============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TYR 31 0.840 43.956 -17.288 18.980 -99.200 -91.000 HIS 39 0.900 35.676 -12.871 26.732 -99.200 -91.000 PHE 40 1.000 41.139 -9.603 33.275 -99.200 -91.000 HIS 51 0.900 16.491 2.101 40.423 -99.200 -91.000 PHE 55 1.000 19.105 -11.444 45.051 -99.200 -91.000 HIS 58 0.900 15.671 -16.996 36.568 -99.200 -91.000 PHE 61 1.000 1.135 -12.707 39.656 -99.200 -91.000 TYR 70 0.840 -11.419 -3.925 37.630 -99.200 -91.000 PHE 75 1.000 -0.279 -11.662 33.525 -99.200 -91.000 PHE 86 1.000 16.295 -12.363 36.568 -99.200 -91.000 PHE 89 1.000 12.993 -7.686 44.493 -99.200 -91.000 HIS 94 0.900 25.710 6.868 46.395 -99.200 -91.000 HIS 97 0.900 31.293 -4.916 43.136 -99.200 -91.000 PHE 108 1.000 8.601 -5.540 44.130 -99.200 -91.000 PHE 112 1.000 4.518 -10.216 36.103 -99.200 -91.000 TYR 113 0.840 10.956 -14.129 31.233 -99.200 -91.000 TRP 119 1.040 3.271 -5.784 32.758 -99.200 -91.000 TRP6 119 1.020 2.310 -6.591 34.747 -99.200 -91.000 PHE 121 1.000 5.500 -3.252 39.631 -99.200 -91.000 PHE 129 1.000 11.072 9.243 40.889 -99.200 -91.000 PHE 130 1.000 13.200 11.822 45.212 -99.200 -91.000 PHE 137 1.000 15.198 9.748 36.237 -99.200 -91.000 HIS 142 0.900 23.199 14.981 35.143 -99.200 -91.000 TYR 158 0.840 20.653 14.927 48.797 -99.200 -91.000 TRP 159 1.040 18.195 18.261 51.549 -99.200 -91.000 TRP6 159 1.020 15.863 18.228 51.905 -99.200 -91.000 PHE 161 1.000 15.661 18.764 40.695 -99.200 -91.000 HIS 174 0.900 5.581 9.007 50.805 -99.200 -91.000 PHE 176 1.000 15.659 12.900 53.512 -99.200 -91.000 TYR 185 0.840 17.945 -5.483 47.426 -99.200 -91.000 HIS 194 0.900 5.085 6.483 36.636 -99.200 -91.000 PHE 196 1.000 1.988 1.541 34.176 -99.200 -91.000 TRP 198 1.040 -4.196 -3.210 33.903 -99.200 -91.000 TRP6 198 1.020 -4.603 -4.700 35.701 -99.200 -91.000 HIS 202 0.900 -18.006 -6.439 24.783 -99.200 -91.000 TYR 207 0.840 -6.712 7.032 33.773 -99.200 -91.000 TRP 212 1.040 4.701 -6.050 42.995 -99.200 -91.000 TRP6 212 1.020 4.267 -8.290 42.334 -99.200 -91.000 HIS 219 0.900 9.909 -6.803 59.257 -99.200 -91.000 PHE 234 1.000 31.178 -4.432 49.819 -99.200 -91.000 HIS 236 0.900 21.730 -4.642 54.221 -99.200 -91.000 PHE 242 1.000 22.770 -16.916 46.196 -99.200 -91.000 PHE 250 1.000 11.733 -21.561 47.568 -99.200 -91.000 TRP 253 1.040 7.366 -8.632 47.735 -99.200 -91.000 TRP6 253 1.020 9.253 -9.991 47.326 -99.200 -91.000 PHE 256 1.000 -3.401 -7.098 48.110 -99.200 -91.000 PHE 268 1.000 -9.778 10.926 43.378 -99.200 -91.000 PHE 270 1.000 -5.082 12.543 44.402 -99.200 -91.000 TRP 279 1.040 -4.217 6.861 42.660 -99.200 -91.000 TRP6 279 1.020 -5.084 5.341 41.077 -99.200 -91.000 PHE 280 1.000 -3.165 9.333 51.035 -99.200 -91.000 PHE 286 1.000 -3.357 -1.208 48.522 -99.200 -91.000 HIS 288 0.900 -4.557 -11.854 46.515 -99.200 -91.000 TYR 301 0.840 24.716 -9.620 39.816 -99.200 -91.000 PHE 302 1.000 28.126 -9.505 31.954 -99.200 -91.000 PHE 310 1.000 13.646 -6.138 34.876 -99.200 -91.000 PHE 332 1.000 14.035 7.730 23.754 -99.200 -91.000 TYR 334 0.840 12.960 2.506 32.705 -99.200 -91.000 HIS 340 0.900 25.392 3.340 26.294 -99.200 -91.000 TYR 346 0.840 16.959 -4.370 24.789 -99.200 -91.000 PHE 355 1.000 5.842 -19.861 26.859 -99.200 -91.000 TYR 361 0.840 7.766 -9.303 7.830 -99.200 -91.000 PHE 369 1.000 24.374 -17.128 19.456 -99.200 -91.000 TYR 378 0.840 9.410 -7.907 0.687 -99.200 -91.000 TYR 383 0.840 7.101 -14.763 -0.975 -99.200 -91.000 TYR 393 0.840 -3.623 -10.506 19.767 -99.200 -91.000 HIS 401 0.900 -10.379 13.630 27.754 -99.200 -91.000 HIS 405 0.900 1.142 19.988 19.073 -99.200 -91.000 PHE 416 1.000 4.340 23.447 48.900 -99.200 -91.000 TYR 423 0.840 4.433 15.289 60.217 -99.200 -91.000 HIS 447 0.900 25.286 27.355 49.076 -99.200 -91.000 PHE 458 1.000 10.220 18.580 54.345 -99.200 -91.000 TYR 459 0.840 4.464 26.898 58.948 -99.200 -91.000 PHE 480 1.000 12.070 34.797 55.271 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j2mA1 LYS 6 HA 0.00 -0.09 0.20 -0.75 4.32 3.68 2j2mA1 LYS 6 HB2 0.00 -0.02 0.04 -0.04 1.87 1.85 2j2mA1 LYS 6 HB3 0.00 -0.02 -0.01 -0.04 1.79 1.72 2j2mA1 LYS 6 HG2 0.00 0.05 -0.12 -0.04 1.46 1.35 2j2mA1 LYS 6 HG3 0.00 -0.02 0.00 -0.04 1.46 1.41 2j2mA1 LYS 6 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.63 2j2mA1 LYS 6 HD3 0.00 0.00 -0.04 -0.04 1.68 1.61 2j2mA1 LYS 6 HE2 0.00 0.01 -0.02 -0.04 2.99 2.95 2j2mA1 LYS 6 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.93 2j2mA1 LYS 7 H 0.00 0.08 0.06 -0.55 8.42 8.01 2j2mA1 LYS 7 HA 0.00 0.08 0.65 -0.75 4.32 4.30 2j2mA1 LYS 7 HB2 0.00 -0.02 0.07 -0.04 1.87 1.87 2j2mA1 LYS 7 HB3 0.00 0.06 -0.02 -0.04 1.79 1.79 2j2mA1 LYS 7 HG2 0.00 0.03 -0.02 -0.04 1.46 1.43 2j2mA1 LYS 7 HG3 0.00 -0.01 0.03 -0.04 1.46 1.44 2j2mA1 LYS 7 HD2 0.00 0.00 -0.00 -0.04 1.69 1.65 2j2mA1 LYS 7 HD3 0.00 0.00 -0.00 -0.04 1.68 1.64 2j2mA1 LYS 7 HE2 0.00 0.01 0.01 -0.04 2.99 2.96 2j2mA1 LYS 7 HE3 0.00 -0.02 0.00 -0.04 2.99 2.93 2j2mA1 LEU 8 H 0.00 0.15 0.19 -0.55 8.37 8.17 2j2mA1 LEU 8 HA 0.00 0.08 0.61 -0.75 4.35 4.29 2j2mA1 LEU 8 HB2 0.00 0.05 0.13 -0.04 1.64 1.78 2j2mA1 LEU 8 HB3 0.00 -0.00 0.16 -0.04 1.64 1.76 2j2mA1 LEU 8 HG 0.00 -0.03 -0.29 -0.04 1.64 1.28 2j2mA1 LEU 8 HD13 -0.00 0.00 0.04 -0.04 0.93 0.93 2j2mA1 LEU 8 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.78 2j2mA1 THR 9 H 0.00 0.24 0.19 -0.55 8.28 8.16 2j2mA1 THR 9 HA 0.01 0.14 0.84 -0.75 4.39 4.62 2j2mA1 THR 9 HB 0.02 -0.15 -0.18 -0.04 4.32 3.97 2j2mA1 THR 9 HG23 0.01 0.06 -0.36 -0.04 1.22 0.89 2j2mA1 THR 10 H 0.04 0.49 0.16 -0.55 8.28 8.43 2j2mA1 THR 10 HA 0.04 0.20 0.71 -0.75 4.39 4.59 2j2mA1 THR 10 HB 0.19 -0.01 0.16 -0.04 4.32 4.62 2j2mA1 THR 10 HG23 0.11 0.06 0.00 -0.04 1.22 1.36 2j2mA1 ASN 11 H 0.07 0.19 0.11 -0.55 8.53 8.35 2j2mA1 ASN 11 HA 0.01 0.17 0.37 -0.75 4.76 4.56 2j2mA1 ASN 11 HB2 0.07 -0.03 0.05 -0.04 2.88 2.93 2j2mA1 ASN 11 HB3 0.02 0.07 0.11 -0.04 2.79 2.96 2j2mA1 ASN 11 HD21 -0.18 0.06 0.00 -0.04 7.03 6.87 2j2mA1 ASN 11 HD22 -0.01 0.00 0.02 -0.04 7.74 7.71 2j2mA1 GLN 12 H 0.09 -0.12 -0.68 -0.55 8.47 7.22 2j2mA1 GLN 12 HA 0.03 0.22 0.58 -0.75 4.36 4.43 2j2mA1 GLN 12 HB2 0.02 -0.11 -0.02 -0.04 2.15 2.00 2j2mA1 GLN 12 HB3 -0.03 0.07 0.09 -0.04 2.02 2.10 2j2mA1 GLN 12 HG2 0.18 -0.09 -0.07 -0.04 2.40 2.38 2j2mA1 GLN 12 HG3 -0.20 -0.00 -0.02 -0.04 2.39 2.12 2j2mA1 GLN 12 HE21 0.05 0.05 -0.04 -0.04 6.97 6.98 2j2mA1 GLN 12 HE22 0.19 -0.04 -0.05 -0.04 7.69 7.75 2j2mA1 GLY 13 H 0.03 0.51 -0.35 -0.55 8.43 8.07 2j2mA1 GLY 13 HA2 0.01 0.08 0.22 -0.51 4.01 3.81 2j2mA1 GLY 13 HA3 0.01 0.11 0.43 -0.51 4.01 4.05 2j2mA1 VAL 14 H 0.02 -0.11 -0.36 -0.55 8.24 7.25 2j2mA1 VAL 14 HA 0.00 0.22 0.66 -0.75 4.13 4.26 2j2mA1 VAL 14 HB 0.03 -0.19 0.05 -0.04 2.12 1.97 2j2mA1 VAL 14 HG13 0.01 0.04 -0.16 -0.04 0.97 0.82 2j2mA1 VAL 14 HG23 -0.03 0.02 -0.06 -0.04 0.95 0.84 2j2mA1 PRO 15 HA 0.01 0.22 0.49 -0.51 4.44 4.65 2j2mA1 PRO 15 HB2 0.01 -0.05 -0.02 -0.04 2.28 2.18 2j2mA1 PRO 15 HB3 0.00 0.07 0.03 -0.04 2.02 2.08 2j2mA1 PRO 15 HG2 0.00 0.00 0.07 -0.04 2.03 2.06 2j2mA1 PRO 15 HG3 0.00 0.09 0.05 -0.04 2.03 2.13 2j2mA1 PRO 15 HD2 0.00 0.03 0.19 -0.04 3.68 3.86 2j2mA1 PRO 15 HD3 0.00 0.29 0.31 -0.04 3.65 4.21 2j2mA1 ILE 16 H 0.01 0.72 0.25 -0.55 8.25 8.69 2j2mA1 ILE 16 HA 0.02 -0.00 0.69 -0.75 4.18 4.13 2j2mA1 ILE 16 HB 0.01 0.08 -0.12 -0.04 1.89 1.82 2j2mA1 ILE 16 HG12 0.03 -0.07 -0.11 -0.04 1.49 1.30 2j2mA1 ILE 16 HG13 0.03 0.03 -0.25 -0.04 1.21 0.97 2j2mA1 ILE 16 HG23 0.01 -0.02 -0.38 -0.04 0.93 0.50 2j2mA1 ILE 16 HD13 0.01 0.01 -0.30 -0.04 0.88 0.56 2j2mA1 GLY 17 H 0.01 0.08 0.13 -0.55 8.43 8.11 2j2mA1 GLY 17 HA2 0.00 0.19 0.68 -0.51 4.01 4.38 2j2mA1 GLY 17 HA3 0.01 0.01 0.30 -0.51 4.01 3.82 2j2mA1 ASP 18 H 0.01 0.10 0.00 -0.55 8.40 7.96 2j2mA1 ASP 18 HA -0.00 0.19 0.86 -0.75 4.63 4.93 2j2mA1 ASP 18 HB2 0.00 0.08 -0.10 -0.04 2.71 2.65 2j2mA1 ASP 18 HB3 0.00 0.01 0.16 -0.04 2.70 2.83 2j2mA1 ASN 19 H -0.00 0.27 -0.02 -0.55 8.53 8.23 2j2mA1 ASN 19 HA -0.01 0.17 0.70 -0.75 4.76 4.86 2j2mA1 ASN 19 HB2 -0.00 0.00 -0.05 -0.04 2.88 2.79 2j2mA1 ASN 19 HB3 -0.01 0.04 0.03 -0.04 2.79 2.81 2j2mA1 ASN 19 HD21 -0.02 0.02 0.03 -0.04 7.03 7.02 2j2mA1 ASN 19 HD22 -0.01 0.01 0.01 -0.04 7.74 7.71 2j2mA1 GLN 20 H -0.01 -0.04 -0.38 -0.55 8.47 7.49 2j2mA1 GLN 20 HA -0.02 0.26 0.89 -0.75 4.36 4.74 2j2mA1 GLN 20 HB2 -0.01 0.00 -0.06 -0.04 2.15 2.05 2j2mA1 GLN 20 HB3 -0.01 0.04 0.05 -0.04 2.02 2.06 2j2mA1 GLN 20 HG2 -0.01 -0.14 -0.08 -0.04 2.40 2.13 2j2mA1 GLN 20 HG3 -0.01 0.05 -0.05 -0.04 2.39 2.34 2j2mA1 GLN 20 HE21 -0.01 0.08 -0.09 -0.04 6.97 6.90 2j2mA1 GLN 20 HE22 -0.01 -0.07 -0.09 -0.04 7.69 7.48 2j2mA1 ASN 21 H -0.01 0.05 -0.03 -0.55 8.53 8.00 2j2mA1 ASN 21 HA -0.01 0.21 1.01 -0.75 4.76 5.21 2j2mA1 ASN 21 HB2 -0.00 -0.05 0.04 -0.04 2.88 2.82 2j2mA1 ASN 21 HB3 -0.01 0.13 0.02 -0.04 2.79 2.90 2j2mA1 ASN 21 HD21 -0.00 0.04 -0.07 -0.04 7.03 6.95 2j2mA1 ASN 21 HD22 -0.00 -0.03 -0.03 -0.04 7.74 7.64 2j2mA1 SER 22 H -0.01 0.16 0.10 -0.55 8.46 8.16 2j2mA1 SER 22 HA -0.01 0.03 0.63 -0.75 4.49 4.39 2j2mA1 SER 22 HB2 -0.01 0.04 -0.01 -0.04 3.95 3.92 2j2mA1 SER 22 HB3 -0.01 -0.00 0.07 -0.04 3.93 3.95 2j2mA1 ARG 23 H 0.00 0.05 0.18 -0.55 8.46 8.14 2j2mA1 ARG 23 HA 0.00 0.16 0.79 -0.75 4.34 4.54 2j2mA1 ARG 23 HB2 0.01 0.02 0.13 -0.04 1.90 2.01 2j2mA1 ARG 23 HB3 0.01 -0.10 0.18 -0.04 1.80 1.85 2j2mA1 ARG 23 HG2 0.01 0.00 -0.22 -0.04 1.67 1.42 2j2mA1 ARG 23 HG3 0.01 0.06 0.05 -0.04 1.67 1.75 2j2mA1 ARG 23 HD2 0.02 -0.00 -0.00 -0.04 3.22 3.19 2j2mA1 ARG 23 HD3 0.02 -0.07 -0.08 -0.04 3.22 3.05 2j2mA1 THR 24 H 0.00 0.21 0.14 -0.55 8.28 8.09 2j2mA1 THR 24 HA 0.00 0.12 0.92 -0.75 4.39 4.68 2j2mA1 THR 24 HB -0.00 0.25 -0.23 -0.04 4.32 4.30 2j2mA1 THR 24 HG23 -0.00 -0.05 -0.37 -0.04 1.22 0.76 2j2mA1 ALA 25 H 0.00 0.87 -0.05 -0.55 8.40 8.67 2j2mA1 ALA 25 HA 0.00 0.03 0.50 -0.75 4.34 4.12 2j2mA1 ALA 25 HB3 0.00 -0.01 0.11 -0.04 1.41 1.47 2j2mA1 GLY 26 H 0.00 0.44 -0.01 -0.55 8.43 8.31 2j2mA1 GLY 26 HA2 0.00 0.01 0.35 -0.51 4.01 3.86 2j2mA1 GLY 26 HA3 0.00 0.17 0.77 -0.51 4.01 4.43 2j2mA1 ARG 27 H -0.00 0.15 0.11 -0.55 8.46 8.16 2j2mA1 ARG 27 HA -0.00 0.09 0.35 -0.75 4.34 4.03 2j2mA1 ARG 27 HB2 -0.00 -0.02 0.14 -0.04 1.90 1.98 2j2mA1 ARG 27 HB3 -0.00 0.01 0.03 -0.04 1.80 1.80 2j2mA1 ARG 27 HG2 -0.00 0.04 -0.04 -0.04 1.67 1.62 2j2mA1 ARG 27 HG3 -0.00 0.01 0.07 -0.04 1.67 1.71 2j2mA1 ARG 27 HD2 -0.00 -0.00 -0.01 -0.04 3.22 3.17 2j2mA1 ARG 27 HD3 -0.00 0.02 0.00 -0.04 3.22 3.20 2j2mA1 ARG 28 H -0.00 0.01 -0.33 -0.55 8.46 7.59 2j2mA1 ARG 28 HA -0.00 0.27 0.84 -0.75 4.34 4.69 2j2mA1 ARG 28 HB2 -0.00 -0.03 0.02 -0.04 1.90 1.85 2j2mA1 ARG 28 HB3 -0.00 0.03 0.14 -0.04 1.80 1.93 2j2mA1 ARG 28 HG2 -0.00 0.12 -0.19 -0.04 1.67 1.57 2j2mA1 ARG 28 HG3 -0.00 -0.10 -0.20 -0.04 1.67 1.33 2j2mA1 ARG 28 HD2 -0.00 0.03 -0.02 -0.04 3.22 3.18 2j2mA1 ARG 28 HD3 -0.00 -0.02 -0.04 -0.04 3.22 3.12 2j2mA1 GLY 29 H -0.00 0.31 -0.57 -0.55 8.43 7.63 2j2mA1 GLY 29 HA2 -0.00 0.16 0.76 -0.51 4.01 4.42 2j2mA1 GLY 29 HA3 0.00 0.25 0.15 -0.51 4.01 3.90 2j2mA1 PRO 30 HA -0.00 0.10 0.34 -0.51 4.44 4.37 2j2mA1 PRO 30 HB2 0.00 0.10 0.06 -0.04 2.28 2.40 2j2mA1 PRO 30 HB3 0.00 0.03 0.11 -0.04 2.02 2.13 2j2mA1 PRO 30 HG2 0.00 0.01 0.07 -0.04 2.03 2.07 2j2mA1 PRO 30 HG3 0.00 0.05 0.09 -0.04 2.03 2.13 2j2mA1 PRO 30 HD2 0.00 0.14 0.22 -0.04 3.68 4.00 2j2mA1 PRO 30 HD3 0.00 0.15 0.21 -0.04 3.65 3.97 2j2mA1 THR 31 H -0.00 0.10 0.16 -0.55 8.28 7.99 2j2mA1 THR 31 HA 0.00 0.15 0.54 -0.75 4.39 4.33 2j2mA1 THR 31 HB -0.00 -0.02 0.08 -0.04 4.32 4.34 2j2mA1 THR 31 HG23 -0.00 0.03 -0.02 -0.04 1.22 1.18 2j2mA1 LEU 32 H 0.00 0.58 0.33 -0.55 8.37 8.74 2j2mA1 LEU 32 HA 0.01 0.16 0.74 -0.75 4.35 4.50 2j2mA1 LEU 32 HB2 0.01 0.01 0.07 -0.04 1.64 