.08 -0.05 -0.05 -0.04 1.64 1.57 3i26A1 LEU 265 HG 0.27 0.02 -0.31 -0.04 1.64 1.58 3i26A1 LEU 265 HD13 0.10 0.00 -0.14 -0.04 0.93 0.85 3i26A1 LEU 265 HD23 0.15 -0.02 -0.17 -0.04 0.89 0.82 3i26A1 VAL 266 H 0.10 0.24 0.09 -0.55 8.24 8.13 3i26A1 VAL 266 HA -0.06 0.55 0.94 -0.75 4.13 4.81 3i26A1 VAL 266 HB -0.01 -0.07 0.11 -0.04 2.12 2.10 3i26A1 VAL 266 HG13 -0.12 0.05 -0.14 -0.04 0.97 0.72 3i26A1 VAL 266 HG23 -0.05 0.01 -0.15 -0.04 0.95 0.72 3i26A1 TYR 267 H -0.28 0.44 0.17 -0.55 8.29 8.06 3i26A1 TYR 267 HA -0.18 0.15 0.63 -0.75 4.56 4.41 3i26A1 TYR 267 HB2 -0.31 0.06 0.07 -0.04 3.06 2.84 3i26A1 TYR 267 HB3 -0.01 0.00 -0.08 -0.04 2.98 2.85 3i26A1 TYR 267 HD2 -0.08 0.11 -0.29 -0.04 7.15 6.85 3i26A1 TYR 267 HE2 -0.03 0.00 -0.12 -0.04 6.85 6.67 3i26A1 PRO 268 HA -0.22 -0.05 0.73 -0.51 4.44 4.38 3i26A1 PRO 268 HB2 -0.29 0.08 -0.03 -0.04 2.28 2.00 3i26A1 PRO 268 HB3 -0.27 0.14 0.12 -0.04 2.02 1.98 3i26A1 PRO 268 HG2 -1.00 0.02 -0.02 -0.04 2.03 0.99 3i26A1 PRO 268 HG3 -1.08 0.05 -0.02 -0.04 2.03 0.94 3i26A1 PRO 268 HD2 -1.75 0.06 0.17 -0.04 3.68 2.12 3i26A1 PRO 268 HD3 -1.38 0.15 0.15 -0.04 3.65 2.53 3i26A1 THR 269 H -0.17 0.06 0.29 -0.55 8.28 7.91 3i26A1 THR 269 HA -0.04 0.27 0.94 -0.75 4.39 4.80 3i26A1 THR 269 HB -0.05 -0.02 0.12 -0.04 4.32 4.33 3i26A1 THR 269 HG23 -0.15 -0.02 -0.05 -0.04 1.22 0.96 3i26A1 LYS 270 H -0.15 0.16 0.20 -0.55 8.42 8.08 3i26A1 LYS 270 HA -0.10 0.17 0.79 -0.75 4.32 4.42 3i26A1 LYS 270 HB2 -0.18 0.07 0.01 -0.04 1.87 1.73 3i26A1 LYS 270 HB3 -0.17 0.06 0.09 -0.04 1.79 1.73 3i26A1 LYS 270 HG2 -0.10 0.04 -0.07 -0.04 1.46 1.29 3i26A1 LYS 270 HG3 -0.12 -0.18 -0.52 -0.04 1.46 0.60 3i26A1 LYS 270 HD2 -0.08 -0.14 -0.31 -0.04 1.69 1.12 3i26A1 LYS 270 HD3 -0.14 0.26 -0.21 -0.04 1.68 1.55 3i26A1 LYS 270 HE2 -0.13 -0.01 -0.15 -0.04 2.99 2.66 3i26A1 LYS 270 HE3 -0.08 -0.11 -0.17 -0.04 2.99 2.59 3i26A1 SER 271 H -0.11 0.48 0.31 -0.55 8.46 8.60 3i26A1 SER 271 HA -0.05 0.23 0.67 -0.75 4.49 4.58 3i26A1 SER 271 HB2 0.10 0.07 -0.07 -0.04 3.95 4.00 3i26A1 SER 271 HB3 -0.05 -0.01 -0.24 -0.04 3.93 3.59 3i26A1 TYR 272 H 0.16 0.48 0.25 -0.55 8.29 8.63 3i26A1 TYR 272 HA 0.03 0.19 0.88 -0.75 4.56 4.91 3i26A1 TYR 272 HB2 0.03 -0.05 0.17 -0.04 3.06 3.17 3i26A1 TYR 272 HB3 0.01 0.04 -0.11 -0.04 2.98 2.88 3i26A1 TYR 272 HD2 0.11 0.01 -0.19 -0.04 7.15 7.04 3i26A1 TYR 272 HE2 0.06 -0.00 -0.11 -0.04 6.85 6.76 3i26A1 CYS 273 H 0.05 0.73 0.22 -0.55 8.50 8.95 3i26A1 CYS 273 HA -0.37 0.20 0.75 -0.75 4.58 4.40 3i26A1 CYS 273 HB2 -0.07 -0.00 -0.04 -0.04 2.97 2.82 3i26A1 CYS 273 HB3 -0.02 0.10 0.12 -0.04 2.97 3.13 3i26A1 MET 274 H -0.22 0.67 0.36 -0.55 8.47 8.73 3i26A1 MET 274 HA 0.03 0.26 0.90 -0.75 4.52 4.95 3i26A1 MET 274 HB2 -0.06 -0.05 -0.02 -0.04 2.15 1.97 3i26A1 MET 274 HB3 0.01 0.11 0.09 -0.04 2.03 2.20 3i26A1 MET 274 HG2 0.04 -0.02 -0.20 -0.04 2.63 2.42 3i26A1 MET 274 HG3 -0.01 -0.01 -0.39 -0.04 2.56 2.11 3i26A1 MET 274 HE3 -0.09 -0.02 -0.11 -0.04 2.10 1.84 3i26A1 ASP 275 H 0.03 0.14 0.26 -0.55 8.40 8.28 3i26A1 ASP 275 HA -0.01 -0.02 0.92 -0.75 4.63 4.77 3i26A1 ASP 275 HB2 0.02 -0.07 0.28 -0.04 2.71 2.90 3i26A1 ASP 275 HB3 0.02 0.24 0.24 -0.04 2.70 3.16 3i26A1 THR 276 H 0.03 0.14 0.22 -0.55 8.28 8.12 3i26A1 THR 276 HA 0.04 0.51 1.17 -0.75 4.39 5.36 3i26A1 THR 276 HB 0.04 -0.11 0.12 -0.04 4.32 4.33 3i26A1 THR 276 HG23 0.05 0.01 -0.08 -0.04 1.22 1.16 3i26A1 MET 277 H 0.04 0.67 0.11 -0.55 8.47 8.75 3i26A1 MET 277 HA 0.03 0.07 0.60 -0.75 4.52 4.47 3i26A1 MET 277 HB2 0.03 -0.09 0.04 -0.04 2.15 2.09 3i26A1 MET 277 HB3 0.03 -0.07 -0.10 -0.04 2.03 1.84 3i26A1 MET 277 HG2 0.03 0.01 -0.49 -0.04 2.63 2.14 3i26A1 MET 277 HG3 0.02 0.09 -0.16 -0.04 2.56 2.48 3i26A1 MET 277 HE3 0.01 0.10 -0.01 -0.04 2.10 2.15 3i26A1 ASN 278 H 0.03 0.10 0.05 -0.55 8.53 8.17 3i26A1 ASN 278 HA 0.03 0.21 0.49 -0.75 4.76 4.74 3i26A1 ASN 278 HB2 0.03 -0.03 0.13 -0.04 2.88 2.96 3i26A1 ASN 278 HB3 0.03 0.00 0.21 -0.04 2.79 2.99 3i26A1 ASN 278 HD21 0.03 -0.00 -0.02 -0.04 7.03 7.00 3i26A1 ASN 278 HD22 0.03 -0.02 0.02 -0.04 7.74 7.73 3i26A1 ILE 279 H 0.02 0.38 -0.46 -0.55 8.25 7.64 3i26A1 ILE 279 HA 0.02 0.09 0.59 -0.75 4.18 4.12 3i26A1 ILE 279 HB 0.01 0.06 -0.01 -0.04 1.89 1.90 3i26A1 ILE 279 HG12 0.02 -0.19 -0.15 -0.04 1.49 1.12 3i26A1 ILE 279 HG13 0.00 0.14 -0.19 -0.04 1.21 1.13 3i26A1 ILE 279 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.79 