============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 18 1.000 31.722 3.728 1.635 -99.200 -91.000 PHE 28 1.000 18.536 3.432 2.202 -99.200 -91.000 HIS 37 0.900 -4.097 0.703 -9.715 -99.200 -91.000 TYR 61 0.840 6.471 1.186 5.273 -99.200 -91.000 TRP 70 1.040 14.005 -13.531 4.994 -99.200 -91.000 TRP6 70 1.020 15.909 -12.467 5.898 -99.200 -91.000 TRP 77 1.040 20.537 -5.862 3.207 -99.200 -91.000 TRP6 77 1.020 19.959 -8.058 3.906 -99.200 -91.000 HIS 78 0.900 20.700 -4.578 -6.958 -99.200 -91.000 HIS 79 0.900 18.180 2.258 -3.482 -99.200 -91.000 PHE 81 1.000 25.616 -4.571 -0.345 -99.200 -91.000 TYR 82 0.840 25.199 -3.618 -7.292 -99.200 -91.000 HIS 92 0.900 33.758 -2.339 -0.800 -99.200 -91.000 PHE 115 1.000 29.581 -15.145 3.454 -99.200 -91.000 PHE 118 1.000 22.898 -8.467 -2.302 -99.200 -91.000 TYR 124 0.840 30.939 -10.049 13.835 -99.200 -91.000 TYR 134 0.840 31.265 -3.572 22.017 -99.200 -91.000 HIS 152 0.900 14.062 -5.246 21.369 -99.200 -91.000 TYR 157 0.840 29.737 -8.513 34.151 -99.200 -91.000 TYR 160 0.840 30.852 -11.677 24.497 -99.200 -91.000 HIS 164 0.900 20.005 -14.038 31.878 -99.200 -91.000 TYR 179 0.840 -1.230 9.642 22.631 -99.200 -91.000 TYR 189 0.840 -4.543 22.618 14.906 -99.200 -91.000 PHE 191 1.000 -1.690 18.129 10.942 -99.200 -91.000 TYR 209 0.840 8.009 19.990 27.089 -99.200 -91.000 PHE 214 1.000 1.237 13.849 31.630 -99.200 -91.000 TYR 231 0.840 5.265 22.606 12.436 -99.200 -91.000 PHE 246 1.000 2.834 18.586 28.964 -99.200 -91.000 PHE 253 1.000 9.453 8.250 30.427 -99.200 -91.000 PHE 257 1.000 -0.751 9.301 28.959 -99.200 -91.000 HIS 266 0.900 8.610 4.225 34.251 -99.200 -91.000 TYR 270 0.840 13.216 -2.347 39.599 -99.200 -91.000 TYR 285 0.840 19.638 -0.267 39.546 -99.200 -91.000 PHE 297 1.000 10.012 12.155 21.877 -99.200 -91.000 TYR 328 0.840 22.829 9.379 12.013 -99.200 -91.000 TRP 331 1.040 26.557 3.294 9.985 -99.200 -91.000 TRP6 331 1.020 28.568 4.550 9.924 -99.200 -91.000 PHE 343 1.000 34.643 -7.487 13.227 -99.200 -91.000 TRP 347 1.040 36.731 -11.264 7.593 -99.200 -91.000 TRP6 347 1.020 37.654 -9.149 7.052 -99.200 -91.000 TYR 353 0.840 27.438 -19.360 2.976 -99.200 -91.000 HIS 362 0.900 22.962 -20.041 14.182 -99.200 -91.000 PHE 366 1.000 29.362 -16.425 21.351 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ci5A1 ASP 4 HA 0.02 -0.04 0.18 -0.75 4.63 4.04 3ci5A1 ASP 4 HB2 0.05 -0.02 0.10 -0.04 2.71 2.79 3ci5A1 ASP 4 HB3 0.03 -0.01 0.07 -0.04 2.70 2.75 3ci5A1 VAL 5 H 0.08 0.08 0.11 -0.55 8.24 7.96 3ci5A1 VAL 5 HA 0.01 0.15 0.63 -0.75 4.13 4.16 3ci5A1 VAL 5 HB 0.15 -0.05 0.08 -0.04 2.12 2.26 3ci5A1 VAL 5 HG13 -0.04 0.02 -0.01 -0.04 0.97 0.90 3ci5A1 VAL 5 HG23 0.07 -0.01 0.01 -0.04 0.95 0.98 3ci5A1 GLN 6 H 0.07 0.22 0.20 -0.55 8.47 8.41 3ci5A1 GLN 6 HA 0.14 0.13 0.70 -0.75 4.36 4.58 3ci5A1 GLN 6 HB2 0.13 0.06 0.02 -0.04 2.15 2.32 3ci5A1 GLN 6 HB3 0.31 -0.01 0.19 -0.04 2.02 2.46 3ci5A1 GLN 6 HG2 0.24 -0.03 -0.03 -0.04 2.40 2.54 3ci5A1 GLN 6 HG3 0.39 0.01 -0.27 -0.04 2.39 2.47 3ci5A1 GLN 6 HE21 0.17 0.44 0.08 -0.04 6.97 7.63 3ci5A1 GLN 6 HE22 0.24 0.28 0.10 -0.04 7.69 8.27 3ci5A1 ALA 7 H 0.15 0.17 0.17 -0.55 8.40 8.35 3ci5A1 ALA 7 HA 0.10 0.25 0.69 -0.75 4.34 4.63 3ci5A1 ALA 7 HB3 0.13 -0.02 -0.00 -0.04 1.41 1.47 3ci5A1 LEU 8 H 0.00 0.63 0.38 -0.55 8.37 8.83 3ci5A1 LEU 8 HA -0.11 0.21 1.05 -0.75 4.35 4.75 3ci5A1 LEU 8 HB2 -0.05 -0.10 0.07 -0.04 1.64 1.52 3ci5A1 LEU 8 HB3 -0.16 -0.02 0.07 -0.04 1.64 1.49 3ci5A1 LEU 8 HG -0.13 0.13 -0.07 -0.04 1.64 1.53 3ci5A1 LEU 8 HD13 -0.18 -0.02 -0.10 -0.04 0.93 0.59 3ci5A1 LEU 8 HD23 -0.48 0.03 -0.21 -0.04 0.89 0.19 3ci5A1 VAL 9 H -0.02 0.71 0.23 -0.55 8.24 8.61 3ci5A1 VAL 9 HA -0.11 0.23 0.93 -0.75 4.13 4.42 3ci5A1 VAL 9 HB -0.42 -0.02 -0.18 -0.04 2.12 1.46 3ci5A1 VAL 9 HG13 -0.74 -0.00 -0.25 -0.04 0.97 -0.06 3ci5A1 VAL 9 HG23 -0.33 0.00 -0.47 -0.04 0.95 0.11 3ci5A1 ILE 10 H -0.02 0.73 0.29 -0.55 8.25 8.70 3ci5A1 ILE 10 HA 0.16 0.00 1.11 -0.75 4.18 4.69 3ci5A1 ILE 10 HB -0.01 0.00 0.13 -0.04 1.89 1.97 3ci5A1 ILE 10 HG12 -0.05 0.00 -0.04 -0.04 1.49 1.36 3ci5A1 ILE 10 HG13 -0.05 0.00 -0.44 -0.04 1.21 0.69 3ci5A1 ILE 10 HG23 0.15 -0.05 -0.23 -0.04 0.93 0.76 3ci5A1 ILE 10 HD13 -0.35 0.01 -0.10 -0.04 0.88 0.40 3ci5A1 ASP 11 H 0.21 0.94 0.28 -0.55 8.40 9.28 3ci5A1 ASP 11 HA 0.09 0.09 0.86 -0.75 4.63 4.92 3ci5A1 ASP 11 HB2 0.19 0.03 -0.06 -0.04 2.71 2.83 3ci5A1 ASP 11 HB3 0.20 0.03 0.26 -0.04 2.70 3.14 3ci5A1 ASN 12 H 0.10 0.25 0.04 -0.55 8.53 8.38 3ci5A1 ASN 12 HA -0.01 0.04 0.71 -0.75 4.76 4.74 3ci5A1 ASN 12 HB2 0.13 0.07 0.15 -0.04 2.88 3.19 3ci5A1 ASN 12 HB3 -0.02 0.04 -0.07 -0.04 2.79 2.71 3ci5A1 ASN 12 HD21 0.18 0.06 -0.14 -0.04 7.03 7.08 3ci5A1 ASN 12 HD22 -0.05 -0.02 -0.08 -0.04 7.74 7.54 3ci5A1 GLY 13 H -0.06 0.29 0.21 -0.55 8.43 8.34 3ci5A1 GLY 13 HA2 -0.00 0.07 0.54 -0.51 4.01 4.11 3ci5A1 GLY 13 HA3 -0.02 0.04 0.37 -0.51 4.01 3.89 3ci5A1 SER 14 H -0.01 0.06 0.16 -0.55 8.46 8.13 3ci5A1 SER 14 HA -0.03 0.19 0.41 -0.75 4.49 4.31 3ci5A1 SER 14 HB2 -0.01 -0.29 0.11 -0.04 3.95 3.72 3ci5A1 SER 14 HB3 -0.01 0.24 0.04 -0.04 3.93 4.15 3ci5A1 GLY 15 H -0.01 -0.13 -0.09 -0.55 8.43 7.66 3ci5A1 GLY 15 HA2 0.06 0.29 0.81 -0.51 4.01 4.66 3ci5A1 GLY 15 HA3 0.01 -0.02 0.26 -0.51 4.01 3.75 3ci5A1 MET 16 H -0.04 -0.02 0.02 -0.55 8.47 7.88 3ci5A1 MET 16 HA -0.13 0.22 0.97 -0.75 4.52 4.82 3ci5A1 MET 16 HB2 -0.04 -0.10 0.02 -0.04 2.15 1.99 3ci5A1 MET 16 HB3 -0.09 0.16 -0.14 -0.04 2.03 1.92 3ci5A1 MET 16 HG2 -0.02 -0.17 -0.41 -0.04 2.63 1.99 3ci5A1 MET 16 HG3 -0.01 0.05 -0.13 -0.04 2.56 2.42 3ci5A1 MET 16 HE3 -0.02 0.04 -0.28 -0.04 2.10 1.81 3ci5A1 CYS 17 H -0.49 0.65 0.25 -0.55 8.50 8.36 3ci5A1 CYS 17 HA -0.21 0.00 0.94 -0.75 4.58 4.56 3ci5A1 CYS 17 HB2 -0.44 0.00 0.02 -0.04 2.97 2.51 3ci5A1 CYS 17 HB3 -1.66 0.00 0.05 -0.04 2.97 1.33 3ci5A1 LYS 18 H -0.08 0.56 0.33 -0.55 8.42 8.68 3ci5A1 LYS 18 HA -0.25 0.35 1.05 -0.75 4.32 4.72 3ci5A1 LYS 18 HB2 0.05 -0.13 0.22 -0.04 1.87 1.97 3ci5A1 LYS 18 HB3 -0.40 0.07 0.06 -0.04 1.79 1.48 3ci5A1 LYS 18 HG2 -0.04 -0.00 -0.00 -0.04 1.46 1.37 3ci5A1 LYS 18 HG3 -0.12 0.11 -0.10 -0.04 1.46 1.31 3ci5A1 LYS 18 HD2 -0.05 -0.02 -0.31 -0.04 1.69 1.26 3ci5A1 LYS 18 HD3 0.06 -0.09 0.04 -0.04 1.68 1.65 3ci5A1 LYS 18 HE2 0.14 0.09 0.04 -0.04 2.99 3.21 3ci5A1 LYS 18 HE3 0.06 0.03 -0.09 -0.04 2.99 2.95 3ci5A1 ALA 19 H -0.19 0.86 0.35 -0.55 8.40 8.87 3ci5A1 ALA 19 HA 0.18 0.27 1.19 -0.75 4.34 5.22 3ci5A1 ALA 19 HB3 0.03 0.00 -0.02 -0.04 1.41 1.37 3ci5A1 GLY 20 H 0.19 0.57 0.36 -0.55 8.43 9.01 3ci5A1 GLY 20 HA2 -0.20 0.14 0.50 -0.51 4.01 3.94 3ci5A1 GLY 20 HA3 0.12 -0.04 0.48 -0.51 4.01 4.06 3ci5A1 PHE 21 H 0.46 0.20 0.18 -0.55 8.34 8.62 3ci5A1 PHE 21 HA 0.09 0.23 0.89 -0.75 4.62 5.07 3ci5A1 PHE 21 HB2 0.11 -0.07 0.11 -0.04 3.15 3.25 3ci5A1 PHE 21 HB3 0.07 0.19 -0.00 -0.04 3.06 3.27 3ci5A1 PHE 21 HD2 0.01 0.00 -0.01 -0.04 7.28 7.25 3ci5A1 PHE 21 HE2 -0.10 0.04 -0.04 -0.04 7.38 7.24 3ci5A1 PHE 21 HZ -0.06 0.30 -0.03 -0.04 7.32 7.49 3ci5A1 ALA 22 H 0.10 0.66 0.17 -0.55 8.40 8.79 3ci5A1 ALA 22 HA -0.12 -0.09 0.43 -0.75 4.34 3.81 3ci5A1 ALA 22 HB3 -0.01 0.01 -0.09 -0.04 1.41 1.27 3ci5A1 GLY 23 H -0.04 0.12 0.13 -0.55 8.43 8.10 3ci5A1 GLY 23 HA2 0.02 -0.01 0.27 -0.51 4.01 3.78 3ci5A1 GLY 23 HA3 0.05 0.18 0.62 -0.51 4.01 4.36 3ci5A1 ASP 24 H 0.24 0.44 -0.25 -0.55 8.40 8.28 3ci5A1 ASP 24 HA 0.14 0.14 0.75 -0.75 4.63 4.90 3ci5A1 ASP 24 HB2 0.49 0.07 0.10 -0.04 2.71 3.33 3ci5A1 ASP 24 HB3 0.19 -0.09 0.07 -0.04 2.70 2.83 3ci5A1 ASP 25 H 0.12 0.17 0.11 -0.55 8.40 8.25 3ci5A1 ASP 25 HA 0.22 0.16 0.53 -0.75 4.63 4.78 3ci5A1 ASP 25 HB2 0.11 -0.03 0.10 -0.04 2.71 2.85 3ci5A1 ASP 25 HB3 0.09 0.06 0.03 -0.04 2.70 2.84 3ci5A1 ALA 26 H 0.09 0.18 -0.27 -0.55 8.40 7.85 3ci5A1 ALA 26 HA -0.21 0.08 0.53 -0.75 4.34 3.98 3ci5A1 ALA 26 HB3 -0.13 0.03 -0.12 -0.04 1.41 1.15 3ci5A1 PRO 27 HA -1.49 0.02 0.38 -0.51 4.44 2.84 3ci5A1 PRO 27 HB2 -0.78 0.13 -0.08 -0.04 2.28 1.50 3ci5A1 PRO 27 HB3 -1.99 -0.08 -0.16 -0.04 2.02 -0.26 3ci5A1 PRO 27 HG2 -1.09 0.08 -0.03 -0.04 2.03 0.96 3ci5A1 PRO 27 HG3 -1.20 -0.09 -0.00 -0.04 2.03 0.69 3ci5A1 PRO 27 HD2 -1.04 0.12 0.13 -0.04 3.68 2.85 3ci5A1 PRO 27 HD3 -1.13 0.04 0.02 -0.04 3.65 2.55 3ci5A1 ARG 28 H -0.27 0.09 0.40 -0.55 8.46 8.14 3ci5A1 ARG 28 HA -0.11 0.10 0.57 -0.75 4.34 4.15 3ci5A1 ARG 28 HB2 0.01 -0.01 0.14 -0.04 1.90 1.99 3ci5A1 ARG 28 HB3 0.04 0.08 0.05 -0.04 1.80 1.93 3ci5A1 ARG 28 HG2 0.14 -0.07 0.15 -0.04 1.67 1.85 3ci5A1 ARG 28 HG3 0.49 0.02 0.09 -0.04 1.67 2.23 3ci5A1 ARG 28 HD2 0.09 0.07 0.05 -0.04 3.22 3.38 3ci5A1 ARG 28 HD3 0.02 -0.00 0.07 -0.04 3.22 3.26 3ci5A1 ALA 29 H -0.20 0.47 0.07 -0.55 8.40 8.20 3ci5A1 ALA 29 HA 0.00 0.22 0.93 -0.75 4.34 4.74 3ci5A1 ALA 29 HB3 0.08 0.01 -0.07 -0.04 1.41 1.39 3ci5A1 VAL 30 H 0.05 0.34 0.10 -0.55 8.24 8.19 3ci5A1 VAL 30 HA -0.14 0.28 0.98 -0.75 4.13 4.50 3ci5A1 VAL 30 HB -0.01 0.05 0.10 -0.04 2.12 2.22 3ci5A1 VAL 30 HG13 0.01 -0.03 -0.12 -0.04 0.97 0.80 3ci5A1 VAL 30 HG23 -0.28 -0.01 -0.20 -0.04 0.95 0.43 3ci5A1 PHE 31 H -0.45 0.49 0.27 -0.55 8.34 8.09 3ci5A1 PHE 31 HA -0.01 0.20 0.77 -0.75 4.62 4.82 3ci5A1 PHE 31 HB2 -0.00 -0.12 0.15 -0.04 3.15 3.14 3ci5A1 PHE 31 HB3 0.00 0.14 -0.18 -0.04 3.06 2.98 3ci5A1 PHE 31 HD2 -0.03 0.07 -0.29 -0.04 7.28 6.98 3ci5A1 PHE 31 HE2 -0.02 0.01 -0.13 -0.04 7.38 7.20 3ci5A1 PHE 31 HZ 0.02 0.02 -0.11 -0.04 7.32 7.22 3ci5A1 PRO 32 HA -0.04 0.25 0.66 -0.51 4.44 4.79 3ci5A1 PRO 32 HB2 -0.01 -0.04 -0.02 -0.04 2.28 2.17 3ci5A1 PRO 32 HB3 0.02 0.11 0.07 -0.04 2.02 2.18 3ci5A1 PRO 32 HG2 0.03 0.08 -0.11 -0.04 2.03 1.99 3ci5A1 PRO 32 HG3 0.03 0.10 0.04 -0.04 2.03 2.16 3ci5A1 PRO 32 HD2 0.16 -0.04 0.16 -0.04 3.68 3.92 3ci5A1 PRO 32 HD3 0.09 0.23 0.19 -0.04 3.65 4.12 3ci5A1 SER 33 H -0.07 0.53 0.01 -0.55 8.46 8.39 3ci5A1 SER 33 HA -0.07 0.00 0.57 -0.75 4.49 4.23 3ci5A1 SER 33 HB2 -0.12 0.03 0.01 -0.04 3.95 3.84 3ci5A1 SER 33 HB3 -0.15 0.03 -0.16 -0.04 3.93 3.62 3ci5A1 ILE 34 H -0.07 0.49 0.07 -0.55 8.25 8.19 3ci5A1 ILE 34 HA -0.40 0.00 0.99 -0.75 4.18 4.02 3ci5A1 ILE 34 HB -0.18 0.00 -0.05 -0.04 1.89 1.62 3ci5A1 ILE 34 HG12 -1.16 0.00 -0.21 -0.04 1.49 0.07 3ci5A1 ILE 34 HG13 -0.24 -0.22 -0.59 -0.04 1.21 0.11 3ci5A1 ILE 34 HG23 -0.35 0.01 -0.31 -0.04 0.93 0.24 3ci5A1 ILE 34 HD13 -0.09 0.01 -0.12 -0.04 0.88 0.64 3ci5A1 VAL 35 H -0.22 0.71 0.34 -0.55 8.24 8.52 3ci5A1 VAL 35 HA -0.13 0.18 0.92 -0.75 4.13 4.34 3ci5A1 VAL 35 HB -0.10 -0.04 0.11 -0.04 2.12 2.05 3ci5A1 VAL 35 HG13 -0.06 0.03 -0.11 -0.04 0.97 0.78 3ci5A1 VAL 35 HG23 -0.10 -0.01 -0.10 -0.04 0.95 0.70 3ci5A1 GLY 36 H -0.10 0.23 0.15 -0.55 8.43 8.17 3ci5A1 GLY 36 HA2 -0.08 0.34 0.96 -0.51 4.01 4.72 3ci5A1 GLY 36 HA3 -0.07 0.01 0.18 -0.51 4.01 3.61 3ci5A1 ARG 37 H -0.05 0.54 0.27 -0.55 8.46 8.67 3ci5A1 ARG 37 HA -0.03 0.29 0.86 -0.75 4.34 4.70 3ci5A1 ARG 37 HB2 -0.03 -0.08 0.03 -0.04 1.90 1.78 3ci5A1 ARG 37 HB3 -0.02 0.15 0.07 -0.04 1.80 1.96 3ci5A1 ARG 37 HG2 -0.03 0.23 0.08 -0.04 1.67 1.91 3ci5A1 ARG 37 HG3 -0.04 -0.19 -0.36 -0.04 1.67 1.04 3ci5A1 ARG 37 HD2 -0.02 -0.07 -0.07 -0.04 3.22 3.02 3ci5A1 ARG 37 HD3 -0.02 0.09 -0.00 -0.04 3.22 3.25 3ci5A1 PRO 38 HA -0.03 0.14 0.56 -0.51 4.44 4.60 3ci5A1 PRO 38 HB2 -0.00 -0.04 0.08 -0.04 2.28 2.28 3ci5A1 PRO 38 HB3 0.00 0.09 0.13 -0.04 2.02 2.19 3ci5A1 PRO 38 HG2 -0.01 0.02 0.08 -0.04 2.03 2.07 3ci5A1 PRO 38 HG3 -0.01 0.26 0.12 -0.04 2.03 2.37 3ci5A1 PRO 38 HD2 -0.02 0.10 0.23 -0.04 3.68 3.95 3ci5A1 PRO 38 HD3 -0.02 0.15 0.06 -0.04 3.65 3.80 3ci5A1 ARG 39 H -0.07 0.49 0.29 -0.55 8.46 8.62 3ci5A1 ARG 39 HA -0.12 0.00 0.32 -0.75 4.34 3.79 3ci5A1 ARG 39 HB2 -0.14 0.00 -0.45 -0.04 1.90 1.27 3ci5A1 ARG 39 HB3 -0.28 0.00 -0.07 -0.04 1.80 1.41 3ci5A1 ARG 39 HG2 -0.66 -0.02 -0.23 -0.04 1.67 0.72 3ci5A1 ARG 39 HG3 -0.20 -0.08 -0.07 -0.04 1.67 1.27 3ci5A1 ARG 39 HD2 -0.25 0.00 -0.12 -0.04 3.22 2.81 3ci5A1 ARG 39 HD3 -0.17 -0.06 -0.07 -0.04 3.22 2.87 3ci5A1 HIS 40 H -0.04 0.19 -0.04 -0.55 8.41 7.97 3ci5A1 HIS 40 HA 0.00 0.17 0.86 -0.75 4.63 4.91 3ci5A1 HIS 40 HB2 0.00 0.03 0.04 -0.04 3.26 3.29 3ci5A1 HIS 40 HB3 0.00 0.00 -0.03 -0.04 3.20 3.13 3ci5A1 HIS 40 HD2 0.00 0.04 -0.01 -0.04 6.97 6.95 3ci5A1 HIS 40 HE1 0.00 0.02 -0.04 -0.04 7.75 7.68 3ci5A1 THR 41 H 0.10 0.16 0.00 -0.55 8.28 8.00 3ci5A1 THR 41 HA 0.03 0.23 0.65 -0.75 4.39 4.55 3ci5A1 THR 41 HB 0.02 0.02 0.11 -0.04 4.32 4.43 3ci5A1 THR 41 HG23 0.03 0.02 -0.08 -0.04 1.22 1.14 3ci5A1 GLY 42 H 0.05 0.39 -0.48 -0.55 8.43 7.84 3ci5A1 GLY 42 HA2 0.01 0.21 0.60 -0.51 4.01 4.32 3ci5A1 GLY 42 HA3 0.02 0.03 0.09 -0.51 4.01 3.65 3ci5A1 MET 47 HA 0.00 -0.07 0.25 -0.75 4.52 3.95 3ci5A1 MET 47 HB2 0.00 0.03 0.05 -0.04 2.15 2.19 3ci5A1 MET 47 HB3 0.00 0.01 0.03 -0.04 2.03 2.03 3ci5A1 MET 47 HG2 0.00 -0.00 -0.13 -0.04 2.63 2.46 3ci5A1 MET 47 HG3 0.00 -0.19 0.06 -0.04 2.56 2.39 3ci5A1 MET 47 HE3 0.00 -0.00 -0.02 -0.04 2.10 2.04 3ci5A1 GLY 48 H 0.00 -0.12 0.17 -0.55 8.43 7.94 3ci5A1 GLY 48 HA2 -0.01 0.01 0.21 -0.51 4.01 3.71 3ci5A1 GLY 48 HA3 -0.00 0.15 -0.26 -0.51 4.01 3.38 3ci5A1 GLN 49 H -0.00 -0.09 0.22 -0.55 8.47 8.05 3ci5A1 GLN 49 HA 0.00 0.22 0.10 -0.75 4.36 3.93 3ci5A1 GLN 49 HB2 0.00 0.09 0.07 -0.04 2.15 2.27 3ci5A1 GLN 49 HB3 0.00 -0.09 0.14 -0.04 2.02 2.04 3ci5A1 GLN 49 HG2 0.00 0.02 -0.16 -0.04 2.40 2.23 3ci5A1 GLN 49 HG3 0.00 0.02 -0.01 -0.04 2.39 2.36 3ci5A1 GLN 49 HE21 0.00 -0.01 -0.04 -0.04 6.97 6.88 3ci5A1 GLN 49 HE22 0.00 0.02 -0.15 -0.04 7.69 7.52 3ci5A1 LYS 50 H -0.00 -0.10 0.01 -0.55 8.42 7.77 3ci5A1 LYS 50 HA -0.00 0.06 0.53 -0.75 4.32 4.15 3ci5A1 LYS 50 HB2 -0.00 -0.00 0.01 -0.04 1.87 1.83 3ci5A1 LYS 50 HB3 -0.00 -0.03 0.04 -0.04 1.79 1.75 3ci5A1 LYS 50 HG2 0.00 0.02 0.07 -0.04 1.46 1.51 3ci5A1 LYS 50 HG3 0.00 -0.06 0.05 -0.04 1.46 1.41 3ci5A1 LYS 50 HD2 0.01 -0.01 0.05 -0.04 1.69 1.69 3ci5A1 LYS 50 HD3 0.01 0.01 0.02 -0.04 1.68 1.68 3ci5A1 LYS 50 HE2 0.01 -0.04 0.00 -0.04 2.99 2.93 3ci5A1 LYS 50 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.92 