1.69 2j2mA1 LEU 32 HB3 0.01 -0.17 0.02 -0.04 1.64 1.46 2j2mA1 LEU 32 HG 0.01 0.05 -0.27 -0.04 1.64 1.39 2j2mA1 LEU 32 HD13 0.01 -0.00 -0.15 -0.04 0.93 0.74 2j2mA1 LEU 32 HD23 0.01 0.02 -0.13 -0.04 0.89 0.75 2j2mA1 LEU 33 H 0.01 0.21 0.17 -0.55 8.37 8.22 2j2mA1 LEU 33 HA 0.01 0.13 0.48 -0.75 4.35 4.22 2j2mA1 LEU 33 HB2 0.01 0.04 0.13 -0.04 1.64 1.79 2j2mA1 LEU 33 HB3 0.02 -0.02 0.05 -0.04 1.64 1.64 2j2mA1 LEU 33 HG 0.02 -0.00 -0.04 -0.04 1.64 1.58 2j2mA1 LEU 33 HD13 0.01 0.01 0.05 -0.04 0.93 0.96 2j2mA1 LEU 33 HD23 0.02 0.01 -0.01 -0.04 0.89 0.87 2j2mA1 GLU 34 H 0.02 0.03 -0.31 -0.55 8.60 7.79 2j2mA1 GLU 34 HA 0.05 0.18 0.44 -0.75 4.29 4.20 2j2mA1 GLU 34 HB2 0.03 0.02 0.14 -0.04 2.09 2.24 2j2mA1 GLU 34 HB3 0.02 0.02 0.05 -0.04 1.99 2.04 2j2mA1 GLU 34 HG2 0.02 -0.06 -0.04 -0.04 2.34 2.22 2j2mA1 GLU 34 HG3 0.03 -0.00 -0.24 -0.04 2.34 2.08 2j2mA1 ASP 35 H 0.02 0.46 -0.52 -0.55 8.40 7.82 2j2mA1 ASP 35 HA 0.04 0.05 0.62 -0.75 4.63 4.60 2j2mA1 ASP 35 HB2 0.01 0.10 0.24 -0.04 2.71 3.02 2j2mA1 ASP 35 HB3 0.00 0.07 0.26 -0.04 2.70 2.99 2j2mA1 TYR 36 H 0.16 0.52 0.23 -0.55 8.29 8.64 2j2mA1 TYR 36 HA 0.01 0.10 0.32 -0.75 4.56 4.24 2j2mA1 TYR 36 HB2 0.00 0.09 0.12 -0.04 3.06 3.24 2j2mA1 TYR 36 HB3 0.00 -0.02 0.15 -0.04 2.98 3.07 2j2mA1 TYR 36 HD2 0.01 0.01 -0.09 -0.04 7.15 7.03 2j2mA1 TYR 36 HE2 0.01 -0.03 -0.02 -0.04 6.85 6.77 2j2mA1 GLN 37 H 0.10 0.10 -0.14 -0.55 8.47 7.98 2j2mA1 GLN 37 HA -0.02 0.06 0.32 -0.75 4.36 3.96 2j2mA1 GLN 37 HB2 0.08 0.03 0.07 -0.04 2.15 2.29 2j2mA1 GLN 37 HB3 0.04 -0.04 0.10 -0.04 2.02 2.07 2j2mA1 GLN 37 HG2 -0.01 0.04 -0.36 -0.04 2.40 2.03 2j2mA1 GLN 37 HG3 0.01 0.01 -0.04 -0.04 2.39 2.33 2j2mA1 GLN 37 HE21 0.00 0.53 0.10 -0.04 6.97 7.56 2j2mA1 GLN 37 HE22 -0.01 -0.03 -0.07 -0.04 7.69 7.54 2j2mA1 LEU 38 H -0.03 0.06 -0.18 -0.55 8.37 7.67 2j2mA1 LEU 38 HA -0.05 0.10 0.49 -0.75 4.35 4.14 2j2mA1 LEU 38 HB2 -0.02 -0.03 0.11 -0.04 1.64 1.65 2j2mA1 LEU 38 HB3 -0.03 0.09 0.18 -0.04 1.64 1.84 2j2mA1 LEU 38 HG -0.04 0.01 -0.32 -0.04 1.64 1.25 2j2mA1 LEU 38 HD13 -0.04 0.00 -0.01 -0.04 0.93 0.84 2j2mA1 LEU 38 HD23 -0.02 0.00 -0.00 -0.04 0.89 0.83 2j2mA1 ILE 39 H -0.09 0.53 -0.04 -0.55 8.25 8.10 2j2mA1 ILE 39 HA -0.05 0.01 0.35 -0.75 4.18 3.74 2j2mA1 ILE 39 HB -0.12 0.05 0.10 -0.04 1.89 1.88 2j2mA1 ILE 39 HG12 -0.02 -0.03 0.02 -0.04 1.49 1.42 2j2mA1 ILE 39 HG13 -0.03 -0.05 0.06 -0.04 1.21 1.15 2j2mA1 ILE 39 HG23 -0.05 0.00 -0.08 -0.04 0.93 0.77 2j2mA1 ILE 39 HD13 0.00 -0.02 -0.03 -0.04 0.88 0.79 2j2mA1 GLU 40 H -0.39 0.70 -0.06 -0.55 8.60 8.31 2j2mA1 GLU 40 HA -0.19 0.04 0.47 -0.75 4.29 3.86 2j2mA1 GLU 40 HB2 -1.00 0.00 0.12 -0.04 2.09 1.17 2j2mA1 GLU 40 HB3 -0.34 0.06 0.13 -0.04 1.99 1.79 2j2mA1 GLU 40 HG2 -0.07 0.05 -0.15 -0.04 2.34 2.13 2j2mA1 GLU 40 HG3 -0.08 0.03 0.05 -0.04 2.34 2.30 2j2mA1 LYS 41 H -0.10 0.38 -0.26 -0.55 8.42 7.88 2j2mA1 LYS 41 HA 0.00 0.02 0.47 -0.75 4.32 4.06 2j2mA1 LYS 41 HB2 -0.04 0.11 0.20 -0.04 1.87 2.10 2j2mA1 LYS 41 HB3 -0.04 0.04 0.22 -0.04 1.79 1.97 2j2mA1 LYS 41 HG2 -0.03 -0.01 -0.08 -0.04 1.46 1.30 2j2mA1 LYS 41 HG3 -0.01 -0.02 0.06 -0.04 1.46 1.44 2j2mA1 LYS 41 HD2 -0.03 -0.03 -0.01 -0.04 1.69 1.59 2j2mA1 LYS 41 HD3 -0.04 -0.03 -0.02 -0.04 1.68 1.55 2j2mA1 LYS 41 HE2 -0.06 -0.00 -0.02 -0.04 2.99 2.86 2j2mA1 LYS 41 HE3 -0.03 -0.00 -0.00 -0.04 2.99 2.92 2j2mA1 ILE 42 H -0.03 0.79 0.13 -0.55 8.25 8.60 2j2mA1 ILE 42 HA 0.05 0.03 0.52 -0.75 4.18 4.03 2j2mA1 ILE 42 HB -0.01 0.01 0.09 -0.04 1.89 1.94 2j2mA1 ILE 42 HG12 -0.04 0.14 0.08 -0.04 1.49 1.62 2j2mA1 ILE 42 HG13 -0.03 -0.06 -0.02 -0.04 1.21 1.06 2j2mA1 ILE 42 HG23 0.05 -0.00 -0.11 -0.04 0.93 0.82 2j2mA1 ILE 42 HD13 -0.11 -0.01 -0.01 -0.04 0.88 0.71 2j2mA1 ALA 43 H 0.00 0.78 -0.06 -0.55 8.40 8.58 2j2mA1 ALA 43 HA 0.03 -0.00 0.42 -0.75 4.34 4.04 2j2mA1 ALA 43 HB3 -0.00 -0.02 0.10 -0.04 1.41 1.45 2j2mA1 HIS 44 H 0.12 0.41 -0.26 -0.55 8.41 8.14 2j2mA1 HIS 44 HA -0.00 0.09 0.49 -0.75 4.63 4.46 2j2mA1 HIS 44 HB2 0.00 0.03 0.13 -0.04 3.26 3.38 2j2mA1 HIS 44 HB3 0.02 0.03 0.12 -0.04 3.20 3.33 2j2mA1 HIS 44 HD2 0.01 -0.02 -0.00 -0.04 6.97 6.91 2j2mA1 HIS 44 HE1 -0.04 -0.01 -0.05 -0.04 7.75 7.61 2j2mA1 PHE 45 H 0.24 0.47 -0.04 -0.55 8.34 8.47 2j2mA1 PHE 45 HA -0.02 -0.01 0.49 -0.75 4.62 4.33 2j2mA1 PHE 45 HB2 0.01 0.01 0.17 -0.04 3.15 3.30 2j2mA1 PHE 45 HB3 -0.01 0.12 0.24 -0.04 3.06 3.37 2j2mA1 PHE 45 HD2 -0.01 0.02 -0.02 -0.04 7.28 7.22 2j2mA1 PHE 45 HE2 -0.01 -0.02 -0.02 -0.04 7.38 7.28 2j2mA1 PHE 45 HZ -0.01 -0.02 -0.02 -0.04 7.32 7.23 2j2mA1 ASP 46 H 0.10 0.60 -0.21 -0.55 8.40 8.35 2j2mA1 ASP 46 HA -0.15 -0.04 0.36 -0.75 4.63 4.05 2j2mA1 ASP 46 HB2 -0.00 0.19 0.11 -0.04 2.71 2.96 2j2mA1 ASP 46 HB3 -0.02 -0.07 0.07 -0.04 2.70 2.64 2j2mA1 ARG 47 H -0.19 0.43 -0.75 -0.55 8.46 7.40 2j2mA1 ARG 47 HA -0.14 0.13 0.77 -0.75 4.34 4.35 2j2mA1 ARG 47 HB2 -0.21 0.09 0.14 -0.04 1.90 1.88 2j2mA1 ARG 47 HB3 -0.18 -0.03 0.15 -0.04 1.80 1.70 2j2mA1 ARG 47 HG2 -0.07 -0.01 0.01 -0.04 1.67 1.56 2j2mA1 ARG 47 HG3 -0.07 -0.04 -0.23 -0.04 1.67 1.28 2j2mA1 ARG 47 HD2 -0.04 0.05 -0.04 -0.04 3.22 3.15 2j2mA1 ARG 47 HD3 -0.04 -0.04 -0.01 -0.04 3.22 3.09 2j2mA1 GLU 48 H -0.31 0.35 -0.08 -0.55 8.60 8.01 2j2mA1 GLU 48 HA -0.33 0.03 0.31 -0.75 4.29 3.54 2j2mA1 GLU 48 HB2 -0.34 0.03 0.14 -0.04 2.09 1.87 2j2mA1 GLU 48 HB3 -0.30 -0.10 -0.01 -0.04 1.99 1.54 2j2mA1 GLU 48 HG2 -0.15 -0.05 0.02 -0.04 2.34 2.12 2j2mA1 GLU 48 HG3 -0.23 0.15 0.23 -0.04 2.34 2.45 2j2mA1 ARG 49 H -0.20 0.05 -0.19 -0.55 8.46 7.57 2j2mA1 ARG 49 HA -0.11 0.05 0.56 -0.75 4.34 4.08 2j2mA1 ARG 49 HB2 -0.10 -0.00 0.00 -0.04 1.90 1.76 2j2mA1 ARG 49 HB3 -0.06 0.08 -0.00 -0.04 1.80 1.78 2j2mA1 ARG 49 HG2 -0.19 -0.04 0.00 -0.04 1.67 1.41 2j2mA1 ARG 49 HG3 -0.11 -0.02 -0.01 -0.04 1.67 1.49 2j2mA1 ARG 49 HD2 -0.07 0.01 -0.00 -0.04 3.22 3.12 2j2mA1 ARG 49 HD3 -0.12 0.03 -0.09 -0.04 3.22 3.00 2j2mA1 VAL 50 H 0.06 0.15 0.20 -0.55 8.24 8.10 2j2mA1 VAL 50 HA -0.01 0.15 0.74 -0.75 4.13 4.25 2j2mA1 VAL 50 HB -0.01 0.25 0.16 -0.04 2.12 2.48 2j2mA1 VAL 50 HG13 0.12 -0.00 -0.10 -0.04 0.97 0.94 2j2mA1 VAL 50 HG23 0.18 -0.01 -0.08 -0.04 0.95 1.01 2j2mA1 PRO 51 HA -0.01 -0.08 0.44 -0.51 4.44 4.29 2j2mA1 PRO 51 HB2 -0.11 0.06 -0.01 -0.04 2.28 2.18 2j2mA1 PRO 51 HB3 0.00 -0.04 0.07 -0.04 2.02 2.01 2j2mA1 PRO 51 HG2 -0.41 0.06 0.01 -0.04 2.03 1.65 2j2mA1 PRO 51 HG3 -0.07 -0.04 0.05 -0.04 2.03 1.93 2j2mA1 PRO 51 HD2 -0.13 0.36 0.26 -0.04 3.68 4.12 2j2mA1 PRO 51 HD3 -0.07 0.09 0.21 -0.04 3.65 3.84 2j2mA1 GLU 52 H 0.00 -0.00 0.16 -0.55 8.60 8.22 2j2mA1 GLU 52 HA 0.02 0.15 0.62 -0.75 4.29 4.32 2j2mA1 GLU 52 HB2 0.03 -0.04 0.14 -0.04 2.09 2.18 2j2mA1 GLU 52 HB3 0.01 -0.03 0.14 -0.04 1.99 2.07 2j2mA1 GLU 52 HG2 0.01 -0.06 0.04 -0.04 2.34 2.29 2j2mA1 GLU 52 HG3 0.02 0.27 -0.26 -0.04 2.34 2.33 2j2mA1 ARG 53 H 0.03 0.11 0.07 -0.55 8.46 8.11 2j2mA1 ARG 53 HA -0.01 0.03 0.41 -0.75 4.34 4.03 2j2mA1 ARG 53 HB2 0.06 -0.11 -0.23 -0.04 1.90 1.58 2j2mA1 ARG 53 HB3 0.05 0.25 -0.13 -0.04 1.80 1.94 2j2mA1 ARG 53 HG2 -0.00 -0.07 -0.02 -0.04 1.67 1.55 2j2mA1 ARG 53 HG3 -0.01 0.04 -0.00 -0.04 1.67 1.66 2j2mA1 ARG 53 HD2 0.06 -0.01 -0.04 -0.04 3.22 3.19 2j2mA1 ARG 53 HD3 0.08 0.05 -0.11 -0.04 3.22 3.19 2j2mA1 VAL 54 H 0.01 0.09 0.11 -0.55 8.24 7.90 2j2mA1 VAL 54 HA 0.03 0.07 0.32 -0.75 4.13 3.79 2j2mA1 VAL 54 HB 0.02 0.03 0.10 -0.04 2.12 2.23 2j2mA1 VAL 54 HG13 0.01 -0.01 0.02 -0.04 0.97 0.94 2j2mA1 VAL 54 HG23 0.03 -0.01 -0.07 -0.04 0.95 0.86 2j2mA1 VAL 55 H 0.07 0.11 -0.12 -0.55 8.24 7.75 2j2mA1 VAL 55 HA 0.04 0.32 0.59 -0.75 4.13 4.33 2j2mA1 VAL 55 HB 0.11 -0.02 0.05 -0.04 2.12 2.23 2j2mA1 VAL 55 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.81 2j2mA1 VAL 55 HG23 0.36 -0.03 -0.15 -0.04 0.95 1.09 2j2mA1 HIS 56 H -0.01 0.71 0.24 -0.55 8.41 8.81 2j2mA1 HIS 56 HA 0.08 0.31 0.35 -0.75 4.63 4.62 2j2mA1 HIS 56 HB2 0.05 0.16 -0.08 -0.04 3.26 3.36 2j2mA1 HIS 56 HB3 0.05 -0.02 0.14 -0.04 3.20 3.32 2j2mA1 HIS 56 HD2 0.12 -0.08 -0.28 -0.04 6.97 6.69 2j2mA1 HIS 56 HE1 0.11 -0.07 -0.23 -0.04 7.75 7.51 2j2mA1 ALA 57 H 0.08 0.20 -0.37 -0.55 8.40 7.76 2j2mA1 ALA 57 HA 0.09 0.03 0.35 -0.75 4.34 4.05 2j2mA1 ALA 57 HB3 0.06 0.07 -0.06 -0.04 1.41 1.45 2j2mA1 ARG 58 H 0.12 0.14 -0.31 -0.55 8.46 7.85 2j2mA1 ARG 58 HA 0.18 0.01 0.65 -0.75 4.34 4.42 2j2mA1 ARG 58 HB2 0.16 0.21 -0.02 -0.04 1.90 2.21 2j2mA1 ARG 58 HB3 0.15 -0.07 -0.03 -0.04 1.80 1.81 2j2mA1 ARG 58 HG2 0.18 0.15 -0.15 -0.04 1.67 1.80 2j2mA1 ARG 58 HG3 0.23 -0.10 -0.31 -0.04 1.67 1.45 2j2mA1 ARG 58 HD2 0.23 -0.05 -0.06 -0.04 3.22 3.30 2j2mA1 ARG 58 HD3 0.21 -0.09 0.12 -0.04 3.22 3.42 2j2mA1 GLY 59 H 0.25 0.19 0.22 -0.55 8.43 8.55 2j2mA1 GLY 59 HA2 0.13 0.05 0.74 -0.51 4.01 4.42 2j2mA1 GLY 59 HA3 0.09 0.16 0.25 -0.51 4.01 4.01 2j2mA1 PHE 60 H -0.03 0.81 0.34 -0.55 8.34 8.91 2j2mA1 PHE 60 HA 0.19 0.08 0.91 -0.75 4.62 5.05 2j2mA1 PHE 60 HB2 0.28 -0.05 -0.13 -0.04 3.15 3.21 2j2mA1 PHE 60 HB3 -0.01 -0.02 0.00 -0.04 3.06 2.99 2j2mA1 PHE 60 HD2 0.23 -0.04 -0.12 -0.04 7.28 7.31 2j2mA1 PHE 60 HE2 0.32 -0.01 -0.13 -0.04 7.38 7.51 2j2mA1 PHE 60 HZ 0.11 0.04 -0.22 -0.04 7.32 7.21 2j2mA1 GLY 61 H -0.66 0.13 0.23 -0.55 8.43 7.58 2j2mA1 GLY 61 HA2 -0.78 0.37 1.17 -0.51 4.01 4.26 2j2mA1 GLY 61 HA3 -0.62 0.01 0.36 -0.51 4.01 3.26 2j2mA1 ALA 62 H -0.95 0.58 0.34 -0.55 8.40 7.82 2j2mA1 ALA 62 HA -0.28 0.03 0.63 -0.75 4.34 3.97 2j2mA1 ALA 62 HB3 -0.09 0.03 -0.06 -0.04 1.41 1.25 2j2mA1 HIS 63 H 0.07 0.54 0.27 -0.55 8.41 8.74 2j2mA1 HIS 63 HA 0.05 0.21 1.00 -0.75 4.63 5.13 2j2mA1 HIS 63 HB2 -0.01 0.04 0.15 -0.04 3.26 3.41 2j2mA1 HIS 63 HB3 0.01 0.05 0.13 -0.04 3.20 3.34 2j2mA1 HIS 63 HD2 0.08 0.07 -0.20 -0.04 6.97 6.88 2j2mA1 HIS 63 HE1 -0.25 0.07 -0.05 -0.04 7.75 7.48 2j2mA1 GLY 64 H 0.05 0.76 0.39 -0.55 8.43 9.08 2j2mA1 GLY 64 HA2 -0.05 -0.07 0.42 -0.51 4.01 3.81 2j2mA1 GLY 64 HA3 -0.03 0.21 0.76 -0.51 4.01 4.44 2j2mA1 VAL 65 H 0.01 0.61 0.40 -0.55 8.24 8.71 2j2mA1 VAL 65 HA 0.04 0.22 0.97 -0.75 4.13 4.61 2j2mA1 VAL 65 HB -0.00 0.00 -0.19 -0.04 2.12 1.89 2j2mA1 VAL 65 HG13 0.00 -0.00 0.00 -0.04 0.97 0.93 2j2mA1 VAL 65 HG23 0.03 0.01 -0.15 -0.04 0.95 0.80 2j2mA1 PHE 66 H 0.18 0.82 0.34 -0.55 8.34 9.12 2j2mA1 PHE 66 HA 0.15 0.23 1.02 -0.75 4.62 5.26 2j2mA1 PHE 66 HB2 0.06 -0.00 -0.05 -0.04 3.15 3.11 2j2mA1 PHE 66 HB3 0.21 0.01 0.05 -0.04 3.06 3.29 2j2mA1 PHE 66 HD2 0.49 -0.00 -0.31 -0.04 7.28 7.41 2j2mA1 PHE 66 HE2 0.22 -0.01 -0.31 -0.04 7.38 7.24 2j2mA1 PHE 66 HZ 0.05 -0.05 -0.28 -0.04 7.32 7.00 2j2mA1 LYS 67 H -0.70 0.53 0.21 -0.55 8.42 7.90 2j2mA1 LYS 67 HA -0.07 0.37 1.07 -0.75 4.32 4.94 2j2mA1 LYS 67 HB2 -0.05 0.00 -0.11 -0.04 1.87 1.67 2j2mA1 LYS 67 HB3 -0.13 0.01 0.12 -0.04 1.79 1.76 2j2mA1 LYS 67 HG2 -0.03 -0.05 -0.09 -0.04 1.46 1.24 2j2mA1 LYS 67 HG3 -0.07 -0.01 -0.44 -0.04 1.46 0.89 2j2mA1 LYS 67 HD2 -0.00 -0.00 -0.26 -0.04 1.69 1.38 2j2mA1 LYS 67 HD3 -0.00 -0.00 -0.17 -0.04 1.68 1.46 2j2mA1 LYS 67 HE2 0.00 -0.06 -0.05 -0.04 2.99 2.85 2j2mA1 LYS 67 HE3 0.00 -0.06 -0.02 -0.04 2.99 2.88 2j2mA1 VAL 68 H 0.03 0.67 0.19 -0.55 8.24 8.58 2j2mA1 VAL 68 HA -0.06 0.05 0.74 -0.75 4.13 4.10 2j2mA1 VAL 68 HB 0.22 0.00 -0.03 -0.04 2.12 2.26 2j2mA1 VAL 68 HG13 0.30 0.06 0.01 -0.04 0.97 1.31 2j2mA1 VAL 68 HG23 0.01 -0.02 -0.38 -0.04 0.95 0.52 2j2mA1 LYS 69 H -0.07 0.64 0.57 -0.55 8.42 9.00 2j2mA1 LYS 69 HA 0.01 0.09 0.87 -0.75 4.32 4.54 2j2mA1 LYS 69 HB2 0.05 -0.02 0.03 -0.04 1.87 1.89 2j2mA1 LYS 69 HB3 0.03 0.03 -0.08 -0.04 1.79 1.73 2j2mA1 LYS 69 HG2 0.17 -0.01 -0.14 -0.04 1.46 1.44 2j2mA1 LYS 69 HG3 0.07 -0.02 0.03 -0.04 1.46 1.50 2j2mA1 LYS 69 HD2 0.07 0.00 -0.02 -0.04 1.69 1.69 2j2mA1 LYS 69 HD3 0.19 -0.00 -0.06 -0.04 1.68 1.77 2j2mA1 LYS 69 HE2 0.05 -0.00 -0.07 -0.04 2.99 2.92 2j2mA1 LYS 69 