3i26A1 ILE 279 HD13 0.01 -0.00 -0.08 -0.04 0.88 0.77 3i26A1 THR 280 H 0.01 0.14 0.12 -0.55 8.28 8.00 3i26A1 THR 280 HA 0.02 0.49 0.94 -0.75 4.39 5.08 3i26A1 THR 280 HB 0.02 -0.09 0.18 -0.04 4.32 4.40 3i26A1 THR 280 HG23 0.04 0.00 -0.12 -0.04 1.22 1.10 3i26A1 VAL 281 H -0.02 0.72 0.27 -0.55 8.24 8.65 3i26A1 VAL 281 HA -0.17 0.11 0.97 -0.75 4.13 4.28 3i26A1 VAL 281 HB -0.12 0.22 0.15 -0.04 2.12 2.32 3i26A1 VAL 281 HG13 -0.72 0.01 -0.11 -0.04 0.97 0.11 3i26A1 VAL 281 HG23 -0.12 -0.06 -0.21 -0.04 0.95 0.52 3i26A1 PRO 282 HA 0.06 0.17 0.47 -0.51 4.44 4.63 3i26A1 PRO 282 HB2 0.13 0.01 -0.22 -0.04 2.28 2.16 3i26A1 PRO 282 HB3 0.05 -0.02 -0.26 -0.04 2.02 1.75 3i26A1 PRO 282 HG2 0.27 -0.05 -0.16 -0.04 2.03 2.05 3i26A1 PRO 282 HG3 0.09 0.05 -0.02 -0.04 2.03 2.11 3i26A1 PRO 282 HD2 -0.12 0.01 0.17 -0.04 3.68 3.69 3i26A1 PRO 282 HD3 0.01 0.16 0.08 -0.04 3.65 3.87 3i26A1 VAL 283 H 0.09 0.42 0.35 -0.55 8.24 8.54 3i26A1 VAL 283 HA 0.18 0.15 0.84 -0.75 4.13 4.54 3i26A1 VAL 283 HB 0.47 -0.06 0.11 -0.04 2.12 2.59 3i26A1 VAL 283 HG13 0.23 0.04 -0.01 -0.04 0.97 1.18 3i26A1 VAL 283 HG23 -0.10 0.00 -0.06 -0.04 0.95 0.75 3i26A1 GLN 284 H 0.27 0.60 0.38 -0.55 8.47 9.17 3i26A1 GLN 284 HA 0.07 0.23 0.92 -0.75 4.36 4.82 3i26A1 GLN 284 HB2 0.24 -0.01 0.26 -0.04 2.15 2.59 3i26A1 GLN 284 HB3 0.37 -0.04 0.05 -0.04 2.02 2.36 3i26A1 GLN 284 HG2 0.24 0.03 -0.11 -0.04 2.40 2.52 3i26A1 GLN 284 HG3 0.24 0.05 -0.26 -0.04 2.39 2.37 3i26A1 GLN 284 HE21 0.09 0.48 0.09 -0.04 6.97 7.59 3i26A1 GLN 284 HE22 0.24 -0.02 -0.04 -0.04 7.69 7.84 3i26A1 ALA 285 H 0.04 0.64 0.25 -0.55 8.40 8.78 3i26A1 ALA 285 HA 0.27 0.18 0.97 -0.75 4.34 5.01 3i26A1 ALA 285 HB3 -0.08 -0.01 -0.07 -0.04 1.41 1.21 3i26A1 VAL 286 H 0.30 0.64 0.32 -0.55 8.24 8.96 3i26A1 VAL 286 HA 0.06 0.24 0.97 -0.75 4.13 4.64 3i26A1 VAL 286 HB 0.12 -0.05 0.16 -0.04 2.12 2.31 3i26A1 VAL 286 HG13 -0.16 0.04 -0.05 -0.04 0.97 0.76 3i26A1 VAL 286 HG23 -0.02 0.01 -0.05 -0.04 0.95 0.85 3i26A1 GLN 287 H -0.03 0.58 0.23 -0.55 8.47 8.71 3i26A1 GLN 287 HA 0.35 -0.06 0.34 -0.75 4.36 4.24 3i26A1 GLN 287 HB2 0.09 0.05 0.19 -0.04 2.15 2.44 3i26A1 GLN 287 HB3 0.09 -0.01 0.17 -0.04 2.02 2.23 3i26A1 GLN 287 HG2 0.17 0.00 0.02 -0.04 2.40 2.55 3i26A1 GLN 287 HG3 0.17 -0.03 -0.27 -0.04 2.39 2.22 3i26A1 GLN 287 HE21 0.19 -0.09 0.06 -0.04 6.97 7.08 3i26A1 GLN 287 HE22 0.24 0.07 0.02 -0.04 7.69 7.97 3i26A1 SER 288 H 0.14 0.11 0.11 -0.55 8.46 8.28 3i26A1 SER 288 HA 0.10 0.15 0.78 -0.75 4.49 4.77 3i26A1 SER 288 HB2 -0.00 0.17 -0.15 -0.04 3.95 3.92 3i26A1 SER 288 HB3 -0.02 0.06 0.02 -0.04 3.93 3.94 3i26A1 ILE 289 H 0.03 0.28 0.15 -0.55 8.25 8.16 3i26A1 ILE 289 HA -0.15 0.14 0.96 -0.75 4.18 4.37 3i26A1 ILE 289 HB 0.11 0.09 0.15 -0.04 1.89 2.19 3i26A1 ILE 289 HG12 0.19 -0.04 -0.12 -0.04 1.49 1.48 3i26A1 ILE 289 HG13 0.24 -0.00 -0.20 -0.04 1.21 1.21 3i26A1 ILE 289 HG23 0.09 -0.02 -0.16 -0.04 0.93 0.80 3i26A1 ILE 289 HD13 0.15 0.03 -0.06 -0.04 0.88 0.95 3i26A1 TRP 290 H 0.12 0.12 0.13 -0.55 7.97 7.79 3i26A1 TRP 290 HA -0.20 0.12 0.84 -0.75 4.62 4.63 3i26A1 TRP 290 HB2 0.08 0.10 -0.15 -0.04 3.23 3.22 3i26A1 TRP 290 HB3 0.11 -0.02 0.02 -0.04 3.23 3.30 3i26A1 TRP 290 HD1 0.01 0.09 -0.26 -0.04 7.22 7.02 3i26A1 TRP 290 HE1 -0.08 0.01 -0.01 -0.04 10.20 10.08 3i26A1 TRP 290 HE3 -0.21 -0.04 0.04 -0.04 7.59 7.34 3i26A1 TRP 290 HZ2 -0.13 0.07 -0.10 -0.04 7.44 7.23 3i26A1 TRP 290 HZ3 -0.18 -0.02 -0.03 -0.04 7.13 6.86 3i26A1 TRP 290 HH2 -0.13 0.00 -0.05 -0.04 7.19 6.97 3i26A1 SER 291 H 0.27 0.07 0.11 -0.55 8.46 8.37 3i26A1 SER 291 HA 0.25 0.12 0.57 -0.75 4.49 4.68 3i26A1 SER 291 HB2 0.14 -0.01 0.18 -0.04 3.95 4.22 3i26A1 SER 291 HB3 0.21 0.23 0.11 -0.04 3.93 4.44 3i26A1 GLU 292 H 0.10 0.18 0.20 -0.55 8.60 8.53 3i26A1 GLU 292 HA 0.08 0.16 0.27 -0.75 4.29 4.04 3i26A1 GLU 292 HB2 0.04 -0.02 0.17 -0.04 2.09 2.24 3i26A1 GLU 292 HB3 0.01 0.05 0.01 -0.04 1.99 2.01 3i26A1 GLU 292 HG2 0.05 0.05 0.08 -0.04 2.34 2.47 3i26A1 GLU 292 HG3 0.08 -0.06 0.08 -0.04 2.34 2.39 3i26A1 GLN 293 H -0.11 -0.01 -0.27 -0.55 8.47 7.53 3i26A1 GLN 293 HA -0.18 0.15 0.45 -0.75 4.36 4.03 3i26A1 GLN 293 HB2 -0.48 0.03 0.10 -0.04 2.15 1.76 3i26A1 GLN 293 HB3 -0.23 -0.00 0.06 -0.04 2.02 1.81 3i26A1 GLN 293 HG2 -0.23 -0.08 -0.00 -0.04 2.40 2.05 3i26A1 GLN 293 HG3 -1.10 0.01 -0.12 -0.04 2.39 1.14 3i26A1 GLN 293 