3ci5A1 ASP 51 H -0.01 0.08 0.17 -0.55 8.40 8.09 3ci5A1 ASP 51 HA -0.01 0.15 0.38 -0.75 4.63 4.40 3ci5A1 ASP 51 HB2 -0.02 -0.05 0.12 -0.04 2.71 2.72 3ci5A1 ASP 51 HB3 -0.01 -0.01 0.04 -0.04 2.70 2.67 3ci5A1 SER 52 H -0.01 0.14 -0.22 -0.55 8.46 7.82 3ci5A1 SER 52 HA -0.03 0.37 0.49 -0.75 4.49 4.56 3ci5A1 SER 52 HB2 -0.04 -0.02 0.07 -0.04 3.95 3.92 3ci5A1 SER 52 HB3 -0.02 0.08 -0.21 -0.04 3.93 3.73 3ci5A1 VAL 54 HA -0.19 0.06 0.44 -0.75 4.13 3.68 3ci5A1 VAL 54 HB -1.06 0.00 0.04 -0.04 2.12 1.06 3ci5A1 VAL 54 HG13 -0.17 -0.00 -0.03 -0.04 0.97 0.73 3ci5A1 VAL 54 HG23 -0.09 0.02 -0.12 -0.04 0.95 0.72 3ci5A1 GLY 55 H -0.10 0.36 0.27 -0.55 8.43 8.41 3ci5A1 GLY 55 HA2 0.15 0.25 0.43 -0.51 4.01 4.33 3ci5A1 GLY 55 HA3 -0.04 0.04 0.29 -0.51 4.01 3.79 3ci5A1 ASP 56 H 0.03 0.21 0.24 -0.55 8.40 8.33 3ci5A1 ASP 56 HA 0.02 0.01 0.40 -0.75 4.63 4.31 3ci5A1 ASP 56 HB2 0.01 0.06 0.17 -0.04 2.71 2.92 3ci5A1 ASP 56 HB3 0.02 0.05 0.06 -0.04 2.70 2.78 3ci5A1 GLU 57 H -0.05 0.27 -0.11 -0.55 8.60 8.16 3ci5A1 GLU 57 HA -0.02 0.05 0.33 -0.75 4.29 3.90 3ci5A1 GLU 57 HB2 -0.02 0.01 0.08 -0.04 2.09 2.12 3ci5A1 GLU 57 HB3 -0.05 0.16 -0.03 -0.04 1.99 2.03 3ci5A1 GLU 57 HG2 -0.02 -0.02 -0.13 -0.04 2.34 2.13 3ci5A1 GLU 57 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.29 3ci5A1 ALA 58 H -0.09 0.27 -0.58 -0.55 8.40 7.46 3ci5A1 ALA 58 HA -0.06 0.11 0.28 -0.75 4.34 3.92 3ci5A1 ALA 58 HB3 -0.11 0.04 -0.16 -0.04 1.41 1.15 3ci5A1 GLN 59 H -0.04 0.47 -0.24 -0.55 8.47 8.12 3ci5A1 GLN 59 HA -0.03 0.01 0.31 -0.75 4.36 3.90 3ci5A1 GLN 59 HB2 -0.02 -0.06 0.03 -0.04 2.15 2.06 3ci5A1 GLN 59 HB3 -0.00 0.14 0.13 -0.04 2.02 2.24 3ci5A1 GLN 59 HG2 0.02 -0.01 -0.05 -0.04 2.40 2.31 3ci5A1 GLN 59 HG3 0.01 0.02 -0.27 -0.04 2.39 2.11 3ci5A1 GLN 59 HE21 0.04 -0.02 -0.05 -0.04 6.97 6.90 3ci5A1 GLN 59 HE22 0.03 0.02 -0.07 -0.04 7.69 7.63 3ci5A1 SER 60 H -0.01 0.52 -0.21 -0.55 8.46 8.21 3ci5A1 SER 60 HA 0.00 0.00 0.34 -0.75 4.49 4.08 3ci5A1 SER 60 HB2 0.00 0.00 0.06 -0.04 3.95 3.97 3ci5A1 SER 60 HB3 0.00 0.00 0.09 -0.04 3.93 3.97 3ci5A1 LYS 61 H -0.02 0.46 -0.39 -0.55 8.42 7.91 3ci5A1 LYS 61 HA -0.01 0.13 0.74 -0.75 4.32 4.43 3ci5A1 LYS 61 HB2 -0.02 0.11 0.05 -0.04 1.87 1.96 3ci5A1 LYS 61 HB3 -0.02 -0.05 0.12 -0.04 1.79 1.80 3ci5A1 LYS 61 HG2 -0.01 0.01 -0.03 -0.04 1.46 1.40 3ci5A1 LYS 61 HG3 -0.01 -0.00 -0.07 -0.04 1.46 1.34 3ci5A1 LYS 61 HD2 -0.02 -0.00 -0.08 -0.04 1.69 1.55 3ci5A1 LYS 61 HD3 -0.01 0.01 0.01 -0.04 1.68 1.65 3ci5A1 LYS 61 HE2 -0.00 0.03 -0.02 -0.04 2.99 2.95 3ci5A1 LYS 61 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 3ci5A1 ARG 62 H -0.01 0.33 -0.56 -0.55 8.46 7.67 3ci5A1 ARG 62 HA -0.02 0.05 0.28 -0.75 4.34 3.89 3ci5A1 ARG 62 HB2 0.00 -0.06 0.08 -0.04 1.90 1.88 3ci5A1 ARG 62 HB3 -0.01 0.07 0.12 -0.04 1.80 1.94 3ci5A1 ARG 62 HG2 0.00 0.10 0.03 -0.04 1.67 1.76 3ci5A1 ARG 62 HG3 0.01 -0.04 -0.16 -0.04 1.67 1.44 3ci5A1 ARG 62 HD2 0.02 -0.09 0.01 -0.04 3.22 3.12 3ci5A1 ARG 62 HD3 0.02 0.09 0.07 -0.04 3.22 3.35 3ci5A1 GLY 63 H -0.00 0.11 -0.43 -0.55 8.43 7.56 3ci5A1 GLY 63 HA2 0.00 0.03 0.47 -0.51 4.01 4.00 3ci5A1 GLY 63 HA3 0.00 0.02 0.26 -0.51 4.01 3.78 3ci5A1 ILE 64 H -0.01 0.46 -0.20 -0.55 8.25 7.95 3ci5A1 ILE 64 HA -0.01 0.19 0.91 -0.75 4.18 4.51 3ci5A1 ILE 64 HB -0.00 -0.02 0.11 -0.04 1.89 1.94 3ci5A1 ILE 64 HG12 -0.01 -0.06 0.03 -0.04 1.49 1.41 3ci5A1 ILE 64 HG13 -0.01 0.04 -0.19 -0.04 1.21 1.00 3ci5A1 ILE 64 HG23 0.01 -0.00 -0.15 -0.04 0.93 0.74 3ci5A1 ILE 64 HD13 -0.00 -0.01 -0.09 -0.04 0.88 0.74 3ci5A1 LEU 65 H -0.03 0.26 -0.12 -0.55 8.37 7.93 3ci5A1 LEU 65 HA -0.05 0.20 0.88 -0.75 4.35 4.63 3ci5A1 LEU 65 HB2 -0.04 -0.03 -0.19 -0.04 1.64 1.34 3ci5A1 LEU 65 HB3 -0.05 -0.08 -0.19 -0.04 1.64 1.28 3ci5A1 LEU 65 HG -0.03 0.09 -0.28 -0.04 1.64 1.38 3ci5A1 LEU 65 HD13 -0.04 -0.01 -0.22 -0.04 0.93 0.61 3ci5A1 LEU 65 HD23 -0.03 0.02 -0.43 -0.04 0.89 0.41 3ci5A1 THR 66 H -0.06 0.71 0.20 -0.55 8.28 8.59 3ci5A1 THR 66 HA -0.04 0.00 0.91 -0.75 4.39 4.50 3ci5A1 THR 66 HB -0.06 0.00 0.10 -0.04 4.32 4.32 3ci5A1 THR 66 HG23 -0.04 0.06 -0.03 -0.04 1.22 1.17 3ci5A1 LEU 67 H -0.01 0.20 0.11 -0.55 8.37 8.13 3ci5A1 LEU 67 HA -0.09 0.24 0.76 -0.75 4.35 4.51 3ci5A1 LEU 67 HB2 0.05 -0.01 0.02 -0.04 1.64 1.66 3ci5A1 LEU 67 HB3 -0.21 -0.05 -0.13 -0.04 1.64 1.21 3ci5A1 LEU 67 HG -0.01 0.09 -0.09 -0.04 1.64 1.59 3ci5A1 LEU 67 HD13 -0.01 -0.01 -0.11 -0.04 0.93 0.76 3ci5A1 LEU 67 HD23 -0.08 0.02 -0.41 -0.04 0.89 0.38 3ci5A1 LYS 68 H -0.17 0.61 0.37 -0.55 8.42 8.67 3ci5A1 LYS 68 HA 0.07 0.18 0.88 -0.75 4.32 4.70 3ci5A1 LYS 68 HB2 -0.08 -0.04 0.08 -0.04 1.87 1.79 3ci5A1 LYS 68 HB3 -0.03 -0.05 -0.05 -0.04 1.79 1.63 3ci5A1 LYS 68 HG2 -0.00 0.10 -0.25 -0.04 1.46 1.28 3ci5A1 LYS 68 HG3 -0.04 0.09 -0.25 -0.04 1.46 1.22 3ci5A1 LYS 68 HD2 -0.02 0.06 -0.10 -0.04 1.69 1.60 3ci5A1 LYS 68 HD3 -0.03 -0.07 -0.08 -0.04 1.68 1.45 3ci5A1 LYS 68 HE2 -0.02 -0.07 -0.07 -0.04 2.99 2.79 3ci5A1 LYS 68 HE3 -0.00 0.05 -0.05 -0.04 2.99 2.95 3ci5A1 TYR 69 H 0.23 0.26 0.06 -0.55 8.29 8.29 3ci5A1 TYR 69 HA -0.08 0.28 0.97 -0.75 4.56 4.98 3ci5A1 TYR 69 HB2 -0.06 -0.01 0.21 -0.04 3.06 3.17 3ci5A1 TYR 69 HB3 -0.06 0.13 0.16 -0.04 2.98 3.17 3ci5A1 TYR 69 HD2 -0.04 0.04 -0.04 -0.04 7.15 7.07 3ci5A1 TYR 69 HE2 -0.03 0.02 -0.12 -0.04 6.85 6.68 3ci5A1 PRO 70 HA -0.11 0.13 0.36 -0.51 4.44 4.31 3ci5A1 PRO 70 HB2 -0.28 -0.03 0.03 -0.04 2.28 1.95 3ci5A1 PRO 70 HB3 -0.17 -0.00 0.02 -0.04 2.02 1.83 3ci5A1 PRO 70 HG2 -0.22 0.02 -0.15 -0.04 2.03 1.64 3ci5A1 PRO 70 HG3 -0.19 0.04 -0.26 -0.04 2.03 1.58 3ci5A1 PRO 70 HD2 -0.13 0.29 0.11 -0.04 3.68 3.91 3ci5A1 PRO 70 HD3 -0.14 0.17 -0.11 -0.04 3.65 3.53 3ci5A1 ILE 71 H -0.07 0.22 -0.36 -0.55 8.25 7.49 3ci5A1 ILE 71 HA -0.15 0.23 0.81 -0.75 4.18 4.32 3ci5A1 ILE 71 HB -0.08 0.02 -0.07 -0.04 1.89 1.72 3ci5A1 ILE 71 HG12 -0.24 0.01 -0.32 -0.04 1.49 0.89 3ci5A1 ILE 71 HG13 -0.23 -0.13 -0.44 -0.04 1.21 0.38 3ci5A1 ILE 71 HG23 -0.06 0.00 -0.62 -0.04 0.93 0.21 3ci5A1 ILE 71 HD13 -0.16 0.04 -0.29 -0.04 0.88 0.43 3ci5A1 GLU 72 H -0.07 0.79 0.03 -0.55 8.60 8.79 3ci5A1 GLU 72 HA -0.03 0.15 0.76 -0.75 4.29 4.42 3ci5A1 GLU 72 HB2 -0.04 0.08 -0.14 -0.04 2.09 1.95 3ci5A1 GLU 72 HB3 -0.04 0.06 0.05 -0.04 1.99 2.02 3ci5A1 GLU 72 HG2 -0.03 0.05 0.02 -0.04 2.34 2.34 3ci5A1 GLU 72 HG3 -0.03 -0.03 0.07 -0.04 2.34 2.32 3ci5A1 GLY 74 HA2 0.01 -0.08 0.14 -0.51 4.01 3.57 3ci5A1 GLY 74 HA3 0.04 -0.07 0.28 -0.51 4.01 3.75 3ci5A1 ILE 75 H -0.01 0.60 0.27 -0.55 8.25 8.56 3ci5A1 ILE 75 HA 0.01 0.07 0.88 -0.75 4.18 4.38 3ci5A1 ILE 75 HB -0.00 0.13 0.15 -0.04 1.89 2.12 3ci5A1 ILE 75 HG12 0.04 -0.01 0.03 -0.04 1.49 1.51 3ci5A1 ILE 75 HG13 0.04 0.05 0.01 -0.04 1.21 1.27 3ci5A1 ILE 75 HG23 0.04 0.04 -0.03 -0.04 0.93 0.94 3ci5A1 ILE 75 HD13 0.05 0.01 -0.17 -0.04 0.88 0.73 3ci5A1 VAL 76 H -0.11 0.10 0.14 -0.55 8.24 7.82 3ci5A1 VAL 76 HA -0.37 0.14 0.58 -0.75 4.13 3.72 3ci5A1 VAL 76 HB -1.02 -0.01 0.10 -0.04 2.12 1.14 3ci5A1 VAL 76 HG13 -1.70 -0.01 -0.23 -0.04 0.97 -1.02 3ci5A1 VAL 76 HG23 -0.39 0.01 -0.03 -0.04 0.95 0.49 3ci5A1 THR 77 H -0.30 0.76 0.42 -0.55 8.28 8.61 3ci5A1 THR 77 HA -0.15 0.22 1.02 -0.75 4.39 4.73 3ci5A1 THR 77 HB -0.06 -0.00 0.12 -0.04 4.32 4.33 3ci5A1 THR 77 HG23 -0.07 0.03 -0.09 -0.04 1.22 1.05 3ci5A1 ASN 78 H -0.41 0.20 0.10 -0.55 8.53 7.88 3ci5A1 ASN 78 HA -0.10 0.21 0.78 -0.75 4.76 4.90 3ci5A1 ASN 78 HB2 -0.09 0.16 -0.10 -0.04 2.88 2.81 3ci5A1 ASN 78 HB3 -0.14 -0.09 0.15 -0.04 2.79 2.67 3ci5A1 ASN 78 HD21 -0.00 0.06 -0.00 -0.04 7.03 7.04 3ci5A1 ASN 78 HD22 -0.02 0.10 -0.01 -0.04 7.74 7.77 3ci5A1 TRP 79 H 0.12 0.29 0.05 -0.55 7.97 7.88 3ci5A1 TRP 79 HA -0.04 0.05 0.34 -0.75 4.62 4.22 3ci5A1 TRP 79 HB2 0.04 0.07 0.06 -0.04 3.23 3.36 3ci5A1 TRP 79 HB3 0.07 0.06 -0.01 -0.04 3.23 3.31 3ci5A1 TRP 79 HD1 0.03 0.07 -0.06 -0.04 7.22 7.22 3ci5A1 TRP 79 HE1 0.05 0.07 -0.09 -0.04 10.20 10.19 3ci5A1 TRP 79 HE3 0.12 -0.02 -0.05 -0.04 7.59 7.60 3ci5A1 TRP 79 HZ2 0.09 -0.02 0.04 -0.04 7.44 7.51 3ci5A1 TRP 79 HZ3 0.45 0.00 -0.08 -0.04 7.13 7.46 3ci5A1 TRP 79 HH2 0.19 0.03 0.01 -0.04 7.19 7.39 3ci5A1 ASP 80 H 0.13 0.13 -0.08 -0.55 8.40 8.03 3ci5A1 ASP 80 HA 0.12 0.15 0.46 -0.75 4.63 4.60 3ci5A1 ASP 80 HB2 0.04 -0.05 0.06 -0.04 2.71 2.73 3ci5A1 ASP 80 HB3 0.04 0.10 -0.03 -0.04 2.70 2.77 3ci5A1 ASP 81 H -0.03 0.08 -0.25 -0.55 8.40 7.66 3ci5A1 ASP 81 HA -0.04 0.14 0.44 -0.75 4.63 4.42 3ci5A1 ASP 81 HB2 -0.12 0.06 0.04 -0.04 2.71 2.65 3ci5A1 ASP 81 HB3 -0.11 -0.02 -0.06 -0.04 2.70 2.47 3ci5A1 MET 82 H -0.18 0.40 -0.16 -0.55 8.47 7.99 3ci5A1 MET 82 HA -0.44 -0.00 0.37 -0.75 4.52 3.69 3ci5A1 MET 82 HB2 -0.58 0.05 0.04 -0.04 2.15 1.62 3ci5A1 MET 82 HB3 -0.29 0.08 0.06 -0.04 2.03 1.84 3ci5A1 MET 82 HG2 -1.02 -0.00 -0.07 -0.04 2.63 1.49 3ci5A1 MET 82 HG3 -2.15 -0.00 -0.14 -0.04 2.56 0.23 3ci5A1 MET 82 HE3 -0.97 -0.02 -0.05 -0.04 2.10 1.02 3ci5A1 GLU 83 H 0.08 0.57 -0.23 -0.55 8.60 8.47 3ci5A1 GLU 83 HA 0.61 -0.01 0.42 -0.75 4.29 4.55 3ci5A1 GLU 83 HB2 0.27 0.12 0.16 -0.04 2.09 2.60 3ci5A1 GLU 83 HB3 0.19 0.13 0.07 -0.04 1.99 2.34 3ci5A1 GLU 83 HG2 0.24 0.02 -0.05 -0.04 2.34 2.51 3ci5A1 GLU 83 HG3 0.42 -0.06 0.03 -0.04 2.34 2.69 3ci5A1 LYS 84 H 0.07 0.36 -0.30 -0.55 8.42 7.99 3ci5A1 LYS 84 HA 0.18 0.06 0.42 -0.75 4.32 4.22 3ci5A1 LYS 84 HB2 -0.00 0.07 0.14 -0.04 1.87 2.03 3ci5A1 LYS 84 HB3 0.03 -0.02 -0.01 -0.04 1.79 1.75 3ci5A1 LYS 84 HG2 0.03 -0.01 -0.01 -0.04 1.46 1.43 3ci5A1 LYS 84 HG3 0.03 0.23 0.05 -0.04 1.46 1.73 3ci5A1 LYS 84 HD2 -0.01 -0.06 -0.08 -0.04 1.69 1.49 3ci5A1 LYS 84 HD3 -0.01 -0.01 -0.06 -0.04 1.68 1.56 3ci5A1 LYS 84 HE2 0.00 -0.01 -0.08 -0.04 2.99 2.87 3ci5A1 LYS 84 HE3 -0.01 0.04 -0.10 -0.04 2.99 2.88 3ci5A1 ILE 85 H -0.05 0.48 -0.18 -0.55 8.25 7.95 3ci5A1 ILE 85 HA 0.06 0.04 0.41 -0.75 4.18 3.94 3ci5A1 ILE 85 HB -0.32 0.11 0.12 -0.04 1.89 1.76 3ci5A1 ILE 85 HG12 -0.04 -0.01 -0.09 -0.04 1.49 1.31 3ci5A1 ILE 85 HG13 -0.11 0.21 -0.05 -0.04 1.21 1.21 3ci5A1 ILE 85 HG23 0.02 -0.03 -0.18 -0.04 0.93 0.70 3ci5A1 ILE 85 HD13 -0.17 -0.05 -0.22 -0.04 0.88 0.40 3ci5A1 TRP 86 H 0.05 0.61 -0.10 -0.55 7.97 7.99 3ci5A1 TRP 86 HA -0.31 -0.04 0.40 -0.75 4.62 3.92 3ci5A1 TRP 86 HB2 0.15 0.12 0.11 -0.04 3.23 3.58 3ci5A1 TRP 86 HB3 -0.53 0.01 -0.03 -0.04 3.23 2.63 3ci5A1 TRP 86 HD1 -0.24 -0.04 -0.08 -0.04 7.22 6.82 3ci5A1 TRP 86 HE1 -0.04 -0.08 -0.07 -0.04 10.20 9.97 3ci5A1 TRP 86 HE3 0.42 0.05 -0.12 -0.04 7.59 7.90 3ci5A1 TRP 86 HZ2 0.11 -0.02 -0.02 -0.04 7.44 7.46 3ci5A1 TRP 86 HZ3 0.43 -0.00 -0.07 -0.04 7.13 7.44 3ci5A1 TRP 86 HH2 0.48 -0.07 -0.02 -0.04 7.19 7.54 3ci5A1 HIS 87 H 0.52 0.59 -0.21 -0.55 8.41 8.76 3ci5A1 HIS 87 HA 0.52 0.03 0.37 -0.75 4.63 4.80 3ci5A1 HIS 87 HB2 0.58 0.06 0.10 -0.04 3.26 3.97 3ci5A1 HIS 87 HB3 0.31 0.07 0.16 -0.04 3.20 3.69 3ci5A1 HIS 87 HD2 0.46 0.02 0.00 -0.04 6.97 7.41 3ci5A1 HIS 87 HE1 -0.10 0.02 -0.04 -0.04 7.75 7.58 3ci5A1 HIS 88 H 0.36 0.55 -0.16 -0.55 8.41 8.60 3ci5A1 HIS 88 HA 0.13 0.03 0.41 -0.75 4.63 4.45 3ci5A1 HIS 88 HB2 0.07 0.07 0.09 -0.04 3.26 3.45 3ci5A1 HIS 88 HB3 0.01 0.08 0.14 -0.04 3.20 3.39 3ci5A1 HIS 88 HD2 -0.65 -0.06 -0.23 -0.04 6.97 5.99 3ci5A1 HIS 88 HE1 -0.12 0.03 -0.00 -0.04 7.75 7.61 3ci5A1 THR 89 H 0.06 0.60 -0.17 -0.55 8.28 8.21 3ci5A1 THR 89 HA -0.15 -0.06 0.41 -0.75 4.39 3.84 3ci5A1 THR 89 HB -0.36 0.15 0.14 -0.04 4.32 4.21 3ci5A1 THR 89 HG23 -0.08 -0.03 -0.14 -0.04 1.22 0.93 3ci5A1 PHE 90 H -0.31 0.62 -0.13 -0.55 8.34 7.96 3ci5A1 PHE 90 HA -0.29 -0.02 0.34 -0.75 4.62 3.90 3ci5A1 PHE 90 HB2 -0.47 0.10 0.21 -0.04 3.15 2.95 3ci5A1 PHE 90 HB3 -0.64 0.07 -0.01 -0.04 3.06 2.44 3ci5A1 PHE 90 HD2 -0.59 0.01 -0.08 -0.04 7.28 6.57 3ci5A1 PHE 90 HE2 -0.86 -0.04 -0.08 -0.04 7.38 6.35 3ci5A1 PHE 90 HZ -0.52 -0.06 -0.05 -0.04 7.32 6.65 3ci5A1 TYR 91 H -0.00 0.60 0.07 -0.55 8.29 8.40 3ci5A1 TYR 91 HA -0.04 0.18 0.33 -0.75 4.56 4.28 3ci5A1 TYR 91 HB2 -0.20 0.06 0.12 -0.04 3.06 3.00 3ci5A1 TYR 91 HB3 -0.05 -0.02 0.02 -0.04 2.98 2.89 3ci5A1 TYR 91 HD2 -0.40 0.08 0.09 -0.04 7.15 6.87 3ci5A1 TYR 91 HE2 0.05 -0.03 0.04 -0.04 6.85 6.87 3ci5A1 ASN 92 H -0.18 0.44 -0.01 -0.55 8.53 8.24 3ci5A1 ASN 92 HA -0.08 0.23 0.92 -0.75 4.76 5.07 3ci5A1 ASN 92 HB2 -0.93 0.04 0.13 -0.04 2.88 2.09 3ci5A1 ASN 92 HB3 -0.25 -0.03 0.03 -0.04 2.79 2.50 3ci5A1 ASN 92 HD21 0.17 -0.00 -0.03 -0.04 7.03 7.14 3ci5A1 ASN 92 HD22 0.26 -0.04 0.04 -0.04 7.74 7.96 3ci5A1 GLU 93 H -0.37 0.36 0.13 -0.55 8.60 8.17 3ci5A1 GLU 93 HA -0.19 0.10 0.56 -0.75 4.29 4.00 3ci5A1 GLU 93 HB2 -0.20 0.09 0.23 -0.04 2.09 2.18 3ci5A1 GLU 93 HB3 -0.12 -0.08 -0.01 -0.04 1.99 1.74 3ci5A1 GLU 93 HG2 -0.84 0.06 -0.11 -0.04 2.34 1.42 3ci5A1 GLU 93 HG3 -0.95 -0.12 -0.10 -0.04 2.34 1.13 3ci5A1 LEU 94 H -0.13 0.66 0.13 -0.55 8.37 8.48 3ci5A1 LEU 94 HA 0.01 0.09 0.58 -0.75 4.35 4.27 3ci5A1 LEU 94 HB2 -0.11 0.10 0.07 -0.04 1.64 1.66 3ci5A1 LEU 94 HB3 -0.21 -0.01 -0.05 -0.04 1.64 1.33 3ci5A1 LEU 94 HG -0.14 0.01 -0.08 -0.04 1.64 1.39 3ci5A1 LEU 94 HD13 -0.28 -0.03 -0.11 -0.04 0.93 0.47 3ci5A1 LEU 94 HD23 -0.31 -0.02 -0.28 -0.04 0.89 0.24 3ci5A1 ARG 95 H -0.06 0.02 -0.48 -0.55 8.46 7.40 3ci5A1 ARG 95 HA 0.00 0.17 0.25 -0.75 4.34 4.01 3ci5A1 ARG 95 HB2 0.04 0.08 0.04 -0.04 1.90 2.02 3ci5A1 ARG 95 HB3 0.03 -0.06 0.11 -0.04 1.80 1.84 3ci5A1 ARG 95 HG2 -0.02 0.07 -0.32 -0.04 1.67 1.36 3ci5A1 ARG 95 HG3 0.01 0.03 -0.41 -0.04 1.67 1.25 3ci5A1 ARG 95 HD2 0.00 0.01 0.02 -0.04 3.22 3.21 3ci5A1 ARG 95 HD3 -0.00 -0.03 -0.03 -0.04 3.22 3.12 3ci5A1 VAL 96 H -0.10 0.54 0.00 -0.55 8.24 8.13 3ci5A1 VAL 96 HA 0.03 0.20 0.79 -0.75 4.13 4.41 3ci5A1 VAL 96 HB -0.12 0.00 -0.11 -0.04 2.12 1.85 3ci5A1 VAL 96 HG13 -0.04 0.04 -0.25 -0.04 0.97 0.68 3ci5A1 VAL 96 HG23 -0.18 -0.02 -0.22 -0.04 0.95 0.49 3ci5A1 ALA 97 H 0.05 0.22 0.07 -0.55 8.40 8.19 3ci5A1 ALA 97 HA -0.21 0.19 0.77 -0.75 4.34 4.33 3ci5A1 ALA 97 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 3ci5A1 PRO 98 HA -0.44 0.07 0.26 -0.51 4.44 3.82 3ci5A1 PRO 98 HB2 -0.84 0.06 -0.03 -0.04 2.28 1.43 3ci5A1 PRO 98 HB3 -2.47 -0.05 0.05 -0.04 2.02 -0.50 3ci5A1 PRO 98 HG2 -0.14 0.18 0.09 -0.04 2.03 2.12 3ci5A1 PRO 98 HG3 -0.53 -0.02 0.06 -0.04 2.03 1.50 3ci5A1 PRO 98 HD2 -0.30 0.11 0.20 -0.04 3.68 3.64 3ci5A1 PRO 98 HD3 -0.87 0.21 0.05 -0.04 3.65 3.00 3ci5A1 GLU 99 H -0.12 0.07 -0.28 -0.55 8.60 7.73 3ci5A1 GLU 99 HA -0.11 0.30 0.43 -0.75 4.29 4.16 3ci5A1 GLU 99 HB2 -0.04 0.00 0.13 -0.04 2.09 2.15 3ci5A1 GLU 99 HB3 -0.02 0.05 0.09 -0.04 1.99 2.07 3ci5A1 GLU 99 HG2 -0.05 0.03 -0.21 -0.04 2.34 2.07 3ci5A1 GLU 99 HG3 -0.01 -0.01 -0.05 -0.04 2.34 2.22 3ci5A1 GLU 100 H -0.10 0.44 -0.44 -0.55 8.60 7.95 3ci5A1 GLU 100 HA -0.18 0.16 0.85 -0.75 4.29 4.37 3ci5A1 GLU 100 HB2 -0.30 0.09 0.11 -0.04 2.09 1.95 3ci5A1 GLU 100 HB3 -0.33 -0.03 0.18 -0.04 1.99 1.77 3ci5A1 GLU 100 HG2 -0.07 -0.08 -0.07 -0.04 2.34 2.08 3ci5A1 GLU 100 HG3 -0.07 -0.02 0.03 -0.04 2.34 2.23 3ci5A1 HIS 101 H -0.12 0.47 -0.12 -0.55 8.41 8.10 3ci5A1 HIS 101 HA -0.11 0.24 1.07 -0.75 4.63 5.07 3ci5A1 HIS 101 HB2 -0.17 -0.12 0.02 -0.04 3.26 2.96 3ci5A1 HIS 101 HB3 -0.07 0.12 0.05 -0.04 3.20 3.25 3ci5A1 HIS 101 HD2 -0.14 0.13 -0.13 -0.04 6.97 6.79 3ci5A1 HIS 101 HE1 0.09 -0.01 -0.00 -0.04 7.75 7.78 3ci5A1 PRO 102 HA -0.36 0.18 0.59 -0.51 4.44 4.35 3ci5A1 PRO 102 HB2 -0.05 -0.06 -0.09 -0.04 2.28 2.03 3ci5A1 PRO 102 HB3 -0.69 -0.05 -0.08 -0.04 2.02 1.16 3ci5A1 PRO 102 HG2 -0.20 0.05 -0.09 -0.04 2.03 1.75 3ci5A1 PRO 102 HG3 -0.90 0.03 -0.04 -0.04 2.03 1.07 3ci5A1 PRO 102 HD2 -0.01 0.19 -0.06 -0.04 3.68 3.76 3ci5A1 PRO 102 HD3 -0.18 0.20 0.10 -0.04 3.65 3.74 3ci5A1 VAL 103 H -0.15 0.44 0.29 -0.55 8.24 8.27 3ci5A1 VAL 103 HA -0.04 0.19 1.05 -0.75 4.13 4.58 3ci5A1 VAL 103 HB -0.18 -0.03 0.18 -0.04 2.12 2.05 3ci5A1 VAL 103 HG13 -0.07 -0.05 -0.22 -0.04 0.97 0.59 3ci5A1 VAL 103 HG23 -0.13 0.09 -0.13 -0.04 0.95 0.74 3ci5A1 LEU 104 H -0.01 0.81 0.30 -0.55 8.37 8.93 3ci5A1 LEU 104 HA 0.15 0.00 1.00 -0.75 4.35 4.74 3ci5A1 LEU 104 HB2 0.06 0.00 0.02 -0.04 1.64 1.68 3ci5A1 LEU 104 HB3 -0.07 0.00 0.18 -0.04 1.64 1.71 3ci5A1 LEU 104 HG 0.19 0.00 -0.11 -0.04 1.64 1.68 3ci5A1 LEU 104 HD13 -0.23 -0.01 -0.09 -0.04 0.93 0.56 3ci5A1 LEU 104 HD23 -0.06 -0.04 -0.43 -0.04 0.89 0.32 3ci5A1 LEU 105 H 0.05 0.80 0.42 -0.55 8.37 9.09 3ci5A1 LEU 105 HA 0.01 0.22 1.01 -0.75 4.35 4.83 3ci5A1 LEU 105 HB2 -0.01 0.02 0.12 -0.04 1.64 1.73 3ci5A1 LEU 105 HB3 0.06 0.03 0.11 -0.04 1.64 1.79 3ci5A1 LEU 105 HG -0.16 -0.03 -0.27 -0.04 1.64 1.15 3ci5A1 LEU 105 HD13 -0.33 0.00 -0.06 -0.04 0.93 0.50 3ci5A1 LEU 105 HD23 -0.25 0.00 -0.01 -0.04 0.89 0.59 3ci5A1 THR 106 H 0.08 0.23 0.36 -0.55 8.28 8.40 3ci5A1 THR 106 HA 0.05 0.31 1.11 -0.75 4.39 5.09 3ci5A1 THR 106 HB 0.03 -0.03 0.08 -0.04 4.32 4.35 3ci5A1 THR 106 HG23 0.01 0.05 -0.16 -0.04 1.22 1.08 3ci5A1 GLU 107 H 0.04 0.47 0.37 -0.55 8.60 8.93 3ci5A1 GLU 107 HA 0.08 0.19 0.83 -0.75 4.29 4.64 3ci5A1 GLU 107 HB2 0.08 0.02 0.06 -0.04 2.09 2.22 3ci5A1 GLU 107 HB3 0.09 0.04 -0.21 -0.04 1.99 1.87 3ci5A1 GLU 107 HG2 0.04 0.02 -0.38 -0.04 2.34 1.98 3ci5A1 GLU 107 HG3 0.03 -0.05 -0.28 -0.04 2.34 2.00 3ci5A1 ALA 108 H 0.04 0.26 0.16 -0.55 8.40 8.30 3ci5A1 ALA 108 HA -0.04 -0.04 0.53 -0.75 4.34 4.04 3ci5A1 ALA 108 HB3 -0.01 0.04 0.03 -0.04 1.41 1.43 3ci5A1 PRO 109 HA -0.10 0.01 0.50 -0.51 4.44 4.34 3ci5A1 PRO 109 HB2 -0.51 0.12 -0.03 -0.04 2.28 1.82 3ci5A1 PRO 109 HB3 -0.18 0.06 0.06 -0.04 2.02 1.92 3ci5A1 PRO 109 HG2 -0.47 0.06 0.04 -0.04 2.03 1.62 3ci5A1 PRO 109 HG3 -0.17 -0.09 0.08 -0.04 2.03 1.80 3ci5A1 PRO 109 HD2 -0.54 0.14 0.17 -0.04 3.68 3.42 3ci5A1 PRO 109 HD3 -0.15 0.00 0.24 -0.04 3.65 3.70 3ci5A1 LEU 110 H -0.02 0.10 0.14 -0.55 8.37 8.04 3ci5A1 LEU 110 HA 0.02 0.05 0.27 -0.75 4.35 3.94 3ci5A1 LEU 110 HB2 0.01 0.15 -0.03 -0.04 1.64 1.74 3ci5A1 LEU 110 HB3 0.03 0.02 0.12 -0.04 1.64 1.77 3ci5A1 LEU 110 HG -0.02 -0.17 -0.30 -0.04 1.64 1.10 3ci5A1 LEU 110 HD13 0.04 0.04 -0.08 -0.04 0.93 0.89 3ci5A1 LEU 110 HD23 0.02 0.02 0.04 -0.04 0.89 0.93 3ci5A1 ASN 111 H 0.02 0.19 -0.31 -0.55 8.53 7.88 3ci5A1 ASN 111 HA 0.06 0.07 0.42 -0.75 4.76 4.56 3ci5A1 ASN 111 HB2 0.06 0.11 0.06 -0.04 2.88 3.07 3ci5A1 ASN 111 HB3 0.08 -0.04 0.01 -0.04 2.79 2.81 3ci5A1 ASN 111 HD21 0.21 -0.03 -0.15 -0.04 7.03 7.02 3ci5A1 ASN 111 HD22 0.13 -0.00 -0.09 -0.04 7.74 7.74 3ci5A1 PRO 112 HA 0.07 0.12 0.45 -0.51 4.44 4.57 3ci5A1 PRO 112 HB2 0.13 -0.19 0.08 -0.04 2.28 2.26 3ci5A1 PRO 112 HB3 0.08 0.07 0.13 -0.04 2.02 2.26 3ci5A1 PRO 112 HG2 0.09 0.06 0.11 -0.04 2.03 2.25 3ci5A1 PRO 112 HG3 0.07 0.14 0.13 -0.04 2.03 2.33 3ci5A1 PRO 112 HD2 0.11 -0.01 0.22 -0.04 3.68 3.96 3ci5A1 PRO 112 HD3 0.07 0.25 0.26 -0.04 3.65 4.19 3ci5A1 LYS 113 H 0.06 0.22 0.18 -0.55 8.42 8.33 3ci5A1 LYS 113 HA 0.17 0.11 0.40 -0.75 4.32 4.25 3ci5A1 LYS 113 HB2 -0.06 0.10 0.14 -0.04 1.87 2.00 3ci5A1 LYS 113 HB3 0.01 -0.02 0.17 -0.04 1.79 1.91 3ci5A1 LYS 113 HG2 0.08 -0.02 -0.46 -0.04 1.46 1.02 3ci5A1 LYS 113 HG3 -0.32 0.02 -0.03 -0.04 1.46 1.10 3ci5A1 LYS 113 HD2 -0.21 0.06 -0.00 -0.04 1.69 1.50 3ci5A1 LYS 113 HD3 -0.05 -0.00 0.01 -0.04 1.68 1.60 3ci5A1 LYS 113 HE2 0.05 -0.04 -0.08 -0.04 2.99 2.88 3ci5A1 LYS 113 HE3 -0.04 0.06 -0.02 -0.04 2.99 2.96 3ci5A1 ALA 114 H 0.09 0.14 -0.13 -0.55 8.40 7.95 3ci5A1 ALA 114 HA 0.08 0.10 0.40 -0.75 4.34 4.17 3ci5A1 ALA 114 HB3 0.07 0.04 0.05 -0.04 1.41 1.52 3ci5A1 ASN 115 H 0.17 0.22 -0.37 -0.55 8.53 8.00 3ci5A1 ASN 115 HA 0.30 0.04 0.45 -0.75 4.76 4.79 3ci5A1 ASN 115 HB2 0.24 0.23 0.09 -0.04 2.88 3.39 3ci5A1 ASN 115 HB3 0.46 -0.07 0.03 -0.04 2.79 3.16 3ci5A1 ASN 115 HD21 0.21 0.20 0.07 -0.04 7.03 7.47 3ci5A1 ASN 115 HD22 0.26 -0.18 0.11 -0.04 7.74 7.88 3ci5A1 ARG 116 H 0.17 0.47 -0.14 -0.55 8.46 8.41 3ci5A1 ARG 116 HA 0.14 -0.01 0.37 -0.75 4.34 4.08 3ci5A1 ARG 116 HB2 0.13 0.10 0.01 -0.04 1.90 2.10 3ci5A1 ARG 116 HB3 0.07 -0.01 -0.01 -0.04 1.80 1.81 3ci5A1 ARG 116 HG2 0.13 -0.11 -0.10 -0.04 1.67 1.55 3ci5A1 ARG 116 HG3 0.16 0.20 -0.11 -0.04 1.67 1.88 3ci5A1 ARG 116 HD2 0.13 0.09 -0.11 -0.04 3.22 3.29 3ci5A1 ARG 116 HD3 0.23 0.01 -0.05 -0.04 3.22 3.36 3ci5A1 GLU 117 H 0.09 0.47 -0.25 -0.55 8.60 8.36 3ci5A1 GLU 117 HA -0.02 0.10 0.47 -0.75 4.29 4.09 3ci5A1 GLU 117 HB2 0.03 0.13 0.09 -0.04 2.09 2.31 3ci5A1 GLU 117 HB3 0.02 -0.06 -0.06 -0.04 1.99 1.86 3ci5A1 GLU 117 HG2 -0.06 0.01 -0.23 -0.04 2.34 2.01 3ci5A1 GLU 117 HG3 0.18 0.18 0.00 -0.04 2.34 2.66 3ci5A1 LYS 118 H -0.12 0.49 -0.15 -0.55 8.42 8.09 3ci5A1 LYS 118 HA -0.26 0.05 0.51 -0.75 4.32 3.86 3ci5A1 LYS 118 HB2 -0.53 0.13 0.12 -0.04 1.87 1.55 3ci5A1 LYS 118 HB3 -1.12 0.03 0.15 -0.04 1.79 0.81 3ci5A1 LYS 118 HG2 -2.33 -0.02 -0.03 -0.04 1.46 -0.96 3ci5A1 LYS 118 HG3 -1.52 -0.06 -0.14 -0.04 1.46 -0.29 3ci5A1 LYS 118 HD2 -0.33 -0.05 0.08 -0.04 1.69 1.35 3ci5A1 LYS 118 HD3 -0.39 0.06 0.01 -0.04 1.68 1.32 3ci5A1 LYS 118 HE2 -0.38 -0.03 -0.03 -0.04 2.99 2.51 3ci5A1 LYS 118 HE3 -0.21 -0.03 -0.04 -0.04 2.99 2.67 3ci5A1 MET 119 H -0.04 0.69 -0.07 -0.55 8.47 8.51 3ci5A1 MET 119 HA 0.36 0.00 0.40 -0.75 4.52 4.52 3ci5A1 MET 119 HB2 0.13 0.00 0.10 -0.04 2.15 2.34 3ci5A1 MET 119 HB3 0.14 0.00 -0.04 -0.04 2.03 2.09 3ci5A1 MET 119 HG2 0.77 -0.08 0.02 -0.04 2.63 3.30 3ci5A1 MET 119 HG3 0.58 0.24 0.08 -0.04 2.56 3.42 3ci5A1 MET 119 HE3 0.23 -0.00 -0.09 -0.04 2.10 2.19 3ci5A1 THR 120 H 0.01 0.45 -0.37 -0.55 8.28 7.83 3ci5A1 THR 120 HA -0.06 0.01 0.34 -0.75 4.39 3.92 3ci5A1 THR 120 HB 0.09 0.13 0.21 -0.04 4.32 4.71 3ci5A1 THR 120 HG23 0.29 -0.01 -0.09 -0.04 1.22 1.36 3ci5A1 GLN 121 H 0.02 0.59 -0.02 -0.55 8.47 8.52 3ci5A1 GLN 121 HA 0.05 0.03 0.46 -0.75 4.36 4.14 3ci5A1 GLN 121 HB2 0.09 0.04 0.16 -0.04 2.15 2.40 3ci5A1 GLN 121 HB3 -0.03 0.06 0.19 -0.04 2.02 2.20 3ci5A1 GLN 121 HG2 0.03 -0.02 -0.19 -0.04 2.40 2.18 3ci5A1 GLN 121 HG3 0.16 0.00 0.05 -0.04 2.39 2.56 3ci5A1 GLN 121 HE21 0.01 0.01 -0.02 -0.04 6.97 6.94 3ci5A1 GLN 121 HE22 0.05 0.02 -0.02 -0.04 7.69 7.69 3ci5A1 ILE 122 H -0.00 0.58 -0.17 -0.55 8.25 8.10 3ci5A1 ILE 122 HA 0.04 0.01 0.41 -0.75 4.18 3.88 3ci5A1 ILE 122 HB 0.29 0.07 0.12 -0.04 1.89 2.33 3ci5A1 ILE 122 HG12 0.14 -0.00 -0.00 -0.04 1.49 1.58 3ci5A1 ILE 122 HG13 0.01 0.09 0.05 -0.04 1.21 1.32 3ci5A1 ILE 122 HG23 0.53 -0.01 -0.13 -0.04 0.93 1.27 3ci5A1 ILE 122 HD13 0.41 -0.03 -0.07 -0.04 0.88 1.14 3ci5A1 MET 123 H -0.11 0.52 -0.12 -0.55 8.47 8.21 3ci5A1 MET 123 HA 0.07 0.00 0.37 -0.75 4.52 4.21 3ci5A1 MET 123 HB2 -0.50 0.10 0.12 -0.04 2.15 1.83 3ci5A1 MET 123 HB3 -0.54 0.00 -0.05 -0.04 2.03 1.40 3ci5A1 MET 123 HG2 -0.40 0.11 0.07 -0.04 2.63 2.38 3ci5A1 MET 123 HG3 -0.38 -0.05 -0.02 -0.04 2.56 2.07 3ci5A1 MET 123 HE3 -1.28 -0.02 -0.07 -0.04 2.10 0.69 3ci5A1 PHE 124 H -0.24 0.47 -0.21 -0.55 8.34 7.80 3ci5A1 PHE 124 HA -0.19 0.07 0.43 -0.75 4.62 4.17 3ci5A1 PHE 124 HB2 -1.09 0.07 0.08 -0.04 3.15 2.16 3ci5A1 PHE 124 HB3 -0.54 0.01 -0.07 -0.04 3.06 2.41 3ci5A1 PHE 124 HD2 -0.44 0.15 -0.09 -0.04 7.28 6.86 3ci5A1 PHE 124 HE2 -0.09 -0.02 -0.35 -0.04 7.38 6.87 3ci5A1 PHE 124 HZ -0.04 0.15 -0.31 -0.04 7.32 7.08 3ci5A1 GLU 125 H -0.05 0.69 0.07 -0.55 8.60 8.77 3ci5A1 GLU 125 HA 0.04 0.13 0.59 -0.75 4.29 4.30 3ci5A1 GLU 125 HB2 0.03 0.08 0.09 -0.04 2.09 2.24 3ci5A1 GLU 125 HB3 0.04 -0.01 0.01 -0.04 1.99 1.98 3ci5A1 GLU 125 HG2 0.17 0.02 -0.03 -0.04 2.34 2.46 3ci5A1 GLU 125 HG3 0.14 -0.04 0.05 -0.04 2.34 2.44 3ci5A1 THR 126 H -0.07 0.35 0.07 -0.55 8.28 8.09 3ci5A1 THR 126 HA -0.14 0.15 0.75 -0.75 4.39 4.39 3ci5A1 THR 126 HB -0.37 0.13 0.17 -0.04 4.32 4.21 3ci5A1 THR 126 HG23 -0.71 -0.01 -0.10 -0.04 1.22 0.36 3ci5A1 PHE 127 H -0.03 0.34 -0.02 -0.55 8.34 8.08 3ci5A1 PHE 127 HA 0.03 0.18 0.65 -0.75 4.62 4.73 3ci5A1 PHE 127 HB2 -0.11 0.07 0.12 -0.04 3.15 3.19 3ci5A1 PHE 127 HB3 -0.24 -0.04 0.04 -0.04 3.06 2.77 3ci5A1 PHE 127 HD2 0.15 0.03 -0.11 -0.04 7.28 7.31 3ci5A1 PHE 127 HE2 0.55 -0.05 -0.06 -0.04 7.38 7.78 3ci5A1 PHE 127 HZ 0.47 0.12 -0.01 -0.04 7.32 7.86 3ci5A1 ASN 128 H 0.01 0.09 -0.42 -0.55 8.53 7.66 3ci5A1 ASN 128 HA 0.04 0.00 0.35 -0.75 4.76 4.40 3ci5A1 ASN 128 HB2 0.02 0.00 -0.21 -0.04 2.88 2.65 3ci5A1 ASN 128 HB3 0.01 0.05 0.01 -0.04 2.79 2.82 3ci5A1 ASN 128 HD21 0.01 -0.05 0.02 -0.04 7.03 6.97 3ci5A1 ASN 128 HD22 0.01 -0.02 0.02 -0.04 7.74 7.71 3ci5A1 THR 129 H -0.14 0.34 -0.21 -0.55 8.28 7.72 3ci5A1 THR 129 HA -0.19 0.34 0.37 -0.75 4.39 4.16 3ci5A1 THR 129 HB -0.32 0.12 0.08 -0.04 4.32 4.15 3ci5A1 THR 129 HG23 -0.30 0.02 -0.02 -0.04 1.22 0.87 3ci5A1 PRO 130 HA -0.01 0.02 0.51 -0.51 4.44 4.44 3ci5A1 PRO 130 HB2 -0.20 -0.08 -0.03 -0.04 2.28 1.93 3ci5A1 PRO 130 HB3 -0.11 0.11 0.09 -0.04 2.02 2.08 3ci5A1 PRO 130 HG2 -0.30 -0.07 -0.34 -0.04 2.03 1.27 3ci5A1 PRO 130 HG3 -0.19 0.12 -0.31 -0.04 2.03 1.60 3ci5A1 PRO 130 HD2 -0.21 0.38 0.06 -0.04 3.68 3.87 3ci5A1 PRO 130 HD3 -0.15 0.30 0.05 -0.04 3.65 3.81 3ci5A1 ALA 131 H -0.27 0.34 -0.25 -0.55 8.40 7.68 3ci5A1 ALA 131 HA 0.01 0.23 0.68 -0.75 4.34 4.50 3ci5A1 ALA 131 HB3 -1.16 -0.00 -0.14 -0.04 1.41 0.06 3ci5A1 MET 132 H 0.11 0.58 0.33 -0.55 8.47 8.95 3ci5A1 MET 132 HA -0.04 0.15 0.67 -0.75 4.52 4.55 3ci5A1 MET 132 HB2 -0.18 0.01 0.20 -0.04 2.15 2.13 3ci5A1 MET 132 HB3 -0.43 0.09 -0.06 -0.04 2.03 1.59 3ci5A1 MET 132 HG2 -0.95 0.01 -0.13 -0.04 2.63 1.53 3ci5A1 MET 132 HG3 -0.16 -0.00 -0.07 -0.04 2.56 2.29 3ci5A1 MET 132 HE3 -0.17 0.00 -0.15 -0.04 2.10 1.74 3ci5A1 TYR 133 H 0.13 0.56 0.44 -0.55 8.29 8.87 3ci5A1 TYR 133 HA 0.15 0.14 0.75 -0.75 4.56 4.84 3ci5A1 TYR 133 HB2 0.34 -0.01 -0.32 -0.04 3.06 3.03 3ci5A1 TYR 133 HB3 0.32 -0.08 -0.05 -0.04 2.98 3.13 3ci5A1 TYR 133 HD2 0.16 -0.04 -0.24 -0.04 7.15 6.99 3ci5A1 TYR 133 HE2 0.12 0.09 -0.06 -0.04 6.85 6.96 3ci5A1 VAL 134 H -0.61 0.30 0.15 -0.55 8.24 7.53 3ci5A1 VAL 134 HA 0.02 0.30 1.00 -0.75 4.13 4.70 3ci5A1 VAL 134 HB -0.10 0.05 0.08 -0.04 2.12 2.10 3ci5A1 VAL 134 HG13 0.03 -0.02 -0.26 -0.04 0.97 0.68 3ci5A1 VAL 134 HG23 -0.01 -0.01 -0.17 -0.04 0.95 0.72 3ci5A1 ALA 135 H 0.07 0.61 0.34 -0.55 8.40 8.86 3ci5A1 ALA 135 HA 0.08 0.20 0.88 -0.75 4.34 4.75 3ci5A1 ALA 135 HB3 0.15 0.01 -0.08 -0.04 1.41 1.46 3ci5A1 ILE 136 H 0.01 0.21 0.11 -0.55 8.25 8.03 3ci5A1 ILE 136 HA -0.00 0.23 0.61 -0.75 4.18 4.26 3ci5A1 ILE 136 HB -0.05 -0.00 0.14 -0.04 1.89 1.93 3ci5A1 ILE 136 HG12 0.01 0.07 -0.06 -0.04 1.49 1.46 3ci5A1 ILE 136 HG13 0.01 0.05 0.01 -0.04 1.21 1.24 3ci5A1 ILE 136 HG23 -0.06 -0.06 -0.12 -0.04 0.93 0.66 3ci5A1 ILE 136 HD13 0.01 0.01 0.03 -0.04 0.88 0.90 3ci5A1 GLN 137 H -0.02 0.69 0.31 -0.55 8.47 8.91 3ci5A1 GLN 137 HA -0.01 0.07 0.28 -0.75 4.36 3.94 3ci5A1 GLN 137 HB2 -0.01 0.00 0.13 -0.04 2.15 2.23 3ci5A1 GLN 137 HB3 0.01 -0.07 -0.03 -0.04 2.02 1.88 3ci5A1 GLN 137 HG2 0.03 -0.06 -0.06 -0.04 2.40 2.27 3ci5A1 GLN 137 HG3 0.02 0.05 0.04 -0.04 2.39 2.46 3ci5A1 GLN 137 HE21 0.03 0.12 -0.19 -0.04 6.97 6.89 3ci5A1 GLN 137 HE22 0.05 -0.02 -0.41 -0.04 7.69 7.27 3ci5A1 ALA 138 H -0.05 0.14 -0.14 -0.55 8.40 7.81 3ci5A1 ALA 138 HA -0.04 0.00 0.21 -0.75 4.34 3.76 3ci5A1 ALA 138 HB3 -0.05 0.03 -0.00 -0.04 1.41 1.34 3ci5A1 VAL 139 H -0.12 0.11 -0.37 -0.55 8.24 7.31 3ci5A1 VAL 139 HA -0.32 0.09 0.29 -0.75 4.13 3.44 3ci5A1 VAL 139 HB -0.21 0.05 0.09 -0.04 2.12 2.00 3ci5A1 VAL 139 HG13 -0.73 0.04 -0.08 -0.04 0.97 0.16 3ci5A1 VAL 139 HG23 -0.16 -0.02 -0.03 -0.04 0.95 0.70 3ci5A1 LEU 140 H -0.13 0.41 -0.19 -0.55 8.37 7.91 3ci5A1 LEU 140 HA -0.05 0.07 0.35 -0.75 4.35 3.97 3ci5A1 LEU 140 HB2 -0.04 0.06 0.13 -0.04 1.64 1.75 3ci5A1 LEU 140 HB3 -0.04 0.02 0.04 -0.04 1.64 1.62 3ci5A1 LEU 140 HG -0.04 0.10 -0.15 -0.04 1.64 1.51 3ci5A1 LEU 140 HD13 -0.05 -0.03 -0.16 -0.04 0.93 0.65 3ci5A1 LEU 140 HD23 0.00 0.01 -0.26 -0.04 0.89 0.60 3ci5A1 SER 141 H -0.06 0.41 -0.25 -0.55 8.46 8.01 3ci5A1 SER 141 HA 0.01 -0.01 0.08 -0.75 4.49 3.82 3ci5A1 SER 141 HB2 -0.03 0.16 0.00 -0.04 3.95 4.04 3ci5A1 SER 141 HB3 0.00 0.02 -0.17 -0.04 3.93 3.75 3ci5A1 LEU 142 H -0.13 0.43 -0.30 -0.55 8.37 7.82 3ci5A1 LEU 142 HA -0.02 0.01 0.19 -0.75 4.35 3.78 3ci5A1 LEU 142 HB2 -0.12 -0.04 -0.07 -0.04 1.64 1.38 3ci5A1 LEU 142 HB3 -0.26 0.13 0.01 -0.04 1.64 1.47 3ci5A1 LEU 142 HG -0.01 0.07 -0.43 -0.04 1.64 1.24 3ci5A1 LEU 142 HD13 -0.01 0.01 -0.31 -0.04 0.93 0.58 3ci5A1 LEU 142 HD23 -0.07 -0.03 -0.55 -0.04 0.89 0.19 3ci5A1 TYR 143 H -0.17 0.53 -0.10 -0.55 8.29 8.00 3ci5A1 TYR 143 HA -0.05 0.12 0.41 -0.75 4.56 4.29 3ci5A1 TYR 143 HB2 -0.07 0.04 0.16 -0.04 3.06 3.15 3ci5A1 TYR 143 HB3 -0.08 -0.03 -0.00 -0.04 2.98 2.84 3ci5A1 TYR 143 HD2 -0.09 0.04 -0.04 -0.04 7.15 7.02 3ci5A1 TYR 143 HE2 -0.12 -0.05 -0.02 -0.04 6.85 6.62 3ci5A1 ALA 144 H 0.06 0.52 -0.17 -0.55 8.40 8.27 3ci5A1 ALA 144 HA 0.04 0.04 0.34 -0.75 4.34 4.01 3ci5A1 ALA 144 HB3 0.04 -0.01 0.06 -0.04 1.41 1.46 3ci5A1 SER 145 H 0.04 0.40 -0.46 -0.55 8.46 7.89 3ci5A1 SER 145 HA 0.03 0.04 0.61 -0.75 4.49 4.42 3ci5A1 SER 145 HB2 0.03 -0.08 0.07 -0.04 3.95 3.93 3ci5A1 SER 145 HB3 0.02 -0.04 0.03 -0.04 3.93 3.90 3ci5A1 GLY 146 H 0.05 0.54 -0.39 -0.55 8.43 8.07 3ci5A1 GLY 146 HA2 0.02 0.04 0.27 -0.51 4.01 3.83 3ci5A1 GLY 146 HA3 0.02 0.05 0.38 -0.51 4.01 3.95 3ci5A1 ARG 147 H 0.07 0.37 -0.01 -0.55 8.46 8.34 3ci5A1 ARG 147 HA 0.02 0.18 0.84 -0.75 4.34 4.63 3ci5A1 ARG 147 HB2 0.03 0.00 -0.19 -0.04 1.90 1.70 3ci5A1 ARG 147 HB3 0.02 -0.05 0.09 -0.04 1.80 1.82 3ci5A1 ARG 147 HG2 0.02 0.06 -0.14 -0.04 1.67 1.57 3ci5A1 ARG 147 HG3 0.03 0.08 -0.64 -0.04 1.67 1.09 3ci5A1 ARG 147 HD2 0.02 0.00 -0.13 -0.04 3.22 3.07 3ci5A1 ARG 147 HD3 0.02 0.00 -0.03 -0.04 3.22 3.18 3ci5A1 THR 148 H 0.01 0.19 0.12 -0.55 8.28 8.06 3ci5A1 THR 148 HA 0.13 0.26 0.88 -0.75 4.39 4.90 3ci5A1 THR 148 HB 0.02 -0.05 -0.02 -0.04 4.32 4.23 3ci5A1 THR 148 HG23 0.00 0.04 -0.15 -0.04 1.22 1.07 3ci5A1 THR 149 H -0.00 0.18 0.09 -0.55 8.28 8.00 3ci5A1 THR 149 HA 0.00 0.22 0.79 -0.75 4.39 4.64 3ci5A1 THR 149 HB -0.00 0.03 0.10 -0.04 4.32 4.41 3ci5A1 THR 149 HG23 0.16 0.06 -0.08 -0.04 1.22 1.32 3ci5A1 GLY 150 H 0.03 0.62 0.34 -0.55 8.43 8.87 3ci5A1 GLY 150 HA2 0.03 0.17 0.39 -0.51 4.01 4.09 3ci5A1 GLY 150 HA3 0.01 0.14 0.57 -0.51 4.01 4.22 3ci5A1 ILE 151 H 0.01 0.64 0.34 -0.55 8.25 8.68 3ci5A1 ILE 151 HA -0.02 0.21 1.05 -0.75 4.18 4.67 3ci5A1 ILE 151 HB -0.05 0.01 -0.05 -0.04 1.89 1.76 3ci5A1 ILE 151 HG12 -0.02 -0.07 -0.40 -0.04 1.49 0.96 3ci5A1 ILE 151 HG13 -0.03 -0.04 -0.47 -0.04 1.21 0.62 3ci5A1 ILE 151 HG23 -0.02 0.03 -0.01 -0.04 0.93 0.89 3ci5A1 ILE 151 HD13 -0.06 -0.00 -0.14 -0.04 0.88 0.64 3ci5A1 VAL 152 H -0.02 0.57 0.18 -0.55 8.24 8.43 3ci5A1 VAL 152 HA 0.00 0.34 0.94 -0.75 4.13 4.66 3ci5A1 VAL 152 HB -0.03 -0.06 0.11 -0.04 2.12 2.10 3ci5A1 VAL 152 HG13 -0.00 -0.03 -0.26 -0.04 0.97 0.63 3ci5A1 VAL 152 HG23 -0.04 0.09 -0.15 -0.04 0.95 0.81 3ci5A1 MET 153 H 0.02 0.71 0.25 -0.55 8.47 8.91 3ci5A1 MET 153 HA 0.01 0.00 0.94 -0.75 4.52 4.72 3ci5A1 MET 153 HB2 0.02 0.00 0.01 -0.04 2.15 2.14 3ci5A1 MET 153 HB3 0.02 -0.07 0.21 -0.04 2.03 2.15 3ci5A1 MET 153 HG2 -0.01 0.00 -0.11 -0.04 2.63 2.47 3ci5A1 MET 153 HG3 0.00 0.00 -0.05 -0.04 2.56 2.47 3ci5A1 MET 153 HE3 -0.01 0.01 -0.09 -0.04 2.10 1.97 3ci5A1 ASP 154 H 0.04 0.67 0.19 -0.55 8.40 8.76 3ci5A1 ASP 154 HA 0.02 0.00 0.88 -0.75 4.63 4.78 3ci5A1 ASP 154 HB2 0.03 0.00 -0.05 -0.04 2.71 2.64 3ci5A1 ASP 154 HB3 0.07 -0.04 0.17 -0.04 2.70 2.86 3ci5A1 SER 155 H 0.02 0.74 0.34 -0.55 8.46 9.01 3ci5A1 SER 155 HA 0.00 0.23 1.09 -0.75 4.49 5.06 3ci5A1 SER 155 HB2 -0.01 0.03 -0.14 -0.04 3.95 3.79 3ci5A1 SER 155 HB3 0.02 -0.01 0.01 -0.04 3.93 3.91 3ci5A1 GLY 156 H 0.01 0.42 0.12 -0.55 8.43 8.43 3ci5A1 GLY 156 HA2 0.00 0.07 0.93 -0.51 4.01 4.50 3ci5A1 GLY 156 HA3 0.01 -0.02 0.45 -0.51 4.01 3.94 3ci5A1 ASP 157 H 0.00 0.09 0.25 -0.55 8.40 8.20 3ci5A1 ASP 157 HA -0.01 0.15 0.58 -0.75 4.63 4.60 3ci5A1 ASP 157 HB2 -0.01 -0.14 0.15 -0.04 2.71 2.67 3ci5A1 ASP 157 HB3 -0.01 0.00 0.05 -0.04 2.70 2.70 3ci5A1 GLY 158 H -0.01 0.04 0.19 -0.55 8.43 8.11 3ci5A1 GLY 158 HA2 -0.03 0.21 0.85 -0.51 4.01 4.52 3ci5A1 GLY 158 HA3 -0.03 0.14 0.26 -0.51 4.01 3.87 3ci5A1 VAL 159 H -0.02 -0.07 0.09 -0.55 8.24 7.68 3ci5A1 VAL 159 HA -0.10 0.29 0.82 -0.75 4.13 4.38 3ci5A1 VAL 159 HB -0.06 0.05 -0.30 -0.04 2.12 1.77 3ci5A1 VAL 159 HG13 0.05 -0.04 -0.10 -0.04 0.97 0.83 3ci5A1 VAL 159 HG23 -0.31 0.05 -0.14 -0.04 0.95 0.51 3ci5A1 SER 160 H -0.16 0.83 0.37 -0.55 8.46 8.95 3ci5A1 SER 160 HA -0.05 0.20 1.07 -0.75 4.49 4.95 3ci5A1 SER 160 HB2 -0.10 -0.01 0.22 -0.04 3.95 4.02 3ci5A1 SER 160 HB3 -0.06 -0.02 0.01 -0.04 3.93 3.81 3ci5A1 HIS 161 H 0.06 0.54 0.33 -0.55 8.41 8.79 3ci5A1 HIS 161 HA -0.03 0.28 1.20 -0.75 4.63 5.34 3ci5A1 HIS 161 HB2 -0.02 -0.13 0.14 -0.04 3.26 3.21 3ci5A1 HIS 161 HB3 -0.02 0.07 -0.04 -0.04 3.20 3.17 3ci5A1 HIS 161 HD2 -0.01 0.16 -0.13 -0.04 6.97 6.93 3ci5A1 HIS 161 HE1 -0.00 -0.01 -0.11 -0.04 7.75 7.59 3ci5A1 THR 162 H 0.06 0.67 0.28 -0.55 8.28 8.74 3ci5A1 THR 162 HA 0.02 0.24 0.99 -0.75 4.39 4.88 3ci5A1 THR 162 HB -0.02 0.05 -0.05 -0.04 4.32 4.26 3ci5A1 THR 162 HG23 -0.01 -0.04 -0.28 -0.04 1.22 0.85 3ci5A1 VAL 163 H -0.01 0.57 0.16 -0.55 8.24 8.42 3ci5A1 VAL 163 HA -0.03 0.28 1.00 -0.75 4.13 4.63 3ci5A1 VAL 163 HB -0.03 -0.08 0.13 -0.04 2.12 2.09 3ci5A1 VAL 163 HG13 -0.05 0.00 -0.15 -0.04 0.97 0.73 3ci5A1 VAL 163 HG23 -0.02 -0.02 -0.21 -0.04 0.95 0.65 3ci5A1 PRO 164 HA -0.03 0.14 0.79 -0.51 4.44 4.83 3ci5A1 PRO 164 HB2 -0.06 -0.00 -0.05 -0.04 2.28 2.13 3ci5A1 PRO 164 HB3 -0.06 0.06 -0.01 -0.04 2.02 1.96 3ci5A1 PRO 164 HG2 -0.13 0.08 -0.04 -0.04 2.03 1.91 3ci5A1 PRO 164 HG3 -0.09 0.01 -0.15 -0.04 2.03 1.76 3ci5A1 PRO 164 HD2 -0.08 0.08 0.04 -0.04 3.68 3.68 3ci5A1 PRO 164 HD3 -0.05 0.21 -0.11 -0.04 3.65 3.66 3ci5A1 ILE 165 H 0.01 0.70 0.35 -0.55 8.25 8.77 3ci5A1 ILE 165 HA 0.04 0.20 0.70 -0.75 4.18 4.36 3ci5A1 ILE 165 HB -0.03 0.04 -0.03 -0.04 1.89 1.82 3ci5A1 ILE 165 HG12 -0.07 -0.08 -0.32 -0.04 1.49 0.98 3ci5A1 ILE 165 HG13 -0.04 0.01 -0.83 -0.04 1.21 0.30 3ci5A1 ILE 165 HG23 -0.08 -0.00 -0.46 -0.04 0.93 0.35 3ci5A1 ILE 165 HD13 -0.12 -0.04 -0.31 -0.04 0.88 0.37 3ci5A1 TYR 166 H 0.17 0.71 0.17 -0.55 8.29 8.79 3ci5A1 TYR 166 HA 0.03 0.08 0.97 -0.75 4.56 4.88 3ci5A1 TYR 166 HB2 0.03 -0.02 -0.08 -0.04 3.06 2.94 3ci5A1 TYR 166 HB3 0.06 0.06 0.09 -0.04 2.98 3.15 3ci5A1 TYR 166 HD2 0.04 0.02 -0.04 -0.04 7.15 7.13 3ci5A1 TYR 166 HE2 0.03 0.03 -0.02 -0.04 6.85 6.85 3ci5A1 GLU 167 H -0.34 0.13 0.02 -0.55 8.60 7.86 3ci5A1 GLU 167 HA -0.17 -0.01 0.23 -0.75 4.29 3.59 3ci5A1 GLU 167 HB2 -0.20 0.08 -0.15 -0.04 2.09 1.78 3ci5A1 GLU 167 HB3 -0.08 0.04 0.19 -0.04 1.99 2.09 3ci5A1 GLU 167 HG2 -0.37 -0.01 0.03 -0.04 2.34 1.95 3ci5A1 GLU 167 HG3 -1.39 -0.05 -0.06 -0.04 2.34 0.80 3ci5A1 GLY 168 H -0.01 0.46 -0.22 -0.55 8.43 8.12 3ci5A1 GLY 168 HA2 0.06 -0.03 0.27 -0.51 4.01 3.80 3ci5A1 GLY 168 HA3 -0.03 0.16 0.50 -0.51 4.01 4.12 3ci5A1 TYR 169 H 0.15 0.42 -0.30 -0.55 8.29 8.01 3ci5A1 TYR 169 HA -0.02 0.09 1.00 -0.75 4.56 4.87 3ci5A1 TYR 169 HB2 0.05 0.09 0.07 -0.04 3.06 3.23 3ci5A1 TYR 169 HB3 0.03 0.05 0.03 -0.04 2.98 3.04 3ci5A1 TYR 169 HD2 -0.09 0.03 -0.03 -0.04 7.15 7.02 3ci5A1 TYR 169 HE2 -0.33 0.10 0.02 -0.04 6.85 6.59 3ci5A1 ALA 170 H 0.02 0.05 0.15 -0.55 8.40 8.08 3ci5A1 ALA 170 HA 0.01 0.20 0.58 -0.75 4.34 4.37 3ci5A1 ALA 170 HB3 -0.00 -0.03 0.04 -0.04 1.41 1.37 3ci5A1 LEU 171 H -0.02 0.61 0.21 -0.55 8.37 8.62 3ci5A1 LEU 171 HA 0.05 0.22 0.84 -0.75 4.35 4.71 3ci5A1 LEU 171 HB2 -0.19 -0.01 0.16 -0.04 1.64 1.55 3ci5A1 LEU 171 HB3 -0.25 -0.00 0.07 -0.04 1.64 1.41 3ci5A1 LEU 171 HG 0.05 0.02 -0.18 -0.04 1.64 1.48 3ci5A1 LEU 171 HD13 0.00 -0.01 -0.10 -0.04 0.93 0.78 3ci5A1 LEU 171 HD23 0.14 0.04 -0.06 -0.04 0.89 0.97 3ci5A1 PRO 172 HA -0.01 0.00 0.23 -0.51 4.44 4.15 3ci5A1 PRO 172 HB2 0.07 0.09 0.02 -0.04 2.28 2.42 3ci5A1 PRO 172 HB3 0.05 -0.02 0.09 -0.04 2.02 2.09 3ci5A1 PRO 172 HG2 0.10 0.09 0.07 -0.04 2.03 2.26 3ci5A1 PRO 172 HG3 0.09 -0.01 0.02 -0.04 2.03 2.08 3ci5A1 PRO 172 HD2 0.16 0.09 0.18 -0.04 3.68 4.07 3ci5A1 PRO 172 HD3 0.10 0.47 0.13 -0.04 3.65 4.32 3ci5A1 HIS 173 H 0.11 0.12 -0.19 -0.55 8.41 7.91 3ci5A1 HIS 173 HA 0.01 0.09 0.42 -0.75 4.63 4.40 3ci5A1 HIS 173 HB2 -0.00 0.06 0.11 -0.04 3.26 3.39 3ci5A1 HIS 173 HB3 0.01 -0.03 0.10 -0.04 3.20 3.23 3ci5A1 HIS 173 HD2 -0.02 0.13 -0.16 -0.04 6.97 6.88 3ci5A1 HIS 173 HE1 -0.00 -0.03 0.01 -0.04 7.75 7.68 3ci5A1 ALA 174 H -0.42 0.41 -0.43 -0.55 8.40 7.41 3ci5A1 ALA 174 HA -0.11 0.22 0.83 -0.75 4.34 4.54 3ci5A1 ALA 174 HB3 -0.28 0.03 -0.01 -0.04 1.41 1.11 3ci5A1 ILE 175 H -0.08 0.33 -0.12 -0.55 8.25 7.83 3ci5A1 ILE 175 HA -0.03 0.20 0.76 -0.75 4.18 4.36 3ci5A1 ILE 175 HB -0.01 0.12 0.16 -0.04 1.89 2.12 3ci5A1 ILE 175 HG12 -0.04 -0.07 0.11 -0.04 1.49 1.45 3ci5A1 ILE 175 HG13 -0.06 0.18 -0.00 -0.04 1.21 1.28 3ci5A1 ILE 175 HG23 0.04 -0.04 -0.13 -0.04 0.93 0.76 3ci5A1 ILE 175 HD13 -0.04 -0.05 -0.04 -0.04 0.88 0.71 3ci5A1 LEU 176 H 0.02 0.38 0.42 -0.55 8.37 8.64 3ci5A1 LEU 176 HA 0.02 0.26 0.88 -0.75 4.35 4.76 3ci5A1 LEU 176 HB2 -0.02 -0.07 0.04 -0.04 1.64 1.55 3ci5A1 LEU 176 HB3 -0.02 -0.04 0.10 -0.04 1.64 1.64 3ci5A1 LEU 176 HG -0.03 0.11 -0.41 -0.04 1.64 1.27 3ci5A1 LEU 176 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.74 3ci5A1 LEU 176 HD23 -0.01 0.06 0.00 -0.04 0.89 0.91 3ci5A1 ARG 177 H -0.03 0.31 0.21 -0.55 8.46 8.39 3ci5A1 ARG 177 HA -0.17 0.00 0.91 -0.75 4.34 4.33 3ci5A1 ARG 177 HB2 -0.64 0.01 0.06 -0.04 1.90 1.29 3ci5A1 ARG 177 HB3 -0.12 0.00 -0.27 -0.04 1.80 1.38 3ci5A1 ARG 177 HG2 -0.06 0.00 -0.05 -0.04 1.67 1.52 3ci5A1 ARG 177 HG3 -0.15 -0.06 -0.34 -0.04 1.67 1.08 3ci5A1 ARG 177 HD2 -0.19 -0.05 -0.13 -0.04 3.22 2.80 3ci5A1 ARG 177 HD3 0.04 0.05 -0.11 -0.04 3.22 3.16 3ci5A1 LEU 178 H -0.17 0.77 0.36 -0.55 8.37 8.79 3ci5A1 LEU 178 HA -0.09 0.19 0.79 -0.75 4.35 4.49 3ci5A1 LEU 178 HB2 -0.10 0.07 0.01 -0.04 1.64 1.58 3ci5A1 LEU 178 HB3 -0.11 -0.06 0.18 -0.04 1.64 1.60 3ci5A1 LEU 178 HG -0.10 -0.09 -0.20 -0.04 1.64 1.21 3ci5A1 LEU 178 HD13 -0.09 0.06 -0.07 -0.04 0.93 0.80 3ci5A1 LEU 178 HD23 -0.13 -0.00 -0.03 -0.04 0.89 0.69 3ci5A1 ASP 179 H -0.08 0.23 0.03 -0.55 8.40 8.03 3ci5A1 ASP 179 HA -0.09 0.05 0.55 -0.75 4.63 4.39 3ci5A1 ASP 179 HB2 -0.06 0.01 0.17 -0.04 2.71 2.80 3ci5A1 ASP 179 HB3 -0.05 0.06 0.23 -0.04 2.70 2.89 3ci5A1 LEU 180 H -0.09 0.49 -0.33 -0.55 8.37 7.89 3ci5A1 LEU 180 HA -0.06 0.11 0.63 -0.75 4.35 4.28 3ci5A1 LEU 180 HB2 -0.08 0.03 -0.35 -0.04 1.64 1.20 3ci5A1 LEU 180 HB3 -0.09 -0.06 -0.09 -0.04 1.64 1.36 3ci5A1 LEU 180 HG -0.08 0.04 -0.09 -0.04 1.64 1.46 3ci5A1 LEU 180 HD13 -0.12 0.02 -0.16 -0.04 0.93 0.63 3ci5A1 LEU 180 HD23 -0.08 -0.01 -0.34 -0.04 0.89 0.42 3ci5A1 ALA 181 H -0.03 0.17 -0.04 -0.55 8.40 7.94 3ci5A1 ALA 181 HA -0.02 0.17 0.16 -0.75 4.34 3.90 3ci5A1 ALA 181 HB3 -0.02 0.00 -0.63 -0.04 1.41 0.71 3ci5A1 GLY 182 H 0.01 0.50 0.20 -0.55 8.43 8.60 3ci5A1 GLY 182 HA2 0.07 0.08 0.17 -0.51 4.01 3.83 3ci5A1 GLY 182 HA3 0.02 0.07 0.37 -0.51 4.01 3.96 3ci5A1 ARG 183 H -0.01 0.61 0.13 -0.55 8.46 8.64 3ci5A1 ARG 183 HA -0.01 0.07 0.46 -0.75 4.34 4.10 3ci5A1 ARG 183 HB2 -0.05 0.05 0.08 -0.04 1.90 1.94 3ci5A1 ARG 183 HB3 -0.04 -0.10 0.09 -0.04 1.80 1.72 3ci5A1 ARG 183 HG2 -0.03 0.09 0.12 -0.04 1.67 1.81 3ci5A1 ARG 183 HG3 -0.04 0.07 -0.17 -0.04 1.67 1.49 3ci5A1 ARG 183 HD2 -0.09 0.05 -0.04 -0.04 3.22 3.10 3ci5A1 ARG 183 HD3 -0.07 -0.10 -0.09 -0.04 3.22 2.92 3ci5A1 ASP 184 H -0.01 0.13 -0.19 -0.55 8.40 7.79 3ci5A1 ASP 184 HA 0.01 0.10 0.48 -0.75 4.63 4.46 3ci5A1 ASP 184 HB2 -0.02 0.06 0.07 -0.04 2.71 2.78 3ci5A1 ASP 184 HB3 -0.03 0.09 0.05 -0.04 2.70 2.77 3ci5A1 LEU 185 H 0.04 0.33 -0.17 -0.55 8.37 8.03 3ci5A1 LEU 185 HA 0.12 0.11 0.47 -0.75 4.35 4.30 3ci5A1 LEU 185 HB2 0.14 0.05 0.02 -0.04 1.64 1.81 3ci5A1 LEU 185 HB3 0.15 0.01 -0.11 -0.04 1.64 1.64 3ci5A1 LEU 185 HG 0.05 0.08 -0.18 -0.04 1.64 1.54 3ci5A1 LEU 185 HD13 0.12 -0.02 -0.14 -0.04 0.93 0.85 3ci5A1 LEU 185 HD23 -0.02 0.05 -0.17 -0.04 0.89 0.71 3ci5A1 THR 186 H 0.05 0.55 -0.09 -0.55 8.28 8.24 3ci5A1 THR 186 HA 0.02 0.05 0.48 -0.75 4.39 4.18 3ci5A1 THR 186 HB 0.01 0.10 0.18 -0.04 4.32 4.56 3ci5A1 THR 186 HG23 -0.02 -0.02 -0.13 -0.04 1.22 1.02 3ci5A1 ASP 187 H 0.03 0.55 -0.11 -0.55 8.40 8.33 3ci5A1 ASP 187 HA 0.03 0.01 0.40 -0.75 4.63 4.31 3ci5A1 ASP 187 HB2 0.04 0.08 0.17 -0.04 2.71 2.95 3ci5A1 ASP 187 HB3 0.04 0.00 0.05 -0.04 2.70 2.75 3ci5A1 TYR 188 H 0.16 0.40 -0.33 -0.55 8.29 7.98 3ci5A1 TYR 188 HA 0.00 0.07 0.55 -0.75 4.56 4.43 3ci5A1 TYR 188 HB2 0.01 0.08 0.11 -0.04 3.06 3.22 3ci5A1 TYR 188 HB3 0.01 0.03 0.16 -0.04 2.98 3.14 3ci5A1 TYR 188 HD2 0.01 0.02 0.04 -0.04 7.15 7.19 3ci5A1 TYR 188 HE2 0.06 0.13 -0.06 -0.04 6.85 6.93 3ci5A1 MET 189 H 0.05 0.67 -0.03 -0.55 8.47 8.62 3ci5A1 MET 189 HA -0.17 -0.00 0.51 -0.75 4.52 4.10 3ci5A1 MET 189 HB2 -0.01 0.06 0.13 -0.04 2.15 2.28 3ci5A1 MET 189 HB3 -0.03 0.09 0.12 -0.04 2.03 2.17 3ci5A1 MET 189 HG2 -0.08 0.04 -0.04 -0.04 2.63 2.50 3ci5A1 MET 189 HG3 -0.09 -0.05 -0.16 -0.04 2.56 2.22 3ci5A1 MET 189 HE3 -0.01 0.05 -0.10 -0.04 2.10 1.99 3ci5A1 MET 190 H -0.01 0.56 -0.22 -0.55 8.47 8.26 3ci5A1 MET 190 HA 0.06 0.00 0.44 -0.75 4.52 4.26 3ci5A1 MET 190 HB2 0.03 0.00 0.18 -0.04 2.15 2.31 3ci5A1 MET 190 HB3 0.06 0.00 0.03 -0.04 2.03 2.08 3ci5A1 MET 190 HG2 0.07 -0.06 -0.00 -0.04 2.63 2.60 3ci5A1 MET 190 HG3 -0.01 0.02 0.02 -0.04 2.56 2.55 3ci5A1 MET 190 HE3 0.07 -0.00 -0.17 -0.04 2.10 1.95 3ci5A1 LYS 191 H -0.01 0.44 -0.18 -0.55 8.42 8.11 3ci5A1 LYS 191 HA 0.00 0.03 0.43 -0.75 4.32 4.03 3ci5A1 LYS 191 HB2 0.04 0.02 0.15 -0.04 1.87 2.04 3ci5A1 LYS 191 HB3 -0.01 0.10 0.25 -0.04 1.79 2.09 3ci5A1 LYS 191 HG2 -0.03 -0.02 -0.20 -0.04 1.46 1.17 3ci5A1 LYS 191 HG3 0.01 -0.03 0.04 -0.04 1.46 1.43 3ci5A1 LYS 191 HD2 0.07 -0.01 0.02 -0.04 1.69 1.73 3ci5A1 LYS 191 HD3 0.18 0.02 0.03 -0.04 1.68 1.88 3ci5A1 LYS 191 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.94 3ci5A1 LYS 191 HE3 0.06 0.02 -0.00 -0.04 2.99 3.04 3ci5A1 ILE 192 H -0.26 0.65 0.04 -0.55 8.25 8.13 3ci5A1 ILE 192 HA -0.14 0.05 0.38 -0.75 4.18 3.72 3ci5A1 ILE 192 