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.93 2j2mA1 ASN 70 H -0.01 0.52 0.19 -0.55 8.53 8.68 2j2mA1 ASN 70 HA 0.03 0.06 0.96 -0.75 4.76 5.05 2j2mA1 ASN 70 HB2 0.04 0.18 0.20 -0.04 2.88 3.26 2j2mA1 ASN 70 HB3 0.05 0.04 0.05 -0.04 2.79 2.89 2j2mA1 ASN 70 HD21 0.08 -0.05 -0.06 -0.04 7.03 6.96 2j2mA1 ASN 70 HD22 0.05 0.00 0.03 -0.04 7.74 7.79 2j2mA1 SER 71 H -0.00 0.06 0.08 -0.55 8.46 8.06 2j2mA1 SER 71 HA -0.05 0.21 0.35 -0.75 4.49 4.24 2j2mA1 SER 71 HB2 -0.02 -0.05 0.18 -0.04 3.95 4.02 2j2mA1 SER 71 HB3 -0.02 -0.07 0.10 -0.04 3.93 3.90 2j2mA1 MET 72 H -0.10 0.58 0.28 -0.55 8.47 8.68 2j2mA1 MET 72 HA 0.06 0.16 0.80 -0.75 4.52 4.78 2j2mA1 MET 72 HB2 -0.22 0.07 0.07 -0.04 2.15 2.03 2j2mA1 MET 72 HB3 0.07 -0.11 0.14 -0.04 2.03 2.09 2j2mA1 MET 72 HG2 0.02 0.28 -0.15 -0.04 2.63 2.73 2j2mA1 MET 72 HG3 0.04 -0.06 -0.04 -0.04 2.56 2.46 2j2mA1 MET 72 HE3 0.11 0.10 -0.07 -0.04 2.10 2.20 2j2mA1 LYS 73 H -0.08 0.14 0.00 -0.55 8.42 7.93 2j2mA1 LYS 73 HA -0.10 0.45 0.39 -0.75 4.32 4.30 2j2mA1 LYS 73 HB2 -0.07 -0.01 0.08 -0.04 1.87 1.83 2j2mA1 LYS 73 HB3 -0.08 0.07 0.18 -0.04 1.79 1.92 2j2mA1 LYS 73 HG2 -0.06 -0.01 0.03 -0.04 1.46 1.38 2j2mA1 LYS 73 HG3 -0.07 -0.01 -0.19 -0.04 1.46 1.15 2j2mA1 LYS 73 HD2 -0.04 -0.03 -0.05 -0.04 1.69 1.54 2j2mA1 LYS 73 HD3 -0.04 0.03 0.03 -0.04 1.68 1.65 2j2mA1 LYS 73 HE2 -0.03 -0.02 0.00 -0.04 2.99 2.90 2j2mA1 LYS 73 HE3 -0.03 0.06 0.05 -0.04 2.99 3.03 2j2mA1 LYS 74 H -0.13 0.09 -0.30 -0.55 8.42 7.52 2j2mA1 LYS 74 HA -0.14 0.02 0.44 -0.75 4.32 3.89 2j2mA1 LYS 74 HB2 -0.24 -0.02 0.04 -0.04 1.87 1.61 2j2mA1 LYS 74 HB3 -0.61 0.03 -0.04 -0.04 1.79 1.12 2j2mA1 LYS 74 HG2 -0.63 0.03 -0.17 -0.04 1.46 0.64 2j2mA1 LYS 74 HG3 -0.23 -0.03 0.01 -0.04 1.46 1.18 2j2mA1 LYS 74 HD2 -0.18 -0.02 -0.02 -0.04 1.69 1.43 2j2mA1 LYS 74 HD3 -0.44 0.03 -0.04 -0.04 1.68 1.19 2j2mA1 LYS 74 HE2 -0.32 0.02 -0.07 -0.04 2.99 2.57 2j2mA1 LYS 74 HE3 -0.11 -0.02 -0.04 -0.04 2.99 2.77 2j2mA1 TYR 75 H -0.01 0.41 -0.29 -0.55 8.29 7.85 2j2mA1 TYR 75 HA 0.10 0.13 0.61 -0.75 4.56 4.64 2j2mA1 TYR 75 HB2 0.33 0.09 0.00 -0.04 3.06 3.44 2j2mA1 TYR 75 HB3 0.39 -0.02 -0.09 -0.04 2.98 3.21 2j2mA1 TYR 75 HD2 0.15 0.05 -0.10 -0.04 7.15 7.20 2j2mA1 TYR 75 HE2 0.07 0.01 -0.09 -0.04 6.85 6.80 2j2mA1 THR 76 H -0.00 0.61 0.15 -0.55 8.28 8.49 2j2mA1 THR 76 HA -0.07 0.35 0.48 -0.75 4.39 4.39 2j2mA1 THR 76 HB -0.53 0.06 -0.14 -0.04 4.32 3.67 2j2mA1 THR 76 HG23 -0.90 -0.00 -0.13 -0.04 1.22 0.15 2j2mA1 LYS 77 H -0.16 0.53 0.27 -0.55 8.42 8.51 2j2mA1 LYS 77 HA -0.14 0.13 0.70 -0.75 4.32 4.27 2j2mA1 LYS 77 HB2 -0.10 0.00 0.10 -0.04 1.87 1.83 2j2mA1 LYS 77 HB3 -0.09 -0.16 -0.08 -0.04 1.79 1.43 2j2mA1 LYS 77 HG2 -0.09 0.23 -0.12 -0.04 1.46 1.44 2j2mA1 LYS 77 HG3 -0.12 0.00 -0.25 -0.04 1.46 1.06 2j2mA1 LYS 77 HD2 -0.12 -0.01 -0.10 -0.04 1.69 1.42 2j2mA1 LYS 77 HD3 -0.10 -0.02 -0.14 -0.04 1.68 1.37 2j2mA1 LYS 77 HE2 -0.07 0.04 -0.14 -0.04 2.99 2.78 2j2mA1 LYS 77 HE3 -0.07 -0.12 -0.11 -0.04 2.99 2.65 2j2mA1 ALA 78 H -0.39 0.02 -0.34 -0.55 8.40 7.15 2j2mA1 ALA 78 HA -0.21 0.36 0.54 -0.75 4.34 4.29 2j2mA1 ALA 78 HB3 -0.61 -0.01 -0.04 -0.04 1.41 0.71 2j2mA1 ALA 79 H -0.04 0.23 0.19 -0.55 8.40 8.23 2j2mA1 ALA 79 HA -0.04 0.11 0.29 -0.75 4.34 3.95 2j2mA1 ALA 79 HB3 0.07 0.00 0.10 -0.04 1.41 1.54 2j2mA1 PHE 80 H 0.22 0.10 -0.17 -0.55 8.34 7.93 2j2mA1 PHE 80 HA 0.00 0.11 0.31 -0.75 4.62 4.29 2j2mA1 PHE 80 HB2 0.08 0.07 0.01 -0.04 3.15 3.27 2j2mA1 PHE 80 HB3 0.03 -0.10 0.05 -0.04 3.06 2.99 2j2mA1 PHE 80 HD2 0.05 -0.03 -0.16 -0.04 7.28 7.09 2j2mA1 PHE 80 HE2 -0.30 0.01 -0.17 -0.04 7.38 6.88 2j2mA1 PHE 80 HZ -0.44 0.02 -0.15 -0.04 7.32 6.71 2j2mA1 LEU 81 H -0.53 0.36 -0.62 -0.55 8.37 7.04 2j2mA1 LEU 81 HA -0.33 0.19 0.54 -0.75 4.35 3.99 2j2mA1 LEU 81 HB2 -0.96 -0.02 -0.09 -0.04 1.64 0.53 2j2mA1 LEU 81 HB3 -0.49 -0.05 -0.03 -0.04 1.64 1.02 2j2mA1 LEU 81 HG -0.39 0.02 -0.03 -0.04 1.64 1.19 2j2mA1 LEU 81 HD13 -0.49 -0.00 -0.19 -0.04 0.93 0.21 2j2mA1 LEU 81 HD23 -1.10 -0.01 -0.12 -0.04 0.89 -0.38 2j2mA1 GLN 82 H -0.14 0.39 -0.30 -0.55 8.47 7.87 2j2mA1 GLN 82 HA -0.11 -0.04 0.52 -0.75 4.36 3.97 2j2mA1 GLN 82 HB2 -0.05 0.09 0.10 -0.04 2.15 2.25 2j2mA1 GLN 82 HB3 -0.05 -0.06 0.03 -0.04 2.02 1.89 2j2mA1 GLN 82 HG2 -0.10 0.14 -0.05 -0.04 2.40 2.34 2j2mA1 GLN 82 HG3 -0.06 -0.04 -0.02 -0.04 2.39 2.23 2j2mA1 GLN 82 HE21 -0.19 0.39 -0.02 -0.04 6.97 7.11 2j2mA1 GLN 82 HE22 -0.23 0.56 -0.38 -0.04 7.69 7.60 2j2mA1 GLU 83 H -0.03 0.26 -0.14 -0.55 8.60 8.13 2j2mA1 GLU 83 HA -0.02 0.11 0.88 -0.75 4.29 4.52 2j2mA1 GLU 83 HB2 0.01 0.00 0.01 -0.04 2.09 2.07 2j2mA1 GLU 83 HB3 0.00 0.09 -0.01 -0.04 1.99 2.02 2j2mA1 GLU 83 HG2 -0.02 -0.11 -0.24 -0.04 2.34 1.93 2j2mA1 GLU 83 HG3 0.00 0.02 -0.06 -0.04 2.34 2.26 2j2mA1 GLU 84 H -0.00 0.07 0.11 -0.55 8.60 8.23 2j2mA1 GLU 84 HA 0.01 0.06 0.14 -0.75 4.29 3.74 2j2mA1 GLU 84 HB2 0.01 0.09 0.09 -0.04 2.09 2.24 2j2mA1 GLU 84 HB3 0.01 0.06 -0.08 -0.04 1.99 1.94 2j2mA1 GLU 84 HG2 0.00 -0.13 0.16 -0.04 2.34 2.34 2j2mA1 GLU 84 HG3 0.01 -0.00 0.01 -0.04 2.34 2.32 2j2mA1 GLY 85 H 0.01 0.99 0.32 -0.55 8.43 9.21 2j2mA1 GLY 85 HA2 0.01 -0.02 0.35 -0.51 4.01 3.84 2j2mA1 GLY 85 HA3 0.02 0.07 0.57 -0.51 4.01 4.16 2j2mA1 THR 86 H 0.04 0.32 -0.21 -0.55 8.28 7.88 2j2mA1 THR 86 HA 0.05 0.06 0.55 -0.75 4.39 4.29 2j2mA1 THR 86 HB 0.07 -0.04 0.12 -0.04 4.32 4.42 2j2mA1 THR 86 HG23 0.05 0.08 0.07 -0.04 1.22 1.38 2j2mA1 GLU 87 H 0.05 0.16 0.27 -0.55 8.60 8.53 2j2mA1 GLU 87 HA 0.10 0.39 1.12 -0.75 4.29 5.13 2j2mA1 GLU 87 HB2 0.02 -0.04 0.06 -0.04 2.09 2.09 2j2mA1 GLU 87 HB3 0.03 -0.01 0.01 -0.04 1.99 1.98 2j2mA1 GLU 87 HG2 0.02 0.09 -0.25 -0.04 2.34 2.15 2j2mA1 GLU 87 HG3 0.02 -0.01 0.07 -0.04 2.34 2.38 2j2mA1 VAL 88 H 0.19 0.62 0.35 -0.55 8.24 8.85 2j2mA1 VAL 88 HA 0.01 0.25 1.01 -0.75 4.13 4.65 2j2mA1 VAL 88 HB 0.05 -0.03 -0.03 -0.04 2.12 2.08 2j2mA1 VAL 88 HG13 0.30 -0.04 -0.11 -0.04 0.97 1.08 2j2mA1 VAL 88 HG23 0.03 0.04 -0.25 -0.04 0.95 0.74 2j2mA1 PRO 89 HA 0.03 0.17 0.74 -0.51 4.44 4.87 2j2mA1 PRO 89 HB2 0.04 0.02 0.07 -0.04 2.28 2.37 2j2mA1 PRO 89 HB3 -0.03 0.04 0.16 -0.04 2.02 2.16 2j2mA1 PRO 89 HG2 -0.08 0.07 0.14 -0.04 2.03 2.12 2j2mA1 PRO 89 HG3 -0.07 0.01 0.11 -0.04 2.03 2.04 2j2mA1 PRO 89 HD2 -0.05 0.29 0.32 -0.04 3.68 4.20 2j2mA1 PRO 89 HD3 -0.10 0.15 0.25 -0.04 3.65 3.91 2j2mA1 VAL 90 H 0.04 0.62 0.34 -0.55 8.24 8.68 2j2mA1 VAL 90 HA -0.02 0.38 0.86 -0.75 4.13 4.59 2j2mA1 VAL 90 HB -0.45 0.05 -0.12 -0.04 2.12 1.55 2j2mA1 VAL 90 HG13 -0.69 -0.01 -0.26 -0.04 0.97 -0.03 2j2mA1 VAL 90 HG23 -0.15 -0.04 -0.44 -0.04 0.95 0.28 2j2mA1 PHE 91 H 0.05 0.52 0.28 -0.55 8.34 8.64 2j2mA1 PHE 91 HA -0.22 0.16 0.80 -0.75 4.62 4.61 2j2mA1 PHE 91 HB2 0.02 0.01 0.02 -0.04 3.15 3.17 2j2mA1 PHE 91 HB3 -0.03 0.02 0.09 -0.04 3.06 3.11 2j2mA1 PHE 91 HD2 -0.78 -0.02 -0.22 -0.04 7.28 6.21 2j2mA1 PHE 91 HE2 -0.44 -0.02 -0.27 -0.04 7.38 6.62 2j2mA1 PHE 91 HZ -0.37 -0.15 -0.26 -0.04 7.32 6.50 2j2mA1 ALA 92 H -0.96 0.79 0.33 -0.55 8.40 8.01 2j2mA1 ALA 92 HA -0.66 0.34 1.16 -0.75 4.34 4.42 2j2mA1 ALA 92 HB3 -0.90 -0.03 -0.04 -0.04 1.41 0.40 2j2mA1 ARG 93 H -0.96 0.66 0.29 -0.55 8.46 7.91 2j2mA1 ARG 93 HA -0.68 0.22 0.82 -0.75 4.34 3.95 2j2mA1 ARG 93 HB2 -0.16 0.01 -0.18 -0.04 1.90 1.53 2j2mA1 ARG 93 HB3 -0.25 -0.05 -0.04 -0.04 1.80 1.42 2j2mA1 ARG 93 HG2 -0.16 0.01 -0.37 -0.04 1.67 1.10 2j2mA1 ARG 93 HG3 -0.21 -0.11 -0.23 -0.04 1.67 1.08 2j2mA1 ARG 93 HD2 -0.00 0.08 -0.10 -0.04 3.22 3.16 2j2mA1 ARG 93 HD3 0.08 -0.01 -0.16 -0.04 3.22 3.09 2j2mA1 PHE 94 H -0.42 0.69 0.35 -0.55 8.34 8.41 2j2mA1 PHE 94 HA -0.37 0.38 0.83 -0.75 4.62 4.71 2j2mA1 PHE 94 HB2 -0.93 -0.12 0.07 -0.04 3.15 2.13 2j2mA1 PHE 94 HB3 -0.62 0.05 0.11 -0.04 3.06 2.57 2j2mA1 PHE 94 HD2 -0.38 0.08 0.01 -0.04 7.28 6.95 2j2mA1 PHE 94 HE2 -1.77 -0.03 -0.19 -0.04 7.38 5.35 2j2mA1 PHE 94 HZ -1.67 -0.03 -0.21 -0.04 7.32 5.37 2j2mA1 SER 95 H 0.01 0.44 0.29 -0.55 8.46 8.66 2j2mA1 SER 95 HA 0.07 0.07 0.96 -0.75 4.49 4.83 2j2mA1 SER 95 HB2 0.20 0.24 0.07 -0.04 3.95 4.41 2j2mA1 SER 95 HB3 0.06 -0.01 -0.37 -0.04 3.93 3.57 2j2mA1 THR 96 H 0.18 0.40 0.17 -0.55 8.28 8.48 2j2mA1 THR 96 HA 0.12 0.28 0.84 -0.75 4.39 4.88 2j2mA1 THR 96 HB 0.08 -0.19 0.16 -0.04 4.32 4.34 2j2mA1 THR 96 HG23 0.17 0.03 -0.01 -0.04 1.22 1.37 2j2mA1 VAL 97 H -0.03 0.06 0.12 -0.55 8.24 7.84 2j2mA1 VAL 97 HA -0.62 0.19 1.03 -0.75 4.13 3.98 2j2mA1 VAL 97 HB -0.10 -0.03 0.16 -0.04 2.12 2.11 2j2mA1 VAL 97 HG13 -0.07 0.00 -0.15 -0.04 0.97 0.71 2j2mA1 VAL 97 HG23 -0.27 0.07 -0.20 -0.04 0.95 0.52 2j2mA1 ILE 98 H -0.03 0.07 0.18 -0.55 8.25 7.92 2j2mA1 ILE 98 HA -0.12 0.11 0.18 -0.75 4.18 3.59 2j2mA1 ILE 98 HB -0.08 -0.02 0.16 -0.04 1.89 1.91 2j2mA1 ILE 98 HG12 -0.13 -0.08 0.05 -0.04 1.49 1.29 2j2mA1 ILE 98 HG13 -0.21 0.07 -0.04 -0.04 1.21 0.99 2j2mA1 ILE 98 HG23 -0.40 0.06 -0.20 -0.04 0.93 0.34 2j2mA1 ILE 98 HD13 -0.20 0.01 -0.09 -0.04 0.88 0.56 2j2mA1 HIS 99 H 0.16 -0.05 0.03 -0.55 8.41 8.02 2j2mA1 HIS 99 HA 0.01 0.20 0.48 -0.75 4.63 4.56 2j2mA1 HIS 99 HB2 0.04 0.00 0.08 -0.04 3.26 3.34 2j2mA1 HIS 99 HB3 0.04 -0.04 0.15 -0.04 3.20 3.30 2j2mA1 HIS 99 HD2 0.02 0.05 0.05 -0.04 6.97 7.04 2j2mA1 HIS 99 HE1 0.03 0.04 0.03 -0.04 7.75 7.80 2j2mA1 GLY 100 H 0.16 0.08 0.09 -0.55 8.43 8.21 2j2mA1 GLY 100 HA2 0.06 0.16 0.22 -0.51 4.01 3.94 2j2mA1 GLY 100 HA3 0.06 0.06 0.31 -0.51 4.01 3.93 2j2mA1 THR 101 H 0.03 0.14 0.09 -0.55 8.28 7.99 2j2mA1 THR 101 HA 0.08 0.06 0.33 -0.75 4.39 4.11 2j2mA1 THR 101 HB -0.03 -0.00 0.15 -0.04 4.32 4.39 2j2mA1 THR 101 HG23 -0.41 0.00 -0.11 -0.04 1.22 0.66 2j2mA1 HIS 102 H 0.27 0.12 0.18 -0.55 8.41 8.43 2j2mA1 HIS 102 HA 0.23 -0.00 0.30 -0.75 4.63 4.40 2j2mA1 HIS 102 HB2 0.08 0.23 -0.09 -0.04 3.26 3.44 2j2mA1 HIS 102 HB3 0.18 -0.03 0.14 -0.04 3.20 3.45 2j2mA1 HIS 102 HD2 0.07 -0.01 0.05 -0.04 6.97 7.04 2j2mA1 HIS 102 HE1 0.03 0.00 -0.02 -0.04 7.75 7.72 2j2mA1 SER 103 H 0.18 0.38 -0.50 -0.55 8.46 7.98 2j2mA1 SER 103 HA 0.09 0.08 0.59 -0.75 4.49 4.49 2j2mA1 SER 103 HB2 0.15 0.06 -0.08 -0.04 3.95 4.03 2j2mA1 SER 103 HB3 0.15 -0.02 -0.11 -0.04 3.93 3.91 2j2mA1 PRO 104 HA 0.25 0.34 0.53 -0.51 4.44 5.05 2j2mA1 PRO 104 HB2 0.06 -0.10 0.07 -0.04 2.28 2.28 2j2mA1 PRO 104 HB3 0.14 0.04 0.19 -0.04 2.02 2.35 2j2mA1 PRO 104 HG2 0.01 0.04 0.10 -0.04 2.03 2.13 2j2mA1 PRO 104 HG3 0.06 0.09 0.14 -0.04 2.03 2.28 2j2mA1 PRO 104 HD2 -0.04 0.04 0.20 -0.04 3.68 3.84 2j2mA1 PRO 104 HD3 0.00 0.16 0.27 -0.04 3.65 4.04 2j2mA1 GLU 105 H 0.13 0.23 0.16 -0.55 8.60 8.59 2j2mA1 GLU 105 HA 0.09 0.22 0.76 -0.75 4.29 4.61 2j2mA1 GLU 105 HB2 -0.14 -0.24 0.04 -0.04 2.09 1.71 2j2mA1 GLU 105 HB3 -0.26 0.03 0.12 -0.04 1.99 1.84 2j2mA1 GLU 105 HG2 0.14 0.09 -0.07 -0.04 2.34 2.45 2j2mA1 GLU 105 HG3 0.08 0.24 -0.03 -0.04 2.34 2.60 2j2mA1 THR 106 H 0.12 0.03 -0.41 -0.55 8.28 7.46 2j2mA1 THR 106 HA 0.15 0.27 0.70 -0.75 4.39 4.76 2j2mA1 THR 106 HB 0.01 0.00 0.14 -0.04 4.32 4.43 2j2mA1 THR 106 HG23 -0.05 -0.02 -0.06 -0.04 1.22 1.04 2j2mA1 LEU 107 H 0.07 0.12 -0.31 -0.55 8.37 7.69 2j2mA1 LEU 107 HA 0.03 0.06 0.64 -0.75 4.35 4.33 2j2mA1 LEU 107 HB2 0.05 0.00 -0.05 -0.04 1.64 1.60 2j2mA1 LEU 107 HB3 0.02 0.03 0.05 -0.04 1.64 1.70 2j2mA1 LEU 107 HG -0.01 0.08 -0.01 -0.04 1.64 1.66 2j2mA1 LEU 107 HD13 -0.30 -0.01 0.03 -0.04 0.93 0.61 2j2mA1 LEU 107 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.70 2j2mA1 ARG 108 H 0.04 0.04 0.13 -0.55 8.46 8.11 2j2mA1 ARG 108 HA 0.01 0.38 0.54 -0.75 4.34 4.52 2j2mA1 ARG 108 HB2 0.03 -0.04 0.07 -0.04 1.90 1.92 2j2mA1 ARG 108 HB3 0.00 -0.09 0.12 -0.04 1.80 1.80 2j2mA1 ARG 108 HG2 -0.21 -0.06 -0.20 -0.04 1.67 1.16 2j2mA1 ARG 108 HG3 -0.09 0.08 -0.01 -0.04 1.67 1.61 2j2mA1 ARG 108 HD2 -0.19 -0.09 -0.07 -0.04 3.22 2.83 2j2mA1 ARG 108 HD3 -0.51 0.12 -0.10 -0.04 3.22 2.68 