HE21 -0.03 0.02 -0.01 -0.04 6.97 6.92 3i26A1 GLN 293 HE22 -0.03 -0.05 -0.01 -0.04 7.69 7.56 3i26A1 TYR 294 H -0.03 0.37 -0.40 -0.55 8.29 7.68 3i26A1 TYR 294 HA -0.10 0.23 0.95 -0.75 4.56 4.89 3i26A1 TYR 294 HB2 -0.18 -0.02 -0.10 -0.04 3.06 2.71 3i26A1 TYR 294 HB3 -0.44 -0.04 0.02 -0.04 2.98 2.48 3i26A1 TYR 294 HD2 -0.20 -0.00 -0.05 -0.04 7.15 6.85 3i26A1 TYR 294 HE2 -0.15 -0.00 -0.06 -0.04 6.85 6.59 3i26A1 ALA 295 H 0.10 0.13 0.12 -0.55 8.40 8.21 3i26A1 ALA 295 HA 0.12 0.16 0.53 -0.75 4.34 4.40 3i26A1 ALA 295 HB3 0.08 0.02 -0.00 -0.04 1.41 1.46 3i26A1 SER 296 H 0.17 0.24 0.26 -0.55 8.46 8.59 3i26A1 SER 296 HA 0.23 0.09 0.88 -0.75 4.49 4.94 3i26A1 SER 296 HB2 0.14 0.08 0.12 -0.04 3.95 4.25 3i26A1 SER 296 HB3 0.10 0.04 0.27 -0.04 3.93 4.30 3i26A1 ASP 297 H 0.08 0.24 0.30 -0.55 8.40 8.47 3i26A1 ASP 297 HA 0.08 0.24 0.63 -0.75 4.63 4.82 3i26A1 ASP 297 HB2 0.08 -0.05 0.19 -0.04 2.71 2.89 3i26A1 ASP 297 HB3 0.11 0.10 0.04 -0.04 2.70 2.91 3i26A1 ASP 298 H 0.05 0.24 0.08 -0.55 8.40 8.22 3i26A1 ASP 298 HA 0.04 0.16 0.85 -0.75 4.63 4.92 3i26A1 ASP 298 HB2 0.05 0.06 -0.05 -0.04 2.71 2.73 3i26A1 ASP 298 HB3 0.02 0.07 0.09 -0.04 2.70 2.84 3i26A1 ALA 299 H 0.02 0.12 -0.17 -0.55 8.40 7.83 3i26A1 ALA 299 HA -0.02 0.14 0.50 -0.75 4.34 4.20 3i26A1 ALA 299 HB3 0.01 0.04 0.00 -0.04 1.41 1.42 3i26A1 ILE 300 H -0.07 0.09 -0.20 -0.55 8.25 7.52 3i26A1 ILE 300 HA -0.11 0.13 0.36 -0.75 4.18 3.81 3i26A1 ILE 300 HB 0.06 -0.09 0.06 -0.04 1.89 1.87 3i26A1 ILE 300 HG12 -0.11 -0.08 0.08 -0.04 1.49 1.33 3i26A1 ILE 300 HG13 -0.05 0.11 0.10 -0.04 1.21 1.33 3i26A1 ILE 300 HG23 0.15 0.06 -0.20 -0.04 0.93 0.91 3i26A1 ILE 300 HD13 -0.65 -0.00 -0.01 -0.04 0.88 0.17 3i26A1 GLY 301 H -0.25 -0.01 -0.24 -0.55 8.43 7.37 3i26A1 GLY 301 HA2 -2.04 0.12 0.28 -0.51 4.01 1.85 3i26A1 GLY 301 HA3 -0.63 -0.01 0.25 -0.51 4.01 3.11 3i26A1 GLN 302 H -0.17 0.25 -0.35 -0.55 8.47 7.66 3i26A1 GLN 302 HA -0.10 0.12 0.53 -0.75 4.36 4.16 3i26A1 GLN 302 HB2 -0.04 -0.03 0.09 -0.04 2.15 2.13 3i26A1 GLN 302 HB3 -0.03 -0.01 0.02 -0.04 2.02 1.97 3i26A1 GLN 302 HG2 -0.04 0.11 -0.02 -0.04 2.40 2.41 3i26A1 GLN 302 HG3 -0.01 -0.08 -0.05 -0.04 2.39 2.21 3i26A1 GLN 302 HE21 -0.03 0.03 -0.10 -0.04 6.97 6.83 3i26A1 GLN 302 HE22 -0.05 -0.07 -0.11 -0.04 7.69 7.42 3i26A1 ALA 303 H -0.08 0.35 -0.19 -0.55 8.40 7.93 3i26A1 ALA 303 HA 0.07 0.07 0.54 -0.75 4.34 4.26 3i26A1 ALA 303 HB3 0.05 -0.04 -0.03 -0.04 1.41 1.35 3i26A1 CYS 304 H -0.13 0.53 -0.15 -0.55 8.50 8.21 3i26A1 CYS 304 HA -0.02 0.06 0.39 -0.75 4.58 4.25 3i26A1 CYS 304 HB2 -0.18 -0.09 -0.06 -0.04 2.97 2.60 3i26A1 CYS 304 HB3 -0.30 -0.01 0.05 -0.04 2.97 2.66 3i26A1 LYS 305 H -0.53 0.28 0.19 -0.55 8.42 7.81 3i26A1 LYS 305 HA -0.20 0.15 0.95 -0.75 4.32 4.47 3i26A1 LYS 305 HB2 -0.23 -0.00 -0.03 -0.04 1.87 1.56 3i26A1 LYS 305 HB3 -0.15 0.08 0.01 -0.04 1.79 1.68 3i26A1 LYS 305 HG2 -0.09 -0.04 -0.11 -0.04 1.46 1.18 3i26A1 LYS 305 HG3 -0.07 0.04 -0.58 -0.04 1.46 0.82 3i26A1 LYS 305 HD2 0.07 0.00 -0.02 -0.04 1.69 1.70 3i26A1 LYS 305 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.60 3i26A1 LYS 305 HE2 -0.02 -0.09 0.01 -0.04 2.99 2.85 3i26A1 LYS 305 HE3 -0.02 0.22 0.06 -0.04 2.99 3.21 3i26A1 ALA 306 H -0.16 0.11 0.20 -0.55 8.40 8.00 3i26A1 ALA 306 HA -0.17 0.02 0.54 -0.75 4.34 3.97 3i26A1 ALA 306 HB3 -0.06 0.03 0.05 -0.04 1.41 1.39 3i26A1 PRO 307 HA -0.03 -0.00 0.37 -0.51 4.44 4.26 3i26A1 PRO 307 HB2 0.06 0.07 0.11 -0.04 2.28 2.47 3i26A1 PRO 307 HB3 0.03 -0.02 0.11 -0.04 2.02 2.10 3i26A1 PRO 307 HG2 0.13 0.06 0.03 -0.04 2.03 2.21 3i26A1 PRO 307 HG3 0.07 -0.00 0.07 -0.04 2.03 2.12 3i26A1 PRO 307 HD2 0.27 0.10 0.25 -0.04 3.68 4.25 3i26A1 PRO 307 HD3 0.07 0.12 0.30 -0.04 3.65 4.09 3i26A1 TYR 308 H -0.47 0.40 0.14 -0.55 8.29 7.80 3i26A1 TYR 308 HA 0.02 0.19 0.66 -0.75 4.56 4.67 3i26A1 TYR 308 HB2 0.03 0.07 0.01 -0.04 3.06 3.13 3i26A1 TYR 308 HB3 0.02 -0.04 -0.01 -0.04 2.98 2.92 3i26A1 TYR 308 HD2 0.04 -0.08 -0.19 -0.04 7.15 6.87 3i26A1 TYR 308 HE2 0.08 0.02 0.03 -0.04 6.85 6.94 3i26A1 CYS 309 H -0.36 0.31 -0.10 -0.55 8.50 7.79 3i26A1 CYS 309 HA -0.07 0.29 0.77 -0.75 4.58 4.81 3i26A1 CYS 309 HB2 -0.04 0.07 -0.38 -0.04 2.97 2.58 3i26A1 CYS 309 HB3 -0.32 -0.13 -0.12 -0.04 2.97 2.35 3i26A1 ILE 310 H -0.07 0.73 0.17 -0.55 8.25 8.53 3i26A1 ILE 310 HA -0.14 0.10 0.71 -0.75 4.18 4.09 3i26A1 ILE 310 HB -0.11 -0.05 0.08 -0.04 1.89 1.77 3i26A1 ILE 310 HG12 -0.01 0.13 -0.18 -0.04 1.49 1.39 3i26A1 ILE 310 HG13 0.02 -0.02 -0.25 -0.04 1.21 0.92 3i26A1 ILE 310 HG23 -0.38 0.00 -0.38 -0.04 0.93 0.13 3i26A1 ILE 310 HD13 0.15 -0.03 -0.33 -0.04 0.88 0.63 3i26A1 PHE 311 H -0.07 0.21 0.10 -0.55 8.34 8.03 3i26A1 PHE 311 HA -0.20 0.18 0.73 -0.75 4.62 4.57 3i26A1 PHE 311 HB2 -0.14 0.19 0.01 -0.04 3.15 3.17 3i26A1 PHE 311 HB3 -0.12 -0.01 0.16 -0.04 3.06 3.05 3i26A1 PHE 311 HD2 -0.04 0.07 -0.11 -0.04 7.28 7.16 3i26A1 PHE 311 HE2 0.03 -0.06 -0.19 -0.04 7.38 7.12 3i26A1 PHE 311 HZ 0.04 -0.13 -0.04 -0.04 7.32 7.15 3i26A1 TYR 312 H -0.29 0.69 0.32 -0.55 8.29 8.45 3i26A1 TYR 312 HA -0.22 0.21 0.91 -0.75 4.56 4.71 3i26A1 TYR 312 HB2 -0.27 -0.11 0.20 -0.04 3.06 2.85 3i26A1 TYR 312 HB3 -0.47 0.02 0.04 -0.04 2.98 2.53 3i26A1 TYR 312 HD2 -0.31 0.01 -0.12 -0.04 7.15 6.68 3i26A1 TYR 312 HE2 -0.10 0.01 -0.13 -0.04 6.85 6.59 3i26A1 ASN 313 H -0.33 0.26 -0.01 -0.55 8.53 7.90 3i26A1 ASN 313 HA -0.49 -0.07 0.63 -0.75 4.76 4.08 3i26A1 ASN 313 HB2 -0.16 0.05 0.05 -0.04 2.88 2.78 3i26A1 ASN 313 HB3 -0.02 0.05 -0.07 -0.04 2.79 2.71 3i26A1 ASN 313 HD21 0.19 -0.05 0.01 -0.04 7.03 7.14 3i26A1 ASN 313 HD22 0.18 0.03 -0.01 -0.04 7.74 7.90 3i26A1 LYS 314 H 0.03 0.04 0.16 -0.55 8.42 8.10 3i26A1 LYS 314 HA 0.04 0.12 0.81 -0.75 4.32 4.54 3i26A1 LYS 314 HB2 0.08 -0.05 0.12 -0.04 1.87 1.97 3i26A1 LYS 314 HB3 0.05 0.18 0.05 -0.04 1.79 2.03 3i26A1 LYS 314 HG2 0.01 -0.06 0.03 -0.04 1.46 1.41 3i26A1 LYS 314 HG3 0.05 0.06 -0.01 -0.04 1.46 1.51 3i26A1 LYS 314 HD2 0.09 -0.03 -0.01 -0.04 1.69 1.70 3i26A1 LYS 314 HD3 0.15 -0.03 -0.06 -0.04 1.68 1.71 3i26A1 LYS 314 HE2 0.09 -0.14 -0.18 -0.04 2.99 2.71 3i26A1 LYS 314 HE3 0.09 0.19 -0.17 -0.04 2.99 3.06 3i26A1 THR 315 H 0.00 0.11 0.13 -0.55 8.28 7.98 3i26A1 THR 315 HA -0.00 0.20 0.80 -0.75 4.39 4.64 3i26A1 THR 315 HB -0.05 0.01 0.11 -0.04 4.32 4.34 3i26A1 THR 315 HG23 -0.11 0.03 -0.09 -0.04 1.22 1.01 3i26A1 THR 316 H 0.01 0.01 0.07 -0.55 8.28 7.81 3i26A1 THR 316 HA 0.01 0.25 0.86 -0.75 4.39 4.76 3i26A1 THR 316 HB -0.00 0.05 0.12 -0.04 4.32 4.45 3i26A1 THR 316 HG23 -0.02 -0.00 -0.09 -0.04 1.22 1.07 3i26A1 PRO 317 HA 0.09 0.11 0.52 -0.51 4.44 4.66 3i26A1 PRO 317 HB2 0.07 0.02 -0.13 -0.04 2.28 2.21 3i26A1 PRO 317 HB3 0.08 0.01 0.10 -0.04 2.02 2.18 3i26A1 PRO 317 HG2 0.04 0.05 0.04 -0.04 2.03 2.11 3i26A1 PRO 317 HG3 0.04 0.08 0.03 -0.04 2.03 2.14 3i26A1 PRO 317 HD2 0.02 0.08 0.14 -0.04 3.68 3.88 3i26A1 PRO 317 HD3 0.02 0.19 0.17 -0.04 3.65 3.99 3i26A1 TYR 318 H 0.23 0.18 0.05 -0.55 8.29 8.21 3i26A1 TYR 318 HA 0.06 0.01 0.58 -0.75 4.56 4.45 3i26A1 TYR 318 HB2 0.10 0.09 -0.20 -0.04 3.06 3.01 3i26A1 TYR 318 HB3 0.12 -0.08 -0.04 -0.04 2.98 2.93 3i26A1 TYR 318 HD2 0.08 0.09 -0.19 -0.04 7.15 7.08 3i26A1 TYR 318 HE2 0.08 -0.02 -0.33 -0.04 6.85 6.54 3i26A1 THR 319 H -0.21 0.11 0.16 -0.55 8.28 7.79 3i26A1 THR 319 HA 0.08 0.15 0.76 -0.75 4.39 4.62 3i26A1 THR 319 HB -0.03 -0.09 0.12 -0.04 4.32 4.28 3i26A1 THR 319 HG23 0.02 0.01 -0.14 -0.04 1.22 1.07 3i26A1 VAL 320 H 0.09 0.26 0.09 -0.55 8.24 8.13 3i26A1 VAL 320 HA 0.02 0.23 0.79 -0.75 4.13 4.42 3i26A1 VAL 320 HB 0.13 -0.04 -0.02 -0.04 2.12 2.14 3i26A1 VAL 320 HG13 0.10 0.08 -0.20 -0.04 0.97 0.91 3i26A1 VAL 320 HG23 0.26 -0.03 -0.67 -0.04 0.95 0.47 3i26A1 THR 321 H 0.02 0.17 0.17 -0.55 8.28 8.09 3i26A1 THR 321 HA 0.03 0.20 0.86 -0.75 4.39 4.72 3i26A1 THR 321 HB 0.01 0.04 0.07 -0.04 4.32 4.40 3i26A1 THR 321 HG23 0.01 -0.01 -0.12 -0.04 1.22 1.06 3i26A1 ASN 322 H 0.03 0.06 0.03 -0.55 8.53 8.10 3i26A1 ASN 322 HA 0.03 0.17 0.62 -0.75 4.76 4.82 3i26A1 ASN 322 HB2 0.02 0.03 -0.16 -0.04 2.88 2.72 3i26A1 ASN 322 HB3 0.02 -0.01 0.13 -0.04 2.79 2.89 3i26A1 ASN 322 HD21 0.01 -0.01 0.02 -0.04 7.03 7.01 3i26A1 ASN 322 HD22 0.01 -0.02 0.03 -0.04 7.74 7.73 3i26A1 GLY 323 H 0.06 0.14 -0.03 -0.55 8.43 8.05 3i26A1 GLY 323 HA2 0.06 0.34 0.99 -0.51 4.01 4.90 3i26A1 GLY 323 HA3 0.10 0.19 0.48 -0.51 4.01 4.27 3i26A1 SER 324 H 0.10 0.31 0.02 -0.55 8.46 8.35 3i26A1 SER 324 HA 0.04 0.13 0.42 -0.75 4.49 4.32 3i26A1 SER 324 HB2 -0.02 -0.02 -0.03 -0.04 3.95 3.84 3i26A1 SER 324 HB3 0.00 0.02 -0.13 -0.04 3.93 3.78 3i26A1 ASP 325 H 0.17 0.19 0.07 -0.55 8.40 8.28 3i26A1 ASP 325 HA 0.09 0.22 0.19 -0.75 4.63 4.38 3i26A1 ASP 325 HB2 0.11 -0.13 0.19 -0.04 2.71 2.83 3i26A1 ASP 325 HB3 0.07 