HB -0.21 -0.07 0.07 -0.04 1.89 1.63 3ci5A1 ILE 192 HG12 -0.36 0.18 0.18 -0.04 1.49 1.44 3ci5A1 ILE 192 HG13 -0.19 -0.04 -0.06 -0.04 1.21 0.88 3ci5A1 ILE 192 HG23 -0.57 0.03 0.01 -0.04 0.93 0.37 3ci5A1 ILE 192 HD13 -0.38 -0.01 -0.06 -0.04 0.88 0.39 3ci5A1 LEU 193 H -0.03 0.59 -0.18 -0.55 8.37 8.20 3ci5A1 LEU 193 HA 0.07 -0.03 0.59 -0.75 4.35 4.23 3ci5A1 LEU 193 HB2 0.19 0.14 0.12 -0.04 1.64 2.05 3ci5A1 LEU 193 HB3 0.38 -0.06 0.07 -0.04 1.64 1.99 3ci5A1 LEU 193 HG 0.00 0.08 0.04 -0.04 1.64 1.72 3ci5A1 LEU 193 HD13 -0.03 -0.03 -0.11 -0.04 0.93 0.72 3ci5A1 LEU 193 HD23 0.13 -0.03 -0.02 -0.04 0.89 0.93 3ci5A1 THR 194 H 0.01 0.44 -0.35 -0.55 8.28 7.84 3ci5A1 THR 194 HA -0.01 0.13 0.48 -0.75 4.39 4.23 3ci5A1 THR 194 HB -0.02 -0.09 0.02 -0.04 4.32 4.19 3ci5A1 THR 194 HG23 0.02 0.05 0.13 -0.04 1.22 1.39 3ci5A1 GLU 195 H -0.05 0.30 -0.14 -0.55 8.60 8.17 3ci5A1 GLU 195 HA -0.06 0.06 0.48 -0.75 4.29 4.01 3ci5A1 GLU 195 HB2 -0.07 0.23 0.16 -0.04 2.09 2.37 3ci5A1 GLU 195 HB3 -0.07 -0.03 -0.00 -0.04 1.99 1.85 3ci5A1 GLU 195 HG2 -0.05 -0.01 0.06 -0.04 2.34 2.30 3ci5A1 GLU 195 HG3 -0.06 0.02 0.09 -0.04 2.34 2.35 3ci5A1 ARG 196 H -0.11 0.22 -0.35 -0.55 8.46 7.66 3ci5A1 ARG 196 HA -0.18 0.13 0.69 -0.75 4.34 4.22 3ci5A1 ARG 196 HB2 -0.15 0.07 0.17 -0.04 1.90 1.95 3ci5A1 ARG 196 HB3 -0.64 -0.02 0.11 -0.04 1.80 1.22 3ci5A1 ARG 196 HG2 -0.10 0.04 0.10 -0.04 1.67 1.66 3ci5A1 ARG 196 HG3 -0.07 -0.04 0.02 -0.04 1.67 1.53 3ci5A1 ARG 196 HD2 0.14 -0.03 0.13 -0.04 3.22 3.42 3ci5A1 ARG 196 HD3 0.10 0.13 0.14 -0.04 3.22 3.55 3ci5A1 GLY 197 H -0.18 0.39 -0.51 -0.55 8.43 7.58 3ci5A1 GLY 197 HA2 -0.14 0.06 0.27 -0.51 4.01 3.69 3ci5A1 GLY 197 HA3 -0.23 0.13 0.69 -0.51 4.01 4.08 3ci5A1 TYR 198 H -0.23 0.38 -0.02 -0.55 8.29 7.86 3ci5A1 TYR 198 HA -0.19 0.12 0.74 -0.75 4.56 4.48 3ci5A1 TYR 198 HB2 0.05 0.04 0.05 -0.04 3.06 3.15 3ci5A1 TYR 198 HB3 -0.31 -0.06 -0.10 -0.04 2.98 2.46 3ci5A1 TYR 198 HD2 0.01 0.00 -0.04 -0.04 7.15 7.08 3ci5A1 TYR 198 HE2 0.03 0.11 0.04 -0.04 6.85 6.98 3ci5A1 SER 199 H -0.18 0.22 0.11 -0.55 8.46 8.06 3ci5A1 SER 199 HA -0.06 0.00 0.73 -0.75 4.49 4.41 3ci5A1 SER 199 HB2 -0.05 0.00 -0.04 -0.04 3.95 3.82 3ci5A1 SER 199 HB3 -0.07 0.00 -0.02 -0.04 3.93 3.81 3ci5A1 PHE 200 H 0.10 0.42 0.05 -0.55 8.34 8.36 3ci5A1 PHE 200 HA 0.02 0.05 0.75 -0.75 4.62 4.68 3ci5A1 PHE 200 HB2 0.00 0.05 0.08 -0.04 3.15 3.25 3ci5A1 PHE 200 HB3 0.00 -0.02 -0.18 -0.04 3.06 2.82 3ci5A1 PHE 200 HD2 0.02 -0.01 -0.07 -0.04 7.28 7.17 3ci5A1 PHE 200 HE2 -0.02 0.01 -0.10 -0.04 7.38 7.22 3ci5A1 PHE 200 HZ -0.14 0.02 -0.13 -0.04 7.32 7.04 3ci5A1 THR 201 H 0.10 -0.10 0.11 -0.55 8.28 7.84 3ci5A1 THR 201 HA 0.07 0.25 0.91 -0.75 4.39 4.87 3ci5A1 THR 201 HB 0.03 0.05 0.00 -0.04 4.32 4.36 3ci5A1 THR 201 HG23 0.02 -0.00 -0.27 -0.04 1.22 0.93 3ci5A1 THR 202 H 0.07 -0.12 0.15 -0.55 8.28 7.84 3ci5A1 THR 202 HA 0.04 0.28 0.58 -0.75 4.39 4.53 3ci5A1 THR 202 HB 0.03 0.03 0.20 -0.04 4.32 4.54 3ci5A1 THR 202 HG23 0.03 0.05 0.06 -0.04 1.22 1.32 3ci5A1 THR 203 H 0.03 0.24 0.17 -0.55 8.28 8.17 3ci5A1 THR 203 HA 0.03 0.14 0.50 -0.75 4.39 4.31 3ci5A1 THR 203 HB 0.03 0.01 0.15 -0.04 4.32 4.47 3ci5A1 THR 203 HG23 0.03 0.02 -0.08 -0.04 1.22 1.15 3ci5A1 ALA 204 H 0.04 0.15 -0.01 -0.55 8.40 8.03 3ci5A1 ALA 204 HA 0.03 0.12 0.35 -0.75 4.34 4.09 3ci5A1 ALA 204 HB3 0.04 0.04 0.06 -0.04 1.41 1.52 3ci5A1 GLU 205 H 0.08 0.00 -0.39 -0.55 8.60 7.74 3ci5A1 GLU 205 HA 0.16 0.11 0.50 -0.75 4.29 4.31 3ci5A1 GLU 205 HB2 0.15 -0.10 0.09 -0.04 2.09 2.19 3ci5A1 GLU 205 HB3 0.44 0.02 0.07 -0.04 1.99 2.48 3ci5A1 GLU 205 HG2 0.26 0.11 0.06 -0.04 2.34 2.73 3ci5A1 GLU 205 HG3 0.12 -0.04 0.03 -0.04 2.34 2.41 3ci5A1 ARG 206 H 0.05 0.60 -0.25 -0.55 8.46 8.31 3ci5A1 ARG 206 HA -0.02 0.04 0.42 -0.75 4.34 4.02 3ci5A1 ARG 206 HB2 0.03 0.11 -0.02 -0.04 1.90 1.98 3ci5A1 ARG 206 HB3 0.02 0.09 0.09 -0.04 1.80 1.96 3ci5A1 ARG 206 HG2 -0.01 -0.05 -0.17 -0.04 1.67 1.40 3ci5A1 ARG 206 HG3 -0.01 -0.04 -0.01 -0.04 1.67 1.57 3ci5A1 ARG 206 HD2 0.01 0.08 -0.06 -0.04 3.22 3.20 3ci5A1 ARG 206 HD3 0.00 -0.00 -0.05 -0.04 3.22 3.12 3ci5A1 GLU 207 H 0.00 0.50 -0.28 -0.55 8.60 8.27 3ci5A1 GLU 207 HA -0.02 0.01 0.44 -0.75 4.29 3.96 3ci5A1 GLU 207 HB2 0.01 0.19 0.15 -0.04 2.09 2.39 3ci5A1 GLU 207 HB3 0.00 -0.01 -0.02 -0.04 1.99 1.92 3ci5A1 GLU 207 HG2 0.01 -0.05 -0.00 -0.04 2.34 2.26 3ci5A1 GLU 207 HG3 0.01 0.08 0.00 -0.04 2.34 2.39 3ci5A1 ILE 208 H -0.05 0.39 -0.18 -0.55 8.25 7.87 3ci5A1 ILE 208 HA -0.05 0.00 0.51 -0.75 4.18 3.89 3ci5A1 ILE 208 HB -0.23 0.21 0.19 -0.04 1.89 2.02 3ci5A1 ILE 208 HG12 0.05 0.00 0.06 -0.04 1.49 1.56 3ci5A1 ILE 208 HG13 0.03 0.30 0.14 -0.04 1.21 1.65 3ci5A1 ILE 208 HG23 -0.22 -0.01 -0.15 -0.04 0.93 0.51 3ci5A1 ILE 208 HD13 0.17 -0.04 0.01 -0.04 0.88 0.98 3ci5A1 VAL 209 H -0.30 0.52 -0.17 -0.55 8.24 7.73 3ci5A1 VAL 209 HA -0.43 0.04 0.37 -0.75 4.13 3.36 3ci5A1 VAL 209 HB -0.15 0.13 0.13 -0.04 2.12 2.19 3ci5A1 VAL 209 HG13 -0.12 -0.02 -0.13 -0.04 0.97 0.67 3ci5A1 VAL 209 HG23 -0.50 0.04 -0.03 -0.04 0.95 0.43 3ci5A1 ARG 210 H -0.11 0.53 -0.21 -0.55 8.46 8.12 3ci5A1 ARG 210 HA -0.05 -0.02 0.38 -0.75 4.34 3.90 3ci5A1 ARG 210 HB2 -0.04 0.04 0.10 -0.04 1.90 1.96 3ci5A1 ARG 210 HB3 -0.04 0.15 0.13 -0.04 1.80 2.00 3ci5A1 ARG 210 HG2 -0.04 0.02 -0.13 -0.04 1.67 1.48 3ci5A1 ARG 210 HG3 -0.03 -0.06 0.02 -0.04 1.67 1.56 3ci5A1 ARG 210 HD2 -0.02 -0.07 -0.06 -0.04 3.22 3.03 3ci5A1 ARG 210 HD3 -0.01 -0.03 -0.04 -0.04 3.22 3.09 3ci5A1 ASP 211 H -0.09 0.46 -0.24 -0.55 8.40 7.98 3ci5A1 ASP 211 HA -0.03 0.00 0.37 -0.75 4.63 4.21 3ci5A1 ASP 211 HB2 0.00 0.05 0.15 -0.04 2.71 2.88 3ci5A1 ASP 211 HB3 -0.02 0.11 0.12 -0.04 2.70 2.87 3ci5A1 ILE 212 H -0.29 0.51 -0.18 -0.55 8.25 7.75 3ci5A1 ILE 212 HA -0.37 0.04 0.41 -0.75 4.18 3.51 3ci5A1 ILE 212 HB -0.34 0.10 0.12 -0.04 1.89 1.73 3ci5A1 ILE 212 HG12 -1.29 -0.02 -0.08 -0.04 1.49 0.07 3ci5A1 ILE 212 HG13 -1.04 0.10 -0.03 -0.04 1.21 0.20 3ci5A1 ILE 212 HG23 -0.19 -0.01 -0.22 -0.04 0.93 0.47 3ci5A1 ILE 212 HD13 -0.53 -0.03 -0.16 -0.04 0.88 0.12 3ci5A1 LYS 213 H -0.10 0.62 -0.11 -0.55 8.42 8.27 3ci5A1 LYS 213 HA 0.07 -0.00 0.47 -0.75 4.32 4.11 3ci5A1 LYS 213 HB2 0.02 -0.01 0.07 -0.04 1.87 1.91 3ci5A1 LYS 213 HB3 -0.00 0.14 0.16 -0.04 1.79 2.05 3ci5A1 LYS 213 HG2 0.17 0.04 -0.25 -0.04 1.46 1.37 3ci5A1 LYS 213 HG3 0.32 -0.03 -0.05 -0.04 1.46 1.65 3ci5A1 LYS 213 HD2 0.31 -0.08 -0.14 -0.04 1.69 1.74 3ci5A1 LYS 213 HD3 0.11 -0.02 -0.24 -0.04 1.68 1.48 3ci5A1 LYS 213 HE2 -0.00 0.08 0.00 -0.04 2.99 3.03 3ci5A1 LYS 213 HE3 -0.04 0.03 -0.10 -0.04 2.99 2.84 3ci5A1 GLU 214 H -0.05 0.54 -0.14 -0.55 8.60 8.41 3ci5A1 GLU 214 HA -0.13 0.00 0.29 -0.75 4.29 3.69 3ci5A1 GLU 214 HB2 -0.04 0.05 0.10 -0.04 2.09 2.16 3ci5A1 GLU 214 HB3 -0.07 -0.04 0.03 -0.04 1.99 1.86 3ci5A1 GLU 214 HG2 -0.13 -0.08 -0.03 -0.04 2.34 2.06 3ci5A1 GLU 214 HG3 -0.07 0.23 0.05 -0.04 2.34 2.52 3ci5A1 LYS 215 H -0.01 0.40 -0.21 -0.55 8.42 8.05 3ci5A1 LYS 215 HA 0.03 0.12 0.72 -0.75 4.32 4.43 3ci5A1 LYS 215 HB2 0.07 0.09 0.12 -0.04 1.87 2.11 3ci5A1 LYS 215 HB3 0.09 -0.04 0.01 -0.04 1.79 1.81 3ci5A1 LYS 215 HG2 0.04 -0.01 0.00 -0.04 1.46 1.44 3ci5A1 LYS 215 HG3 0.03 -0.05 -0.03 -0.04 1.46 1.38 3ci5A1 LYS 215 HD2 0.18 -0.03 -0.04 -0.04 1.69 1.76 3ci5A1 LYS 215 HD3 0.12 0.00 -0.01 -0.04 1.68 1.75 3ci5A1 LYS 215 HE2 0.05 -0.03 -0.01 -0.04 2.99 2.97 3ci5A1 LYS 215 HE3 0.03 0.01 -0.00 -0.04 2.99 2.99 3ci5A1 LEU 216 H 0.05 0.42 0.04 -0.55 8.37 8.33 3ci5A1 LEU 216 HA 0.12 0.22 0.97 -0.75 4.35 4.90 3ci5A1 LEU 216 HB2 0.03 0.04 0.02 -0.04 1.64 1.68 3ci5A1 LEU 216 HB3 0.10 -0.05 0.04 -0.04 1.64 1.69 3ci5A1 LEU 216 HG 0.09 -0.06 -0.15 -0.04 1.64 1.47 3ci5A1 LEU 216 HD13 0.10 -0.03 -0.14 -0.04 0.93 0.82 3ci5A1 LEU 216 HD23 0.11 0.06 -0.12 -0.04 0.89 0.90 3ci5A1 ALA 217 H 0.15 0.25 0.11 -0.55 8.40 8.36 3ci5A1 ALA 217 HA 0.16 0.05 0.68 -0.75 4.34 4.48 3ci5A1 ALA 217 HB3 0.26 -0.00 0.21 -0.04 1.41 1.83 3ci5A1 TYR 218 H 0.01 0.53 0.23 -0.55 8.29 8.51 3ci5A1 TYR 218 HA 0.24 0.09 0.45 -0.75 4.56 4.59 3ci5A1 TYR 218 HB2 0.11 -0.00 -0.03 -0.04 3.06 3.10 3ci5A1 TYR 218 HB3 0.13 0.18 -0.21 -0.04 2.98 3.04 3ci5A1 TYR 218 HD2 0.10 0.18 -0.40 -0.04 7.15 6.99 3ci5A1 TYR 218 HE2 0.04 -0.01 -0.12 -0.04 6.85 6.72 3ci5A1 VAL 219 H 0.26 0.74 0.13 -0.55 8.24 8.81 3ci5A1 VAL 219 HA 0.00 0.10 0.78 -0.75 4.13 4.26 3ci5A1 VAL 219 HB 0.11 -0.08 -0.29 -0.04 2.12 1.82 3ci5A1 VAL 219 HG13 -0.12 0.01 -0.25 -0.04 0.97 0.57 3ci5A1 VAL 219 HG23 0.12 -0.01 -0.17 -0.04 0.95 0.84 3ci5A1 ALA 220 H 0.03 0.17 0.05 -0.55 8.40 8.10 3ci5A1 ALA 220 HA 0.09 0.09 0.48 -0.75 4.34 4.24 3ci5A1 ALA 220 HB3 -0.14 0.00 -0.10 -0.04 1.41 1.13 3ci5A1 LEU 221 H -0.01 0.16 0.10 -0.55 8.37 8.07 3ci5A1 LEU 221 HA -0.09 0.10 0.45 -0.75 4.35 4.06 3ci5A1 LEU 221 HB2 -0.03 0.04 0.09 -0.04 1.64 1.69 3ci5A1 LEU 221 HB3 -0.04 -0.03 0.08 -0.04 1.64 1.60 3ci5A1 LEU 221 HG -0.05 0.00 -0.15 -0.04 1.64 1.40 3ci5A1 LEU 221 HD13 -0.05 -0.01 -0.08 -0.04 0.93 0.75 3ci5A1 LEU 221 HD23 -0.03 0.01 -0.03 -0.04 0.89 0.81 3ci5A1 ASP 222 H -0.06 0.11 -0.13 -0.55 8.40 7.78 3ci5A1 ASP 222 HA -0.04 0.20 0.75 -0.75 4.63 4.79 3ci5A1 ASP 222 HB2 -0.04 0.13 -0.07 -0.04 2.71 2.69 3ci5A1 ASP 222 HB3 -0.06 -0.01 0.11 -0.04 2.70 2.70 3ci5A1 PHE 223 H 0.11 0.28 0.00 -0.55 8.34 8.17 3ci5A1 PHE 223 HA -0.08 0.06 0.12 -0.75 4.62 3.97 3ci5A1 PHE 223 HB2 -0.03 0.09 0.04 -0.04 3.15 3.21 3ci5A1 PHE 223 HB3 0.01 -0.00 0.10 -0.04 3.06 3.12 3ci5A1 PHE 223 HD2 0.21 -0.01 -0.08 -0.04 7.28 7.36 3ci5A1 PHE 223 HE2 0.31 0.03 -0.11 -0.04 7.38 7.57 3ci5A1 PHE 223 HZ 0.22 0.04 -0.03 -0.04 7.32 7.50 3ci5A1 GLU 224 H 0.09 0.12 -0.06 -0.55 8.60 8.21 3ci5A1 GLU 224 HA -0.12 0.11 0.37 -0.75 4.29 3.89 3ci5A1 GLU 224 HB2 -0.00 -0.02 0.05 -0.04 2.09 2.08 3ci5A1 GLU 224 HB3 0.00 0.10 0.03 -0.04 1.99 2.08 3ci5A1 GLU 224 HG2 0.06 0.10 0.02 -0.04 2.34 2.48 3ci5A1 GLU 224 HG3 0.14 0.06 0.03 -0.04 2.34 2.52 3ci5A1 ALA 225 H -0.06 0.06 -0.28 -0.55 8.40 7.57 3ci5A1 ALA 225 HA -0.07 0.09 0.42 -0.75 4.34 4.03 3ci5A1 ALA 225 HB3 -0.06 0.04 0.03 -0.04 1.41 1.38 3ci5A1 GLU 226 H -0.23 0.42 -0.25 -0.55 8.60 8.00 3ci5A1 GLU 226 HA -0.25 0.06 0.52 -0.75 4.29 3.86 3ci5A1 GLU 226 HB2 -0.43 0.04 0.08 -0.04 2.09 1.73 3ci5A1 GLU 226 HB3 -1.06 0.06 0.04 -0.04 1.99 1.00 3ci5A1 GLU 226 HG2 -1.49 -0.03 -0.05 -0.04 2.34 0.73 3ci5A1 GLU 226 HG3 -1.12 -0.01 -0.02 -0.04 2.34 1.15 3ci5A1 MET 227 H -0.30 0.55 -0.07 -0.55 8.47 8.10 3ci5A1 MET 227 HA 0.17 -0.01 0.47 -0.75 4.52 4.40 3ci5A1 MET 227 HB2 -0.21 0.15 0.19 -0.04 2.15 2.24 3ci5A1 MET 227 HB3 -0.09 -0.00 0.01 -0.04 2.03 1.90 3ci5A1 MET 227 HG2 -0.95 0.09 0.03 -0.04 2.63 1.75 3ci5A1 MET 227 HG3 -0.56 -0.02 -0.02 -0.04 2.56 1.92 3ci5A1 MET 227 HE3 -0.02 0.01 -0.01 -0.04 2.10 2.04 3ci5A1 GLN 228 H -0.09 0.48 -0.11 -0.55 8.47 8.21 3ci5A1 GLN 228 HA -0.02 0.05 0.43 -0.75 4.36 4.06 3ci5A1 GLN 228 HB2 -0.04 0.01 0.10 -0.04 2.15 2.18 3ci5A1 GLN 228 HB3 -0.05 0.06 0.17 -0.04 2.02 2.16 3ci5A1 GLN 228 HG2 -0.02 0.02 -0.19 -0.04 2.40 2.17 3ci5A1 GLN 228 HG3 -0.02 -0.00 0.02 -0.04 2.39 2.35 3ci5A1 GLN 228 HE21 -0.01 -0.00 -0.02 -0.04 6.97 6.89 3ci5A1 GLN 228 HE22 -0.01 0.02 -0.04 -0.04 7.69 7.62 3ci5A1 THR 229 H -0.05 0.53 -0.11 -0.55 8.28 8.10 3ci5A1 THR 229 HA -0.01 0.03 0.43 -0.75 4.39 4.08 3ci5A1 THR 229 HB -0.05 0.10 0.14 -0.04 4.32 4.47 3ci5A1 THR 229 HG23 -0.00 -0.02 -0.11 -0.04 1.22 1.05 3ci5A1 ALA 230 H 0.05 0.49 -0.25 -0.55 8.40 8.15 3ci5A1 ALA 230 HA 0.09 -0.00 0.46 -0.75 4.34 4.13 3ci5A1 ALA 230 HB3 0.21 -0.02 0.11 -0.04 1.41 1.67 3ci5A1 ALA 231 H 0.02 0.47 -0.14 -0.55 8.40 8.20 3ci5A1 ALA 231 HA 0.01 0.01 0.53 -0.75 4.34 4.14 3ci5A1 ALA 231 HB3 -0.00 -0.01 0.10 -0.04 1.41 1.47 3ci5A1 SER 232 H 0.01 0.28 -0.32 -0.55 8.46 7.88 3ci5A1 SER 232 HA 0.00 0.07 0.45 -0.75 4.49 4.26 3ci5A1 SER 232 HB2 0.00 0.03 0.08 -0.04 3.95 4.03 3ci5A1 SER 232 HB3 -0.00 -0.08 0.08 -0.04 3.93 3.89 3ci5A1 SER 233 H 0.02 0.40 -0.14 -0.55 8.46 8.20 3ci5A1 SER 233 HA 0.01 0.12 0.53 -0.75 4.49 4.39 3ci5A1 SER 233 HB2 0.01 -0.08 0.18 -0.04 3.95 4.02 3ci5A1 SER 233 HB3 0.01 0.16 -0.26 -0.04 3.93 3.80 3ci5A1 SER 234 H 0.02 0.19 0.13 -0.55 8.46 8.25 3ci5A1 SER 234 HA 0.04 0.20 0.80 -0.75 4.49 4.77 3ci5A1 SER 234 HB2 0.03 -0.01 0.15 -0.04 3.95 4.09 3ci5A1 SER 234 HB3 0.02 0.04 0.06 -0.04 3.93 4.01 3ci5A1 ALA 235 H 0.03 0.14 -0.31 -0.55 8.40 7.71 3ci5A1 ALA 235 HA 0.02 0.10 0.27 -0.75 4.34 3.98 3ci5A1 ALA 235 HB3 0.02 0.01 0.03 -0.04 1.41 1.42 3ci5A1 LEU 236 H 0.07 0.07 -0.32 -0.55 8.37 7.64 3ci5A1 LEU 236 HA 0.09 0.20 0.59 -0.75 4.35 4.47 3ci5A1 LEU 236 HB2 0.20 -0.04 -0.06 -0.04 1.64 1.69 3ci5A1 LEU 236 HB3 0.30 -0.00 0.03 -0.04 1.64 1.93 3ci5A1 LEU 236 HG 0.08 -0.05 -0.17 -0.04 1.64 1.46 3ci5A1 LEU 236 HD13 0.11 -0.02 -0.06 -0.04 0.93 0.92 3ci5A1 LEU 236 HD23 0.06 0.02 -0.14 -0.04 0.89 0.80 3ci5A1 GLU 237 H 0.07 0.26 -0.32 -0.55 8.60 8.06 3ci5A1 GLU 237 HA 0.09 0.18 0.62 -0.75 4.29 4.42 3ci5A1 GLU 237 HB2 0.05 0.13 0.07 -0.04 2.09 2.30 3ci5A1 GLU 237 HB3 0.06 -0.08 0.00 -0.04 1.99 1.94 3ci5A1 GLU 237 HG2 0.07 -0.12 -0.02 -0.04 2.34 2.22 3ci5A1 GLU 237 HG3 0.06 -0.06 0.07 -0.04 2.34 2.38 3ci5A1 LYS 238 H 0.08 0.39 0.41 -0.55 8.42 8.75 3ci5A1 LYS 238 HA 0.07 0.14 0.79 -0.75 4.32 4.56 3ci5A1 LYS 238 HB2 0.10 0.13 -0.11 -0.04 1.87 1.95 3ci5A1 LYS 238 HB3 0.10 -0.09 -0.00 -0.04 1.79 1.75 3ci5A1 LYS 238 HG2 0.09 0.00 0.02 -0.04 1.46 1.53 3ci5A1 LYS 238 HG3 0.07 -0.07 0.15 -0.04 1.46 1.57 3ci5A1 LYS 238 HD2 0.06 0.15 0.05 -0.04 1.69 1.90 3ci5A1 LYS 238 HD3 0.07 0.02 -0.02 -0.04 1.68 1.72 3ci5A1 LYS 238 HE2 0.05 0.01 0.04 -0.04 2.99 3.04 3ci5A1 LYS 238 HE3 0.04 -0.04 0.06 -0.04 2.99 3.01 3ci5A1 SER 239 H 0.06 0.18 0.19 -0.55 8.46 8.35 3ci5A1 SER 239 HA 0.08 0.00 1.05 -0.75 4.49 4.87 3ci5A1 SER 239 HB2 0.03 0.00 0.10 -0.04 3.95 4.05 3ci5A1 SER 239 HB3 0.03 0.00 -0.01 -0.04 3.93 3.91 3ci5A1 TYR 240 H 0.11 0.65 0.32 -0.55 8.29 8.82 3ci5A1 TYR 240 HA -0.01 0.17 0.82 -0.75 4.56 4.79 3ci5A1 