2j2mA1 ASP 109 H 0.01 0.77 0.37 -0.55 8.40 9.01 2j2mA1 ASP 109 HA -0.02 -0.02 0.55 -0.75 4.63 4.38 2j2mA1 ASP 109 HB2 0.05 0.05 -0.27 -0.04 2.71 2.50 2j2mA1 ASP 109 HB3 0.04 0.35 0.05 -0.04 2.70 3.09 2j2mA1 PRO 110 HA 0.07 0.08 0.64 -0.51 4.44 4.73 2j2mA1 PRO 110 HB2 0.19 0.03 -0.11 -0.04 2.28 2.34 2j2mA1 PRO 110 HB3 0.13 0.01 0.10 -0.04 2.02 2.21 2j2mA1 PRO 110 HG2 0.24 0.01 0.02 -0.04 2.03 2.26 2j2mA1 PRO 110 HG3 0.05 0.04 0.04 -0.04 2.03 2.12 2j2mA1 PRO 110 HD2 0.06 0.03 0.20 -0.04 3.68 3.92 2j2mA1 PRO 110 HD3 0.08 0.12 0.13 -0.04 3.65 3.94 2j2mA1 ARG 111 H 0.15 0.01 0.22 -0.55 8.46 8.29 2j2mA1 ARG 111 HA 0.19 0.32 1.04 -0.75 4.34 5.14 2j2mA1 ARG 111 HB2 0.18 -0.08 0.17 -0.04 1.90 2.13 2j2mA1 ARG 111 HB3 0.24 0.04 0.00 -0.04 1.80 2.04 2j2mA1 ARG 111 HG2 0.24 -0.08 -0.06 -0.04 1.67 1.73 2j2mA1 ARG 111 HG3 0.37 0.08 0.03 -0.04 1.67 2.11 2j2mA1 ARG 111 HD2 0.15 0.10 -0.08 -0.04 3.22 3.36 2j2mA1 ARG 111 HD3 0.13 0.06 -0.15 -0.04 3.22 3.22 2j2mA1 GLY 112 H 0.29 0.41 0.05 -0.55 8.43 8.63 2j2mA1 GLY 112 HA2 0.20 0.11 0.53 -0.51 4.01 4.34 2j2mA1 GLY 112 HA3 0.19 0.05 0.27 -0.51 4.01 4.02 2j2mA1 PHE 113 H 0.11 0.72 0.17 -0.55 8.34 8.79 2j2mA1 PHE 113 HA 0.04 0.12 0.71 -0.75 4.62 4.73 2j2mA1 PHE 113 HB2 0.09 0.10 -0.30 -0.04 3.15 3.00 2j2mA1 PHE 113 HB3 0.16 -0.13 -0.14 -0.04 3.06 2.90 2j2mA1 PHE 113 HD2 -0.17 0.13 -0.45 -0.04 7.28 6.75 2j2mA1 PHE 113 HE2 -1.32 0.03 -0.32 -0.04 7.38 5.73 2j2mA1 PHE 113 HZ -2.17 -0.05 -0.23 -0.04 7.32 4.83 2j2mA1 SER 114 H -0.62 0.62 0.19 -0.55 8.46 8.11 2j2mA1 SER 114 HA -0.36 0.28 1.05 -0.75 4.49 4.70 2j2mA1 SER 114 HB2 -1.08 0.05 0.11 -0.04 3.95 2.99 2j2mA1 SER 114 HB3 -2.00 -0.00 -0.05 -0.04 3.93 1.83 2j2mA1 VAL 115 H -0.28 0.77 0.30 -0.55 8.24 8.47 2j2mA1 VAL 115 HA -0.44 0.27 0.97 -0.75 4.13 4.18 2j2mA1 VAL 115 HB -0.07 -0.08 0.01 -0.04 2.12 1.95 2j2mA1 VAL 115 HG13 -0.80 -0.01 -0.30 -0.04 0.97 -0.18 2j2mA1 VAL 115 HG23 -0.63 -0.02 -0.38 -0.04 0.95 -0.12 2j2mA1 LYS 116 H -0.03 0.73 0.29 -0.55 8.42 8.85 2j2mA1 LYS 116 HA -0.04 0.16 0.87 -0.75 4.32 4.54 2j2mA1 LYS 116 HB2 0.09 -0.00 0.01 -0.04 1.87 1.93 2j2mA1 LYS 116 HB3 -0.11 -0.05 0.17 -0.04 1.79 1.77 2j2mA1 LYS 116 HG2 -1.01 -0.05 -0.35 -0.04 1.46 0.01 2j2mA1 LYS 116 HG3 -0.29 -0.04 -0.10 -0.04 1.46 0.98 2j2mA1 LYS 116 HD2 -0.31 0.06 -0.03 -0.04 1.69 1.37 2j2mA1 LYS 116 HD3 -0.39 0.09 -0.10 -0.04 1.68 1.25 2j2mA1 LYS 116 HE2 -0.59 -0.10 -0.10 -0.04 2.99 2.16 2j2mA1 LYS 116 HE3 -0.28 0.02 0.01 -0.04 2.99 2.70 2j2mA1 PHE 117 H 0.08 0.64 0.29 -0.55 8.34 8.80 2j2mA1 PHE 117 HA -0.14 0.22 0.81 -0.75 4.62 4.76 2j2mA1 PHE 117 HB2 -0.09 -0.06 0.23 -0.04 3.15 3.20 2j2mA1 PHE 117 HB3 -0.32 -0.04 -0.07 -0.04 3.06 2.59 2j2mA1 PHE 117 HD2 -0.46 0.14 -0.09 -0.04 7.28 6.83 2j2mA1 PHE 117 HE2 -0.71 -0.03 -0.14 -0.04 7.38 6.45 2j2mA1 PHE 117 HZ 0.01 -0.04 -0.17 -0.04 7.32 7.07 2j2mA1 TYR 118 H 0.18 0.69 0.15 -0.55 8.29 8.76 2j2mA1 TYR 118 HA 0.06 0.05 0.67 -0.75 4.56 4.59 2j2mA1 TYR 118 HB2 0.01 0.01 0.23 -0.04 3.06 3.27 2j2mA1 TYR 118 HB3 0.11 -0.08 0.07 -0.04 2.98 3.04 2j2mA1 TYR 118 HD2 0.01 0.05 -0.21 -0.04 7.15 6.96 2j2mA1 TYR 118 HE2 -0.00 0.05 -0.28 -0.04 6.85 6.58 2j2mA1 THR 119 H 0.09 0.48 0.13 -0.55 8.28 8.43 2j2mA1 THR 119 HA -0.01 0.08 0.51 -0.75 4.39 4.22 2j2mA1 THR 119 HB 0.05 0.75 0.19 -0.04 4.32 5.27 2j2mA1 THR 119 HG23 0.12 -0.13 -0.11 -0.04 1.22 1.05 2j2mA1 GLU 120 H 0.06 0.12 0.14 -0.55 8.60 8.38 2j2mA1 GLU 120 HA 0.33 0.14 0.49 -0.75 4.29 4.49 2j2mA1 GLU 120 HB2 0.06 0.02 0.14 -0.04 2.09 2.27 2j2mA1 GLU 120 HB3 0.11 -0.03 0.04 -0.04 1.99 2.07 2j2mA1 GLU 120 HG2 0.14 -0.00 0.04 -0.04 2.34 2.48 2j2mA1 GLU 120 HG3 0.34 0.04 0.12 -0.04 2.34 2.79 2j2mA1 GLU 121 H 0.10 0.00 -0.26 -0.55 8.60 7.90 2j2mA1 GLU 121 HA 0.02 0.24 0.87 -0.75 4.29 4.67 2j2mA1 GLU 121 HB2 0.08 -0.10 0.13 -0.04 2.09 2.15 2j2mA1 GLU 121 HB3 0.03 0.07 0.26 -0.04 1.99 2.31 2j2mA1 GLU 121 HG2 0.07 0.11 -0.01 -0.04 2.34 2.46 2j2mA1 GLU 121 HG3 0.10 -0.12 -0.09 -0.04 2.34 2.19 2j2mA1 GLY 122 H 0.10 0.30 -0.32 -0.55 8.43 7.97 2j2mA1 GLY 122 HA2 0.05 0.02 0.31 -0.51 4.01 3.88 2j2mA1 GLY 122 HA3 0.03 0.27 0.82 -0.51 4.01 4.62 2j2mA1 ASN 123 H 0.04 0.16 0.14 -0.55 8.53 8.33 2j2mA1 ASN 123 HA 0.03 0.27 0.99 -0.75 4.76 5.29 2j2mA1 ASN 123 HB2 -0.01 -0.01 0.08 -0.04 2.88 2.90 2j2mA1 ASN 123 HB3 -0.08 0.01 -0.08 -0.04 2.79 2.60 2j2mA1 ASN 123 HD21 0.05 0.22 -0.41 -0.04 7.03 6.85 2j2mA1 ASN 123 HD22 -0.10 0.00 -0.07 -0.04 7.74 7.54 2j2mA1 TRP 124 H 0.16 0.43 0.30 -0.55 7.97 8.32 2j2mA1 TRP 124 HA -0.05 0.38 0.74 -0.75 4.62 4.94 2j2mA1 TRP 124 HB2 -0.11 -0.08 -0.01 -0.04 3.23 2.99 2j2mA1 TRP 124 HB3 -0.25 -0.07 0.13 -0.04 3.23 3.00 2j2mA1 TRP 124 HD1 -0.08 0.32 0.15 -0.04 7.22 7.56 2j2mA1 TRP 124 HE1 -0.23 0.05 -0.09 -0.04 10.20 9.89 2j2mA1 TRP 124 HE3 -1.27 -0.03 -0.10 -0.04 7.59 6.15 2j2mA1 TRP 124 HZ2 -0.01 -0.01 -0.10 -0.04 7.44 7.27 2j2mA1 TRP 124 HZ3 -0.96 -0.03 -0.15 -0.04 7.13 5.95 2j2mA1 TRP 124 HH2 -0.17 -0.03 -0.13 -0.04 7.19 6.81 2j2mA1 ASP 125 H 0.06 0.71 0.22 -0.55 8.40 8.84 2j2mA1 ASP 125 HA -0.19 0.26 1.13 -0.75 4.63 5.07 2j2mA1 ASP 125 HB2 -0.05 0.30 0.14 -0.04 2.71 3.05 2j2mA1 ASP 125 HB3 -0.03 -0.05 -0.19 -0.04 2.70 2.39 2j2mA1 PHE 126 H -0.45 0.71 0.27 -0.55 8.34 8.32 2j2mA1 PHE 126 HA -0.44 0.12 0.77 -0.75 4.62 4.32 2j2mA1 PHE 126 HB2 -0.80 -0.00 0.03 -0.04 3.15 2.34 2j2mA1 PHE 126 HB3 -0.20 -0.01 0.14 -0.04 3.06 2.96 2j2mA1 PHE 126 HD2 -0.02 -0.00 -0.17 -0.04 7.28 7.04 2j2mA1 PHE 126 HE2 -0.10 -0.01 -0.17 -0.04 7.38 7.06 2j2mA1 PHE 126 HZ -0.01 -0.11 -0.62 -0.04 7.32 6.54 2j2mA1 VAL 127 H -0.70 0.23 -0.08 -0.55 8.24 7.14 2j2mA1 VAL 127 HA -0.43 0.16 0.80 -0.75 4.13 3.92 2j2mA1 VAL 127 HB -0.42 -0.05 0.04 -0.04 2.12 1.65 2j2mA1 VAL 127 HG13 -0.30 0.01 -0.15 -0.04 0.97 0.49 2j2mA1 VAL 127 HG23 -0.31 -0.00 -0.57 -0.04 0.95 0.02 2j2mA1 GLY 128 H -0.31 0.64 0.10 -0.55 8.43 8.31 2j2mA1 GLY 128 HA2 -0.29 0.18 0.88 -0.51 4.01 4.27 2j2mA1 GLY 128 HA3 -0.32 0.14 0.35 -0.51 4.01 3.67 2j2mA1 ASN 129 H -0.00 0.42 0.20 -0.55 8.53 8.60 2j2mA1 ASN 129 HA 0.18 0.23 0.79 -0.75 4.76 5.20 2j2mA1 ASN 129 HB2 0.08 0.11 -0.00 -0.04 2.88 3.03 2j2mA1 ASN 129 HB3 0.14 -0.19 0.05 -0.04 2.79 2.75 2j2mA1 ASN 129 HD21 0.45 -0.03 -0.15 -0.04 7.03 7.26 2j2mA1 ASN 129 HD22 0.36 0.04 -0.09 -0.04 7.74 8.01 2j2mA1 ASN 130 H 0.19 0.37 0.26 -0.55 8.53 8.81 2j2mA1 ASN 130 HA 0.19 0.17 0.37 -0.75 4.76 4.73 2j2mA1 ASN 130 HB2 0.17 -0.15 0.06 -0.04 2.88 2.92 2j2mA1 ASN 130 HB3 0.24 0.17 0.16 -0.04 2.79 3.31 2j2mA1 ASN 130 HD21 0.11 0.21 0.09 -0.04 7.03 7.40 2j2mA1 ASN 130 HD22 0.13 -0.07 0.06 -0.04 7.74 7.82 2j2mA1 LEU 131 H 0.08 -0.03 -0.06 -0.55 8.37 7.82 2j2mA1 LEU 131 HA 0.02 0.09 0.31 -0.75 4.35 4.02 2j2mA1 LEU 131 HB2 -0.03 0.02 0.06 -0.04 1.64 1.64 2j2mA1 LEU 131 HB3 -0.12 -0.02 -0.01 -0.04 1.64 1.45 2j2mA1 LEU 131 HG 0.05 -0.09 0.06 -0.04 1.64 1.62 2j2mA1 LEU 131 HD13 -0.03 0.01 -0.14 -0.04 0.93 0.72 2j2mA1 LEU 131 HD23 0.08 0.04 -0.20 -0.04 0.89 0.77 2j2mA1 PRO 132 HA -0.10 0.08 0.28 -0.51 4.44 4.19 2j2mA1 PRO 132 HB2 -0.10 -0.04 0.04 -0.04 2.28 2.15 2j2mA1 PRO 132 HB3 -0.01 0.06 0.08 -0.04 2.02 2.10 2j2mA1 PRO 132 HG2 -0.27 0.01 -0.07 -0.04 2.03 1.65 2j2mA1 PRO 132 HG3 0.06 0.01 0.02 -0.04 2.03 2.07 2j2mA1 PRO 132 HD2 -0.34 0.05 0.11 -0.04 3.68 3.45 2j2mA1 PRO 132 HD3 0.01 0.17 0.18 -0.04 3.65 3.97 2j2mA1 VAL 133 H -0.29 0.06 -0.33 -0.55 8.24 7.14 2j2mA1 VAL 133 HA -0.15 0.33 0.73 -0.75 4.13 4.29 2j2mA1 VAL 133 HB -0.13 0.03 -0.13 -0.04 2.12 1.86 2j2mA1 VAL 133 HG13 -0.20 0.02 -0.62 -0.04 0.97 0.13 2j2mA1 VAL 133 HG23 -0.38 -0.04 -0.33 -0.04 0.95 0.15 2j2mA1 PHE 134 H 0.02 0.63 0.26 -0.55 8.34 8.70 2j2mA1 PHE 134 HA -0.20 0.18 0.73 -0.75 4.62 4.57 2j2mA1 PHE 134 HB2 -0.09 0.08 -0.10 -0.04 3.15 3.00 2j2mA1 PHE 134 HB3 0.03 0.03 -0.06 -0.04 3.06 3.01 2j2mA1 PHE 134 HD2 0.10 0.05 -0.01 -0.04 7.28 7.37 2j2mA1 PHE 134 HE2 0.35 0.01 -0.06 -0.04 7.38 7.64 2j2mA1 PHE 134 HZ 0.49 0.04 -0.06 -0.04 7.32 7.74 2j2mA1 PHE 135 H -0.81 0.16 0.08 -0.55 8.34 7.22 2j2mA1 PHE 135 HA -0.11 0.09 0.42 -0.75 4.62 4.26 2j2mA1 PHE 135 HB2 -0.22 -0.03 -0.01 -0.04 3.15 2.85 2j2mA1 PHE 135 HB3 -0.07 0.03 0.05 -0.04 3.06 3.03 2j2mA1 PHE 135 HD2 -0.74 -0.01 0.01 -0.04 7.28 6.50 2j2mA1 PHE 135 HE2 -0.32 0.03 -0.07 -0.04 7.38 6.98 2j2mA1 PHE 135 HZ -0.27 0.04 -0.07 -0.04 7.32 6.99 2j2mA1 ILE 136 H 0.39 0.13 -0.26 -0.55 8.25 7.96 2j2mA1 ILE 136 HA 0.17 0.20 0.69 -0.75 4.18 4.48 2j2mA1 ILE 136 HB 0.24 -0.14 0.04 -0.04 1.89 1.98 2j2mA1 ILE 136 HG12 0.53 -0.00 -0.11 -0.04 1.49 1.86 2j2mA1 ILE 136 HG13 0.48 -0.03 -0.26 -0.04 1.21 1.36 2j2mA1 ILE 136 HG23 0.32 0.03 -0.24 -0.04 0.93 0.99 2j2mA1 ILE 136 HD13 0.38 0.07 -0.21 -0.04 0.88 1.08 2j2mA1 ARG 137 H 0.13 0.14 0.11 -0.55 8.46 8.28 2j2mA1 ARG 137 HA 0.12 0.23 1.00 -0.75 4.34 4.93 2j2mA1 ARG 137 HB2 0.06 -0.09 0.23 -0.04 1.90 2.06 2j2mA1 ARG 137 HB3 0.07 0.06 -0.13 -0.04 1.80 1.75 2j2mA1 ARG 137 HG2 0.05 0.02 0.00 -0.04 1.67 1.71 2j2mA1 ARG 137 HG3 0.05 -0.01 -0.14 -0.04 1.67 1.54 2j2mA1 ARG 137 HD2 0.03 -0.03 0.01 -0.04 3.22 3.19 2j2mA1 ARG 137 HD3 0.03 0.01 0.01 -0.04 3.22 3.23 2j2mA1 ASP 138 H 0.13 0.20 0.04 -0.55 8.40 8.22 2j2mA1 ASP 138 HA 0.05 0.18 0.35 -0.75 4.63 4.45 2j2mA1 ASP 138 HB2 0.05 0.06 -0.15 -0.04 2.71 2.63 2j2mA1 ASP 138 HB3 0.07 -0.02 0.03 -0.04 2.70 2.75 2j2mA1 ALA 139 H 0.03 0.52 0.19 -0.55 8.40 8.60 2j2mA1 ALA 139 HA 0.09 0.07 0.37 -0.75 4.34 4.11 2j2mA1 ALA 139 HB3 0.02 0.06 0.19 -0.04 1.41 1.64 2j2mA1 MET 140 H 0.06 0.04 -0.31 -0.55 8.47 7.72 2j2mA1 MET 140 HA 0.06 0.11 0.35 -0.75 4.52 4.29 2j2mA1 MET 140 HB2 0.04 -0.01 0.07 -0.04 2.15 2.21 2j2mA1 MET 140 HB3 0.06 -0.03 -0.04 -0.04 2.03 1.98 2j2mA1 MET 140 HG2 0.04 0.00 -0.02 -0.04 2.63 2.61 2j2mA1 MET 140 HG3 0.05 0.03 -0.07 -0.04 2.56 2.53 2j2mA1 MET 140 HE3 0.02 -0.00 0.01 -0.04 2.10 2.08 2j2mA1 LYS 141 H 0.13 0.35 -0.39 -0.55 8.42 7.96 2j2mA1 LYS 141 HA 0.12 0.20 0.69 -0.75 4.32 4.57 2j2mA1 LYS 141 HB2 0.22 0.01 0.02 -0.04 1.87 2.09 2j2mA1 LYS 141 HB3 0.35 0.01 0.09 -0.04 1.79 2.19 2j2mA1 LYS 141 HG2 0.12 -0.09 -0.05 -0.04 1.46 1.40 2j2mA1 LYS 141 HG3 0.14 0.01 -0.00 -0.04 1.46 1.57 2j2mA1 LYS 141 HD2 0.10 0.02 -0.30 -0.04 1.69 1.48 2j2mA1 LYS 141 HD3 0.08 0.02 -0.07 -0.04 1.68 1.67 2j2mA1 LYS 141 HE2 0.19 0.04 -0.01 -0.04 2.99 3.17 2j2mA1 LYS 141 HE3 0.28 -0.06 0.06 -0.04 2.99 3.23 2j2mA1 PHE 142 H 0.22 0.49 -0.19 -0.55 8.34 8.30 2j2mA1 PHE 142 HA 0.02 -0.03 0.19 -0.75 4.62 4.05 2j2mA1 PHE 142 HB2 0.06 -0.08 0.09 -0.04 3.15 3.18 2j2mA1 PHE 142 HB3 0.00 0.15 0.11 -0.04 3.06 3.28 2j2mA1 PHE 142 HD2 0.12 -0.01 -0.11 -0.04 7.28 7.24 2j2mA1 PHE 142 HE2 0.19 0.03 -0.09 -0.04 7.38 7.46 2j2mA1 PHE 142 HZ 0.10 0.05 -0.09 -0.04 7.32 7.33 2j2mA1 PRO 143 HA -0.38 0.10 0.50 -0.51 4.44 4.14 2j2mA1 PRO 143 HB2 -0.22 0.02 0.02 -0.04 2.28 2.06 2j2mA1 PRO 143 HB3 -0.29 0.07 0.06 -0.04 2.02 1.81 2j2mA1 PRO 143 HG2 -0.01 0.07 0.03 -0.04 2.03 2.08 2j2mA1 PRO 143 HG3 0.03 0.05 0.03 -0.04 2.03 2.10 2j2mA1 PRO 143 HD2 0.03 0.17 -0.14 -0.04 3.68 3.70 2j2mA1 PRO 143 HD3 0.18 0.15 0.11 -0.04 3.65 4.05 2j2mA1 ASP 144 H -0.18 0.17 -0.30 -0.55 8.40 7.55 2j2mA1 ASP 144 HA -0.23 0.05 0.37 -0.75 4.63 4.06 2j2mA1 ASP 144 HB2 -0.02 0.15 0.13 -0.04 2.71 2.93 2j2mA1 ASP 144 HB3 0.04 -0.01 -0.00 -0.04 2.70 2.69 2j2mA1 MET 145 H -0.53 0.51 -0.06 -0.55 8.47 7.85 2j2mA1 MET 145 HA -1.69 0.02 0.33 -0.75 4.52 2.43 2j2mA1 MET 145 HB2 -0.47 -0.01 0.02 -0.04 2.15 1.65 2j2mA1 MET 145 HB3 -0.46 0.06 0.10 -0.04 2.03 1.69 2j2mA1 MET 145 HG2 -0.66 0.03 -0.18 -0.04 2.63 1.78 2j2mA1 MET 145 HG3 -0.38 -0.01 -0.06 -0.04 2.56 2.07 2j2mA1 MET 145 HE3 -0.22 0.03 -0.11 -0.04 2.10 1.76 2j2mA1 VAL 146 H -0.62 0.59 -0.07 -0.55 8.24 7.59 2j2mA1 VAL 