0.24 0.08 -0.04 2.70 3.06 3i26A1 ALA 326 H 0.12 0.21 0.10 -0.55 8.40 8.29 3i26A1 ALA 326 HA 0.15 0.14 0.25 -0.75 4.34 4.13 3i26A1 ALA 326 HB3 0.12 0.02 0.10 -0.04 1.41 1.61 3i26A1 ASN 327 H 0.19 0.01 -0.61 -0.55 8.53 7.58 3i26A1 ASN 327 HA -0.17 0.19 0.80 -0.75 4.76 4.83 3i26A1 ASN 327 HB2 0.13 0.01 -0.02 -0.04 2.88 2.96 3i26A1 ASN 327 HB3 -0.08 0.02 0.15 -0.04 2.79 2.84 3i26A1 ASN 327 HD21 0.30 0.01 -0.08 -0.04 7.03 7.22 3i26A1 ASN 327 HD22 0.14 0.01 -0.12 -0.04 7.74 7.73 3i26A1 HIS 328 H 0.29 0.50 -0.23 -0.55 8.41 8.42 3i26A1 HIS 328 HA 0.24 0.09 0.66 -0.75 4.63 4.88 3i26A1 HIS 328 HB2 0.09 -0.22 0.09 -0.04 3.26 3.19 3i26A1 HIS 328 HB3 0.09 0.18 0.06 -0.04 3.20 3.48 3i26A1 HIS 328 HD2 0.04 0.16 -0.12 -0.04 6.97 7.01 3i26A1 HIS 328 HE1 0.09 0.00 -0.09 -0.04 7.75 7.71 3i26A1 GLY 329 H 0.29 0.02 -0.06 -0.55 8.43 8.14 3i26A1 GLY 329 HA2 0.10 0.33 0.20 -0.51 4.01 4.13 3i26A1 GLY 329 HA3 0.11 0.19 0.81 -0.51 4.01 4.61 3i26A1 ASP 330 H -0.07 0.00 0.03 -0.55 8.40 7.82 3i26A1 ASP 330 HA -0.33 0.22 0.29 -0.75 4.63 4.05 3i26A1 ASP 330 HB2 -2.01 0.04 0.03 -0.04 2.71 0.73 3i26A1 ASP 330 HB3 -0.40 -0.01 0.15 -0.04 2.70 2.40 3i26A1 ASP 331 H -0.11 0.53 0.38 -0.55 8.40 8.65 3i26A1 ASP 331 HA -0.04 0.14 0.45 -0.75 4.63 4.43 3i26A1 ASP 331 HB2 -0.04 -0.02 0.19 -0.04 2.71 2.79 3i26A1 ASP 331 HB3 -0.03 0.04 0.06 -0.04 2.70 2.74 3i26A1 GLU 332 H -0.10 0.07 -0.03 -0.55 8.60 8.01 3i26A1 GLU 332 HA -0.04 0.15 0.40 -0.75 4.29 4.05 3i26A1 GLU 332 HB2 -0.04 0.02 0.13 -0.04 2.09 2.15 3i26A1 GLU 332 HB3 -0.06 -0.05 0.11 -0.04 1.99 1.94 3i26A1 GLU 332 HG2 0.00 0.08 -0.16 -0.04 2.34 2.22 3i26A1 GLU 332 HG3 -0.01 0.07 0.06 -0.04 2.34 2.42 3i26A1 VAL 333 H -0.12 0.00 -0.15 -0.55 8.24 7.42 3i26A1 VAL 333 HA -0.13 0.11 0.40 -0.75 4.13 3.76 3i26A1 VAL 333 HB -0.11 -0.06 0.11 -0.04 2.12 2.03 3i26A1 VAL 333 HG13 -0.44 0.05 -0.07 -0.04 0.97 0.46 3i26A1 VAL 333 HG23 -0.05 0.00 0.03 -0.04 0.95 0.89 3i26A1 ARG 334 H -0.08 0.41 -0.20 -0.55 8.46 8.04 3i26A1 ARG 334 HA -0.04 0.34 0.40 -0.75 4.34 4.28 3i26A1 ARG 334 HB2 -0.03 0.05 0.13 -0.04 1.90 2.01 3i26A1 ARG 334 HB3 -0.01 -0.04 -0.06 -0.04 1.80 1.65 3i26A1 ARG 334 HG2 -0.00 0.02 -0.10 -0.04 1.67 1.55 3i26A1 ARG 334 HG3 -0.02 -0.10 0.03 -0.04 1.67 1.54 3i26A1 ARG 334 HD2 -0.01 -0.03 -0.28 -0.04 3.22 2.86 3i26A1 ARG 334 HD3 0.00 -0.04 -0.08 -0.04 3.22 3.06 3i26A1 MET 335 H -0.03 0.38 -0.29 -0.55 8.47 7.99 3i26A1 MET 335 HA 0.04 0.01 0.45 -0.75 4.52 4.27 3i26A1 MET 335 HB2 0.00 -0.00 0.14 -0.04 2.15 2.25 3i26A1 MET 335 HB3 -0.01 0.11 0.18 -0.04 2.03 2.27 3i26A1 MET 335 HG2 0.01 -0.06 0.02 -0.04 2.63 2.56 3i26A1 MET 335 HG3 0.07 0.06 -0.07 -0.04 2.56 2.58 3i26A1 MET 335 HE3 0.02 -0.01 0.00 -0.04 2.10 2.06 3i26A1 MET 336 H -0.05 0.43 0.03 -0.55 8.47 8.33 3i26A1 MET 336 HA -0.09 0.31 0.63 -0.75 4.52 4.61 3i26A1 MET 336 HB2 -0.17 -0.01 0.26 -0.04 2.15 2.18 3i26A1 MET 336 HB3 -0.31 -0.10 0.15 -0.04 2.03 1.73 3i26A1 MET 336 HG2 -0.19 0.13 -0.03 -0.04 2.63 2.50 3i26A1 MET 336 HG3 -0.04 0.06 0.10 -0.04 2.56 2.65 3i26A1 MET 336 HE3 -0.27 0.01 -0.10 -0.04 2.10 1.70 3i26A1 MET 337 H -0.08 0.64 -0.15 -0.55 8.47 8.33 3i26A1 MET 337 HA -0.09 0.01 0.28 -0.75 4.52 3.96 3i26A1 MET 337 HB2 -0.06 0.21 0.14 -0.04 2.15 2.40 3i26A1 MET 337 HB3 -0.03 -0.13 0.09 -0.04 2.03 1.92 3i26A1 MET 337 HG2 -0.20 0.11 0.00 -0.04 2.63 2.51 3i26A1 MET 337 HG3 -0.16 -0.06 -0.20 -0.04 2.56 2.10 3i26A1 MET 337 HE3 -0.31 -0.03 -0.12 -0.04 2.10 1.60 3i26A1 GLN 338 H 0.00 0.38 -0.39 -0.55 8.47 7.92 3i26A1 GLN 338 HA -0.05 -0.04 0.54 -0.75 4.36 4.05 3i26A1 GLN 338 HB2 0.05 0.33 0.11 -0.04 2.15 2.59 3i26A1 GLN 338 HB3 -0.13 -0.09 0.03 -0.04 2.02 1.78 3i26A1 GLN 338 HG2 0.00 0.28 0.13 -0.04 2.40 2.78 3i26A1 GLN 338 HG3 0.02 -0.08 0.05 -0.04 2.39 2.34 3i26A1 GLN 338 HE21 -0.03 -0.06 0.00 -0.04 6.97 6.85 3i26A1 GLN 338 HE22 -0.04 0.01 0.01 -0.04 7.69 7.63 3i26A1 GLY 339 H 0.02 0.61 -0.30 -0.55 8.43 8.21 3i26A1 GLY 339 HA2 -0.32 -0.06 0.35 -0.51 4.01 3.47 3i26A1 GLY 339 HA3 -0.05 0.28 0.24 -0.51 4.01 3.96 3i26A1 LEU 340 H -0.10 0.40 -0.48 -0.55 8.37 7.64 3i26A1 LEU 340 HA -0.20 -0.01 0.34 -0.75 4.35 3.74 3i26A1 LEU 340 HB2 -0.02 0.17 0.01 -0.04 1.64 1.76 3i26A1 LEU 340 HB3 -0.20 -0.05 -0.01 -0.04 1.64 1.34 3i26A1 LEU 340 HG -0.13 0.05 -0.20 -0.04 1.64 1.32 3i26A1 LEU 340 HD13 0.19 -0.02 -0.10 -0.04 0.93 0.95 