TYR 240 HB2 -0.01 0.05 -0.21 -0.04 3.06 2.85 3ci5A1 TYR 240 HB3 -0.04 -0.07 -0.03 -0.04 2.98 2.80 3ci5A1 TYR 240 HD2 -0.03 -0.02 -0.23 -0.04 7.15 6.83 3ci5A1 TYR 240 HE2 -0.04 -0.05 -0.15 -0.04 6.85 6.56 3ci5A1 GLU 241 H -0.53 0.20 0.11 -0.55 8.60 7.83 3ci5A1 GLU 241 HA -0.11 0.23 0.90 -0.75 4.29 4.56 3ci5A1 GLU 241 HB2 -0.14 -0.06 0.02 -0.04 2.09 1.88 3ci5A1 GLU 241 HB3 -0.22 -0.03 0.09 -0.04 1.99 1.78 3ci5A1 GLU 241 HG2 -0.08 0.14 -0.15 -0.04 2.34 2.20 3ci5A1 GLU 241 HG3 -0.06 0.07 -0.11 -0.04 2.34 2.20 3ci5A1 LEU 242 H -0.02 0.73 0.23 -0.55 8.37 8.76 3ci5A1 LEU 242 HA 0.09 0.08 0.49 -0.75 4.35 4.26 3ci5A1 LEU 242 HB2 0.04 -0.09 0.06 -0.04 1.64 1.61 3ci5A1 LEU 242 HB3 0.10 -0.06 0.11 -0.04 1.64 1.75 3ci5A1 LEU 242 HG 0.08 0.13 -0.07 -0.04 1.64 1.74 3ci5A1 LEU 242 HD13 0.10 -0.01 -0.05 -0.04 0.93 0.92 3ci5A1 LEU 242 HD23 0.31 -0.01 -0.14 -0.04 0.89 1.01 3ci5A1 PRO 243 HA -0.01 0.17 0.46 -0.51 4.44 4.55 3ci5A1 PRO 243 HB2 0.03 0.00 0.01 -0.04 2.28 2.28 3ci5A1 PRO 243 HB3 0.01 0.07 0.09 -0.04 2.02 2.15 3ci5A1 PRO 243 HG2 0.05 -0.00 0.07 -0.04 2.03 2.10 3ci5A1 PRO 243 HG3 0.04 0.09 0.08 -0.04 2.03 2.19 3ci5A1 PRO 243 HD2 0.09 0.03 0.19 -0.04 3.68 3.95 3ci5A1 PRO 243 HD3 0.10 0.14 0.22 -0.04 3.65 4.06 3ci5A1 ASP 244 H 0.03 0.04 -0.16 -0.55 8.40 7.76 3ci5A1 ASP 244 HA 0.01 0.16 0.52 -0.75 4.63 4.57 3ci5A1 ASP 244 HB2 0.01 0.07 0.11 -0.04 2.71 2.86 3ci5A1 ASP 244 HB3 0.02 -0.03 0.08 -0.04 2.70 2.73 3ci5A1 GLY 245 H -0.01 0.27 -0.64 -0.55 8.43 7.51 3ci5A1 GLY 245 HA2 -0.02 0.09 0.20 -0.51 4.01 3.77 3ci5A1 GLY 245 HA3 -0.01 0.17 0.62 -0.51 4.01 4.28 3ci5A1 GLN 246 H 0.01 -0.01 -0.29 -0.55 8.47 7.63 3ci5A1 GLN 246 HA 0.01 0.09 0.43 -0.75 4.36 4.13 3ci5A1 GLN 246 HB2 0.01 0.01 0.04 -0.04 2.15 2.17 3ci5A1 GLN 246 HB3 0.02 -0.10 -0.03 -0.04 2.02 1.87 3ci5A1 GLN 246 HG2 0.02 0.10 -0.03 -0.04 2.40 2.45 3ci5A1 GLN 246 HG3 0.02 0.03 0.04 -0.04 2.39 2.44 3ci5A1 GLN 246 HE21 0.10 -0.00 -0.03 -0.04 6.97 6.99 3ci5A1 GLN 246 HE22 0.07 0.09 -0.02 -0.04 7.69 7.79 3ci5A1 VAL 247 H 0.01 0.19 0.20 -0.55 8.24 8.09 3ci5A1 VAL 247 HA -0.01 0.21 0.99 -0.75 4.13 4.57 3ci5A1 VAL 247 HB 0.01 -0.02 0.13 -0.04 2.12 2.20 3ci5A1 VAL 247 HG13 0.02 -0.02 -0.15 -0.04 0.97 0.78 3ci5A1 VAL 247 HG23 -0.02 0.03 -0.09 -0.04 0.95 0.83 3ci5A1 ILE 248 H 0.03 0.73 0.34 -0.55 8.25 8.81 3ci5A1 ILE 248 HA 0.03 0.24 0.98 -0.75 4.18 4.67 3ci5A1 ILE 248 HB -0.69 0.01 0.07 -0.04 1.89 1.24 3ci5A1 ILE 248 HG12 0.07 0.14 0.02 -0.04 1.49 1.67 3ci5A1 ILE 248 HG13 -0.00 -0.07 -0.17 -0.04 1.21 0.94 3ci5A1 ILE 248 HG23 -0.34 -0.00 -0.17 -0.04 0.93 0.38 3ci5A1 ILE 248 HD13 -0.15 -0.01 -0.13 -0.04 0.88 0.55 3ci5A1 THR 249 H 0.23 0.24 0.18 -0.55 8.28 8.38 3ci5A1 THR 249 HA 0.09 0.29 1.12 -0.75 4.39 5.14 3ci5A1 THR 249 HB 0.13 0.01 0.09 -0.04 4.32 4.51 3ci5A1 THR 249 HG23 0.08 -0.01 -0.18 -0.04 1.22 1.07 3ci5A1 ILE 250 H 0.09 0.70 0.35 -0.55 8.25 8.84 3ci5A1 ILE 250 HA 0.10 0.00 0.95 -0.75 4.18 4.47 3ci5A1 ILE 250 HB 0.04 0.00 -0.13 -0.04 1.89 1.76 3ci5A1 ILE 250 HG12 0.03 0.09 -0.26 -0.04 1.49 1.30 3ci5A1 ILE 250 HG13 0.01 0.00 -0.05 -0.04 1.21 1.13 3ci5A1 ILE 250 HG23 0.06 0.04 -0.01 -0.04 0.93 0.97 3ci5A1 ILE 250 HD13 -0.02 0.01 -0.22 -0.04 0.88 0.61 3ci5A1 GLY 251 H 0.03 0.09 0.07 -0.55 8.43 8.07 3ci5A1 GLY 251 HA2 0.08 0.33 0.78 -0.51 4.01 4.68 3ci5A1 GLY 251 HA3 0.03 0.07 0.37 -0.51 4.01 3.97 3ci5A1 ASN 252 H -0.06 0.26 0.13 -0.55 8.53 8.31 3ci5A1 ASN 252 HA -0.50 0.13 0.33 -0.75 4.76 3.96 3ci5A1 ASN 252 HB2 -0.62 -0.02 0.11 -0.04 2.88 2.31 3ci5A1 ASN 252 HB3 -0.05 0.10 0.11 -0.04 2.79 2.90 3ci5A1 ASN 252 HD21 -0.07 0.06 -0.01 -0.04 7.03 6.97 3ci5A1 ASN 252 HD22 -0.04 0.05 0.01 -0.04 7.74 7.71 3ci5A1 GLU 253 H -0.14 0.02 -0.47 -0.55 8.60 7.46 3ci5A1 GLU 253 HA -0.21 0.05 0.43 -0.75 4.29 3.81 3ci5A1 GLU 253 HB2 -0.06 -0.02 -0.06 -0.04 2.09 1.91 3ci5A1 GLU 253 HB3 -0.10 0.04 -0.05 -0.04 1.99 1.84 3ci5A1 GLU 253 HG2 -0.07 0.08 -0.19 -0.04 2.34 2.12 3ci5A1 GLU 253 HG3 -0.13 0.02 -0.06 -0.04 2.34 2.13 3ci5A1 ARG 254 H -0.11 0.48 -0.30 -0.55 8.46 7.99 3ci5A1 ARG 254 HA -0.00 0.03 0.31 -0.75 4.34 3.93 3ci5A1 ARG 254 HB2 0.14 -0.01 0.06 -0.04 1.90 2.04 3ci5A1 ARG 254 HB3 0.21 0.13 0.02 -0.04 1.80 2.11 3ci5A1 ARG 254 HG2 0.11 -0.05 -0.11 -0.04 1.67 1.58 3ci5A1 ARG 254 HG3 0.07 -0.10 -0.09 -0.04 1.67 1.51 3ci5A1 ARG 254 HD2 0.16 -0.05 0.02 -0.04 3.22 3.30 3ci5A1 ARG 254 HD3 0.29 0.10 0.04 -0.04 3.22 3.61 3ci5A1 PHE 255 H -0.59 0.19 -0.19 -0.55 8.34 7.20 3ci5A1 PHE 255 HA -0.31 0.47 1.08 -0.75 4.62 5.10 3ci5A1 PHE 255 HB2 -0.21 -0.23 0.12 -0.04 3.15 2.79 3ci5A1 PHE 255 HB3 -1.13 0.07 -0.08 -0.04 3.06 1.87 3ci5A1 PHE 255 HD2 0.06 -0.00 -0.14 -0.04 7.28 7.16 3ci5A1 PHE 255 HE2 -0.22 0.01 -0.10 -0.04 7.38 7.03 3ci5A1 PHE 255 HZ -0.11 0.06 -0.27 -0.04 7.32 6.97 3ci5A1 ARG 256 H -0.45 0.48 0.04 -0.55 8.46 7.98 3ci5A1 ARG 256 HA 0.30 0.01 0.55 -0.75 4.34 4.45 3ci5A1 ARG 256 HB2 -0.16 0.00 0.12 -0.04 1.90 1.81 3ci5A1 ARG 256 HB3 0.07 -0.00 -0.04 -0.04 1.80 1.79 3ci5A1 ARG 256 HG2 0.30 -0.02 0.01 -0.04 1.67 1.92 3ci5A1 ARG 256 HG3 -0.19 -0.00 0.01 -0.04 1.67 1.45 3ci5A1 ARG 256 HD2 -0.12 -0.01 -0.08 -0.04 3.22 2.97 3ci5A1 ARG 256 HD3 -0.22 -0.09 -0.38 -0.04 3.22 2.49 3ci5A1 CYS 257 H -0.06 0.45 -0.19 -0.55 8.50 8.15 3ci5A1 CYS 257 HA 0.26 0.02 0.36 -0.75 4.58 4.46 3ci5A1 CYS 257 HB2 -0.04 -0.02 0.08 -0.04 2.97 2.95 3ci5A1 CYS 257 HB3 -0.02 0.18 0.11 -0.04 2.97 3.20 3ci5A1 PRO 258 HA -0.31 0.04 0.50 -0.51 4.44 4.15 3ci5A1 PRO 258 HB2 -0.62 -0.04 -0.07 -0.04 2.28 1.51 3ci5A1 PRO 258 HB3 -2.15 0.01 -0.02 -0.04 2.02 -0.17 3ci5A1 PRO 258 HG2 -0.24 0.16 -0.12 -0.04 2.03 1.79 3ci5A1 PRO 258 HG3 -0.52 0.03 -0.14 -0.04 2.03 1.36 3ci5A1 PRO 258 HD2 -0.11 0.04 -0.20 -0.04 3.68 3.37 3ci5A1 PRO 258 HD3 -0.15 0.12 0.08 -0.04 3.65 3.66 3ci5A1 GLU 259 H -0.03 0.41 -0.55 -0.55 8.60 7.87 3ci5A1 GLU 259 HA -0.05 -0.03 0.46 -0.75 4.29 3.91 3ci5A1 GLU 259 HB2 -0.11 0.21 0.18 -0.04 2.09 2.33 3ci5A1 GLU 259 HB3 -0.10 0.21 0.11 -0.04 1.99 2.16 3ci5A1 GLU 259 HG2 -1.69 0.01 -0.00 -0.04 2.34 0.61 3ci5A1 GLU 259 HG3 -1.05 -0.05 -0.07 -0.04 2.34 1.12 3ci5A1 ALA 260 H -0.08 0.51 -0.37 -0.55 8.40 7.91 3ci5A1 ALA 260 HA -0.46 0.16 0.22 -0.75 4.34 3.51 3ci5A1 ALA 260 HB3 -0.20 0.03 -0.02 -0.04 1.41 1.17 3ci5A1 LEU 261 H -0.18 0.48 -0.46 -0.55 8.37 7.66 3ci5A1 LEU 261 HA -0.23 0.03 0.39 -0.75 4.35 3.80 3ci5A1 LEU 261 HB2 -0.39 0.22 0.06 -0.04 1.64 1.48 3ci5A1 LEU 261 HB3 -0.54 -0.16 -0.05 -0.04 1.64 0.85 3ci5A1 LEU 261 HG -0.14 0.00 -0.06 -0.04 1.64 1.40 3ci5A1 LEU 261 HD13 -0.08 0.02 -0.02 -0.04 0.93 0.82 3ci5A1 LEU 261 HD23 -0.11 -0.04 -0.12 -0.04 0.89 0.59 3ci5A1 PHE 262 H -0.06 0.45 -0.19 -0.55 8.34 7.98 3ci5A1 PHE 262 HA 0.04 -0.18 0.81 -0.75 4.62 4.53 3ci5A1 PHE 262 HB2 -0.27 0.15 0.10 -0.04 3.15 3.09 3ci5A1 PHE 262 HB3 -0.29 -0.03 0.08 -0.04 3.06 2.78 3ci5A1 PHE 262 HD2 -0.25 0.03 0.01 -0.04 7.28 7.04 3ci5A1 PHE 262 HE2 -0.05 0.01 -0.11 -0.04 7.38 7.19 3ci5A1 PHE 262 HZ -0.01 0.04 -0.05 -0.04 7.32 7.25 3ci5A1 GLN 263 H -0.32 0.52 -0.07 -0.55 8.47 8.05 3ci5A1 GLN 263 HA -0.16 0.19 0.88 -0.75 4.36 4.51 3ci5A1 GLN 263 HB2 -1.40 0.02 0.08 -0.04 2.15 0.80 3ci5A1 GLN 263 HB3 -0.46 -0.03 0.09 -0.04 2.02 1.57 3ci5A1 GLN 263 HG2 -0.17 0.10 -0.12 -0.04 2.40 2.17 3ci5A1 GLN 263 HG3 -0.41 -0.04 -0.21 -0.04 2.39 1.70 3ci5A1 GLN 263 HE21 -0.05 -0.01 -0.03 -0.04 6.97 6.83 3ci5A1 GLN 263 HE22 -0.50 -0.03 -0.04 -0.04 7.69 7.09 3ci5A1 PRO 264 HA -0.15 0.12 0.39 -0.51 4.44 4.29 3ci5A1 PRO 264 HB2 -0.07 0.18 -0.19 -0.04 2.28 2.15 3ci5A1 PRO 264 HB3 -0.09 -0.08 -0.05 -0.04 2.02 1.76 3ci5A1 PRO 264 HG2 -0.09 0.14 -0.56 -0.04 2.03 1.48 3ci5A1 PRO 264 HG3 -0.13 0.05 -0.16 -0.04 2.03 1.75 3ci5A1 PRO 264 HD2 -0.07 0.20 -0.03 -0.04 3.68 3.73 3ci5A1 PRO 264 HD3 -0.09 0.03 -0.63 -0.04 3.65 2.92 3ci5A1 SER 265 H -0.05 0.11 -0.43 -0.55 8.46 7.54 3ci5A1 SER 265 HA 0.01 0.19 0.50 -0.75 4.49 4.44 3ci5A1 SER 265 HB2 0.06 0.01 0.04 -0.04 3.95 4.02 3ci5A1 SER 265 HB3 0.02 0.08 0.06 -0.04 3.93 4.05 3ci5A1 PHE 266 H 0.10 0.57 -0.27 -0.55 8.34 8.18 3ci5A1 PHE 266 HA -0.09 0.05 0.37 -0.75 4.62 4.19 3ci5A1 PHE 266 HB2 -0.31 0.06 0.09 -0.04 3.15 2.96 3ci5A1 PHE 266 HB3 -0.51 -0.02 0.00 -0.04 3.06 2.49 3ci5A1 PHE 266 HD2 -0.04 -0.00 -0.04 -0.04 7.28 7.15 3ci5A1 PHE 266 HE2 -0.17 -0.02 -0.01 -0.04 7.38 7.14 3ci5A1 PHE 266 HZ -0.39 -0.05 -0.03 -0.04 7.32 6.80 3ci5A1 LEU 267 H -0.07 0.46 -0.43 -0.55 8.37 7.78 3ci5A1 LEU 267 HA -0.14 0.18 0.79 -0.75 4.35 4.43 3ci5A1 LEU 267 HB2 -0.10 0.02 0.03 -0.04 1.64 1.55 3ci5A1 LEU 267 HB3 -0.10 -0.02 0.13 -0.04 1.64 1.61 3ci5A1 LEU 267 HG -0.24 -0.00 -0.06 -0.04 1.64 1.30 3ci5A1 LEU 267 HD13 -0.11 -0.02 -0.09 -0.04 0.93 0.67 3ci5A1 LEU 267 HD23 -0.64 0.02 -0.23 -0.04 0.89 -0.00 3ci5A1 GLY 268 H -0.01 0.62 -0.35 -0.55 8.43 8.14 3ci5A1 GLY 268 HA2 -0.00 0.06 0.30 -0.51 4.01 3.87 3ci5A1 GLY 268 HA3 -0.01 0.03 0.41 -0.51 4.01 3.94 3ci5A1 MET 269 H -0.03 0.33 -0.16 -0.55 8.47 8.05 3ci5A1 MET 269 HA -0.03 0.15 0.80 -0.75 4.52 4.69 3ci5A1 MET 269 HB2 -0.06 0.07 -0.11 -0.04 2.15 2.02 3ci5A1 MET 269 HB3 -0.05 -0.19 -0.04 -0.04 2.03 1.71 3ci5A1 MET 269 HG2 -0.04 0.02 -0.05 -0.04 2.63 2.52 3ci5A1 MET 269 HG3 -0.05 0.14 -0.25 -0.04 2.56 2.36 3ci5A1 MET 269 HE3 -0.06 -0.04 -0.10 -0.04 2.10 1.86 3ci5A1 GLU 270 H -0.02 0.14 0.11 -0.55 8.60 8.27 3ci5A1 GLU 270 HA -0.01 0.18 0.64 -0.75 4.29 4.34 3ci5A1 GLU 270 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.07 3ci5A1 GLU 270 HB3 -0.01 0.01 0.06 -0.04 1.99 2.01 3ci5A1 GLU 270 HG2 -0.00 0.03 -0.03 -0.04 2.34 2.29 3ci5A1 GLU 270 HG3 -0.01 0.02 -0.12 -0.04 2.34 2.19 3ci5A1 SER 271 H -0.04 -0.05 -0.15 -0.55 8.46 7.68 3ci5A1 SER 271 HA -0.04 0.04 0.37 -0.75 4.49 4.11 3ci5A1 SER 271 HB2 -0.06 -0.03 -0.06 -0.04 3.95 3.75 3ci5A1 SER 271 HB3 -0.06 0.10 -0.00 -0.04 3.93 3.93 3ci5A1 ALA 272 H -0.05 0.07 0.14 -0.55 8.40 8.01 3ci5A1 ALA 272 HA -0.06 0.12 0.55 -0.75 4.34 4.19 3ci5A1 ALA 272 HB3 -0.08 -0.01 0.07 -0.04 1.41 1.35 3ci5A1 GLY 273 H -0.07 0.15 0.18 -0.55 8.43 8.14 3ci5A1 GLY 273 HA2 -0.09 0.23 0.39 -0.51 4.01 4.04 3ci5A1 GLY 273 HA3 0.08 0.17 0.42 -0.51 4.01 4.16 3ci5A1 ILE 274 H -0.20 0.71 0.27 -0.55 8.25 8.48 3ci5A1 ILE 274 HA -0.10 0.00 0.23 -0.75 4.18 3.55 3ci5A1 ILE 274 HB -0.12 0.00 -0.05 -0.04 1.89 1.68 3ci5A1 ILE 274 HG12 -0.76 0.17 -0.15 -0.04 1.49 0.71 3ci5A1 ILE 274 HG13 -0.42 0.00 -0.10 -0.04 1.21 0.65 3ci5A1 ILE 274 HG23 -0.18 0.03 0.01 -0.04 0.93 0.76 3ci5A1 ILE 274 HD13 -0.46 0.00 -0.11 -0.04 0.88 0.28 3ci5A1 HIS 275 H 0.43 0.18 -0.23 -0.55 8.41 8.24 3ci5A1 HIS 275 HA 0.09 0.09 0.43 -0.75 4.63 4.48 3ci5A1 HIS 275 HB2 0.12 0.06 -0.09 -0.04 3.26 3.32 3ci5A1 HIS 275 HB3 0.28 0.02 0.04 -0.04 3.20 3.49 3ci5A1 HIS 275 HD2 0.04 0.11 -0.09 -0.04 6.97 6.99 3ci5A1 HIS 275 HE1 0.05 0.36 0.21 -0.04 7.75 8.32 3ci5A1 GLU 276 H -0.81 0.18 -0.21 -0.55 8.60 7.21 3ci5A1 GLU 276 HA -0.06 0.12 0.48 -0.75 4.29 4.08 3ci5A1 GLU 276 HB2 -0.37 0.03 0.08 -0.04 2.09 1.79 3ci5A1 GLU 276 HB3 -0.11 0.03 -0.07 -0.04 1.99 1.80 3ci5A1 GLU 276 HG2 -0.15 0.06 0.02 -0.04 2.34 2.23 3ci5A1 GLU 276 HG3 -0.51 -0.03 0.02 -0.04 2.34 1.78 3ci5A1 THR 277 H -0.11 0.45 -0.22 -0.55 8.28 7.85 3ci5A1 THR 277 HA -0.04 0.08 0.37 -0.75 4.39 4.05 3ci5A1 THR 277 HB -0.05 0.02 -0.05 -0.04 4.32 4.20 3ci5A1 THR 277 HG23 -0.05 -0.02 -0.25 -0.04 1.22 0.87 3ci5A1 THR 278 H 0.00 0.50 -0.29 -0.55 8.28 7.94 3ci5A1 THR 278 HA -0.01 -0.04 0.33 -0.75 4.39 3.91 3ci5A1 THR 278 HB 0.09 0.16 0.14 -0.04 4.32 4.66 3ci5A1 THR 278 HG23 0.04 -0.01 -0.14 -0.04 1.22 1.06 3ci5A1 TYR 279 H 0.16 0.54 -0.11 -0.55 8.29 8.32 3ci5A1 TYR 279 HA -0.00 0.02 0.40 -0.75 4.56 4.22 3ci5A1 TYR 279 HB2 0.08 0.01 0.10 -0.04 3.06 3.20 3ci5A1 TYR 279 HB3 -0.00 0.05 0.17 -0.04 2.98 3.15 3ci5A1 TYR 279 HD2 0.13 -0.02 -0.08 -0.04 7.15 7.13 3ci5A1 TYR 279 HE2 0.10 0.01 -0.08 -0.04 6.85 6.85 3ci5A1 ASN 280 H 0.05 0.69 -0.19 -0.55 8.53 8.54 3ci5A1 ASN 280 HA -0.17 0.06 0.35 -0.75 4.76 4.25 3ci5A1 ASN 280 HB2 -0.02 0.03 0.14 -0.04 2.88 2.99 3ci5A1 ASN 280 HB3 -0.03 -0.01 -0.01 -0.04 2.79 2.69 3ci5A1 ASN 280 HD21 0.02 -0.04 -0.07 -0.04 7.03 6.90 3ci5A1 ASN 280 HD22 -0.01 -0.06 -0.07 -0.04 7.74 7.55 3ci5A1 SER 281 H -0.07 0.48 -0.21 -0.55 8.46 8.11 3ci5A1 SER 281 HA -0.08 0.00 0.48 -0.75 4.49 4.13 3ci5A1 SER 281 HB2 -0.06 0.01 0.14 -0.04 3.95 3.99 3ci5A1 SER 281 HB3 -0.08 -0.05 -0.03 -0.04 3.93 3.73 3ci5A1 ILE 282 H -0.17 0.57 -0.12 -0.55 8.25 7.98 3ci5A1 ILE 282 HA -0.19 -0.03 0.37 -0.75 4.18 3.57 3ci5A1 ILE 282 HB -0.38 0.17 0.15 -0.04 1.89 1.79 3ci5A1 ILE 282 HG12 -0.26 -0.09 -0.06 -0.04 1.49 1.04 3ci5A1 ILE 282 HG13 -0.18 0.11 0.00 -0.04 1.21 1.09 3ci5A1 ILE 282 HG23 -0.65 -0.01 -0.09 -0.04 0.93 0.14 3ci5A1 ILE 282 HD13 -0.47 -0.01 -0.17 -0.04 0.88 0.19 3ci5A1 MET 283 H -0.33 0.48 -0.22 -0.55 8.47 7.85 3ci5A1 MET 283 HA -0.16 0.04 0.34 -0.75 4.52 3.99 3ci5A1 MET 283 HB2 -0.30 0.06 0.09 -0.04 2.15 1.95 3ci5A1 MET 283 HB3 -0.17 -0.03 0.08 -0.04 2.03 1.87 3ci5A1 MET 283 HG2 -1.02 0.15 0.03 -0.04 2.63 1.75 3ci5A1 MET 283 HG3 -0.73 -0.03 -0.02 -0.04 2.56 1.74 3ci5A1 MET 283 HE3 0.02 -0.00 0.02 -0.04 2.10 2.10 3ci5A1 LYS 284 H -0.11 0.25 -0.42 -0.55 8.42 7.58 3ci5A1 LYS 284 HA -0.01 0.09 0.70 -0.75 4.32 4.35 3ci5A1 LYS 284 HB2 -0.06 0.09 0.21 -0.04 1.87 2.06 3ci5A1 LYS 284 HB3 0.02 -0.06 0.07 -0.04 1.79 1.78 3ci5A1 LYS 284 HG2 0.01 -0.03 0.06 -0.04 1.46 1.46 3ci5A1 LYS 284 HG3 -0.04 0.03 -0.00 -0.04 1.46 1.41 3ci5A1 LYS 284 HD2 -0.03 -0.07 -0.08 -0.04 1.69 1.47 3ci5A1 LYS 284 HD3 -0.03 0.01 0.06 -0.04 1.68 1.68 3ci5A1 LYS 284 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.90 3ci5A1 LYS 284 HE3 0.02 0.08 0.07 -0.04 2.99 3.12 3ci5A1 CYS 285 H -0.07 0.45 -0.34 -0.55 8.50 7.98 3ci5A1 CYS 285 HA 0.09 0.03 0.61 -0.75 4.58 4.57 3ci5A1 CYS 285 HB2 -0.08 0.25 0.06 -0.04 2.97 3.16 3ci5A1 CYS 285 HB3 -0.05 -0.11 -0.03 -0.04 2.97 2.73 3ci5A1 ASP 286 H 0.00 0.09 0.11 -0.55 8.40 8.05 3ci5A1 