146 HA -0.38 -0.02 0.40 -0.75 4.13 3.37 2j2mA1 VAL 146 HB -0.48 0.10 0.15 -0.04 2.12 1.84 2j2mA1 VAL 146 HG13 -0.14 0.01 -0.14 -0.04 0.97 0.66 2j2mA1 VAL 146 HG23 -0.93 -0.02 -0.01 -0.04 0.95 -0.05 2j2mA1 HIS 147 H -0.24 0.68 -0.07 -0.55 8.41 8.23 2j2mA1 HIS 147 HA -0.14 0.04 0.42 -0.75 4.63 4.19 2j2mA1 HIS 147 HB2 -0.16 0.04 0.15 -0.04 3.26 3.26 2j2mA1 HIS 147 HB3 -0.09 -0.06 -0.00 -0.04 3.20 3.00 2j2mA1 HIS 147 HD2 -0.13 -0.04 -0.06 -0.04 6.97 6.69 2j2mA1 HIS 147 HE1 -0.04 -0.04 -0.03 -0.04 7.75 7.60 2j2mA1 SER 148 H -0.23 0.52 -0.26 -0.55 8.46 7.94 2j2mA1 SER 148 HA -0.02 0.00 0.42 -0.75 4.49 4.14 2j2mA1 SER 148 HB2 0.04 -0.05 0.01 -0.04 3.95 3.91 2j2mA1 SER 148 HB3 -0.22 0.10 0.13 -0.04 3.93 3.90 2j2mA1 LEU 149 H -0.21 0.33 -0.21 -0.55 8.37 7.73 2j2mA1 LEU 149 HA -0.00 -0.04 0.56 -0.75 4.35 4.12 2j2mA1 LEU 149 HB2 -0.31 0.09 0.14 -0.04 1.64 1.52 2j2mA1 LEU 149 HB3 -0.29 -0.08 -0.01 -0.04 1.64 1.22 2j2mA1 LEU 149 HG -0.45 0.00 -0.05 -0.04 1.64 1.10 2j2mA1 LEU 149 HD13 -0.68 -0.03 -0.11 -0.04 0.93 0.06 2j2mA1 LEU 149 HD23 -0.76 -0.02 -0.02 -0.04 0.89 0.05 2j2mA1 LYS 150 H -0.13 0.56 -0.02 -0.55 8.42 8.28 2j2mA1 LYS 150 HA -0.20 -0.03 0.35 -0.75 4.32 3.70 2j2mA1 LYS 150 HB2 -0.09 0.06 0.09 -0.04 1.87 1.88 2j2mA1 LYS 150 HB3 -0.11 0.02 -0.00 -0.04 1.79 1.66 2j2mA1 LYS 150 HG2 -0.13 -0.01 0.05 -0.04 1.46 1.33 2j2mA1 LYS 150 HG3 -0.06 -0.10 -0.08 -0.04 1.46 1.18 2j2mA1 LYS 150 HD2 -0.10 -0.05 0.05 -0.04 1.69 1.55 2j2mA1 LYS 150 HD3 -0.17 -0.01 0.08 -0.04 1.68 1.54 2j2mA1 LYS 150 HE2 -0.10 -0.16 0.10 -0.04 2.99 2.79 2j2mA1 LYS 150 HE3 -0.05 -0.07 0.05 -0.04 2.99 2.87 2j2mA1 PRO 151 HA 0.02 -0.09 -0.12 -0.51 4.44 3.75 2j2mA1 PRO 151 HB2 -0.03 0.04 -0.18 -0.04 2.28 2.07 2j2mA1 PRO 151 HB3 0.02 -0.07 -0.68 -0.04 2.02 1.26 2j2mA1 PRO 151 HG2 -0.02 0.06 -0.03 -0.04 2.03 2.00 2j2mA1 PRO 151 HG3 0.02 -0.05 -0.05 -0.04 2.03 1.91 2j2mA1 PRO 151 HD2 -0.16 0.14 0.12 -0.04 3.68 3.74 2j2mA1 PRO 151 HD3 -0.41 0.09 0.07 -0.04 3.65 3.36 2j2mA1 ASP 152 H 0.02 0.48 0.15 -0.55 8.40 8.50 2j2mA1 ASP 152 HA -0.01 0.19 0.57 -0.75 4.63 4.62 2j2mA1 ASP 152 HB2 0.02 0.11 0.25 -0.04 2.71 3.04 2j2mA1 ASP 152 HB3 0.01 -0.17 0.24 -0.04 2.70 2.75 2j2mA1 PRO 153 HA -0.05 0.16 0.27 -0.51 4.44 4.32 2j2mA1 PRO 153 HB2 -0.05 0.00 0.02 -0.04 2.28 2.21 2j2mA1 PRO 153 HB3 -0.09 0.08 0.11 -0.04 2.02 2.08 2j2mA1 PRO 153 HG2 -0.03 -0.04 0.04 -0.04 2.03 1.96 2j2mA1 PRO 153 HG3 -0.06 0.06 0.08 -0.04 2.03 2.07 2j2mA1 PRO 153 HD2 -0.02 -0.01 0.25 -0.04 3.68 3.85 2j2mA1 PRO 153 HD3 -0.05 0.35 0.25 -0.04 3.65 4.16 2j2mA1 ARG 154 H -0.01 -0.05 -0.39 -0.55 8.46 7.45 2j2mA1 ARG 154 HA -0.01 0.21 0.80 -0.75 4.34 4.59 2j2mA1 ARG 154 HB2 -0.01 -0.00 0.01 -0.04 1.90 1.86 2j2mA1 ARG 154 HB3 0.00 -0.07 0.07 -0.04 1.80 1.76 2j2mA1 ARG 154 HG2 0.00 0.00 -0.13 -0.04 1.67 1.51 2j2mA1 ARG 154 HG3 -0.00 0.04 0.04 -0.04 1.67 1.71 2j2mA1 ARG 154 HD2 0.00 0.01 -0.01 -0.04 3.22 3.18 2j2mA1 ARG 154 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2j2mA1 THR 155 H 0.00 -0.03 -0.02 -0.55 8.28 7.68 2j2mA1 THR 155 HA 0.01 0.17 0.54 -0.75 4.39 4.35 2j2mA1 THR 155 HB 0.02 0.04 0.09 -0.04 4.32 4.43 2j2mA1 THR 155 HG23 0.01 -0.01 0.02 -0.04 1.22 1.20 2j2mA1 ASN 156 H 0.00 0.52 -0.16 -0.55 8.53 8.34 2j2mA1 ASN 156 HA 0.00 0.10 0.15 -0.75 4.76 4.26 2j2mA1 ASN 156 HB2 0.00 0.01 -0.24 -0.04 2.88 2.61 2j2mA1 ASN 156 HB3 0.01 0.09 0.26 -0.04 2.79 3.12 2j2mA1 ASN 156 HD21 0.02 -0.03 0.04 -0.04 7.03 7.01 2j2mA1 ASN 156 HD22 0.01 0.00 0.05 -0.04 7.74 7.77 2j2mA1 ILE 157 H 0.03 0.11 -0.10 -0.55 8.25 7.74 2j2mA1 ILE 157 HA 0.08 0.18 0.88 -0.75 4.18 4.57 2j2mA1 ILE 157 HB 0.04 -0.10 -0.03 -0.04 1.89 1.76 2j2mA1 ILE 157 HG12 0.04 0.10 -0.07 -0.04 1.49 1.51 2j2mA1 ILE 157 HG13 0.03 0.18 -0.41 -0.04 1.21 0.97 2j2mA1 ILE 157 HG23 0.06 0.05 -0.03 -0.04 0.93 0.96 2j2mA1 ILE 157 HD13 0.02 -0.02 -0.01 -0.04 0.88 0.83 2j2mA1 GLN 158 H 0.18 0.15 0.15 -0.55 8.47 8.40 2j2mA1 GLN 158 HA 0.09 0.12 0.40 -0.75 4.36 4.22 2j2mA1 GLN 158 HB2 0.28 0.00 0.10 -0.04 2.15 2.48 2j2mA1 GLN 158 HB3 0.24 -0.05 0.09 -0.04 2.02 2.27 2j2mA1 GLN 158 HG2 0.39 -0.12 -0.22 -0.04 2.40 2.41 2j2mA1 GLN 158 HG3 0.17 0.43 -0.01 -0.04 2.39 2.94 2j2mA1 GLN 158 HE21 -0.05 -0.09 0.02 -0.04 6.97 6.82 2j2mA1 GLN 158 HE22 -0.06 0.57 0.10 -0.04 7.69 8.26 2j2mA1 ASP 159 H 0.09 0.33 0.17 -0.55 8.40 8.44 2j2mA1 ASP 159 HA 0.03 0.27 0.99 -0.75 4.63 5.17 2j2mA1 ASP 159 HB2 0.03 0.12 -0.06 -0.04 2.71 2.75 2j2mA1 ASP 159 HB3 0.02 -0.01 0.22 -0.04 2.70 2.88 2j2mA1 PRO 160 HA -1.86 0.03 0.47 -0.51 4.44 2.58 2j2mA1 PRO 160 HB2 0.04 0.07 -0.10 -0.04 2.28 2.25 2j2mA1 PRO 160 HB3 0.16 0.05 0.06 -0.04 2.02 2.25 2j2mA1 PRO 160 HG2 0.12 0.12 0.09 -0.04 2.03 2.33 2j2mA1 PRO 160 HG3 0.18 0.04 0.05 -0.04 2.03 2.26 2j2mA1 PRO 160 HD2 0.01 0.15 0.22 -0.04 3.68 4.02 2j2mA1 PRO 160 HD3 0.07 0.28 0.14 -0.04 3.65 4.09 2j2mA1 ASP 161 H -0.04 0.23 -0.22 -0.55 8.40 7.83 2j2mA1 ASP 161 HA 0.07 -0.01 0.50 -0.75 4.63 4.43 2j2mA1 ASP 161 HB2 0.05 0.18 0.22 -0.04 2.71 3.11 2j2mA1 ASP 161 HB3 0.04 0.05 0.06 -0.04 2.70 2.81 2j2mA1 ARG 162 H -0.06 0.38 -0.30 -0.55 8.46 7.92 2j2mA1 ARG 162 HA 0.02 0.03 0.59 -0.75 4.34 4.22 2j2mA1 ARG 162 HB2 0.02 0.28 0.28 -0.04 1.90 2.43 2j2mA1 ARG 162 HB3 0.02 0.01 0.13 -0.04 1.80 1.93 2j2mA1 ARG 162 HG2 0.01 -0.06 0.03 -0.04 1.67 1.61 2j2mA1 ARG 162 HG3 0.01 -0.11 0.10 -0.04 1.67 1.62 2j2mA1 ARG 162 HD2 0.01 -0.10 0.11 -0.04 3.22 3.20 2j2mA1 ARG 162 HD3 0.01 0.11 0.15 -0.04 3.22 3.45 2j2mA1 TYR 163 H -0.13 0.27 0.12 -0.55 8.29 8.00 2j2mA1 TYR 163 HA -0.01 0.05 0.56 -0.75 4.56 4.41 2j2mA1 TYR 163 HB2 -0.21 -0.08 -0.05 -0.04 3.06 2.68 2j2mA1 TYR 163 HB3 -0.12 0.31 -0.20 -0.04 2.98 2.94 2j2mA1 TYR 163 HD2 -0.33 0.08 -0.14 -0.04 7.15 6.72 2j2mA1 TYR 163 HE2 -0.01 0.00 -0.10 -0.04 6.85 6.70 2j2mA1 TRP 164 H 0.01 0.61 -0.00 -0.55 7.97 8.04 2j2mA1 TRP 164 HA 0.20 0.02 0.54 -0.75 4.62 4.62 2j2mA1 TRP 164 HB2 -0.05 0.23 0.08 -0.04 3.23 3.45 2j2mA1 TRP 164 HB3 0.04 -0.05 -0.06 -0.04 3.23 3.11 2j2mA1 TRP 164 HD1 -0.17 0.01 -0.04 -0.04 7.22 6.98 2j2mA1 TRP 164 HE1 0.22 0.01 -0.11 -0.04 10.20 10.27 2j2mA1 TRP 164 HE3 0.12 -0.06 0.02 -0.04 7.59 7.63 2j2mA1 TRP 164 HZ2 -0.60 0.03 -0.05 -0.04 7.44 6.77 2j2mA1 TRP 164 HZ3 0.16 -0.00 -0.06 -0.04 7.13 7.19 2j2mA1 TRP 164 HH2 0.39 0.00 -0.07 -0.04 7.19 7.48 2j2mA1 ASP 165 H 0.17 0.30 -0.47 -0.55 8.40 7.86 2j2mA1 ASP 165 HA 0.09 -0.03 0.46 -0.75 4.63 4.39 2j2mA1 ASP 165 HB2 0.03 0.19 0.22 -0.04 2.71 3.10 2j2mA1 ASP 165 HB3 0.08 0.19 0.21 -0.04 2.70 3.13 2j2mA1 PHE 166 H 0.21 0.44 -0.01 -0.55 8.34 8.44 2j2mA1 PHE 166 HA 0.01 -0.00 0.38 -0.75 4.62 4.25 2j2mA1 PHE 166 HB2 -0.02 0.03 0.10 -0.04 3.15 3.22 2j2mA1 PHE 166 HB3 -0.03 0.11 0.14 -0.04 3.06 3.24 2j2mA1 PHE 166 HD2 -0.06 0.04 -0.17 -0.04 7.28 7.04 2j2mA1 PHE 166 HE2 -0.04 -0.03 -0.09 -0.04 7.38 7.17 2j2mA1 PHE 166 HZ -0.01 -0.08 -0.05 -0.04 7.32 7.14 2j2mA1 MET 167 H 0.18 0.63 -0.22 -0.55 8.47 8.52 2j2mA1 MET 167 HA -0.01 0.01 0.27 -0.75 4.52 4.04 2j2mA1 MET 167 HB2 0.01 0.03 0.10 -0.04 2.15 2.24 2j2mA1 MET 167 HB3 -0.00 -0.05 -0.08 -0.04 2.03 1.86 2j2mA1 MET 167 HG2 0.03 0.30 0.04 -0.04 2.63 2.96 2j2mA1 MET 167 HG3 -0.23 -0.05 -0.09 -0.04 2.56 2.15 2j2mA1 MET 167 HE3 -0.82 -0.00 -0.06 -0.04 2.10 1.18 2j2mA1 THR 168 H 0.17 0.64 -0.13 -0.55 8.28 8.42 2j2mA1 THR 168 HA 0.12 -0.00 0.33 -0.75 4.39 4.08 2j2mA1 THR 168 HB 0.07 -0.10 -0.05 -0.04 4.32 4.20 2j2mA1 THR 168 HG23 0.29 0.06 0.03 -0.04 1.22 1.56 2j2mA1 LEU 169 H -0.06 0.42 -0.37 -0.55 8.37 7.82 2j2mA1 LEU 169 HA -0.04 0.04 0.50 -0.75 4.35 4.10 2j2mA1 LEU 169 HB2 -0.14 0.15 0.06 -0.04 1.64 1.67 2j2mA1 LEU 169 HB3 -0.09 -0.09 0.09 -0.04 1.64 1.50 2j2mA1 LEU 169 HG -0.01 0.06 -0.00 -0.04 1.64 1.64 2j2mA1 LEU 169 HD13 -0.02 -0.03 -0.06 -0.04 0.93 0.78 2j2mA1 LEU 169 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 2j2mA1 ARG 170 H -0.22 0.33 -0.49 -0.55 8.46 7.53 2j2mA1 ARG 170 HA -0.16 0.07 0.75 -0.75 4.34 4.25 2j2mA1 ARG 170 HB2 -0.66 0.17 0.13 -0.04 1.90 1.50 2j2mA1 ARG 170 HB3 -0.20 -0.15 0.18 -0.04 1.80 1.59 2j2mA1 ARG 170 HG2 -0.46 0.10 -0.17 -0.04 1.67 1.09 2j2mA1 ARG 170 HG3 -1.01 -0.05 -0.03 -0.04 1.67 0.54 2j2mA1 ARG 170 HD2 -0.03 -0.11 0.02 -0.04 3.22 3.05 2j2mA1 ARG 170 HD3 -0.10 -0.07 0.08 -0.04 3.22 3.08 2j2mA1 PRO 171 HA -0.02 0.18 0.26 -0.51 4.44 4.36 2j2mA1 PRO 171 HB2 -0.13 -0.08 0.01 -0.04 2.28 2.04 2j2mA1 PRO 171 HB3 0.17 0.14 0.11 -0.04 2.02 2.40 2j2mA1 PRO 171 HG2 -0.03 -0.08 0.02 -0.04 2.03 1.90 2j2mA1 PRO 171 HG3 0.08 0.08 0.03 -0.04 2.03 2.18 2j2mA1 PRO 171 HD2 -0.06 0.02 0.05 -0.04 3.68 3.66 2j2mA1 PRO 171 HD3 -0.04 0.27 -0.45 -0.04 3.65 3.40 2j2mA1 GLU 172 H -0.10 0.09 -0.31 -0.55 8.60 7.74 2j2mA1 GLU 172 HA -0.18 0.05 0.65 -0.75 4.29 4.06 2j2mA1 GLU 172 HB2 -0.03 -0.01 0.08 -0.04 2.09 2.09 2j2mA1 GLU 172 HB3 -0.06 -0.06 0.08 -0.04 1.99 1.91 2j2mA1 GLU 172 HG2 0.03 0.41 -0.09 -0.04 2.34 2.65 2j2mA1 GLU 172 HG3 0.04 -0.23 -0.02 -0.04 2.34 2.09 2j2mA1 SER 173 H -0.02 0.54 -0.16 -0.55 8.46 8.27 2j2mA1 SER 173 HA 0.06 0.12 0.62 -0.75 4.49 4.54 2j2mA1 SER 173 HB2 0.22 -0.17 0.15 -0.04 3.95 4.10 2j2mA1 SER 173 HB3 0.11 0.09 0.21 -0.04 3.93 4.29 2j2mA1 THR 174 H -0.06 0.46 -0.41 -0.55 8.28 7.73 2j2mA1 THR 174 HA -0.05 0.01 0.27 -0.75 4.39 3.86 2j2mA1 THR 174 HB -0.02 0.11 0.21 -0.04 4.32 4.57 2j2mA1 THR 174 HG23 -0.03 -0.01 -0.14 -0.04 1.22 0.99 2j2mA1 ASN 175 H 0.02 0.29 -0.03 -0.55 8.53 8.26 2j2mA1 ASN 175 HA 0.16 -0.02 0.41 -0.75 4.76 4.55 2j2mA1 ASN 175 HB2 0.03 -0.01 0.13 -0.04 2.88 3.00 2j2mA1 ASN 175 HB3 0.03 0.15 0.04 -0.04 2.79 2.96 2j2mA1 ASN 175 HD21 0.03 -0.17 -0.09 -0.04 7.03 6.76 2j2mA1 ASN 175 HD22 -0.03 0.80 0.15 -0.04 7.74 8.62 2j2mA1 MET 176 H -0.02 0.25 -0.33 -0.55 8.47 7.82 2j2mA1 MET 176 HA -0.08 0.01 0.33 -0.75 4.52 4.02 2j2mA1 MET 176 HB2 -0.36 0.15 -0.48 -0.04 2.15 1.42 2j2mA1 MET 176 HB3 -0.41 0.13 -0.06 -0.04 2.03 1.66 2j2mA1 MET 176 HG2 -1.97 -0.15 -0.22 -0.04 2.63 0.24 2j2mA1 MET 176 HG3 -1.61 0.01 -0.25 -0.04 2.56 0.67 2j2mA1 MET 176 HE3 -0.48 -0.03 -0.01 -0.04 2.10 1.54 2j2mA1 LEU 177 H 0.09 0.65 -0.09 -0.55 8.37 8.48 2j2mA1 LEU 177 HA 0.33 -0.03 0.39 -0.75 4.35 4.28 2j2mA1 LEU 177 HB2 0.27 0.20 0.16 -0.04 1.64 2.24 2j2mA1 LEU 177 HB3 0.80 -0.04 -0.07 -0.04 1.64 2.30 2j2mA1 LEU 177 HG 0.40 -0.03 -0.05 -0.04 1.64 1.92 2j2mA1 LEU 177 HD13 0.17 -0.01 -0.07 -0.04 0.93 0.98 2j2mA1 LEU 177 HD23 0.08 0.00 -0.20 -0.04 0.89 0.73 2j2mA1 MET 178 H 0.30 0.50 -0.26 -0.55 8.47 8.46 2j2mA1 MET 178 HA 0.28 -0.01 0.29 -0.75 4.52 4.32 2j2mA1 MET 178 HB2 0.10 0.25 0.10 -0.04 2.15 2.56 2j2mA1 MET 178 HB3 0.06 -0.06 -0.07 -0.04 2.03 1.91 2j2mA1 MET 178 HG2 0.36 0.12 -0.05 -0.04 2.63 3.01 2j2mA1 MET 178 HG3 0.21 -0.00 -0.01 -0.04 2.56 2.72 2j2mA1 MET 178 HE3 0.31 0.00 -0.15 -0.04 2.10 2.22 2j2mA1 HIS 179 H 0.26 0.36 -0.36 -0.55 8.41 8.13 2j2mA1 HIS 179 HA 0.07 0.04 0.54 -0.75 4.63 4.53 2j2mA1 HIS 179 HB2 -0.05 0.12 0.10 -0.04 3.26 3.39 2j2mA1 HIS 179 HB3 0.01 -0.06 -0.07 -0.04 3.20 3.04 2j2mA1 HIS 179 HD2 0.05 -0.02 -0.04 -0.04 6.97 6.92 2j2mA1 HIS 179 HE1 0.05 -0.06 -0.14 -0.04 7.75 7.56 2j2mA1 ILE 180 H 0.09 0.61 -0.01 -0.55 8.25 8.40 2j2mA1 ILE 180 HA -0.04 0.04 0.17 -0.75 4.18 3.59 2j2mA1 ILE 180 HB -0.16 0.14 -0.00 -0.04 1.89 1.83 2j2mA1 ILE 180 HG12 -0.09 -0.00 -0.11 -0.04 1.49 1.25 2j2mA1 ILE 180 HG13 -0.13 -0.05 -0.09 -0.04 1.21 0.90 2j2mA1 ILE 180 HG23 -0.42 0.00 -0.17 -0.04 0.93 0.30 2j2mA1 ILE 180 HD13 -0.16 -0.02 -0.14 -0.04 0.88 0.52 2j2mA1 PHE 181 H 0.24 0.39 -0.26 -0.55 8.34 8.16 2j2mA1 PHE 181 HA 0.11 0.19 0.79 -0.75 4.62 4.95 2j2mA1 PHE 181 HB2 0.16 0.14 0.03 -0.04 3.15 3.43 2j2mA1 PHE 181 HB3 0.13 -0.08 0.10 -0.04 3.06 3.17 2j2mA1 PHE 181 HD2 0.23 0.06 -0.06 -0.04 7.28 7.47 2j2mA1 PHE 181 HE2 0.15 -0.02 -0.07 -0.04 7.38 7.39 2j2mA1 PHE 181 HZ 0.29 -0.03 -0.08 -0.04 7.32 7.46 2j2mA1 THR 182 H 0.13 0.25 -0.48 -0.55 8.28 7.63 2j2mA1 THR 182 HA 0.10 0.09 0.63 -0.75 4.39 4.45 2j2mA1 THR 182 HB 0.05 -0.19 0.18 -0.04 4.32 4.32 2j2mA1 THR 182 HG23 0.05 0.09 0.08 -0.04 1.22 1.40 2j2mA1 ASP 183 H 0.06 0.09 0.06 -0.55 8.40 8.06 2j2mA1 ASP 183 HA 0.06 0.21 0.56 -0.75 4.63 4.71 2j2mA1 ASP 183 HB2 0.04 -0.05 -0.02 -0.04 2.71 2.65 2j2mA1 ASP 183 HB3 0.05 0.10 -0.14 -0.04 2.70 2.67 2j2mA1 GLU 184 H 0.06 0.03 -0.34 -0.55 8.60 7.80 2j2mA1 GLU 184 HA 0.06 0.07 0.31 -0.75 4.29 3.98 2j2mA1 GLU 184 HB2 0.07 -0.09 0.02 -0.04 2.09 2.04 2j2mA1 GLU 184 HB3 0.09 0.14 -0.08 -0.04 1.99 2.10 2j2mA1 GLU 184 HG2 0.09 0.04 0.05 -0.04 2.34 2.48 2j2mA1 GLU 184 HG3 0.08 -0.02 -0.00 -0.04 2.34 2.36 2j2mA1 GLY 185 H 0.04 0.28 -0.69 -0.55 8.43 7.52 2j2mA1 GLY 185 HA2 0.01 -0.02 0.51 -0.51 4.01 4.00 2j2mA1 GLY 185 HA3 -0.02 0.29 0.30 -0.51 4.01 4.07 2j2mA1 ILE 186 H 0.05 0.45 -0.33 -0.55 8.25 7.86 2j2mA1 ILE 186 HA 0.06 0.31 0.75 -0.75 4.18 4.54 2j2mA1 ILE 186 HB 0.04 -0.00 0.16 -0.04 1.89 2.05 2j2mA1 ILE 186 HG12 0.04 0.08 -0.47 -0.04 1.49 1.11 2j2mA1 ILE 186 HG13 0.04 -0.12 -0.52 -0.04 1.21 0.56 2j2mA1 ILE 186 HG23 0.05 0.02 -0.15 -0.04 0.93 0.82 2j2mA1 ILE 186 HD13 0.05 -0.02 -0.12 -0.04 0.88 0.74 2j2mA1 PRO 187 HA 0.08 0.06 0.66 -0.51 4.44 4.73 2j2mA1 PRO 187 HB2 0.06 -0.07 -0.17 -0.04 2.28 2.06 2j2mA1 PRO 187 HB3 0.09 0.09 0.02 -0.04 2.02 2.18 2j2mA1 PRO 187 HG2 0.13 -0.01 -0.00 -0.04 2.03 2.10 2j2mA1 PRO 187 HG3 0.10 0.03 0.04 -0.04 2.03 2.16 2j2mA1 PRO 187 HD2 0.08 0.14 0.02 -0.04 3.68 3.88 2j2mA1 PRO 187 HD3 0.08 0.27 -0.36 -0.04 3.65 3.59 2j2mA1 ALA 188 H 0.08 0.79 0.38 -0.55 8.40 9.10 2j2mA1 ALA 188 HA 0.09 0.07 0.38 -0.75 4.34 4.12 2j2mA1 ALA 188 HB3 0.05 -0.01 -0.13 -0.04 1.41 1.28 2j2mA1 SER 189 H 0.03 0.28 0.01 -0.55 8.46 8.22 2j2mA1 SER 189 HA -0.28 0.12 -0.17 -0.75 4.49 3.41 2j2mA1 SER 189 HB2 -0.22 -0.10 0.20 -0.04 3.95 3.79 2j2mA1 SER 189 HB3 -0.11 0.29 0.33 -0.04 3.93 4.40 2j2mA1 TYR 190 H -0.43 0.15 0.03 -0.55 8.29 7.49 2j2mA1 TYR 190 HA -0.15 0.16 0.38 -0.75 4.56 4.19 2j2mA1 TYR 190 HB2 -0.16 -0.02 0.01 -0.04 3.06 2.85 2j2mA1 TYR 190 HB3 -0.44 0.08 -0.04 -0.04 2.98 2.54 2j2mA1 TYR 190 HD2 -0.07 0.06 -0.17 -0.04 7.15 6.93 2j2mA1 TYR 190 HE2 0.08 0.04 -0.24 -0.04 6.85 6.70 2j2mA1 ARG 191 H -0.02 0.03 -0.28 -0.55 8.46 7.65 2j2mA1 ARG 191 HA 0.06 0.16 0.43 -0.75 4.34 4.24 2j2mA1 ARG 191 HB2 -0.19 0.01 0.10 -0.04 1.90 1.77 2j2mA1 ARG 191 HB3 -0.00 -0.00 0.02 -0.04 1.80 1.77 2j2mA1 ARG 191 HG2 -0.06 -0.13 -0.10 -0.04 1.67 1.35 2j2mA1 ARG 191 HG3 -0.09 0.05 -0.20 -0.04 1.67 1.39 2j2mA1 ARG 191 HD2 -0.03 -0.00 -0.04 -0.04 3.22 3.10 2j2mA1 ARG 191 HD3 -0.06 -0.02 -0.17 -0.04 3.22 2.93 2j2mA1 LYS 192 H 0.02 0.19 -0.55 -0.55 8.42 7.53 2j2mA1 LYS 192 HA 0.02 0.36 0.87 -0.75 4.32 4.80 2j2mA1 LYS 192 HB2 0.07 -0.15 0.16 -0.04 1.87 1.91 2j2mA1 LYS 192 HB3 0.20 -0.06 0.23 -0.04 1.79 2.12 2j2mA1 LYS 192 HG2 0.03 0.16 -0.22 -0.04 1.46 1.39 2j2mA1 LYS 192 HG3 -0.02 -0.16 -0.24 -0.04 1.46 1.00 2j2mA1 LYS 192 HD2 -0.02 -0.08 -0.09 -0.04 1.69 1.46 2j2mA1 LYS 192 HD3 -0.08 0.07 -0.06 -0.04 1.68 1.57 2j2mA1 LYS 192 HE2 -0.10 0.07 -0.07 -0.04 2.99 2.85 2j2mA1 LYS 192 HE3 -0.07 -0.05 -0.11 -0.04 2.99 2.72 2j2mA1 MET 193 H 0.21 0.34 -0.32 -0.55 8.47 8.15 2j2mA1 MET 193 HA 0.17 0.01 0.79 -0.75 4.52 4.73 2j2mA1 MET 193 HB2 0.19 -0.06 0.13 -0.04 2.15 2.37 2j2mA1 MET 193 HB3 0.15 0.03 -0.16 -0.04 2.03 2.00 2j2mA1 MET 193 HG2 0.20 0.20 -0.03 -0.04 2.63 2.96 2j2mA1 MET 193 HG3 0.34 0.24 -0.31 -0.04 2.56 2.79 2j2mA1 MET 193 HE3 -0.08 0.02 -0.08 -0.04 2.10 1.92 2j2mA1 ARG 194 H 0.24 0.05 0.15 -0.55 8.46 8.35 2j2mA1 ARG 194 HA 0.51 0.13 0.66 -0.75 4.34 4.89 2j2mA1 ARG 194 HB2 0.22 0.17 0.29 -0.04 1.90 2.54 2j2mA1 ARG 194 HB3 0.23 -0.10 0.16 -0.04 1.80 2.05 2j2mA1 ARG 194 HG2 0.15 -0.11 0.08 -0.04 1.67 1.75 2j2mA1 ARG 194 HG3 0.18 -0.01 0.03 -0.04 1.67 1.82 2j2mA1 ARG 194 HD2 0.13 0.20 -0.01 -0.04 3.22 3.50 2j2mA1 ARG 194 HD3 0.15 -0.07 0.04 -0.04 3.22 3.30 2j2mA1 GLY 195 H 0.18 0.48 0.35 -0.55 8.43 8.90 2j2mA1 GLY 195 HA2 -0.00 0.23 0.58 -0.51 4.01 4.31 2j2mA1 GLY 195 HA3 -0.86 -0.05 0.22 -0.51 4.01 2.81 2j2mA1 SER 196 H 0.14 0.40 0.14 -0.55 8.46 8.60 2j2mA1 SER 196 HA 0.04 0.18 0.96 -0.75 4.49 4.91 2j2mA1 SER 196 HB2 -0.01 0.17 -0.19 -0.04 3.95 3.89 2j2mA1 SER 196 HB3 -0.06 -0.12 0.04 -0.04 3.93 3.75 2j2mA1 SER 197 H 0.06 0.58 0.30 -0.55 8.46 8.85 2j2mA1 SER 197 HA -0.26 0.06 0.57 -0.75 4.49 4.11 2j2mA1 SER 197 HB2 0.22 0.07 0.13 -0.04 3.95 4.32 2j2mA1 SER 197 HB3 0.22 -0.05 0.15 -0.04 3.93 4.21 2j2mA1 VAL 198 H -0.16 0.03 -0.27 -0.55 8.24 7.29 2j2mA1 VAL 198 HA -0.26 0.23 0.33 -0.75 4.13 3.68 2j2mA1 VAL 198 HB -0.49 0.11 0.11 -0.04 2.12 1.81 2j2mA1 VAL 198 HG13 -0.33 -0.03 -0.23 -0.04 0.97 0.34 2j2mA1 VAL 198 HG23 -0.12 -0.01 -0.28 -0.04 0.95 0.50 2j2mA1 HIS 199 H -0.45 0.57 -0.06 -0.55 8.41 7.93 2j2mA1 HIS 199 HA -0.24 0.04 0.69 -0.75 4.63 4.37 2j2mA1 HIS 199 HB2 -0.51 0.06 -0.04 -0.04 3.26 2.73 2j2mA1 HIS 199 HB3 -0.39 -0.04 0.16 -0.04 3.20 2.90 2j2mA1 HIS 199 HD2 -0.13 0.13 0.11 -0.04 6.97 7.03 2j2mA1 HIS 199 HE1 -0.21 -0.12 -0.12 -0.04 7.75 7.26 2j2mA1 SER 200 H -0.17 0.05 0.17 -0.55 8.46 7.97 2j2mA1 SER 200 HA -0.25 0.34 0.81 -0.75 4.49 4.63 2j2mA1 SER 200 HB2 0.20 0.04 0.07 -0.04 3.95 4.22 2j2mA1 SER 200 HB3 -0.02 0.08 0.04 -0.04 3.93 3.98 2j2mA1 PHE 201 H 0.11 0.70 0.39 -0.55 8.34 8.99 2j2mA1 PHE 201 HA 0.05 -0.05 0.70 -0.75 4.62 4.57 2j2mA1 PHE 201 HB2 -0.07 -0.01 0.04 -0.04 3.15 3.08 2j2mA1 PHE 201 HB3 0.08 0.14 0.21 -0.04 3.06 3.44 2j2mA1 PHE 201 HD2 0.01 0.06 -0.13 -0.04 7.28 7.18 2j2mA1 PHE 201 HE2 -0.00 0.08 -0.03 -0.04 7.38 7.39 2j2mA1 PHE 201 HZ -0.04 -0.03 0.04 -0.04 7.32 7.24 2j2mA1 LYS 202 H 0.25 0.82 0.28 -0.55 8.42 9.22 2j2mA1 LYS 202 HA -0.00 0.32 1.09 -0.75 4.32 4.97 2j2mA1 LYS 202 HB2 0.07 0.01 -0.04 -0.04 1.87 1.87 2j2mA1 LYS 202 HB3 -0.00 0.02 -0.11 -0.04 1.79 1.66 2j2mA1 LYS 202 HG2 -0.38 0.00 -0.13 -0.04 1.46 0.92 2j2mA1 LYS 202 HG3 -0.02 -0.14 -0.37 -0.04 1.46 0.89 2j2mA1 LYS 202 HD2 0.01 0.26 -0.11 -0.04 1.69 1.81 2j2mA1 LYS 202 HD3 -0.04 0.02 -0.10 -0.04 1.68 1.51 2j2mA1 LYS 202 HE2 -0.27 -0.01 -0.06 -0.04 2.99 2.61 2j2mA1 LYS 202 HE3 0.06 -0.16 -0.02 -0.04 2.99 2.83 2j2mA1 TRP 203 H 0.15 0.60 0.33 -0.55 7.97 8.50 2j2mA1 TRP 203 HA -0.08 0.32 1.05 -0.75 4.62 5.16 2j2mA1 TRP 203 HB2 -0.04 -0.08 0.10 -0.04 3.23 3.17 2j2mA1 TRP 203 HB3 -0.04 0.18 -0.06 -0.04 3.23 3.26 2j2mA1 TRP 203 HD1 -0.11 0.23 -0.22 -0.04 7.22 7.08 2j2mA1 TRP 203 HE1 -0.36 -0.01 -0.11 -0.04 10.20 9.68 2j2mA1 TRP 203 HE3 -0.01 -0.02 -0.20 -0.04 7.59 7.32 2j2mA1 TRP 203 HZ2 -0.33 -0.01 -0.13 -0.04 7.44 6.92 2j2mA1 TRP 203 HZ3 -0.04 -0.00 -0.09 -0.04 7.13 6.96 2j2mA1 TRP 203 HH2 -0.18 -0.01 -0.12 -0.04 7.19 6.84 2j2mA1 VAL 204 H 0.04 0.48 0.22 -0.55 8.24 8.43 2j2mA1 VAL 204 HA 0.06 0.30 0.86 -0.75 4.13 4.60 2j2mA1 VAL 204 HB -0.01 -0.11 0.02 -0.04 2.12 1.98 2j2mA1 VAL 204 HG13 -0.00 0.05 -0.19 -0.04 0.97 0.78 2j2mA1 VAL 204 HG23 0.02 -0.00 -0.27 -0.04 0.95 0.66 2j2mA1 ASN 205 H 0.05 0.44 0.15 -0.55 8.53 8.62 2j2mA1 ASN 205 HA -0.03 0.07 0.62 -0.75 4.76 4.66 2j2mA1 ASN 205 HB2 -0.00 -0.05 0.03 -0.04 2.88 2.83 2j2mA1 ASN 205 HB3 0.04 0.12 -0.43 -0.04 2.79 2.47 2j2mA1 ASN 205 HD21 0.04 -0.14 0.05 -0.04 7.03 6.94 2j2mA1 ASN 205 HD22 0.03 0.76 0.14 -0.04 7.74 8.62 2j2mA1 ALA 206 H -0.01 0.26 0.07 -0.55 8.40 8.17 2j2mA1 ALA 206 HA -0.07 0.14 0.26 -0.75 4.34 3.92 2j2mA1 ALA 206 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 2j2mA1 HIS 207 H 0.10 0.00 -0.33 -0.55 8.41 7.64 2j2mA1 HIS 207 HA -0.03 0.26 0.87 -0.75 4.63 4.97 2j2mA1 HIS 207 HB2 -0.02 -0.04 0.04 -0.04 3.26 3.20 2j2mA1 HIS 207 HB3 -0.01 0.01 0.05 -0.04 3.20 3.20 2j2mA1 HIS 207 HD2 -0.02 -0.00 0.04 -0.04 6.97 6.95 2j2mA1 HIS 207 HE1 -0.02 -0.01 -0.03 -0.04 7.75 7.64 2j2mA1 GLY 208 H 0.01 0.50 -0.32 -0.55 8.43 8.07 2j2mA1 GLY 208 HA2 -0.00 0.08 0.22 -0.51 4.01 3.80 2j2mA1 GLY 208 HA3 0.00 0.12 0.49 -0.51 4.01 4.11 2j2mA1 ASN 209 H 0.06 -0.05 -0.22 -0.55 8.53 7.78 2j2mA1 ASN 209 HA 0.03 0.12 0.80 -0.75 4.76 4.97 2j2mA1 ASN 209 HB2 0.04 -0.01 0.04 -0.04 2.88 2.91 2j2mA1 ASN 209 HB3 0.06 -0.02 0.09 -0.04 2.79 2.88 2j2mA1 ASN 209 HD21 0.07 -0.03 -0.10 -0.04 7.03 6.93 2j2mA1 ASN 209 HD22 0.09 0.03 -0.11 -0.04 7.74 7.71 2j2mA1 THR 210 H 0.01 0.14 0.20 -0.55 8.28 8.08 2j2mA1 THR 210 HA 0.04 0.46 1.29 -0.75 4.39 5.43 2j2mA1 THR 210 HB -0.00 0.01 -0.11 -0.04 4.32 4.18 2j2mA1 THR 210 HG23 -0.02 0.01 0.03 -0.04 1.22 1.20 2j2mA1 VAL 211 H 0.07 0.73 0.41 -0.55 8.24 8.89 2j2mA1 VAL 211 HA -0.02 0.08 0.85 -0.75 4.13 4.28 2j2mA1 VAL 211 HB -0.01 0.01 -0.02 -0.04 2.12 2.06 2j2mA1 VAL 211 HG13 0.13 -0.02 -0.12 -0.04 0.97 0.92 2j2mA1 VAL 211 HG23 0.02 0.03 -0.03 -0.04 0.95 0.92 2j2mA1 TYR 212 H 0.10 0.44 0.29 -0.55 8.29 8.57 2j2mA1 TYR 212 HA 0.05 0.34 1.06 -0.75 4.56 5.26 2j2mA1 TYR 212 HB2 0.13 0.10 0.18 -0.04 3.06 3.44 2j2mA1 TYR 212 HB3 0.32 -0.02 -0.01 -0.04 2.98 3.24 2j2mA1 TYR 212 HD2 0.06 0.09 -0.08 -0.04 7.15 7.17 2j2mA1 TYR 212 HE2 0.04 -0.08 0.02 -0.04 6.85 6.78 2j2mA1 ILE 213 H 0.04 0.60 0.37 -0.55 8.25 8.70 2j2mA1 ILE 213 HA -0.05 0.53 1.25 -0.75 4.18 5.15 2j2mA1 ILE 213 HB -0.87 0.06 0.01 -0.04 1.89 1.05 2j2mA1 ILE 213 HG12 -2.03 0.02 -0.22 -0.04 1.49 -0.78 2j2mA1 ILE 213 HG13 -0.40 -0.13 -0.04 -0.04 1.21 0.60 2j2mA1 ILE 213 HG23 -0.69 0.00 -0.31 -0.04 0.93 -0.10 2j2mA1 ILE 213 HD13 -0.68 -0.01 -0.36 -0.04 0.88 -0.21 2j2mA1 LYS 214 H -0.21 0.54 0.39 -0.55 8.42 8.58 2j2mA1 LYS 214 HA -0.36 0.24 0.81 -0.75 4.32 4.26 2j2mA1 LYS 214 HB2 -1.13 -0.01 0.03 -0.04 1.87 0.72 2j2mA1 LYS 214 HB3 -0.42 -0.03 -0.03 -0.04 1.79 1.27 2j2mA1 LYS 214 HG2 -0.83 -0.03 -0.04 -0.04 1.46 0.52 2j2mA1 LYS 214 HG3 -0.50 -0.06 -0.00 -0.04 1.46 0.86 2j2mA1 LYS 214 HD2 -0.69 0.18 -0.80 -0.04 1.69 0.34 2j2mA1 LYS 214 HD3 -1.72 -0.10 -0.22 -0.04 1.68 -0.40 2j2mA1 LYS 214 HE2 -1.23 -0.01 -0.13 -0.04 2.99 1.58 2j2mA1 LYS 214 HE3 -3.18 -0.12 -0.12 -0.04 2.99 -0.47 2j2mA1 LEU 215 H -0.14 0.15 0.23 -0.55 8.37 8.06 2j2mA1 LEU 215 HA -0.25 0.35 1.09 -0.75 4.35 4.78 2j2mA1 LEU 215 HB2 0.14 -0.03 0.06 -0.04 1.64 1.78 2j2mA1 LEU 215 HB3 -0.01 -0.01 -0.15 -0.04 1.64 1.43 2j2mA1 LEU 215 HG -0.04 -0.01 -0.09 -0.04 1.64 1.46 2j2mA1 LEU 215 HD13 -0.15 0.06 -0.09 -0.04 0.93 0.71 2j2mA1 LEU 215 HD23 0.35 0.00 -0.12 -0.04 0.89 1.08 2j2mA1 ARG 216 H -0.41 0.46 0.25 -0.55 8.46 8.21 2j2mA1 ARG 216 HA -0.20 0.26 0.90 -0.75 4.34 4.55 2j2mA1 ARG 216 HB2 -0.55 0.02 -0.16 -0.04 1.90 1.17 2j2mA1 ARG 216 HB3 -0.37 -0.05 -0.03 -0.04 1.80 1.30 2j2mA1 ARG 216 HG2 -1.94 -0.05 -0.10 -0.04 1.67 -0.46 2j2mA1 ARG 216 HG3 -0.28 0.12 0.02 -0.04 1.67 1.48 2j2mA1 ARG 216 HD2 -0.35 -0.01 -0.45 -0.04 3.22 2.37 2j2mA1 ARG 216 HD3 -0.59 0.00 -0.19 -0.04 3.22 2.41 2j2mA1 TRP 217 H 0.02 0.58 0.23 -0.55 7.97 8.25 2j2mA1 TRP 217 HA 0.12 0.41 1.12 -0.75 4.62 5.52 2j2mA1 TRP 217 HB2 -0.55 -0.09 0.09 -0.04 3.23 2.64 2j2mA1 TRP 217 HB3 0.05 0.03 -0.11 -0.04 3.23 3.15 2j2mA1 TRP 217 HD1 -1.17 -0.06 -0.30 -0.04 7.22 5.65 2j2mA1 TRP 217 HE1 -2.84 0.01 -0.24 -0.04 10.20 7.09 2j2mA1 TRP 217 HE3 0.28 -0.01 -0.38 -0.04 7.59 7.44 2j2mA1 TRP 217 HZ2 -0.25 0.02 -0.18 -0.04 7.44 6.99 2j2mA1 TRP 217 HZ3 0.40 -0.06 -0.16 -0.04 7.13 7.27 2j2mA1 TRP 217 HH2 0.15 -0.00 -0.19 -0.04 7.19 7.11 2j2mA1 VAL 218 H 0.63 0.50 0.27 -0.55 8.24 9.09 2j2mA1 VAL 218 HA 0.35 0.18 0.88 -0.75 4.13 4.79 2j2mA1 VAL 218 HB 0.51 -0.07 0.13 -0.04 2.12 2.65 2j2mA1 VAL 218 HG13 0.17 0.01 -0.10 -0.04 0.97 1.02 2j2mA1 VAL 218 HG23 0.20 0.01 -0.19 -0.04 0.95 0.92 2j2mA1 PRO 219 HA -0.47 0.15 0.65 -0.51 4.44 4.26 2j2mA1 PRO 219 HB2 -0.29 0.01 -0.04 -0.04 2.28 1.92 2j2mA1 PRO 219 HB3 -0.38 0.25 0.01 -0.04 2.02 1.86 2j2mA1 PRO 219 HG2 0.02 -0.21 -0.31 -0.04 2.03 1.49 2j2mA1 PRO 219 HG3 0.13 0.05 -0.55 -0.04 2.03 1.62 2j2mA1 PRO 219 HD2 0.17 0.01 0.10 -0.04 3.68 3.92 2j2mA1 PRO 219 HD3 0.35 0.18 0.00 -0.04 3.65 4.15 2j2mA1 LYS 220 H -0.24 0.60 0.36 -0.55 8.42 8.58 2j2mA1 LYS 220 HA 0.01 0.06 0.50 -0.75 4.32 4.14 2j2mA1 LYS 220 HB2 0.02 -0.03 0.07 -0.04 1.87 1.90 2j2mA1 LYS 220 HB3 -0.06 0.08 0.16 -0.04 1.79 1.92 2j2mA1 LYS 220 HG2 -0.06 0.03 -0.05 -0.04 1.46 1.35 2j2mA1 LYS 220 HG3 -0.03 0.02 -0.33 -0.04 1.46 1.08 2j2mA1 LYS 220 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.62 2j2mA1 LYS 220 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.63 2j2mA1 LYS 220 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 2j2mA1 LYS 220 HE3 0.00 0.07 -0.04 -0.04 2.99 2.98 2j2mA1 GLU 221 H -0.22 0.14 -0.08 -0.55 8.60 7.89 2j2mA1 GLU 221 HA -0.02 0.07 0.53 -0.75 4.29 4.11 2j2mA1 GLU 221 HB2 -0.11 0.22 0.00 -0.04 2.09 2.17 2j2mA1 GLU 221 HB3 -0.04 -0.06 0.08 -0.04 1.99 1.93 2j2mA1 GLU 221 HG2 -0.23 -0.08 0.09 -0.04 2.34 2.07 2j2mA1 GLU 221 HG3 -0.16 -0.02 -0.02 -0.04 2.34 2.10 2j2mA1 GLY 222 H -0.03 0.31 -0.64 -0.55 8.43 7.52 2j2mA1 GLY 222 HA2 -0.03 -0.01 0.27 -0.51 4.01 3.74 2j2mA1 GLY 222 HA3 -0.05 0.10 0.46 -0.51 4.01 4.00 2j2mA1 VAL 223 H -0.10 0.07 0.06 -0.55 8.24 7.72 2j2mA1 VAL 223 HA 0.02 0.25 0.49 -0.75 4.13 4.14 2j2mA1 VAL 223 HB -0.05 -0.06 0.16 -0.04 2.12 2.12 2j2mA1 VAL 223 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.83 2j2mA1 VAL 223 HG23 0.08 -0.02 -0.00 -0.04 0.95 0.97 2j2mA1 HIS 224 H 0.09 0.71 0.30 -0.55 8.41 8.96 2j2mA1 HIS 224 HA 0.02 0.09 0.92 -0.75 4.63 4.91 2j2mA1 HIS 224 HB2 0.00 -0.03 0.10 -0.04 3.26 3.29 2j2mA1 HIS 224 HB3 0.00 -0.01 0.03 -0.04 3.20 3.18 2j2mA1 HIS 224 HD2 0.00 -0.07 0.02 -0.04 6.97 6.88 2j2mA1 HIS 224 HE1 -0.02 0.16 0.03 -0.04 7.75 7.88 2j2mA1 ASN 225 H 0.08 0.12 0.12 -0.55 8.53 8.31 2j2mA1 ASN 225 HA 0.07 0.17 0.98 -0.75 4.76 5.23 2j2mA1 ASN 225 HB2 0.05 -0.16 -0.19 -0.04 2.88 2.54 2j2mA1 ASN 225 HB3 0.05 0.47 -0.17 -0.04 2.79 3.11 2j2mA1 ASN 225 HD21 0.04 0.02 -0.19 -0.04 7.03 6.85 2j2mA1 ASN 225 HD22 0.03 -0.07 -0.19 -0.04 7.74 7.46 2j2mA1 LEU 226 H 0.05 0.90 0.27 -0.55 8.37 9.04 2j2mA1 LEU 226 HA 0.02 0.05 0.93 -0.75 4.35 4.59 2j2mA1 LEU 226 HB2 0.01 0.12 0.04 -0.04 1.64 1.77 2j2mA1 LEU 226 HB3 -0.01 -0.15 -0.01 -0.04 1.64 1.43 2j2mA1 LEU 226 HG 0.02 0.06 -0.35 -0.04 1.64 1.33 2j2mA1 LEU 226 HD13 -0.12 0.02 -0.11 -0.04 0.93 0.67 2j2mA1 LEU 226 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.72 2j2mA1 SER 227 H 0.02 0.07 0.14 -0.55 8.46 8.14 2j2mA1 SER 227 HA 0.04 0.17 0.65 -0.75 4.49 4.60 2j2mA1 SER 227 HB2 0.03 0.03 0.17 -0.04 3.95 4.14 2j2mA1 SER 227 HB3 0.02 0.09 0.14 -0.04 3.93 4.15 2j2mA1 ALA 228 H 0.05 0.19 0.14 -0.55 8.40 8.23 2j2mA1 ALA 228 HA 0.05 0.19 0.42 -0.75 4.34 4.24 2j2mA1 ALA 228 HB3 0.06 0.04 0.09 -0.04 1.41 1.56 2j2mA1 ASP 229 H 0.02 0.07 -0.14 -0.55 8.40 7.81 2j2mA1 ASP 229 HA 0.01 0.15 0.43 -0.75 4.63 4.47 2j2mA1 ASP 229 HB2 0.01 -0.04 0.03 -0.04 2.71 2.67 2j2mA1 ASP 229 HB3 0.01 0.06 -0.01 -0.04 2.70 2.71 2j2mA1 GLU 230 H 0.01 0.02 -0.23 -0.55 8.60 7.85 2j2mA1 GLU 230 HA -0.02 0.08 0.58 -0.75 4.29 4.18 2j2mA1 GLU 230 HB2 -0.00 -0.01 0.18 -0.04 2.09 2.21 2j2mA1 GLU 230 HB3 -0.03 0.10 0.03 -0.04 1.99 2.05 2j2mA1 GLU 230 HG2 -0.01 0.07 0.06 -0.04 2.34 2.42 2j2mA1 GLU 230 HG3 -0.00 -0.07 0.04 -0.04 2.34 2.27 2j2mA1 ALA 231 H -0.00 0.53 -0.19 -0.55 8.40 8.20 2j2mA1 ALA 231 HA -0.07 0.03 0.38 -0.75 4.34 3.93 2j2mA1 ALA 231 HB3 0.01 0.10 0.09 -0.04 1.41 1.57 2j2mA1 THR 232 H 0.00 0.41 -0.16 -0.55 8.28 7.98 2j2mA1 THR 232 HA 0.01 0.04 0.45 -0.75 4.39 4.14 2j2mA1 THR 232 HB 0.01 0.06 0.15 -0.04 4.32 4.50 2j2mA1 THR 232 HG23 0.01 -0.01 -0.10 -0.04 1.22 1.07 2j2mA1 GLU 233 H -0.01 0.44 -0.19 -0.55 8.60 8.28 2j2mA1 GLU 233 HA -0.01 0.01 0.41 -0.75 4.29 3.95 2j2mA1 GLU 233 HB2 -0.01 -0.02 0.14 -0.04 2.09 2.16 2j2mA1 GLU 233 HB3 -0.03 0.09 0.24 -0.04 1.99 2.26 2j2mA1 GLU 233 HG2 -0.03 0.02 -0.18 -0.04 2.34 2.11 2j2mA1 GLU 233 HG3 -0.02 -0.03 -0.00 -0.04 2.34 2.25 2j2mA1 VAL 234 H -0.06 0.62 -0.11 -0.55 8.24 8.15 2j2mA1 VAL 234 HA -0.07 -0.01 0.36 -0.75 4.13 3.66 2j2mA1 VAL 234 HB -0.21 0.10 0.13 -0.04 2.12 2.10 2j2mA1 VAL 234 HG13 -0.40 0.00 -0.06 -0.04 0.97 0.47 2j2mA1 VAL 234 HG23 -0.16 0.03 0.02 -0.04 0.95 0.80 2j2mA1 GLN 235 H -0.03 0.60 -0.15 -0.55 8.47 8.34 2j2mA1 GLN 235 HA 0.05 -0.01 0.25 -0.75 4.36 3.90 2j2mA1 GLN 235 HB2 0.02 0.10 0.12 -0.04 2.15 2.35 2j2mA1 GLN 235 HB3 0.01 0.10 0.13 -0.04 2.02 2.22 2j2mA1 GLN 235 HG2 0.04 0.02 -0.14 -0.04 2.40 2.27 2j2mA1 GLN 235 HG3 0.07 -0.11 0.05 -0.04 2.39 2.35 2j2mA1 GLN 235 HE21 0.01 -0.00 -0.11 -0.04 6.97 6.83 2j2mA1 GLN 235 HE22 0.03 -0.03 -0.12 -0.04 7.69 7.53 2j2mA1 GLY 236 H 0.01 0.46 -0.30 -0.55 8.43 8.05 2j2mA1 GLY 236 HA2 0.02 -0.01 0.32 -0.51 4.01 3.84 2j2mA1 GLY 236 HA3 0.01 0.02 0.28 -0.51 4.01 3.81 2j2mA1 LYS 237 H 0.01 0.33 -0.24 -0.55 8.42 7.96 2j2mA1 LYS 237 HA 0.02 0.10 0.76 -0.75 4.32 4.45 2j2mA1 LYS 237 HB2 -0.01 0.11 0.15 -0.04 1.87 2.08 2j2mA1 LYS 237 HB3 -0.00 -0.06 -0.03 -0.04 1.79 1.65 2j2mA1 LYS 237 HG2 -0.00 -0.05 0.02 -0.04 1.46 1.38 2j2mA1 LYS 237 HG3 0.00 0.01 0.01 -0.04 1.46 1.44 2j2mA1 LYS 237 HD2 -0.00 0.07 -0.02 -0.04 1.69 1.70 2j2mA1 LYS 237 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 2j2mA1 LYS 237 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2j2mA1 LYS 237 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2j2mA1 ASP 238 H 0.03 0.69 -0.01 -0.55 8.40 8.57 2j2mA1 ASP 238 HA 0.00 0.08 0.80 -0.75 4.63 4.76 2j2mA1 ASP 238 HB2 -0.01 0.07 -0.27 -0.04 2.71 2.46 2j2mA1 ASP 238 HB3 0.02 0.01 0.09 -0.04 2.70 2.77 2j2mA1 PHE 239 H 0.14 0.24 0.09 -0.55 8.34 8.26 2j2mA1 PHE 239 HA 0.04 0.11 0.78 -0.75 4.62 4.79 2j2mA1 PHE 239 HB2 0.02 -0.03 0.13 -0.04 3.15 3.23 2j2mA1 PHE 239 HB3 0.01 0.13 0.11 -0.04 3.06 3.26 2j2mA1 PHE 239 HD2 0.00 0.06 -0.10 -0.04 7.28 7.19 2j2mA1 PHE 239 HE2 -0.10 -0.01 -0.00 -0.04 7.38 7.23 2j2mA1 PHE 239 HZ -0.14 -0.01 -0.01 -0.04 7.32 7.13 2j2mA1 ASN 240 H -0.32 0.10 -0.31 -0.55 8.53 7.46 2j2mA1 ASN 240 HA -0.14 0.23 0.82 -0.75 4.76 4.92 2j2mA1 ASN 240 HB2 -0.32 0.03 0.07 -0.04 2.88 2.62 2j2mA1 ASN 240 HB3 -0.22 -0.04 0.16 -0.04 2.79 2.66 2j2mA1 ASN 240 HD21 -1.49 0.08 -0.04 -0.04 7.03 5.54 2j2mA1 ASN 240 HD22 -0.71 0.01 -0.00 -0.04 7.74 6.99 2j2mA1 HIS 241 H 0.06 0.26 -0.25 -0.55 8.41 7.93 2j2mA1 HIS 241 HA -0.10 0.06 0.08 -0.75 4.63 3.91 2j2mA1 HIS 241 HB2 -0.07 0.02 0.03 -0.04 3.26 3.20 2j2mA1 HIS 241 HB3 -0.06 0.17 0.04 -0.04 3.20 3.31 2j2mA1 HIS 241 HD2 -0.10 0.00 -0.10 -0.04 6.97 6.73 2j2mA1 HIS 241 HE1 -0.06 0.32 -0.28 -0.04 7.75 7.69 2j2mA1 ALA 242 H -0.82 0.12 -0.12 -0.55 8.40 7.03 2j2mA1 ALA 242 HA -0.56 0.13 0.37 -0.75 4.34 3.53 2j2mA1 ALA 242 HB3 -1.16 0.01 0.01 -0.04 1.41 0.23 2j2mA1 SER 243 H -0.18 0.09 -0.23 -0.55 8.46 7.60 2j2mA1 SER 243 HA -0.20 0.05 0.37 -0.75 4.49 3.95 2j2mA1 SER 243 HB2 0.01 0.04 0.06 -0.04 3.95 4.02 2j2mA1 SER 243 HB3 0.18 0.04 -0.05 -0.04 3.93 4.06 2j2mA1 ASN 244 H -0.10 0.55 -0.06 -0.55 8.53 8.38 2j2mA1 ASN 244 HA -0.02 0.01 0.46 -0.75 4.76 4.45 2j2mA1 ASN 244 HB2 -0.09 0.16 0.10 -0.04 2.88 3.02 2j2mA1 ASN 244 HB3 -0.05 0.09 0.09 -0.04 2.79 2.88 2j2mA1 ASN 244 HD21 -0.04 0.00 -0.03 -0.04 7.03 6.92 2j2mA1 ASN 244 HD22 -0.05 -0.02 -0.06 -0.04 7.74 7.57 2j2mA1 ASP 245 H -0.11 0.65 -0.12 -0.55 8.40 8.27 2j2mA1 ASP 245 HA -0.02 0.01 0.37 -0.75 4.63 4.23 2j2mA1 ASP 245 HB2 -0.03 0.01 0.10 -0.04 2.71 2.75 2j2mA1 ASP 245 HB3 -0.12 0.06 0.19 -0.04 2.70 2.79 2j2mA1 THR 246 H -0.23 0.57 -0.06 -0.55 8.28 8.00 2j2mA1 THR 246 HA -0.08 0.04 0.48 -0.75 4.39 4.08 2j2mA1 THR 246 HB -1.14 0.05 0.02 -0.04 4.32 3.21 2j2mA1 THR 246 HG23 0.12 -0.00 -0.08 -0.04 1.22 1.22 2j2mA1 PHE 247 H -0.13 0.72 -0.04 -0.55 8.34 8.33 2j2mA1 PHE 247 HA 0.27 0.03 0.60 -0.75 4.62 4.76 2j2mA1 PHE 247 HB2 0.26 0.02 0.12 -0.04 3.15 3.51 2j2mA1 PHE 247 HB3 0.06 0.07 0.14 -0.04 3.06 3.29 2j2mA1 PHE 247 HD2 0.27 0.01 -0.15 -0.04 7.28 7.37 2j2mA1 PHE 247 HE2 0.12 0.01 -0.00 -0.04 7.38 7.47 2j2mA1 PHE 247 HZ 0.10 0.04 0.01 -0.04 7.32 7.43 2j2mA1 GLN 248 H 0.16 0.61 -0.07 -0.55 8.47 8.62 2j2mA1 GLN 248 HA 0.18 0.01 0.43 -0.75 4.36 4.23 2j2mA1 GLN 248 HB2 0.05 0.08 0.15 -0.04 2.15 2.39 2j2mA1 GLN 248 HB3 0.05 -0.04 -0.01 -0.04 2.02 1.98 2j2mA1 GLN 248 HG2 0.10 0.19 0.07 -0.04 2.40 2.72 2j2mA1 GLN 248 HG3 0.05 -0.05 -0.01 -0.04 2.39 2.35 2j2mA1 GLN 248 HE21 0.12 -0.00 -0.01 -0.04 6.97 7.04 2j2mA1 GLN 248 HE22 0.08 0.00 0.00 -0.04 7.69 7.73 2j2mA1 ALA 249 H 0.02 0.55 -0.08 -0.55 8.40 8.34 2j2mA1 ALA 249 HA -0.01 -0.03 0.42 -0.75 4.34 3.97 2j2mA1 ALA 249 HB3 0.00 0.08 0.12 -0.04 1.41 1.56 2j2mA1 ILE 250 H 0.04 0.40 -0.31 -0.55 8.25 7.83 2j2mA1 ILE 250 HA 0.31 0.08 0.40 -0.75 4.18 4.21 2j2mA1 ILE 250 HB -0.02 0.07 0.07 -0.04 1.89 1.98 2j2mA1 ILE 250 HG12 0.19 0.23 -0.03 -0.04 1.49 1.84 2j2mA1 ILE 250 HG13 0.16 0.01 0.02 -0.04 1.21 1.36 2j2mA1 ILE 250 HG23 0.06 -0.03 -0.35 -0.04 0.93 0.57 2j2mA1 ILE 250 HD13 0.24 -0.03 -0.15 -0.04 0.88 0.90 2j2mA1 GLU 251 H -0.06 0.45 -0.12 -0.55 8.60 8.32 2j2mA1 GLU 251 HA -0.00 0.02 0.41 -0.75 4.29 3.97 2j2mA1 GLU 251 HB2 -0.14 0.18 0.17 -0.04 2.09 2.25 2j2mA1 GLU 251 HB3 0.06 0.01 0.05 -0.04 1.99 2.08 2j2mA1 GLU 251 HG2 0.23 -0.05 0.02 -0.04 2.34 2.49 2j2mA1 GLU 251 HG3 0.08 -0.02 0.03 -0.04 2.34 2.40 2j2mA1 ASN 252 H 0.00 0.55 -0.23 -0.55 8.53 8.31 2j2mA1 ASN 252 HA -0.01 0.07 0.61 -0.75 4.76 4.67 2j2mA1 ASN 252 HB2 -0.03 0.05 0.05 -0.04 2.88 2.91 2j2mA1 ASN 252 HB3 -0.04 -0.07 0.07 -0.04 2.79 2.71 2j2mA1 ASN 252 HD21 0.01 -0.08 -0.06 -0.04 7.03 6.86 2j2mA1 ASN 252 HD22 -0.01 -0.03 -0.12 -0.04 7.74 7.55 2j2mA1 GLY 253 H -0.06 0.34 -0.56 -0.55 8.43 7.60 2j2mA1 GLY 253 HA2 -0.87 0.07 0.29 -0.51 4.01 2.98 2j2mA1 GLY 253 HA3 -0.38 0.03 0.46 -0.51 4.01 3.62 2j2mA1 ASP 254 H -0.15 0.41 -0.19 -0.55 8.40 7.92 2j2mA1 ASP 254 HA -0.18 0.09 0.74 -0.75 4.63 4.53 2j2mA1 ASP 254 HB2 -0.09 -0.01 0.00 -0.04 2.71 2.57 2j2mA1 ASP 254 HB3 -0.06 -0.04 0.19 -0.04 2.70 2.75 2j2mA1 PHE 255 H -0.34 0.21 -0.33 -0.55 8.34 7.33 2j2mA1 PHE 255 HA 0.02 0.14 0.28 -0.75 4.62 4.30 2j2mA1 PHE 255 HB2 0.02 -0.09 0.02 -0.04 3.15 3.06 2j2mA1 PHE 255 HB3 0.04 0.06 -0.16 -0.04 3.06 2.96 2j2mA1 PHE 255 HD2 0.02 -0.01 -0.00 -0.04 7.28 7.24 2j2mA1 PHE 255 HE2 0.00 0.10 0.07 -0.04 7.38 7.52 2j2mA1 PHE 255 HZ 0.00 -0.01 0.08 -0.04 7.32 7.35 2j2mA1 PRO 256 HA -0.16 0.01 0.55 -0.51 4.44 4.33 2j2mA1 PRO 256 HB2 0.36 -0.05 0.03 -0.04 2.28 2.58 2j2mA1 PRO 256 HB3 -0.16 -0.01 0.09 -0.04 2.02 1.90 2j2mA1 PRO 256 HG2 0.21 -0.01 0.06 -0.04 2.03 2.25 2j2mA1 PRO 256 HG3 0.06 0.02 0.09 -0.04 2.03 2.16 2j2mA1 PRO 256 HD2 0.22 0.29 0.26 -0.04 3.68 4.41 2j2mA1 PRO 256 HD3 0.19 0.18 0.11 -0.04 3.65 4.08 2j2mA1 GLU 257 H -0.35 0.15 0.31 -0.55 8.60 8.16 2j2mA1 GLU 257 HA 0.28 0.40 1.10 -0.75 4.29 5.31 2j2mA1 GLU 257 HB2 0.01 -0.12 0.10 -0.04 2.09 2.04 2j2mA1 GLU 257 HB3 0.14 0.00 0.03 -0.04 1.99 2.12 2j2mA1 GLU 257 HG2 0.15 0.03 -0.16 -0.04 2.34 2.31 2j2mA1 GLU 257 HG3 0.09 0.24 -0.18 -0.04 2.34 2.44 2j2mA1 TRP 258 H 0.64 0.58 0.36 -0.55 7.97 9.00 2j2mA1 TRP 258 HA 0.27 0.15 0.87 -0.75 4.62 5.15 2j2mA1 TRP 258 HB2 0.45 -0.06 -0.04 -0.04 3.23 3.53 2j2mA1 TRP 258 HB3 0.64 -0.03 -0.13 -0.04 3.23 3.67 2j2mA1 TRP 258 HD1 0.38 -0.12 -0.43 -0.04 7.22 7.01 2j2mA1 TRP 258 HE1 0.21 0.62 0.02 -0.04 10.20 11.01 2j2mA1 TRP 258 HE3 0.07 -0.01 -0.36 -0.04 7.59 7.24 2j2mA1 TRP 258 HZ2 -0.48 0.33 0.02 -0.04 7.44 7.27 2j2mA1 TRP 258 HZ3 0.02 0.04 -0.32 -0.04 