3i26A1 LEU 340 HD23 -0.57 -0.03 -0.33 -0.04 0.89 -0.09 3i26A1 LEU 341 H -0.10 0.44 -0.44 -0.55 8.37 7.73 3i26A1 LEU 341 HA 0.04 0.11 0.70 -0.75 4.35 4.45 3i26A1 LEU 341 HB2 -0.08 0.19 0.06 -0.04 1.64 1.77 3i26A1 LEU 341 HB3 -0.02 -0.09 0.11 -0.04 1.64 1.60 3i26A1 LEU 341 HG 0.00 0.03 -0.05 -0.04 1.64 1.59 3i26A1 LEU 341 HD13 -0.01 -0.04 0.01 -0.04 0.93 0.85 3i26A1 LEU 341 HD23 0.07 -0.00 -0.08 -0.04 0.89 0.84 3i26A1 ARG 342 H -0.17 0.38 -0.27 -0.55 8.46 7.84 3i26A1 ARG 342 HA -0.14 0.01 0.42 -0.75 4.34 3.88 3i26A1 ARG 342 HB2 -0.21 0.18 0.01 -0.04 1.90 1.84 3i26A1 ARG 342 HB3 -0.17 0.03 -0.06 -0.04 1.80 1.56 3i26A1 ARG 342 HG2 -0.28 -0.07 -0.07 -0.04 1.67 1.20 3i26A1 ARG 342 HG3 -0.32 0.08 -0.02 -0.04 1.67 1.37 3i26A1 ARG 342 HD2 -1.08 -0.05 -0.08 -0.04 3.22 1.96 3i26A1 ARG 342 HD3 -0.34 0.07 0.03 -0.04 3.22 2.93 3i26A1 ASN 343 H -0.11 0.08 0.13 -0.55 8.53 8.09 3i26A1 ASN 343 HA -0.13 0.11 0.68 -0.75 4.76 4.67 3i26A1 ASN 343 HB2 -0.06 0.01 0.13 -0.04 2.88 2.92 3i26A1 ASN 343 HB3 -0.07 -0.03 0.20 -0.04 2.79 2.85 3i26A1 ASN 343 HD21 -0.04 -0.02 0.01 -0.04 7.03 6.94 3i26A1 ASN 343 HD22 -0.04 -0.01 0.04 -0.04 7.74 7.69 3i26A1 SER 344 H -0.18 0.35 0.19 -0.55 8.46 8.27 3i26A1 SER 344 HA -0.10 0.14 0.51 -0.75 4.49 4.29 3i26A1 SER 344 HB2 -0.23 0.15 -0.21 -0.04 3.95 3.62 3i26A1 SER 344 HB3 -0.15 -0.04 -0.15 -0.04 3.93 3.55 3i26A1 SER 345 H -0.08 0.76 0.43 -0.55 8.46 9.03 3i26A1 SER 345 HA -0.05 0.15 0.87 -0.75 4.49 4.71 3i26A1 SER 345 HB2 -0.04 0.07 -0.13 -0.04 3.95 3.80 3i26A1 SER 345 HB3 -0.03 -0.05 0.17 -0.04 3.93 3.98 3i26A1 CYS 346 H -0.10 0.30 0.21 -0.55 8.50 8.36 3i26A1 CYS 346 HA -0.13 0.26 0.84 -0.75 4.58 4.80 3i26A1 CYS 346 HB2 -0.05 0.25 -0.30 -0.04 2.97 2.83 3i26A1 CYS 346 HB3 -0.05 -0.07 0.07 -0.04 2.97 2.87 3i26A1 ILE 347 H -0.37 0.62 0.25 -0.55 8.25 8.20 3i26A1 ILE 347 HA -0.15 0.15 0.77 -0.75 4.18 4.19 3i26A1 ILE 347 HB -1.22 -0.02 0.04 -0.04 1.89 0.65 3i26A1 ILE 347 HG12 -0.41 -0.08 -0.47 -0.04 1.49 0.49 3i26A1 ILE 347 HG13 -0.29 0.01 -0.27 -0.04 1.21 0.61 3i26A1 ILE 347 HG23 -0.03 0.02 -0.17 -0.04 0.93 0.70 3i26A1 ILE 347 HD13 -0.16 0.03 -0.40 -0.04 0.88 0.31 3i26A1 SER 348 H 0.02 0.40 0.14 -0.55 8.46 8.47 3i26A1 SER 348 HA -0.00 0.34 0.78 -0.75 4.49 4.85 3i26A1 SER 348 HB2 0.02 0.18 0.14 -0.04 3.95 4.24 3i26A1 SER 348 HB3 -0.02 -0.02 -0.27 -0.04 3.93 3.59 3i26A1 PRO 349 HA -0.21 0.11 0.39 -0.51 4.44 4.22 3i26A1 PRO 349 HB2 0.06 -0.05 -0.06 -0.04 2.28 2.20 3i26A1 PRO 349 HB3 -0.05 0.05 0.11 -0.04 2.02 2.09 3i26A1 PRO 349 HG2 0.05 0.02 -0.23 -0.04 2.03 1.83 3i26A1 PRO 349 HG3 -0.03 0.09 -0.14 -0.04 2.03 1.90 3i26A1 PRO 349 HD2 0.07 -0.08 0.05 -0.04 3.68 3.68 3i26A1 PRO 349 HD3 0.02 0.51 0.10 -0.04 3.65 4.24 3i26A1 GLN 350 H 0.11 0.08 -0.35 -0.55 8.47 7.76 3i26A1 GLN 350 HA 0.22 0.08 0.47 -0.75 4.36 4.37 3i26A1 GLN 350 HB2 0.08 0.01 -0.03 -0.04 2.15 2.16 3i26A1 GLN 350 HB3 0.09 0.01 -0.06 -0.04 2.02 2.02 3i26A1 GLN 350 HG2 0.07 0.25 0.07 -0.04 2.40 2.75 3i26A1 GLN 350 HG3 0.11 -0.02 -0.00 -0.04 2.39 2.43 3i26A1 GLN 350 HE21 0.19 -0.01 -0.09 -0.04 6.97 7.03 3i26A1 GLN 350 HE22 0.14 0.03 -0.10 -0.04 7.69 7.72 3i26A1 GLY 351 H 0.18 0.29 -0.39 -0.55 8.43 7.96 3i26A1 GLY 351 HA2 -0.00 0.19 0.35 -0.51 4.01 4.05 3i26A1 GLY 351 HA3 0.03 0.32 0.61 -0.51 4.01 4.46 3i26A1 SER 352 H 0.02 0.45 0.28 -0.55 8.46 8.67 3i26A1 SER 352 HA -0.05 0.34 0.91 -0.75 4.49 4.93 3i26A1 SER 352 HB2 -0.11 -0.01 0.01 -0.04 3.95 3.80 3i26A1 SER 352 HB3 -0.10 -0.03 -0.06 -0.04 3.93 3.69 3i26A1 THR 353 H -0.05 0.45 0.33 -0.55 8.28 8.46 3i26A1 THR 353 HA -0.01 0.21 0.60 -0.75 4.39 4.43 3i26A1 THR 353 HB -0.01 0.06 0.02 -0.04 4.32 4.35 3i26A1 THR 353 HG23 0.02 -0.01 -0.43 -0.04 1.22 0.75 3i26A1 PRO 354 HA -0.06 -0.06 0.61 -0.51 4.44 4.43 3i26A1 PRO 354 HB2 -0.04 0.05 0.01 -0.04 2.28 2.26 3i26A1 PRO 354 HB3 -0.05 0.10 0.03 -0.04 2.02 2.05 3i26A1 PRO 354 HG2 -0.03 0.07 -0.06 -0.04 2.03 1.98 3i26A1 PRO 354 HG3 -0.04 0.02 0.05 -0.04 2.03 2.02 3i26A1 PRO 354 HD2 -0.02 0.04 0.19 -0.04 3.68 3.85 3i26A1 PRO 354 HD3 -0.04 0.22 0.09 -0.04 3.65 3.88 3i26A1 LEU 355 H -0.04 0.07 0.04 -0.55 8.37 7.90 3i26A1 LEU 355 HA -0.04 0.11 0.37 -0.75 4.35 4.04 3i26A1 LEU 355 HB2 -0.03 -0.02 0.11 -0.04 1.64 1.65 3i26A1 LEU 355 HB3 -0.03 -0.02 0.11 -0.04 1.64 1.65 3i26A1 LEU 355 HG -0.04 0.03 -0.15 -0.04 1.64 1.44 3i26A1 LEU 