ASP 286 HA -0.03 0.09 0.42 -0.75 4.63 4.36 3ci5A1 ASP 286 HB2 -0.06 0.11 0.14 -0.04 2.71 2.86 3ci5A1 ASP 286 HB3 -0.12 -0.04 0.11 -0.04 2.70 2.61 3ci5A1 VAL 287 H -0.02 0.19 0.21 -0.55 8.24 8.06 3ci5A1 VAL 287 HA -0.01 0.00 0.36 -0.75 4.13 3.73 3ci5A1 VAL 287 HB 0.00 0.00 0.07 -0.04 2.12 2.15 3ci5A1 VAL 287 HG13 0.02 0.02 0.07 -0.04 0.97 1.03 3ci5A1 VAL 287 HG23 -0.00 0.03 0.13 -0.04 0.95 1.06 3ci5A1 ASP 288 H -0.03 0.08 -0.39 -0.55 8.40 7.50 3ci5A1 ASP 288 HA 0.00 0.13 0.33 -0.75 4.63 4.34 3ci5A1 ASP 288 HB2 -0.05 -0.01 -0.01 -0.04 2.71 2.59 3ci5A1 ASP 288 HB3 -0.01 0.06 0.07 -0.04 2.70 2.77 3ci5A1 ILE 289 H -0.07 0.58 -0.33 -0.55 8.25 7.88 3ci5A1 ILE 289 HA 0.00 0.24 1.03 -0.75 4.18 4.70 3ci5A1 ILE 289 HB -0.09 -0.04 0.09 -0.04 1.89 1.81 3ci5A1 ILE 289 HG12 -0.15 0.03 -0.01 -0.04 1.49 1.31 3ci5A1 ILE 289 HG13 -0.08 0.06 -0.31 -0.04 1.21 0.84 3ci5A1 ILE 289 HG23 -0.63 -0.00 -0.13 -0.04 0.93 0.12 3ci5A1 ILE 289 HD13 -0.12 -0.01 -0.09 -0.04 0.88 0.62 3ci5A1 ARG 290 H -0.00 0.38 -0.14 -0.55 8.46 8.15 3ci5A1 ARG 290 HA -0.07 0.03 0.23 -0.75 4.34 3.77 3ci5A1 ARG 290 HB2 0.08 0.08 0.11 -0.04 1.90 2.13 3ci5A1 ARG 290 HB3 0.00 -0.02 -0.00 -0.04 1.80 1.73 3ci5A1 ARG 290 HG2 -0.11 0.10 -0.06 -0.04 1.67 1.56 3ci5A1 ARG 290 HG3 -0.04 0.05 -0.12 -0.04 1.67 1.52 3ci5A1 ARG 290 HD2 0.03 -0.06 0.01 -0.04 3.22 3.16 3ci5A1 ARG 290 HD3 -0.04 -0.05 -0.14 -0.04 3.22 2.95 3ci5A1 LYS 291 H 0.09 0.20 -0.22 -0.55 8.42 7.94 3ci5A1 LYS 291 HA 0.23 0.07 0.38 -0.75 4.32 4.24 3ci5A1 LYS 291 HB2 0.09 0.03 0.07 -0.04 1.87 2.01 3ci5A1 LYS 291 HB3 0.08 0.01 0.00 -0.04 1.79 1.84 3ci5A1 LYS 291 HG2 0.08 0.02 -0.18 -0.04 1.46 1.34 3ci5A1 LYS 291 HG3 0.08 -0.01 0.04 -0.04 1.46 1.53 3ci5A1 LYS 291 HD2 0.05 0.01 -0.01 -0.04 1.69 1.70 3ci5A1 LYS 291 HD3 0.06 0.01 -0.03 -0.04 1.68 1.67 3ci5A1 LYS 291 HE2 0.05 0.00 -0.04 -0.04 2.99 2.96 3ci5A1 LYS 291 HE3 0.04 0.01 0.00 -0.04 2.99 3.00 3ci5A1 ASP 292 H 0.09 0.19 -0.34 -0.55 8.40 7.79 3ci5A1 ASP 292 HA 0.09 0.10 0.34 -0.75 4.63 4.40 3ci5A1 ASP 292 HB2 0.14 0.14 0.06 -0.04 2.71 3.01 3ci5A1 ASP 292 HB3 0.10 -0.03 -0.03 -0.04 2.70 2.71 3ci5A1 LEU 293 H 0.03 0.31 -0.34 -0.55 8.37 7.82 3ci5A1 LEU 293 HA 0.01 0.02 0.55 -0.75 4.35 4.19 3ci5A1 LEU 293 HB2 -0.19 0.11 0.09 -0.04 1.64 1.62 3ci5A1 LEU 293 HB3 -0.11 -0.10 -0.07 -0.04 1.64 1.32 3ci5A1 LEU 293 HG -0.01 0.20 -0.11 -0.04 1.64 1.68 3ci5A1 LEU 293 HD13 -0.09 -0.02 -0.10 -0.04 0.93 0.68 3ci5A1 LEU 293 HD23 0.03 -0.02 -0.22 -0.04 0.89 0.64 3ci5A1 TYR 294 H 0.06 0.61 0.03 -0.55 8.29 8.43 3ci5A1 TYR 294 HA 0.05 -0.06 0.32 -0.75 4.56 4.11 3ci5A1 TYR 294 HB2 0.04 0.12 0.11 -0.04 3.06 3.29 3ci5A1 TYR 294 HB3 0.05 0.06 -0.11 -0.04 2.98 2.94 3ci5A1 TYR 294 HD2 0.06 -0.03 -0.13 -0.04 7.15 7.02 3ci5A1 TYR 294 HE2 0.14 -0.03 -0.07 -0.04 6.85 6.85 3ci5A1 GLY 295 H 0.15 0.31 -0.46 -0.55 8.43 7.88 3ci5A1 GLY 295 HA2 0.09 0.04 0.52 -0.51 4.01 4.15 3ci5A1 GLY 295 HA3 0.09 0.02 0.28 -0.51 4.01 3.89 3ci5A1 ASN 296 H 0.07 0.40 -0.66 -0.55 8.53 7.79 3ci5A1 ASN 296 HA 0.04 0.10 0.67 -0.75 4.76 4.83 3ci5A1 ASN 296 HB2 0.04 0.08 0.25 -0.04 2.88 3.21 3ci5A1 ASN 296 HB3 0.03 -0.11 0.29 -0.04 2.79 2.95 3ci5A1 ASN 296 HD21 0.05 -0.10 -0.08 -0.04 7.03 6.85 3ci5A1 ASN 296 HD22 0.06 0.56 -0.02 -0.04 7.74 8.29 3ci5A1 VAL 297 H 0.06 0.64 0.16 -0.55 8.24 8.55 3ci5A1 VAL 297 HA 0.03 0.17 0.92 -0.75 4.13 4.49 3ci5A1 VAL 297 HB 0.07 -0.02 0.24 -0.04 2.12 2.36 3ci5A1 VAL 297 HG13 0.06 -0.05 -0.12 -0.04 0.97 0.82 3ci5A1 VAL 297 HG23 0.09 0.03 0.02 -0.04 0.95 1.05 3ci5A1 VAL 298 H 0.02 0.70 0.36 -0.55 8.24 8.77 3ci5A1 VAL 298 HA 0.03 0.20 0.87 -0.75 4.13 4.48 3ci5A1 VAL 298 HB 0.01 -0.10 0.01 -0.04 2.12 2.00 3ci5A1 VAL 298 HG13 0.02 -0.01 -0.25 -0.04 0.97 0.69 3ci5A1 VAL 298 HG23 0.02 0.05 -0.19 -0.04 0.95 0.78 3ci5A1 LEU 299 H 0.03 0.69 0.38 -0.55 8.37 8.93 3ci5A1 LEU 299 HA 0.03 0.11 0.87 -0.75 4.35 4.61 3ci5A1 LEU 299 HB2 0.04 0.02 0.16 -0.04 1.64 1.81 3ci5A1 LEU 299 HB3 0.04 -0.01 0.05 -0.04 1.64 1.67 3ci5A1 LEU 299 HG 0.05 0.08 -0.05 -0.04 1.64 1.68 3ci5A1 LEU 299 HD13 0.08 0.00 -0.10 -0.04 0.93 0.87 3ci5A1 LEU 299 HD23 0.06 -0.02 -0.14 -0.04 0.89 0.75 3ci5A1 SER 300 H 0.02 0.62 0.45 -0.55 8.46 9.00 3ci5A1 SER 300 HA 0.02 0.20 0.76 -0.75 4.49 4.71 3ci5A1 SER 300 HB2 0.03 0.00 0.08 -0.04 3.95 4.01 3ci5A1 SER 300 HB3 0.02 0.14 -0.21 -0.04 3.93 3.84 3ci5A1 GLY 301 H 0.02 0.64 0.15 -0.55 8.43 8.69 3ci5A1 GLY 301 HA2 0.02 0.01 0.43 -0.51 4.01 3.96 3ci5A1 GLY 301 HA3 0.01 0.12 0.67 -0.51 4.01 4.30 3ci5A1 GLY 302 H -0.01 0.06 0.26 -0.55 8.43 8.19 3ci5A1 GLY 302 HA2 -0.08 0.10 0.33 -0.51 4.01 3.85 3ci5A1 GLY 302 HA3 -0.06 0.03 0.39 -0.51 4.01 3.86 3ci5A1 THR 303 H -0.01 0.40 -0.04 -0.55 8.28 8.08 3ci5A1 THR 303 HA -0.06 0.15 0.43 -0.75 4.39 4.16 3ci5A1 THR 303 HB 0.04 -0.03 -0.16 -0.04 4.32 4.12 3ci5A1 THR 303 HG23 0.19 -0.00 -0.10 -0.04 1.22 1.27 3ci5A1 THR 304 H 0.00 0.39 -0.41 -0.55 8.28 7.71 3ci5A1 THR 304 HA 0.13 0.15 0.80 -0.75 4.39 4.71 3ci5A1 THR 304 HB 0.06 -0.03 0.05 -0.04 4.32 4.36 3ci5A1 THR 304 HG23 0.03 -0.03 0.00 -0.04 1.22 1.18 3ci5A1 MET 305 H -0.13 0.34 -0.40 -0.55 8.47 7.74 3ci5A1 MET 305 HA -0.04 0.08 0.38 -0.75 4.52 4.19 3ci5A1 MET 305 HB2 -0.23 0.13 0.10 -0.04 2.15 2.11 3ci5A1 MET 305 HB3 -0.13 0.04 0.11 -0.04 2.03 2.01 3ci5A1 MET 305 HG2 -0.09 -0.04 -0.06 -0.04 2.63 2.40 3ci5A1 MET 305 HG3 -0.13 -0.06 0.03 -0.04 2.56 2.36 3ci5A1 MET 305 HE3 -0.08 0.05 0.06 -0.04 2.10 2.09 3ci5A1 PHE 306 H 0.02 0.02 -0.47 -0.55 8.34 7.36 3ci5A1 PHE 306 HA 0.07 0.25 0.35 -0.75 4.62 4.53 3ci5A1 PHE 306 HB2 0.09 -0.13 -0.05 -0.04 3.15 3.02 3ci5A1 PHE 306 HB3 0.11 0.05 -0.15 -0.04 3.06 3.03 3ci5A1 PHE 306 HD2 0.06 0.12 -0.13 -0.04 7.28 7.29 3ci5A1 PHE 306 HE2 0.02 -0.00 -0.03 -0.04 7.38 7.33 3ci5A1 PHE 306 HZ 0.02 -0.09 -0.11 -0.04 7.32 7.10 3ci5A1 PRO 307 HA 0.10 -0.02 0.58 -0.51 4.44 4.59 3ci5A1 PRO 307 HB2 0.16 -0.01 0.08 -0.04 2.28 2.47 3ci5A1 PRO 307 HB3 0.07 0.00 0.13 -0.04 2.02 2.18 3ci5A1 PRO 307 HG2 0.11 0.16 0.10 -0.04 2.03 2.36 3ci5A1 PRO 307 HG3 0.07 0.03 0.14 -0.04 2.03 2.22 3ci5A1 PRO 307 HD2 0.26 0.32 0.29 -0.04 3.68 4.51 3ci5A1 PRO 307 HD3 0.08 0.26 0.27 -0.04 3.65 4.22 3ci5A1 GLY 308 H 0.09 0.13 0.20 -0.55 8.43 8.30 3ci5A1 GLY 308 HA2 0.07 -0.02 0.36 -0.51 4.01 3.90 3ci5A1 GLY 308 HA3 0.13 0.35 0.53 -0.51 4.01 4.51 3ci5A1 ILE 309 H 0.16 0.52 -0.29 -0.55 8.25 8.09 3ci5A1 ILE 309 HA 0.18 0.07 0.28 -0.75 4.18 3.95 3ci5A1 ILE 309 HB 0.27 0.12 -0.01 -0.04 1.89 2.22 3ci5A1 ILE 309 HG12 0.24 -0.09 -0.09 -0.04 1.49 1.51 3ci5A1 ILE 309 HG13 0.38 -0.03 -0.00 -0.04 1.21 1.52 3ci5A1 ILE 309 HG23 0.14 0.07 -0.02 -0.04 0.93 1.08 3ci5A1 ILE 309 HD13 0.17 0.00 -0.01 -0.04 0.88 1.01 3ci5A1 ALA 310 H 0.09 0.16 -0.09 -0.55 8.40 8.01 3ci5A1 ALA 310 HA 0.09 0.06 0.39 -0.75 4.34 4.12 3ci5A1 ALA 310 HB3 0.05 0.04 0.02 -0.04 1.41 1.49 3ci5A1 ASP 311 H 0.04 0.08 -0.21 -0.55 8.40 7.77 3ci5A1 ASP 311 HA 0.02 0.07 0.42 -0.75 4.63 4.38 3ci5A1 ASP 311 HB2 0.02 0.09 0.09 -0.04 2.71 2.86 3ci5A1 ASP 311 HB3 -0.01 0.03 -0.00 -0.04 2.70 2.68 3ci5A1 ARG 312 H 0.01 0.42 -0.35 -0.55 8.46 7.98 3ci5A1 ARG 312 HA -0.13 0.09 0.42 -0.75 4.34 3.96 3ci5A1 ARG 312 HB2 -0.20 0.11 -0.05 -0.04 1.90 1.72 3ci5A1 ARG 312 HB3 -0.16 0.03 0.10 -0.04 1.80 1.73 3ci5A1 ARG 312 HG2 -1.30 -0.03 -0.06 -0.04 1.67 0.23 3ci5A1 ARG 312 HG3 -0.92 -0.11 -0.19 -0.04 1.67 0.40 3ci5A1 ARG 312 HD2 -0.31 -0.06 0.14 -0.04 3.22 2.95 3ci5A1 ARG 312 HD3 -0.31 0.25 0.11 -0.04 3.22 3.23 3ci5A1 MET 313 H 0.10 0.66 -0.02 -0.55 8.47 8.65 3ci5A1 MET 313 HA 0.21 -0.05 0.42 -0.75 4.52 4.34 3ci5A1 MET 313 HB2 0.12 0.11 0.16 -0.04 2.15 2.50 3ci5A1 MET 313 HB3 0.13 -0.03 -0.04 -0.04 2.03 2.05 3ci5A1 MET 313 HG2 0.34 0.10 0.03 -0.04 2.63 3.05 3ci5A1 MET 313 HG3 0.15 -0.03 -0.06 -0.04 2.56 2.59 3ci5A1 MET 313 HE3 0.12 0.01 -0.08 -0.04 2.10 2.11 3ci5A1 ASN 314 H 0.05 0.62 -0.21 -0.55 8.53 8.44 3ci5A1 ASN 314 HA 0.06 0.00 0.35 -0.75 4.76 4.41 3ci5A1 ASN 314 HB2 0.04 0.00 0.10 -0.04 2.88 2.97 3ci5A1 ASN 314 HB3 0.02 0.00 0.16 -0.04 2.79 2.93 3ci5A1 ASN 314 HD21 0.01 0.03 -0.05 -0.04 7.03 6.97 3ci5A1 ASN 314 HD22 0.01 0.02 -0.07 -0.04 7.74 7.66 3ci5A1 LYS 315 H -0.01 0.57 -0.11 -0.55 8.42 8.31 3ci5A1 LYS 315 HA -0.02 0.06 0.43 -0.75 4.32 4.04 3ci5A1 LYS 315 HB2 -0.04 0.03 0.16 -0.04 1.87 1.98 3ci5A1 LYS 315 HB3 -0.08 0.09 0.22 -0.04 1.79 1.98 3ci5A1 LYS 315 HG2 -0.06 -0.03 -0.15 -0.04 1.46 1.19 3ci5A1 LYS 315 HG3 -0.04 -0.01 0.05 -0.04 1.46 1.42 3ci5A1 LYS 315 HD2 -0.05 -0.06 -0.00 -0.04 1.69 1.54 3ci5A1 LYS 315 HD3 -0.10 0.11 0.09 -0.04 1.68 1.74 3ci5A1 LYS 315 HE2 -0.07 -0.03 -0.01 -0.04 2.99 2.84 3ci5A1 LYS 315 HE3 -0.04 -0.02 -0.00 -0.04 2.99 2.88 3ci5A1 GLU 316 H -0.02 0.57 -0.10 -0.55 8.60 8.50 3ci5A1 GLU 316 HA -0.02 0.08 0.32 -0.75 4.29 3.92 3ci5A1 GLU 316 HB2 0.09 -0.00 0.14 -0.04 2.09 2.28 3ci5A1 GLU 316 HB3 0.05 -0.09 0.02 -0.04 1.99 1.93 3ci5A1 GLU 316 HG2 -0.23 0.26 0.10 -0.04 2.34 2.42 3ci5A1 GLU 316 HG3 -0.40 -0.13 -0.01 -0.04 2.34 1.77 3ci5A1 LEU 317 H 0.09 0.66 -0.02 -0.55 8.37 8.56 3ci5A1 LEU 317 HA 0.14 0.00 0.49 -0.75 4.35 4.22 3ci5A1 LEU 317 HB2 0.12 0.00 0.12 -0.04 1.64 1.85 3ci5A1 LEU 317 HB3 0.20 0.00 -0.03 -0.04 1.64 1.76 3ci5A1 LEU 317 HG 0.18 -0.05 0.06 -0.04 1.64 1.78 3ci5A1 LEU 317 HD13 0.16 -0.03 -0.06 -0.04 0.93 0.96 3ci5A1 LEU 317 HD23 0.24 -0.01 0.01 -0.04 0.89 1.09 3ci5A1 THR 318 H 0.03 0.57 -0.15 -0.55 8.28 8.19 3ci5A1 THR 318 HA -0.02 0.07 0.43 -0.75 4.39 4.11 3ci5A1 THR 318 HB -0.00 0.10 0.17 -0.04 4.32 4.54 3ci5A1 THR 318 HG23 -0.02 0.00 -0.06 -0.04 1.22 1.10 3ci5A1 ALA 319 H -0.00 0.29 -0.30 -0.55 8.40 7.84 3ci5A1 ALA 319 HA -0.03 0.06 0.42 -0.75 4.34 4.04 3ci5A1 ALA 319 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.44 3ci5A1 LEU 320 H -0.03 0.16 -0.27 -0.55 8.37 7.68 3ci5A1 LEU 320 HA -0.21 0.07 0.61 -0.75 4.35 4.08 3ci5A1 LEU 320 HB2 -0.09 0.01 0.16 -0.04 1.64 1.67 3ci5A1 LEU 320 HB3 -0.88 -0.06 0.01 -0.04 1.64 0.67 3ci5A1 LEU 320 HG -0.05 0.08 -0.02 -0.04 1.64 1.61 3ci5A1 LEU 320 HD13 -0.02 -0.06 -0.13 -0.04 0.93 0.68 3ci5A1 LEU 320 HD23 -0.32 -0.00 -0.01 -0.04 0.89 0.52 3ci5A1 ALA 321 H -0.04 0.42 -0.08 -0.55 8.40 8.16 3ci5A1 ALA 321 HA 0.05 0.03 0.54 -0.75 4.34 4.21 3ci5A1 ALA 321 HB3 -0.36 -0.03 0.02 -0.04 1.41 1.00 3ci5A1 PRO 322 HA -0.03 0.10 0.47 -0.51 4.44 4.48 3ci5A1 PRO 322 HB2 -0.04 -0.10 0.00 -0.04 2.28 2.10 3ci5A1 PRO 322 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 3ci5A1 PRO 322 HG2 0.01 0.01 0.07 -0.04 2.03 2.08 3ci5A1 PRO 322 HG3 0.03 0.09 0.09 -0.04 2.03 2.19 3ci5A1 PRO 322 HD2 -0.15 0.04 0.17 -0.04 3.68 3.69 3ci5A1 PRO 322 HD3 0.06 0.17 0.21 -0.04 3.65 4.05 3ci5A1 SER 323 H -0.03 0.11 0.18 -0.55 8.46 8.17 3ci5A1 SER 323 HA -0.04 0.23 0.22 -0.75 4.49 4.14 3ci5A1 SER 323 HB2 -0.02 0.02 0.12 -0.04 3.95 4.02 3ci5A1 SER 323 HB3 -0.02 0.02 0.15 -0.04 3.93 4.04 3ci5A1 THR 324 H -0.03 -0.03 -0.37 -0.55 8.28 7.30 3ci5A1 THR 324 HA -0.02 0.18 0.55 -0.75 4.39 4.35 3ci5A1 THR 324 HB -0.01 0.01 0.06 -0.04 4.32 4.34 3ci5A1 THR 324 HG23 -0.01 -0.00 -0.04 -0.04 1.22 1.13 3ci5A1 MET 325 H -0.08 0.43 -0.36 -0.55 8.47 7.91 3ci5A1 MET 325 HA -0.05 -0.02 0.53 -0.75 4.52 4.23 3ci5A1 MET 325 HB2 -0.20 -0.10 0.02 -0.04 2.15 1.83 3ci5A1 MET 325 HB3 -0.27 0.19 -0.01 -0.04 2.03 1.90 3ci5A1 MET 325 HG2 -1.13 -0.06 -0.10 -0.04 2.63 1.30 3ci5A1 MET 325 HG3 -0.32 0.08 -0.40 -0.04 2.56 1.88 3ci5A1 MET 325 HE3 0.08 -0.02 -0.06 -0.04 2.10 2.06 3ci5A1 LYS 326 H -0.00 0.09 0.10 -0.55 8.42 8.06 3ci5A1 LYS 326 HA -0.00 0.11 0.59 -0.75 4.32 4.27 3ci5A1 LYS 326 HB2 0.01 0.03 0.04 -0.04 1.87 1.92 3ci5A1 LYS 326 HB3 0.03 -0.05 0.12 -0.04 1.79 1.85 3ci5A1 LYS 326 HG2 0.04 -0.01 -0.34 -0.04 1.46 1.10 3ci5A1 LYS 326 HG3 0.02 0.03 -0.06 -0.04 1.46 1.41 3ci5A1 LYS 326 HD2 0.02 -0.00 -0.02 -0.04 1.69 1.64 3ci5A1 LYS 326 HD3 0.03 -0.03 -0.02 -0.04 1.68 1.62 3ci5A1 LYS 326 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 3ci5A1 LYS 326 HE3 0.03 0.02 -0.06 -0.04 2.99 2.94 3ci5A1 ILE 327 H 0.01 0.20 0.12 -0.55 8.25 8.03 3ci5A1 ILE 327 HA 0.10 0.31 0.72 -0.75 4.18 4.55 3ci5A1 ILE 327 HB 0.03 -0.03 0.09 -0.04 1.89 1.95 3ci5A1 ILE 327 HG12 -0.04 0.17 -0.12 -0.04 1.49 1.46 3ci5A1 ILE 327 HG13 0.01 -0.07 -0.19 -0.04 1.21 0.92 3ci5A1 ILE 327 HG23 0.10 -0.04 -0.13 -0.04 0.93 0.82 3ci5A1 ILE 327 HD13 -0.03 0.00 -0.24 -0.04 0.88 0.57 3ci5A1 LYS 328 H 0.09 0.65 0.25 -0.55 8.42 8.86 3ci5A1 LYS 328 HA 0.05 0.11 0.76 -0.75 4.32 4.48 3ci5A1 LYS 328 HB2 0.04 0.03 -0.14 -0.04 1.87 1.76 3ci5A1 LYS 328 HB3 0.05 0.17 -0.07 -0.04 1.79 1.91 3ci5A1 LYS 328 HG2 0.04 -0.09 -0.35 -0.04 1.46 1.02 3ci5A1 LYS 328 HG3 0.03 -0.02 -0.01 -0.04 1.46 1.42 3ci5A1 LYS 328 HD2 0.03 -0.01 -0.02 -0.04 1.69 1.65 3ci5A1 LYS 328 HD3 0.04 0.17 0.01 -0.04 1.68 1.86 3ci5A1 LYS 328 HE2 0.03 -0.06 -0.07 -0.04 2.99 2.84 3ci5A1 LYS 328 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.92 3ci5A1 ILE 329 H 0.05 0.20 0.08 -0.55 8.25 8.02 3ci5A1 ILE 329 HA 0.06 0.27 0.92 -0.75 4.18 4.67 3ci5A1 ILE 329 HB 0.05 -0.02 0.09 -0.04 1.89 1.96 3ci5A1 ILE 329 HG12 0.06 0.01 -0.10 -0.04 1.49 1.42 3ci5A1 ILE 329 HG13 0.07 -0.03 -0.05 -0.04 1.21 1.15 3ci5A1 ILE 329 HG23 0.07 -0.02 -0.13 -0.04 0.93 0.80 3ci5A1 ILE 329 HD13 0.09 0.03 -0.25 -0.04 0.88 0.72 3ci5A1 ILE 330 H 0.04 0.92 0.35 -0.55 8.25 9.01 3ci5A1 ILE 330 HA 0.03 0.00 0.84 -0.75 4.18 4.30 3ci5A1 ILE 330 HB 0.03 0.00 0.08 -0.04 1.89 1.96 3ci5A1 ILE 330 HG12 0.03 0.00 -0.08 -0.04 1.49 1.40 3ci5A1 ILE 330 HG13 0.03 0.00 -0.36 -0.04 1.21 0.85 3ci5A1 ILE 330 HG23 0.03 0.00 -0.08 -0.04 0.93 0.84 3ci5A1 ILE 330 HD13 0.04 0.06 -0.19 -0.04 0.88 0.75 3ci5A1 ALA 331 H 0.03 0.27 0.01 -0.55 8.40 8.16 3ci5A1 ALA 331 HA 0.03 0.18 0.94 -0.75 4.34 4.74 3ci5A1 ALA 331 HB3 0.04 0.01 0.01 -0.04 1.41 1.43 3ci5A1 PRO 332 HA 0.02 0.18 0.38 -0.51 4.44 4.51 3ci5A1 PRO 332 HB2 0.03 -0.19 -0.07 -0.04 2.28 2.00 3ci5A1 PRO 332 HB3 0.03 0.13 0.04 -0.04 2.02 2.17 3ci5A1 PRO 332 HG2 0.03 0.03 -0.02 -0.04 2.03 2.02 3ci5A1 PRO 332 HG3 0.03 0.13 -0.02 -0.04 2.03 2.12 3ci5A1 PRO 332 HD2 0.02 0.18 0.17 -0.04 3.68 4.02 3ci5A1 PRO 332 HD3 0.03 0.17 -0.37 -0.04 3.65 3.43 3ci5A1 PRO 333 HA -0.01 0.00 0.52 -0.51 4.44 4.45 3ci5A1 PRO 333 HB2 -0.00 0.00 -0.01 -0.04 2.28 2.23 3ci5A1 PRO 333 HB3 0.00 0.00 0.15 -0.04 2.02 2.13 3ci5A1 PRO 333 HG2 0.01 -0.03 0.10 -0.04 2.03 2.07 3ci5A1 PRO 333 HG3 0.01 0.11 0.10 -0.04 2.03 2.20 3ci5A1 PRO 333 HD2 0.02 0.00 0.25 -0.04 3.68 3.91 3ci5A1 PRO 333 HD3 0.01 0.00 0.21 -0.04 3.65 3.84 3ci5A1 GLU 334 H 0.01 0.18 -0.26 -0.55 8.60 7.99 3ci5A1 GLU 334 HA -0.04 0.20 0.51 -0.75 4.29 4.21 3ci5A1 GLU 334 HB2 0.09 0.00 0.10 -0.04 2.09 2.24 3ci5A1 GLU 334 HB3 0.05 0.10 0.03 -0.04 1.99 2.13 3ci5A1 GLU 334 HG2 0.07 -0.15 -0.31 -0.04 2.34 1.91 3ci5A1 GLU 334 HG3 0.09 0.11 -0.07 -0.04 2.34 2.43 3ci5A1 ARG 335 H -0.02 0.54 -0.71 -0.55 8.46 7.72 3ci5A1 ARG 335 HA 0.03 -0.06 0.13 -0.75 4.34 3.69 3ci5A1 ARG 335 HB2 0.02 -0.16 0.16 -0.04 1.90 1.88 3ci5A1 ARG 335 HB3 0.02 0.15 0.07 -0.04 1.80 2.00 3ci5A1 ARG 335 HG2 -0.02 0.16 -0.09 -0.04 1.67 1.68 3ci5A1 ARG 335 HG3 -0.01 -0.09 -0.33 -0.04 1.67 1.20 3ci5A1 ARG 335 HD2 0.02 -0.11 -0.28 -0.04 3.22 2.81 3ci5A1 ARG 335 HD3 0.02 -0.00 -0.12 -0.04 3.22 3.07 3ci5A1 LYS 336 H -0.11 0.33 -0.34 -0.55 8.42 7.75 3ci5A1 LYS 336 HA -0.05 -0.10 0.44 -0.75 4.32 3.86 3ci5A1 LYS 336 HB2 -0.21 0.14 0.02 -0.04 1.87 1.79 3ci5A1 LYS 336 HB3 -0.53 0.09 -0.06 -0.04 1.79 1.25 3ci5A1 LYS 336 HG2 -0.09 -0.08 0.03 -0.04 1.46 1.28 3ci5A1 LYS 336 HG3 -0.10 -0.12 0.07 -0.04 1.46 1.26 3ci5A1 LYS 336 HD2 -0.35 0.07 -0.05 -0.04 1.69 1.32 3ci5A1 LYS 336 HD3 -0.10 -0.04 -0.01 -0.04 1.68 1.48 3ci5A1 LYS 336 HE2 -0.13 -0.03 0.03 -0.04 2.99 2.82 3ci5A1 LYS 336 HE3 -0.19 0.07 0.00 -0.04 2.99 2.83 3ci5A1 TYR 337 H 0.02 0.67 -0.18 -0.55 8.29 8.25 3ci5A1 TYR 337 HA 0.07 0.00 0.83 -0.75 4.56 4.71 3ci5A1 TYR 337 HB2 0.06 0.19 0.05 -0.04 3.06 3.31 3ci5A1 TYR 337 HB3 0.12 -0.05 0.13 -0.04 2.98 3.14 3ci5A1 TYR 337 HD2 -0.02 0.04 -0.11 -0.04 7.15 7.02 3ci5A1 TYR 337 HE2 -0.08 0.04 -0.06 -0.04 6.85 6.71 3ci5A1 SER 338 H 0.12 0.25 -0.20 -0.55 8.46 8.08 3ci5A1 SER 338 HA 0.12 0.00 0.23 -0.75 4.49 4.09 3ci5A1 SER 338 HB2 0.06 0.00 0.07 -0.04 3.95 4.04 3ci5A1 SER 338 HB3 0.05 0.00 -0.05 -0.04 3.93 3.89 3ci5A1 VAL 339 H 0.11 0.10 -0.30 -0.55 8.24 7.61 3ci5A1 VAL 339 HA 0.03 0.11 0.27 -0.75 4.13 3.78 3ci5A1 VAL 339 HB 0.11 -0.04 -0.00 -0.04 2.12 2.15 3ci5A1 VAL 339 HG13 0.03 0.02 -0.17 -0.04 0.97 0.82 3ci5A1 VAL 339 HG23 0.04 0.03 -0.09 -0.04 0.95 0.89 3ci5A1 TRP 340 H 0.28 0.05 -0.24 -0.55 7.97 7.52 3ci5A1 TRP 340 HA -0.02 0.02 0.25 -0.75 4.62 4.11 3ci5A1 TRP 340 HB2 -0.05 -0.08 0.03 -0.04 3.23 3.09 3ci5A1 TRP 340 HB3 -0.05 0.13 0.03 -0.04 3.23 3.30 3ci5A1 TRP 340 HD1 -0.08 -0.03 -0.21 -0.04 7.22 6.86 3ci5A1 TRP 340 HE1 -0.11 0.25 -0.19 -0.04 10.20 10.11 3ci5A1 TRP 340 HE3 -0.05 0.06 -0.54 -0.04 7.59 7.02 3ci5A1 TRP 340 HZ2 -0.07 -0.16 -0.38 -0.04 7.44 6.79 3ci5A1 TRP 340 HZ3 -0.02 0.20 -0.59 -0.04 7.13 6.68 3ci5A1 TRP 340 HH2 0.01 0.18 -0.25 -0.04 7.19 7.09 3ci5A1 ILE 341 H 0.31 0.53 -0.21 -0.55 8.25 8.33 3ci5A1 ILE 341 HA 0.10 0.11 0.30 -0.75 4.18 3.93 3ci5A1 ILE 341 HB 0.15 -0.07 0.03 -0.04 1.89 1.96 3ci5A1 ILE 341 HG12 0.37 0.25 -0.06 -0.04 1.49 2.00 3ci5A1 ILE 341 HG13 0.46 -0.06 -0.04 -0.04 1.21 1.53 3ci5A1 ILE 341 HG23 0.09 0.02 -0.13 -0.04 0.93 0.87 3ci5A1 ILE 341 HD13 0.21 -0.04 -0.11 -0.04 0.88 0.90 3ci5A1 GLY 342 H 0.01 0.57 -0.20 -0.55 8.43 8.26 3ci5A1 GLY 342 HA2 -0.02 0.05 0.40 -0.51 4.01 3.92 3ci5A1 GLY 342 HA3 -0.01 0.14 0.28 -0.51 4.01 3.91 3ci5A1 GLY 343 H -0.20 0.52 -0.26 -0.55 8.43 7.94 3ci5A1 GLY 343 HA2 -0.24 -0.04 0.36 -0.51 4.01 3.58 3ci5A1 GLY 343 HA3 -0.37 0.02 0.17 -0.51 4.01 3.31 3ci5A1 SER 344 H -0.68 0.56 -0.21 -0.55 8.46 7.59 3ci5A1 SER 344 HA -0.49 -0.04 0.28 -0.75 4.49 3.48 3ci5A1 SER 344 HB2 -1.56 -0.03 -0.06 -0.04 3.95 2.27 3ci5A1 SER 344 HB3 -0.36 0.16 0.09 -0.04 3.93 3.77 3ci5A1 ILE 345 H -0.20 0.54 -0.20 -0.55 8.25 7.84 3ci5A1 ILE 345 HA -0.11 0.08 0.43 -0.75 4.18 3.84 3ci5A1 ILE 345 HB -0.11 0.06 0.12 -0.04 1.89 1.92 3ci5A1 ILE 345 HG12 -0.04 -0.00 -0.03 -0.04 1.49 1.37 3ci5A1 ILE 345 HG13 -0.06 0.09 0.01 -0.04 1.21 1.21 3ci5A1 ILE 345 HG23 -0.10 -0.01 -0.14 -0.04 0.93 0.64 3ci5A1 ILE 345 HD13 -0.01 -0.02 -0.09 -0.04 0.88 0.72 3ci5A1 LEU 346 H -0.22 0.62 -0.06 -0.55 8.37 8.16 3ci5A1 LEU 346 HA -0.31 0.00 0.29 -0.75 4.35 3.57 3ci5A1 LEU 346 HB2 -0.23 0.00 0.07 -0.04 1.64 1.45 3ci5A1 LEU 346 HB3 -0.40 0.03 0.11 -0.04 1.64 1.34 3ci5A1 LEU 346 HG -1.46 0.00 -0.29 -0.04 1.64 -0.14 3ci5A1 LEU 346 HD13 -0.29 -0.00 -0.02 -0.04 0.93 0.57 3ci5A1 LEU 346 HD23 -0.21 -0.02 -0.10 -0.04 0.89 0.51 3ci5A1 ALA 347 H -0.37 0.70 -0.18 -0.55 8.40 8.00 3ci5A1 ALA 347 HA -0.42 -0.03 0.33 -0.75 4.34 3.47 3ci5A1 ALA 347 HB3 -0.14 -0.02 -0.03 -0.04 1.41 1.18 3ci5A1 SER 348 H -0.16 0.31 -0.63 -0.55 8.46 7.44 3ci5A1 SER 348 HA 0.00 0.13 0.62 -0.75 4.49 4.49 3ci5A1 SER 348 HB2 -0.07 0.08 0.10 -0.04 3.95 4.02 3ci5A1 SER 348 HB3 -0.02 -0.05 0.04 -0.04 3.93 3.86 3ci5A1 LEU 349 H -0.11 0.33 -0.19 -0.55 8.37 7.86 3ci5A1 LEU 349 HA -0.05 0.08 0.35 -0.75 4.35 3.98 3ci5A1 LEU 349 HB2 -0.05 -0.03 0.10 -0.04 1.64 1.63 3ci5A1 LEU 349 HB3 -0.06 -0.14 0.07 -0.04 1.64 1.47 3ci5A1 LEU 349 HG -0.16 0.18 0.08 -0.04 1.64 1.70 3ci5A1 LEU 349 HD13 -0.15 -0.02 -0.03 -0.04 0.93 0.70 3ci5A1 LEU 349 HD23 -0.09 -0.00 -0.05 -0.04 0.89 0.70 3ci5A1 SER 350 H -0.04 0.17 0.20 -0.55 8.46 8.25 3ci5A1 SER 350 HA -0.03 0.16 0.41 -0.75 4.49 4.28 3ci5A1 SER 350 HB2 -0.04 0.03 0.10 -0.04 3.95 4.00 3ci5A1 SER 350 HB3 -0.03 0.08 0.16 -0.04 3.93 4.09 3ci5A1 THR 351 H -0.05 0.05 -0.37 -0.55 8.28 7.36 3ci5A1 THR 351 HA -0.10 0.18 0.53 -0.75 4.39 4.25 3ci5A1 THR 351 HB -0.07 0.02 0.01 -0.04 4.32 4.24 3ci5A1 THR 351 HG23 -0.06 0.02 -0.03 -0.04 1.22 1.11 3ci5A1 PHE 352 H 0.01 0.65 -0.35 -0.55 8.34 8.09 3ci5A1 PHE 352 HA -0.26 0.09 0.36 -0.75 4.62 4.05 3ci5A1 PHE 352 HB2 -0.18 0.08 0.07 -0.04 3.15 3.08 3ci5A1 PHE 352 HB3 -0.15 0.00 0.02 -0.04 3.06 2.89 3ci5A1 PHE 352 HD2 -0.12 0.01 -0.11 -0.04 7.28 7.02 3ci5A1 PHE 352 HE2 -0.37 0.02 -0.14 -0.04 7.38 6.86 3ci5A1 PHE 352 HZ -2.44 -0.03 -0.16 -0.04 7.32 4.64 3ci5A1 GLN 353 H -0.35 0.36 -0.28 -0.55 8.47 7.65 3ci5A1 GLN 353 HA -2.36 0.06 0.31 -0.75 4.36 1.61 3ci5A1 GLN 353 HB2 -0.58 0.01 0.07 -0.04 2.15 1.60 3ci5A1 GLN 353 HB3 -0.48 0.07 0.07 -0.04 2.02 1.65 3ci5A1 GLN 353 HG2 -0.26 0.12 0.03 -0.04 2.40 2.25 3ci5A1 GLN 353 HG3 -0.29 -0.03 -0.11 -0.04 2.39 1.92 3ci5A1 GLN 353 HE21 -0.05 -0.03 0.05 -0.04 6.97 6.90 3ci5A1 GLN 353 HE22 -0.09 0.31 0.16 -0.04 7.69 8.03 3ci5A1 GLN 354 H -0.48 0.28 -0.62 -0.55 8.47 7.11 3ci5A1 GLN 354 HA -0.34 0.00 0.53 -0.75 4.36 3.80 3ci5A1 GLN 354 HB2 -0.22 0.20 0.04 -0.04 2.15 2.12 3ci5A1 GLN 354 HB3 -0.17 0.00 0.10 -0.04 2.02 1.91 3ci5A1 GLN 354 HG2 -0.13 0.00 -0.00 -0.04 2.40 2.22 3ci5A1 GLN 354 HG3 -0.21 0.00 -0.13 -0.04 2.39 2.01 3ci5A1 GLN 354 HE21 -0.09 -0.02 -0.02 -0.04 6.97 6.80 3ci5A1 GLN 354 HE22 -0.14 -0.00 0.01 -0.04 7.69 7.51 3ci5A1 MET 355 H -0.81 0.50 -0.28 -0.55 8.47 7.33 3ci5A1 MET 355 HA -0.25 0.00 0.89 -0.75 4.52 4.41 3ci5A1 MET 355 HB2 -2.18 0.00 0.00 -0.04 2.15 -0.07 3ci5A1 MET 355 HB3 -0.54 0.00 0.06 -0.04 2.03 1.52 3ci5A1 MET 355 HG2 -0.40 0.02 -0.11 -0.04 2.63 2.09 3ci5A1 MET 355 HG3 -0.38 -0.16 -0.06 -0.04 2.56 1.91 3ci5A1 MET 355 HE3 -0.06 0.03 -0.04 -0.04 2.10 1.98 3ci5A1 TRP 356 H -0.74 0.17 -0.05 -0.55 7.97 6.80 3ci5A1 TRP 356 HA 0.06 0.07 0.31 -0.75 4.62 4.31 3ci5A1 TRP 356 HB2 0.08 -0.00 -0.01 -0.04 3.23 3.25 3ci5A1 TRP 356 HB3 -0.08 -0.03 -0.09 -0.04 3.23 2.99 3ci5A1 TRP 356 HD1 0.01 -0.10 -0.51 -0.04 7.22 6.58 3ci5A1 TRP 356 HE1 0.00 -0.04 -0.03 -0.04 10.20 10.09 3ci5A1 TRP 356 HE3 0.08 0.00 -0.17 -0.04 7.59 7.46 3ci5A1 TRP 356 HZ2 0.00 0.01 -0.00 -0.04 7.44 7.40 3ci5A1 TRP 356 HZ3 0.07 0.07 -0.10 -0.04 7.13 7.12 3ci5A1 TRP 356 HH2 0.02 0.04 -0.03 -0.04 7.19 7.18 3ci5A1 ILE 357 H 0.38 0.66 0.35 -0.55 8.25 9.09 3ci5A1 ILE 357 HA 0.23 0.14 0.79 -0.75 4.18 4.59 3ci5A1 ILE 357 HB 0.37 -0.03 0.16 -0.04 1.89 2.35 3ci5A1 ILE 357 HG12 0.15 0.04 -0.04 -0.04 1.49 1.60 3ci5A1 ILE 357 HG13 0.21 0.04 0.08 -0.04 1.21 1.50 3ci5A1 ILE 357 HG23 0.15 0.02 -0.17 -0.04 0.93 0.88 3ci5A1 ILE 357 HD13 0.12 -0.03 -0.09 -0.04 0.88 0.85 3ci5A1 SER 358 H 0.19 0.14 0.09 -0.55 8.46 8.33 3ci5A1 SER 358 HA 0.08 0.31 0.81 -0.75 4.49 4.94 3ci5A1 SER 358 HB2 0.11 0.05 0.19 -0.04 3.95 4.26 3ci5A1 SER 358 HB3 0.30 0.15 0.06 -0.04 3.93 4.41 3ci5A1 LYS 359 H 0.05 0.68 0.24 -0.55 8.42 8.84 3ci5A1 LYS 359 HA -0.45 0.00 0.41 -0.75 4.32 3.53 3ci5A1 LYS 359 HB2 0.13 0.24 0.12 -0.04 1.87 2.32 3ci5A1 LYS 359 HB3 0.02 0.00 0.16 -0.04 1.79 1.93 3ci5A1 LYS 359 HG2 0.05 0.00 -0.03 -0.04 1.46 1.43 3ci5A1 LYS 359 HG3 0.01 0.00 -0.16 -0.04 1.46 1.26 3ci5A1 LYS 359 HD2 0.02 -0.10 -0.02 -0.04 1.69 1.56 3ci5A1 LYS 359 HD3 -0.08 -0.05 0.03 -0.04 1.68 1.54 3ci5A1 LYS 359 HE2 0.07 0.00 -0.03 -0.04 2.99 2.98 3ci5A1 LYS 359 HE3 0.11 -0.01 -0.07 -0.04 2.99 2.97 3ci5A1 GLU 360 H -0.00 0.17 -0.11 -0.55 8.60 8.10 3ci5A1 GLU 360 HA -0.02 0.00 0.39 -0.75 4.29 3.90 3ci5A1 GLU 360 HB2 0.01 0.00 0.09 -0.04 2.09 2.15 3ci5A1 GLU 360 HB3 0.02 -0.05 0.05 -0.04 1.99 1.97 3ci5A1 GLU 360 HG2 -0.01 0.00 -0.17 -0.04 2.34 2.12 3ci5A1 GLU 360 HG3 -0.00 0.04 0.02 -0.04 2.34 2.35 3ci5A1 GLU 361 H -0.01 0.07 -0.26 -0.55 8.60 7.86 3ci5A1 GLU 361 HA -0.03 0.12 0.48 -0.75 4.29 4.10 3ci5A1 GLU 361 HB2 0.02 0.01 0.13 -0.04 2.09 2.21 3ci5A1 GLU 361 HB3 0.01 0.04 0.01 -0.04 1.99 2.00 3ci5A1 GLU 361 HG2 0.02 0.07 0.04 -0.04 2.34 2.43 3ci5A1 GLU 361 HG3 0.04 -0.08 0.04 -0.04 2.34 2.30 3ci5A1 TYR 362 H -0.18 0.45 -0.23 -0.55 8.29 7.78 3ci5A1 TYR 362 HA -0.24 0.03 0.35 -0.75 4.56 3.95 3ci5A1 TYR 362 HB2 -1.27 -0.01 -0.04 -0.04 3.06 1.70 3ci5A1 TYR 362 HB3 -0.85 0.12 0.08 -0.04 2.98 2.29 3ci5A1 TYR 362 HD2 -0.18 0.05 -0.24 -0.04 7.15 6.73 3ci5A1 TYR 362 HE2 0.02 -0.01 -0.17 -0.04 6.85 6.64 3ci5A1 ASP 363 H -0.09 0.53 -0.15 -0.55 8.40 8.14 3ci5A1 ASP 363 HA -0.15 0.02 0.37 -0.75 4.63 4.12 3ci5A1 ASP 363 HB2 -0.05 0.03 0.15 -0.04 2.71 2.80 3ci5A1 ASP 363 HB3 -0.05 0.01 0.01 -0.04 2.70 2.63 3ci5A1 GLU 364 H -0.11 0.28 -0.31 -0.55 8.60 7.92 3ci5A1 GLU 364 HA -0.08 0.09 0.52 -0.75 4.29 4.07 3ci5A1 GLU 364 HB2 -0.05 -0.03 0.08 -0.04 2.09 2.05 3ci5A1 GLU 364 HB3 -0.06 0.02 0.15 -0.04 1.99 2.06 3ci5A1 GLU 364 HG2 -0.05 0.00 -0.20 -0.04 2.34 2.05 3ci5A1 GLU 364 HG3 -0.05 0.00 0.04 -0.04 2.34 2.29 3ci5A1 SER 365 H -0.16 0.42 -0.01 -0.55 8.46 8.17 3ci5A1 SER 365 HA -0.09 0.17 0.67 -0.75 4.49 4.48 3ci5A1 SER 365 HB2 -0.09 0.01 0.03 -0.04 3.95 3.86 3ci5A1 SER 365 HB3 -0.06 -0.09 0.04 -0.04 3.93 3.78 3ci5A1 GLY 366 H -0.43 0.63 0.10 -0.55 8.43 8.17 3ci5A1 GLY 366 HA2 -0.83 0.11 0.34 -0.51 4.01 3.11 3ci5A1 GLY 366 HA3 -0.27 0.09 0.58 -0.51 4.01 3.91 3ci5A1 PRO 367 HA 0.26 0.04 0.30 -0.51 4.44 4.53 3ci5A1 PRO 367 HB2 0.04 0.01 0.03 -0.04 2.28 2.31 3ci5A1 PRO 367 HB3 0.09 0.15 0.18 -0.04 2.02 2.40 3ci5A1 PRO 367 HG2 0.06 0.06 0.07 -0.04 2.03 2.18 3ci5A1 PRO 367 HG3 0.26 0.02 0.10 -0.04 2.03 2.37 3ci5A1 PRO 367 HD2 -0.06 0.16 0.20 -0.04 3.68 3.94 3ci5A1 PRO 367 HD3 -0.17 0.17 0.21 -0.04 3.65 3.82 3ci5A1 SER 368 H -0.02 0.26 -0.31 -0.55 8.46 7.84 3ci5A1 SER 368 HA -0.14 0.01 0.30 -0.75 4.49 3.91 3ci5A1 SER 368 HB2 0.19 -0.01 0.09 -0.04 3.95 4.18 3ci5A1 SER 368 HB3 0.08 -0.00 0.06 -0.04 3.93 4.03 3ci5A1 ILE 369 H -0.03 0.53 -0.49 -0.55 8.25 7.70 3ci5A1 ILE 369 HA -0.00 0.06 0.43 -0.75 4.18 3.92 3ci5A1 ILE 369 HB -0.03 0.12 -0.01 -0.04 1.89 1.93 3ci5A1 ILE 369 HG12 0.05 -0.07 -0.06 -0.04 1.49 1.37 3ci5A1 ILE 369 HG13 0.02 -0.00 0.06 -0.04 1.21 1.24 3ci5A1 ILE 369 HG23 0.07 0.01 -0.18 -0.04 0.93 0.79 3ci5A1 ILE 369 HD13 0.01 0.01 -0.07 -0.04 0.88 0.79 3ci5A1 VAL 370 H -0.12 0.54 -0.31 -0.55 8.24 7.80 3ci5A1 VAL 370 HA -0.01 0.00 0.29 -0.75 4.13 3.65 3ci5A1 VAL 370 HB -0.03 0.03 0.08 -0.04 2.12 2.16 3ci5A1 VAL 370 HG13 -0.39 0.04 -0.19 -0.04 0.97 0.40 3ci5A1 VAL 370 HG23 -0.04 0.00 -0.01 -0.04 0.95 0.86 3ci5A1 HIS 371 H -0.39 0.38 -0.30 -0.55 8.41 7.55 3ci5A1 HIS 371 HA 0.05 0.13 0.43 -0.75 4.63 4.48 3ci5A1 HIS 371 HB2 -0.01 0.10 -0.01 -0.04 3.26 3.31 3ci5A1 HIS 371 HB3 -0.01 -0.02 0.09 -0.04 3.20 3.22 3ci5A1 HIS 371 HD2 0.01 0.07 0.09 -0.04 6.97 7.10 3ci5A1 HIS 371 HE1 0.04 0.05 0.05 -0.04 7.75 7.85 3ci5A1 ARG 372 H 0.05 0.36 -0.35 -0.55 8.46 7.97 3ci5A1 ARG 372 HA -0.02 0.00 0.72 -0.75 4.34 4.29 3ci5A1 ARG 372 HB2 0.04 0.07 0.08 -0.04 1.90 2.04 3ci5A1 ARG 372 HB3 0.03 0.00 0.03 -0.04 1.80 1.82 3ci5A1 ARG 372 HG2 0.00 0.00 -0.07 -0.04 1.67 1.56 3ci5A1 ARG 372 HG3 0.05 -0.01 -0.07 -0.04 1.67 1.59 3ci5A1 ARG 372 HD2 0.01 0.00 -0.05 -0.04 3.22 3.14 3ci5A1 ARG 372 HD3 0.01 0.00 -0.02 -0.04 3.22 3.17 3ci5A1 LYS 373 H 0.08 0.33 0.03 -0.55 8.42 8.31 3ci5A1 LYS 373 HA 0.17 0.19 0.76 -0.75 4.32 4.69 3ci5A1 LYS 373 HB2 0.09 -0.06 0.05 -0.04 1.87 1.91 3ci5A1 LYS 373 HB3 0.16 0.08 0.02 -0.04 1.79 2.01 3ci5A1 LYS 373 HG2 0.08 -0.05 -0.08 -0.04 1.46 1.38 3ci5A1 LYS 373 HG3 0.10 -0.10 -0.04 -0.04 1.46 1.37 3ci5A1 LYS 373 HD2 0.10 0.07 0.01 -0.04 1.69 1.83 3ci5A1 LYS 373 HD3 0.07 -0.04 -0.04 -0.04 1.68 1.64 3ci5A1 LYS 373 HE2 0.12 -0.21 0.05 -0.04 2.99 2.91 3ci5A1 LYS 373 HE3 0.14 0.11 -0.24 -0.04 2.99 2.96 3ci5A1 CYS 374 H 0.12 0.43 -0.06 -0.55 8.50 8.45 3ci5A1 CYS 374 HA -0.00 0.15 0.91 -0.75 4.58 4.89 3ci5A1 CYS 374 HB2 -0.07 0.09 0.27 -0.04 2.97 3.21 3ci5A1 CYS 374 HB3 -0.27 0.15 0.16 -0.04 2.97 2.97 3ci5A1 PHE 375 H 0.12 0.37 -0.01 -0.55 8.34 8.27 3ci5A1 PHE 375 HA 0.09 0.07 0.35 -0.75 4.62 4.38 3ci5A1 PHE 375 HB2 0.10 -0.04 0.08 -0.04 3.15 3.25 3ci5A1 PHE 375 HB3 0.10 0.19 -0.33 -0.04 3.06 2.97 3ci5A1 PHE 375 HD2 0.10 -0.04 -0.19 -0.04 7.28 7.11 3ci5A1 PHE 375 HE2 0.01 0.04 -0.02 -0.04 7.38 7.37 3ci5A1 PHE 375 HZ -0.03 0.00 0.00 -0.04 7.32 7.25