355 HD13 -0.03 0.02 -0.00 -0.04 0.93 0.88 3i26A1 LEU 355 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.78 3i26A1 ALA 356 H -0.05 0.30 0.16 -0.55 8.40 8.25 3i26A1 ALA 356 HA -0.07 0.12 0.53 -0.75 4.34 4.16 3i26A1 ALA 356 HB3 -0.03 0.03 -0.14 -0.04 1.41 1.23 3i26A1 LEU 357 H -0.18 0.22 0.09 -0.55 8.37 7.95 3i26A1 LEU 357 HA -0.33 0.15 0.79 -0.75 4.35 4.20 3i26A1 LEU 357 HB2 -0.74 0.00 0.09 -0.04 1.64 0.95 3i26A1 LEU 357 HB3 -1.30 -0.02 -0.01 -0.04 1.64 0.27 3i26A1 LEU 357 HG -0.23 0.02 -0.03 -0.04 1.64 1.36 3i26A1 LEU 357 HD13 -0.24 -0.00 -0.01 -0.04 0.93 0.64 3i26A1 LEU 357 HD23 -0.25 0.01 -0.03 -0.04 0.89 0.58 3i26A1 TYR 358 H -0.09 0.18 0.03 -0.55 8.29 7.85 3i26A1 TYR 358 HA 0.01 0.40 1.02 -0.75 4.56 5.24 3i26A1 TYR 358 HB2 -0.02 -0.06 -0.01 -0.04 3.06 2.93 3i26A1 TYR 358 HB3 0.06 0.01 -0.04 -0.04 2.98 2.96 3i26A1 TYR 358 HD2 -0.10 0.06 -0.12 -0.04 7.15 6.94 3i26A1 TYR 358 HE2 -0.60 0.01 -0.06 -0.04 6.85 6.15 3i26A1 SER 359 H 0.24 0.65 0.09 -0.55 8.46 8.89 3i26A1 SER 359 HA 0.10 0.32 0.92 -0.75 4.49 5.08 3i26A1 SER 359 HB2 0.11 0.06 -0.16 -0.04 3.95 3.91 3i26A1 SER 359 HB3 0.23 -0.06 -0.16 -0.04 3.93 3.90 3i26A1 THR 360 H 0.06 0.65 0.32 -0.55 8.28 8.77 3i26A1 THR 360 HA -0.19 0.01 0.53 -0.75 4.39 3.98 3i26A1 THR 360 HB -0.11 -0.04 0.11 -0.04 4.32 4.24 3i26A1 THR 360 HG23 -0.14 0.04 -0.09 -0.04 1.22 0.99 3i26A1 GLU 361 H 0.22 0.18 -0.20 -0.55 8.60 8.26 3i26A1 GLU 361 HA 0.45 0.08 0.44 -0.75 4.29 4.51 3i26A1 GLU 361 HB2 0.06 -0.04 0.13 -0.04 2.09 2.20 3i26A1 GLU 361 HB3 0.12 0.04 -0.13 -0.04 1.99 1.99 3i26A1 GLU 361 HG2 0.08 -0.09 -0.06 -0.04 2.34 2.23 3i26A1 GLU 361 HG3 0.03 0.18 -0.37 -0.04 2.34 2.15 3i26A1 MET 362 H -0.36 0.11 0.10 -0.55 8.47 7.77 3i26A1 MET 362 HA -0.45 0.00 0.40 -0.75 4.52 3.72 3i26A1 MET 362 HB2 -0.82 -0.04 0.11 -0.04 2.15 1.36 3i26A1 MET 362 HB3 -0.45 0.02 0.03 -0.04 2.03 1.59 3i26A1 MET 362 HG2 -0.59 -0.00 -0.05 -0.04 2.63 1.95 3i26A1 MET 362 HG3 -0.83 0.12 -0.09 -0.04 2.56 1.71 3i26A1 MET 362 HE3 -0.13 0.02 0.00 -0.04 2.10 1.94 3i26A1 ILE 363 H -0.26 0.16 0.18 -0.55 8.25 7.77 3i26A1 ILE 363 HA -0.10 0.09 0.79 -0.75 4.18 4.21 3i26A1 ILE 363 HB -0.06 -0.00 0.10 -0.04 1.89 1.89 3i26A1 ILE 363 HG12 0.00 -0.01 -0.15 -0.04 1.49 1.30 3i26A1 ILE 363 HG13 -0.00 0.06 -0.26 -0.04 1.21 0.97 3i26A1 ILE 363 HG23 -0.02 0.01 -0.15 -0.04 0.93 0.73 3i26A1 ILE 363 HD13 0.02 0.04 -0.13 -0.04 0.88 0.76 3i26A1 TYR 364 H 0.06 0.10 0.07 -0.55 8.29 7.96 3i26A1 TYR 364 HA -0.02 0.13 0.64 -0.75 4.56 4.56 3i26A1 TYR 364 HB2 -0.02 0.04 0.02 -0.04 3.06 3.06 3i26A1 TYR 364 HB3 -0.02 -0.05 0.16 -0.04 2.98 3.02 3i26A1 TYR 364 HD2 -0.03 0.03 -0.05 -0.04 7.15 7.06 3i26A1 TYR 364 HE2 -0.07 0.00 -0.06 -0.04 6.85 6.69 3i26A1 GLU 365 H 0.16 0.09 0.16 -0.55 8.60 8.46 3i26A1 GLU 365 HA 0.05 0.16 0.54 -0.75 4.29 4.28 3i26A1 GLU 365 HB2 0.05 -0.02 0.10 -0.04 2.09 2.18 3i26A1 GLU 365 HB3 0.04 0.02 0.14 -0.04 1.99 2.14 3i26A1 GLU 365 HG2 0.05 0.06 -0.33 -0.04 2.34 2.07 3i26A1 GLU 365 HG3 0.06 -0.03 0.00 -0.04 2.34 2.33 3i26A1 PRO 366 HA 0.04 -0.01 0.42 -0.51 4.44 4.38 3i26A1 PRO 366 HB2 0.05 0.08 -0.21 -0.04 2.28 2.17 3i26A1 PRO 366 HB3 0.03 0.16 0.03 -0.04 2.02 2.19 3i26A1 PRO 366 HG2 -0.06 0.07 -0.46 -0.04 2.03 1.54 3i26A1 PRO 366 HG3 -0.06 -0.18 -0.05 -0.04 2.03 1.70 3i26A1 PRO 366 HD2 -0.05 0.03 0.18 -0.04 3.68 3.81 3i26A1 PRO 366 HD3 -0.06 0.09 0.48 -0.04 3.65 4.12 3i26A1 ASN 367 H 0.07 0.21 0.25 -0.55 8.53 8.51 3i26A1 ASN 367 HA 0.04 0.28 0.61 -0.75 4.76 4.95 3i26A1 ASN 367 HB2 -0.02 0.04 0.14 -0.04 2.88 3.00 3i26A1 ASN 367 HB3 0.01 0.10 0.13 -0.04 2.79 2.99 3i26A1 ASN 367 HD21 0.02 -0.08 -0.21 -0.04 7.03 6.71 3i26A1 ASN 367 HD22 0.02 0.57 -0.33 -0.04 7.74 7.96 3i26A1 TYR 368 H -0.15 0.52 0.35 -0.55 8.29 8.45 3i26A1 TYR 368 HA 0.02 0.14 0.67 -0.75 4.56 4.64 3i26A1 TYR 368 HB2 0.03 -0.08 0.19 -0.04 3.06 3.16 3i26A1 TYR 368 HB3 0.03 0.11 -0.09 -0.04 2.98 3.00 3i26A1 TYR 368 HD2 0.03 -0.02 -0.20 -0.04 7.15 6.92 3i26A1 TYR 368 HE2 0.05 -0.02 -0.12 -0.04 6.85 6.71 3i26A1 GLY 369 H 0.23 0.12 0.20 -0.55 8.43 8.43 3i26A1 GLY 369 HA2 0.11 -0.04 0.36 -0.51 4.01 3.94 3i26A1 GLY 369 HA3 -0.00 0.35 0.89 -0.51 4.01 4.73 3i26A1 SER 370 H 0.00 0.50 0.22 -0.55 8.46 8.63 3i26A1 SER 370 HA 0.01 0.09 0.81 -0.75 4.49 4.66 3i26A1 SER 370 HB2 0.01 -0.04 0.05 -0.04 3.95 3.93 3i26A1 SER 370 HB3 -0.01 -0.02 0.16 -0.04 3.93 4.02 3i26A1 CYS 371 H 0.00 0.15 0.01 -0.55 8.50 8.11 3i26A1 CYS 371 HA -0.02 0.19 0.66 -0.75 4.58 4.65 3i26A1 CYS 371 HB2 0.01 -0.05 -0.04 -0.04 2.97 2.84 3i26A1 CYS 371 HB3 -0.00 0.11 -0.10 -0.04 2.97 2.94 3i26A1 PRO 372 HA -0.04 0.19 0.41 -0.51 4.44 4.49 3i26A1 PRO 372 HB2 0.05 -0.10 -0.57 -0.04 2.28 1.61 3i26A1 PRO 372 HB3 -0.03 0.01 -0.57 -0.04 2.02 1.39 3i26A1 PRO 372 HG2 0.03 -0.04 -0.17 -0.04 2.03 1.81 3i26A1 PRO 372 HG3 0.00 0.09 -0.17 -0.04 2.03 1.91 3i26A1 PRO 372 HD2 -0.00 0.04 0.08 -0.04 3.68 3.75 3i26A1 PRO 372 HD3 -0.02 0.22 0.07 -0.04 3.65 3.89 3i26A1 GLN 373 H 0.02 0.54 0.26 -0.55 8.47 8.75 3i26A1 GLN 373 HA 0.16 0.13 0.74 -0.75 4.36 4.63 3i26A1 GLN 373 HB2 0.33 0.04 0.08 -0.04 2.15 2.55 3i26A1 GLN 373 HB3 0.39 -0.06 0.09 -0.04 2.02 2.40 3i26A1 GLN 373 HG2 0.12 0.04 -0.05 -0.04 2.40 2.47 3i26A1 GLN 373 HG3 0.06 0.08 0.04 -0.04 2.39 2.53 3i26A1 GLN 373 HE21 0.19 -0.04 0.01 -0.04 6.97 7.08 3i26A1 GLN 373 HE22 0.02 0.05 0.03 -0.04 7.69 7.75 3i26A1 PHE 374 H 0.31 0.13 0.14 -0.55 8.34 8.37 3i26A1 PHE 374 HA 0.16 0.20 0.36 -0.75 4.62 4.58 3i26A1 PHE 374 HB2 0.01 0.05 0.08 -0.04 3.15 3.25 3i26A1 PHE 374 HB3 0.02 -0.03 0.13 -0.04 3.06 3.14 3i26A1 PHE 374 HD2 0.05 0.12 -0.22 -0.04 7.28 7.18 3i26A1 PHE 374 HE2 0.07 0.13 -0.14 -0.04 7.38 7.40 3i26A1 PHE 374 HZ -0.01 0.06 -0.01 -0.04 7.32 7.31 3i26A1 TYR 375 H 0.16 0.58 0.26 -0.55 8.29 8.74 3i26A1 TYR 375 HA 0.03 0.10 0.23 -0.75 4.56 4.16 3i26A1 TYR 375 HB2 -0.26 -0.03 0.01 -0.04 3.06 2.75 3i26A1 TYR 375 HB3 -0.08 0.14 0.01 -0.04 2.98 3.01 3i26A1 TYR 375 HD2 -0.24 0.08 0.00 -0.04 7.15 6.95 3i26A1 TYR 375 HE2 -0.03 0.07 -0.01 -0.04 6.85 6.84 3i26A1 LYS 376 H -1.61 0.10 -0.27 -0.55 8.42 6.08 3i26A1 LYS 376 HA -0.61 0.05 0.23 -0.75 4.32 3.24 3i26A1 LYS 376 HB2 -0.68 0.01 0.00 -0.04 1.87 1.17 3i26A1 LYS 376 HB3 -0.35 0.00 0.03 -0.04 1.79 1.42 3i26A1 LYS 376 HG2 -0.88 -0.00 -0.00 -0.04 1.46 0.54 3i26A1 LYS 376 HG3 -1.87 0.00 0.01 -0.04 1.46 -0.44 3i26A1 LYS 376 HD2 0.05 0.01 -0.01 -0.04 1.69 1.71 3i26A1 LYS 376 HD3 -0.13 -0.01 -0.01 -0.04 1.68 1.48 3i26A1 LYS 376 HE2 -0.03 0.05 -0.00 -0.04 2.99 2.96 3i26A1 LYS 376 HE3 0.03 0.02 -0.01 -0.04 2.99 2.99 3i26A1 LEU 377 H -0.19 0.31 -0.35 -0.55 8.37 7.58 3i26A1 LEU 377 HA -0.18 0.02 0.39 -0.75 4.35 3.83 3i26A1 LEU 377 HB2 -0.25 0.17 0.00 -0.04 1.64 1.52 3i26A1 LEU 377 HB3 -0.44 -0.01 0.06 -0.04 1.64 1.21 3i26A1 LEU 377 HG 0.12 -0.08 0.04 -0.04 1.64 1.68 3i26A1 LEU 377 HD13 0.07 -0.01 0.05 -0.04 0.93 1.00 3i26A1 LEU 377 HD23 -0.02 -0.01 0.01 -0.04 0.89 0.83 3i26A1 PHE 378 H 0.05 0.38 -0.48 -0.55 8.34 7.73 3i26A1 PHE 378 HA -0.02 0.17 0.74 -0.75 4.62 4.76 3i26A1 PHE 378 HB2 -0.10 0.10 0.01 -0.04 3.15 3.12 3i26A1 PHE 378 HB3 0.02 -0.05 0.11 -0.04 3.06 3.10 3i26A1 PHE 378 HD2 0.10 0.05 -0.09 -0.04 7.28 7.31 3i26A1 PHE 378 HE2 0.09 -0.03 -0.08 -0.04 7.38 7.32 3i26A1 PHE 378 HZ 0.06 -0.01 -0.04 -0.04 7.32 7.29 3i26A1 ASP 379 H -0.09 0.36 -0.17 -0.55 8.40 7.96 3i26A1 ASP 379 HA -0.04 0.03 0.50 -0.75 4.63 4.36 3i26A1 ASP 379 HB2 -0.14 0.05 0.15 -0.04 2.71 2.72 3i26A1 ASP 379 HB3 -0.10 0.05 0.15 -0.04 2.70 2.76 3i26A1 THR 380 H -0.02 0.13 0.16 -0.55 8.28 8.01 3i26A1 THR 380 HA -0.01 0.22 0.82 -0.75 4.39 4.67 3i26A1 THR 380 HB 0.00 -0.01 0.18 -0.04 4.32 4.46 3i26A1 THR 380 HG23 0.02 0.07 -0.09 -0.04 1.22 1.18 3i26A1 SER 381 H -0.03 0.03 -0.12 -0.55 8.46 7.79 3i26A1 SER 381 HA -0.01 0.17 0.38 -0.75 4.49 4.27 3i26A1 SER 381 HB2 -0.02 -0.20 0.17 -0.04 3.95 3.85 3i26A1 SER 381 HB3 -0.01 0.08 -0.06 -0.04 3.93 3.90 3i26A1 GLY 382 H -0.01 0.20 -0.04 -0.55 8.43 8.03 3i26A1 GLY 382 HA2 -0.03 -0.21 0.29 -0.51 4.01 3.55 3i26A1 GLY 382 HA3 -0.02 0.18 0.20 -0.51 4.01 3.86 3i26A1 ASN 383 H -0.02 0.05 -0.01 -0.55 8.53 8.00 3i26A1 ASN 383 HA -0.01 0.20 0.65 -0.75 4.76 4.84 3i26A1 ASN 383 HB2 -0.02 -0.04 0.00 -0.04 2.88 2.78 3i26A1 ASN 383 HB3 -0.01 0.03 0.08 -0.04 2.79 2.85 3i26A1 ASN 383 HD21 -0.01 0.05 -0.02 -0.04 7.03 7.00 3i26A1 ASN 383 HD22 -0.01 -0.02 -0.01 -0.04 7.74 7.66 3i26A1 GLU 384 H -0.03 -0.13 -0.27 -0.55 8.60 7.62 3i26A1 GLU 384 HA -0.03 0.18 0.35 -0.75 4.29 4.04 3i26A1 GLU 384 HB2 -0.06 -0.04 0.04 -0.04 2.09 1.99 3i26A1 GLU 384 HB3 -0.06 0.08 0.03 -0.04 1.99 2.00 3i26A1 GLU 384 HG2 -0.12 0.03 0.03 -0.04 2.34 2.23 3i26A1 GLU 384 HG3 -0.09 0.03 -0.01 -0.04 2.34 2.23