7.13 6.84 2j2mA1 TRP 258 HH2 -0.24 -0.06 -0.19 -0.04 7.19 6.66 2j2mA1 ASP 259 H 0.49 0.61 0.33 -0.55 8.40 9.28 2j2mA1 ASP 259 HA 0.34 0.22 1.26 -0.75 4.63 5.68 2j2mA1 ASP 259 HB2 0.53 -0.01 0.16 -0.04 2.71 3.34 2j2mA1 ASP 259 HB3 0.19 0.02 0.08 -0.04 2.70 2.95 2j2mA1 LEU 260 H -0.01 0.65 0.34 -0.55 8.37 8.80 2j2mA1 LEU 260 HA -0.47 0.38 1.05 -0.75 4.35 4.55 2j2mA1 LEU 260 HB2 -0.99 -0.01 -0.06 -0.04 1.64 0.55 2j2mA1 LEU 260 HB3 -0.07 -0.14 0.09 -0.04 1.64 1.48 2j2mA1 LEU 260 HG -0.35 0.05 -0.26 -0.04 1.64 1.04 2j2mA1 LEU 260 HD13 -1.49 0.02 -0.11 -0.04 0.93 -0.69 2j2mA1 LEU 260 HD23 -0.23 -0.01 -0.15 -0.04 0.89 0.46 2j2mA1 PHE 261 H -0.05 0.79 0.42 -0.55 8.34 8.94 2j2mA1 PHE 261 HA -0.04 0.25 0.93 -0.75 4.62 5.01 2j2mA1 PHE 261 HB2 -0.27 0.01 -0.01 -0.04 3.15 2.84 2j2mA1 PHE 261 HB3 -0.01 -0.10 -0.06 -0.04 3.06 2.85 2j2mA1 PHE 261 HD2 0.19 0.06 -0.40 -0.04 7.28 7.09 2j2mA1 PHE 261 HE2 0.23 0.01 -0.10 -0.04 7.38 7.47 2j2mA1 PHE 261 HZ 0.16 0.01 -0.07 -0.04 7.32 7.38 2j2mA1 VAL 262 H 0.10 0.38 0.33 -0.55 8.24 8.51 2j2mA1 VAL 262 HA -0.23 0.32 1.11 -0.75 4.13 4.58 2j2mA1 VAL 262 HB -0.09 -0.04 -0.15 -0.04 2.12 1.80 2j2mA1 VAL 262 HG13 0.05 0.05 -0.01 -0.04 0.97 1.02 2j2mA1 VAL 262 HG23 -0.71 0.01 -0.10 -0.04 0.95 0.11 2j2mA1 GLN 263 H -0.18 0.62 0.33 -0.55 8.47 8.70 2j2mA1 GLN 263 HA 0.10 0.34 0.94 -0.75 4.36 4.99 2j2mA1 GLN 263 HB2 0.14 -0.14 0.11 -0.04 2.15 2.22 2j2mA1 GLN 263 HB3 0.54 0.01 -0.09 -0.04 2.02 2.43 2j2mA1 GLN 263 HG2 0.36 0.37 -0.28 -0.04 2.40 2.81 2j2mA1 GLN 263 HG3 -0.03 -0.17 -0.27 -0.04 2.39 1.88 2j2mA1 GLN 263 HE21 0.47 0.33 -0.21 -0.04 6.97 7.52 2j2mA1 GLN 263 HE22 0.45 0.76 -0.05 -0.04 7.69 8.80 2j2mA1 VAL 264 H 0.05 0.28 0.11 -0.55 8.24 8.14 2j2mA1 VAL 264 HA -0.05 0.36 1.01 -0.75 4.13 4.70 2j2mA1 VAL 264 HB -0.17 -0.01 0.06 -0.04 2.12 1.96 2j2mA1 VAL 264 HG13 -0.30 -0.02 -0.19 -0.04 0.97 0.42 2j2mA1 VAL 264 HG23 -0.81 0.01 -0.27 -0.04 0.95 -0.16 2j2mA1 LEU 265 H 0.08 0.83 0.30 -0.55 8.37 9.03 2j2mA1 LEU 265 HA -0.07 0.12 0.89 -0.75 4.35 4.54 2j2mA1 LEU 265 HB2 -0.77 0.03 -0.16 -0.04 1.64 0.69 2j2mA1 LEU 265 HB3 -0.08 0.01 0.04 -0.04 1.64 1.57 2j2mA1 LEU 265 HG -0.02 0.04 -0.40 -0.04 1.64 1.21 2j2mA1 LEU 265 HD13 -0.04 -0.00 -0.06 -0.04 0.93 0.79 2j2mA1 LEU 265 HD23 -0.53 -0.02 -0.11 -0.04 0.89 0.19 2j2mA1 ASP 266 H 0.02 0.17 0.13 -0.55 8.40 8.18 2j2mA1 ASP 266 HA 0.07 0.18 0.56 -0.75 4.63 4.69 2j2mA1 ASP 266 HB2 0.05 0.08 0.13 -0.04 2.71 2.93 2j2mA1 ASP 266 HB3 0.03 -0.04 0.15 -0.04 2.70 2.80 2j2mA1 PRO 267 HA 0.37 0.06 0.48 -0.51 4.44 4.84 2j2mA1 PRO 267 HB2 0.07 0.02 0.10 -0.04 2.28 2.44 2j2mA1 PRO 267 HB3 0.17 0.02 0.13 -0.04 2.02 2.29 2j2mA1 PRO 267 HG2 -0.08 0.20 0.11 -0.04 2.03 2.21 2j2mA1 PRO 267 HG3 -0.29 -0.02 0.06 -0.04 2.03 1.74 2j2mA1 PRO 267 HD2 0.04 0.12 0.35 -0.04 3.68 4.14 2j2mA1 PRO 267 HD3 0.03 0.08 0.48 -0.04 3.65 4.21 2j2mA1 ALA 268 H 0.05 0.11 -0.34 -0.55 8.40 7.67 2j2mA1 ALA 268 HA 0.01 0.11 0.39 -0.75 4.34 4.09 2j2mA1 ALA 268 HB3 0.01 0.02 0.08 -0.04 1.41 1.47 2j2mA1 ASP 269 H 0.02 0.56 -0.43 -0.55 8.40 8.01 2j2mA1 ASP 269 HA -0.08 0.19 0.78 -0.75 4.63 4.77 2j2mA1 ASP 269 HB2 -0.01 0.13 0.09 -0.04 2.71 2.89 2j2mA1 ASP 269 HB3 -0.10 -0.01 0.15 -0.04 2.70 2.70 2j2mA1 VAL 270 H -0.01 0.34 -0.18 -0.55 8.24 7.85 2j2mA1 VAL 270 HA 0.03 0.10 0.20 -0.75 4.13 3.71 2j2mA1 VAL 270 HB -0.09 -0.08 0.09 -0.04 2.12 2.00 2j2mA1 VAL 270 HG13 -0.08 0.02 0.03 -0.04 0.97 0.90 2j2mA1 VAL 270 HG23 -0.04 0.05 0.04 -0.04 0.95 0.95 2j2mA1 GLU 271 H -0.07 0.14 -0.17 -0.55 8.60 7.95 2j2mA1 GLU 271 HA -0.07 0.10 0.61 -0.75 4.29 4.18 2j2mA1 GLU 271 HB2 -0.08 0.05 -0.00 -0.04 2.09 2.01 2j2mA1 GLU 271 HB3 -0.07 0.01 0.13 -0.04 1.99 2.03 2j2mA1 GLU 271 HG2 -0.06 -0.01 0.03 -0.04 2.34 2.25 2j2mA1 GLU 271 HG3 -0.07 -0.08 0.01 -0.04 2.34 2.16 2j2mA1 ASN 272 H -0.23 0.38 -0.44 -0.55 8.53 7.69 2j2mA1 ASN 272 HA -0.26 0.07 0.35 -0.75 4.76 4.17 2j2mA1 ASN 272 HB2 -0.73 0.30 0.17 -0.04 2.88 2.57 2j2mA1 ASN 272 HB3 -0.63 -0.05 0.16 -0.04 2.79 2.23 2j2mA1 ASN 272 HD21 -0.15 -0.03 0.05 -0.04 7.03 6.87 2j2mA1 ASN 272 HD22 -0.26 0.02 0.09 -0.04 7.74 7.55 2j2mA1 PHE 273 H -0.14 0.21 -0.36 -0.55 8.34 7.51 2j2mA1 PHE 273 HA -0.13 0.19 0.88 -0.75 4.62 4.80 2j2mA1 PHE 273 HB2 -0.97 0.26 0.09 -0.04 3.15 2.49 2j2mA1 PHE 273 HB3 -0.63 -0.12 0.13 -0.04 3.06 2.40 2j2mA1 PHE 273 HD2 -0.27 0.06 -0.00 -0.04 7.28 7.03 2j2mA1 PHE 273 HE2 -0.24 0.01 -0.07 -0.04 7.38 7.04 2j2mA1 PHE 273 HZ -0.31 0.01 -0.06 -0.04 7.32 6.91 2j2mA1 ASP 274 H 0.23 0.15 0.12 -0.55 8.40 8.36 2j2mA1 ASP 274 HA 0.07 0.19 0.68 -0.75 4.63 4.82 2j2mA1 ASP 274 HB2 0.13 -0.04 0.18 -0.04 2.71 2.94 2j2mA1 ASP 274 HB3 0.11 0.04 0.08 -0.04 2.70 2.89 2j2mA1 PHE 275 H -0.11 0.16 -0.45 -0.55 8.34 7.38 2j2mA1 PHE 275 HA 0.03 0.15 0.60 -0.75 4.62 4.65 2j2mA1 PHE 275 HB2 0.00 0.07 -0.01 -0.04 3.15 3.17 2j2mA1 PHE 275 HB3 0.03 -0.03 -0.20 -0.04 3.06 2.81 2j2mA1 PHE 275 HD2 0.01 -0.00 -0.33 -0.04 7.28 6.92 2j2mA1 PHE 275 HE2 -0.10 0.01 -0.10 -0.04 7.38 7.14 2j2mA1 PHE 275 HZ -0.77 -0.00 -0.03 -0.04 7.32 6.48 2j2mA1 ASP 276 H 0.12 0.28 0.11 -0.55 8.40 8.36 2j2mA1 ASP 276 HA -0.07 0.26 0.80 -0.75 4.63 4.87 2j2mA1 ASP 276 HB2 0.02 0.02 0.13 -0.04 2.71 2.85 2j2mA1 ASP 276 HB3 0.06 -0.04 0.18 -0.04 2.70 2.85 2j2mA1 PRO 277 HA 0.41 0.15 0.28 -0.51 4.44 4.77 2j2mA1 PRO 277 HB2 -0.02 0.02 -0.05 -0.04 2.28 2.18 2j2mA1 PRO 277 HB3 -0.52 0.06 0.05 -0.04 2.02 1.58 2j2mA1 PRO 277 HG2 -0.19 -0.07 0.07 -0.04 2.03 1.80 2j2mA1 PRO 277 HG3 -0.18 0.07 0.14 -0.04 2.03 2.01 2j2mA1 PRO 277 HD2 -0.12 0.02 0.32 -0.04 3.68 3.86 2j2mA1 PRO 277 HD3 -0.33 0.37 0.31 -0.04 3.65 3.96 2j2mA1 LEU 278 H -0.02 0.04 -0.41 -0.55 8.37 7.43 2j2mA1 LEU 278 HA -0.02 0.13 0.65 -0.75 4.35 4.37 2j2mA1 LEU 278 HB2 -0.06 0.00 0.01 -0.04 1.64 1.56 2j2mA1 LEU 278 HB3 -0.02 -0.04 -0.07 -0.04 1.64 1.47 2j2mA1 LEU 278 HG -0.04 -0.19 0.02 -0.04 1.64 1.39 2j2mA1 LEU 278 HD13 -0.23 0.03 -0.02 -0.04 0.93 0.67 2j2mA1 LEU 278 HD23 0.00 0.02 -0.06 -0.04 0.89 0.81 2j2mA1 ASP 279 H 0.09 0.64 -0.18 -0.55 8.40 8.40 2j2mA1 ASP 279 HA 0.04 -0.05 0.78 -0.75 4.63 4.65 2j2mA1 ASP 279 HB2 0.06 -0.08 0.14 -0.04 2.71 2.80 2j2mA1 ASP 279 HB3 0.11 0.25 0.22 -0.04 2.70 3.24 2j2mA1 ALA 280 H 0.05 0.07 0.21 -0.55 8.40 8.18 2j2mA1 ALA 280 HA -0.05 0.33 0.41 -0.75 4.34 4.28 2j2mA1 ALA 280 HB3 0.07 -0.00 0.10 -0.04 1.41 1.54 2j2mA1 THR 281 H 0.03 -0.03 -0.41 -0.55 8.28 7.32 2j2mA1 THR 281 HA -0.01 0.21 0.76 -0.75 4.39 4.59 2j2mA1 THR 281 HB -0.02 0.05 0.16 -0.04 4.32 4.48 2j2mA1 THR 281 HG23 0.04 0.01 -0.34 -0.04 1.22 0.90 2j2mA1 LYS 282 H -0.06 0.38 -0.34 -0.55 8.42 7.85 2j2mA1 LYS 282 HA -0.20 0.05 0.82 -0.75 4.32 4.23 2j2mA1 LYS 282 HB2 0.03 0.24 0.05 -0.04 1.87 2.15 2j2mA1 LYS 282 HB3 -0.50 0.02 -0.08 -0.04 1.79 1.19 2j2mA1 LYS 282 HG2 0.02 -0.15 -0.18 -0.04 1.46 1.10 2j2mA1 LYS 282 HG3 0.18 -0.05 -0.05 -0.04 1.46 1.49 2j2mA1 LYS 282 HD2 -0.26 -0.06 -0.02 -0.04 1.69 1.30 2j2mA1 LYS 282 HD3 -0.11 0.12 -0.18 -0.04 1.68 1.47 2j2mA1 LYS 282 HE2 0.11 -0.10 0.01 -0.04 2.99 2.97 2j2mA1 LYS 282 HE3 0.01 -0.04 0.11 -0.04 2.99 3.03 2j2mA1 ASP 283 H -0.41 0.04 0.08 -0.55 8.40 7.56 2j2mA1 ASP 283 HA -0.24 0.31 0.71 -0.75 4.63 4.66 2j2mA1 ASP 283 HB2 -0.17 0.01 -0.13 -0.04 2.71 2.38 2j2mA1 ASP 283 HB3 -0.57 -0.08 -0.09 -0.04 2.70 1.92 2j2mA1 TRP 284 H -0.03 0.27 0.00 -0.55 7.97 7.66 2j2mA1 TRP 284 HA -0.25 0.12 0.76 -0.75 4.62 4.50 2j2mA1 TRP 284 HB2 -0.05 -0.01 0.12 -0.04 3.23 3.25 2j2mA1 TRP 284 HB3 -0.02 0.06 -0.06 -0.04 3.23 3.16 2j2mA1 TRP 284 HD1 -0.16 0.06 -0.65 -0.04 7.22 6.43 2j2mA1 TRP 284 HE1 -0.05 0.13 -0.02 -0.04 10.20 10.22 2j2mA1 TRP 284 HE3 -0.05 0.01 -0.16 -0.04 7.59 7.35 2j2mA1 TRP 284 HZ2 -0.15 -0.02 -0.13 -0.04 7.44 7.10 2j2mA1 TRP 284 HZ3 -0.09 0.11 -0.42 -0.04 7.13 6.69 2j2mA1 TRP 284 HH2 -0.02 -0.03 -0.40 -0.04 7.19 6.70 2j2mA1 PHE 285 H -0.15 0.16 -0.06 -0.55 8.34 7.73 2j2mA1 PHE 285 HA 0.11 0.09 0.35 -0.75 4.62 4.42 2j2mA1 PHE 285 HB2 0.08 -0.03 0.08 -0.04 3.15 3.24 2j2mA1 PHE 285 HB3 0.05 -0.04 0.05 -0.04 3.06 3.08 2j2mA1 PHE 285 HD2 0.06 0.01 -0.04 -0.04 7.28 7.27 2j2mA1 PHE 285 HE2 0.03 0.01 -0.06 -0.04 7.38 7.33 2j2mA1 PHE 285 HZ 0.01 0.04 -0.07 -0.04 7.32 7.26 2j2mA1 GLU 286 H 0.18 0.15 0.17 -0.55 8.60 8.56 2j2mA1 GLU 286 HA 0.13 0.37 0.33 -0.75 4.29 4.36 2j2mA1 GLU 286 HB2 -0.71 0.05 0.11 -0.04 2.09 1.49 2j2mA1 GLU 286 HB3 -0.23 -0.05 0.07 -0.04 1.99 1.73 2j2mA1 GLU 286 HG2 -0.26 0.02 -0.19 -0.04 2.34 1.88 2j2mA1 GLU 286 HG3 -0.48 -0.06 0.07 -0.04 2.34 1.83 2j2mA1 ASP 287 H 0.09 -0.02 -0.30 -0.55 8.40 7.62 2j2mA1 ASP 287 HA 0.02 0.08 0.34 -0.75 4.63 4.32 2j2mA1 ASP 287 HB2 0.07 -0.12 -0.02 -0.04 2.71 2.60 2j2mA1 ASP 287 HB3 0.06 0.06 -0.19 -0.04 2.70 2.59 2j2mA1 VAL 288 H 0.21 0.22 -0.40 -0.55 8.24 7.73 2j2mA1 VAL 288 HA 0.13 0.19 0.82 -0.75 4.13 4.51 2j2mA1 VAL 288 HB 0.23 0.01 0.06 -0.04 2.12 2.38 2j2mA1 VAL 288 HG13 0.31 -0.03 -0.07 -0.04 0.97 1.14 2j2mA1 VAL 288 HG23 0.18 0.01 -0.11 -0.04 0.95 0.98 2j2mA1 ILE 289 H 0.18 0.55 -0.08 -0.55 8.25 8.34 2j2mA1 ILE 289 HA 0.10 0.20 0.80 -0.75 4.18 4.53 2j2mA1 ILE 289 HB 0.18 -0.06 -0.05 -0.04 1.89 1.91 2j2mA1 ILE 289 HG12 -0.03 0.09 -0.02 -0.04 1.49 1.48 2j2mA1 ILE 289 HG13 -0.00 -0.10 -0.58 -0.04 1.21 0.48 2j2mA1 ILE 289 HG23 0.13 0.03 -0.16 -0.04 0.93 0.89 2j2mA1 ILE 289 HD13 -0.71 -0.03 -0.15 -0.04 0.88 -0.05 2j2mA1 PRO 290 HA 0.11 0.07 0.29 -0.51 4.44 4.40 2j2mA1 PRO 290 HB2 0.15 0.02 -0.06 -0.04 2.28 2.35 2j2mA1 PRO 290 HB3 0.10 -0.00 0.09 -0.04 2.02 2.16 2j2mA1 PRO 290 HG2 0.09 -0.01 0.06 -0.04 2.03 2.13 2j2mA1 PRO 290 HG3 0.07 0.06 0.03 -0.04 2.03 2.15 2j2mA1 PRO 290 HD2 0.10 0.06 0.16 -0.04 3.68 3.97 2j2mA1 PRO 290 HD3 0.09 0.23 0.09 -0.04 3.65 4.02 2j2mA1 PHE 291 H 0.20 0.05 0.18 -0.55 8.34 8.22 2j2mA1 PHE 291 HA 0.12 0.17 0.60 -0.75 4.62 4.75 2j2mA1 PHE 291 HB2 -0.13 -0.04 0.10 -0.04 3.15 3.04 2j2mA1 PHE 291 HB3 -0.02 -0.04 -0.08 -0.04 3.06 2.88 2j2mA1 PHE 291 HD2 -0.34 0.05 -0.16 -0.04 7.28 6.79 2j2mA1 PHE 291 HE2 -0.03 0.06 -0.06 -0.04 7.38 7.31 2j2mA1 PHE 291 HZ 0.01 -0.01 -0.02 -0.04 7.32 7.26 2j2mA1 GLN 292 H 0.27 0.39 0.29 -0.55 8.47 8.88 2j2mA1 GLN 292 HA 0.32 0.13 0.94 -0.75 4.36 4.99 2j2mA1 GLN 292 HB2 0.18 -0.01 0.14 -0.04 2.15 2.42 2j2mA1 GLN 292 HB3 0.21 0.02 0.06 -0.04 2.02 2.26 2j2mA1 GLN 292 HG2 0.19 0.02 -0.16 -0.04 2.40 2.42 2j2mA1 GLN 292 HG3 0.18 0.14 -0.20 -0.04 2.39 2.47 2j2mA1 GLN 292 HE21 0.28 -0.05 -0.04 -0.04 6.97 7.12 2j2mA1 GLN 292 HE22 0.11 0.05 -0.02 -0.04 7.69 7.79 2j2mA1 HIS 293 H 0.31 0.12 0.10 -0.55 8.41 8.39 2j2mA1 HIS 293 HA -0.69 0.07 0.44 -0.75 4.63 3.69 2j2mA1 HIS 293 HB2 -0.05 -0.01 0.10 -0.04 3.26 3.26 2j2mA1 HIS 293 HB3 -0.04 0.00 0.07 -0.04 3.20 3.19 2j2mA1 HIS 293 HD2 -1.34 -0.01 -0.05 -0.04 6.97 5.53 2j2mA1 HIS 293 HE1 -0.05 -0.01 -0.11 -0.04 7.75 7.54 2j2mA1 VAL 294 H -0.60 0.73 0.52 -0.55 8.24 8.35 2j2mA1 VAL 294 HA -0.06 0.23 0.96 -0.75 4.13 4.51 2j2mA1 VAL 294 HB -0.08 0.03 0.10 -0.04 2.12 2.13 2j2mA1 VAL 294 HG13 0.17 -0.01 -0.16 -0.04 0.97 0.93 2j2mA1 VAL 294 HG23 0.06 0.02 -0.14 -0.04 0.95 0.85 2j2mA1 GLY 295 H -0.52 0.36 0.42 -0.55 8.43 8.15 2j2mA1 GLY 295 HA2 -0.27 0.03 0.61 -0.51 4.01 3.87 2j2mA1 GLY 295 HA3 -0.30 0.15 0.44 -0.51 4.01 3.80 2j2mA1 THR 296 H -0.49 0.56 0.32 -0.55 8.28 8.13 2j2mA1 THR 296 HA 0.27 0.17 1.05 -0.75 4.39 5.14 2j2mA1 THR 296 HB 0.22 0.03 0.04 -0.04 4.32 4.56 2j2mA1 THR 296 HG23 0.09 0.00 -0.21 -0.04 1.22 1.07 2j2mA1 MET 297 H 0.59 0.62 0.37 -0.55 8.47 9.51 2j2mA1 MET 297 HA 0.27 0.28 1.12 -0.75 4.52 5.44 2j2mA1 MET 297 HB2 0.66 -0.04 -0.03 -0.04 2.15 2.70 2j2mA1 MET 297 HB3 0.45 -0.05 0.08 -0.04 2.03 2.48 2j2mA1 MET 297 HG2 0.15 -0.03 -0.46 -0.04 2.63 2.24 2j2mA1 MET 297 HG3 0.06 0.10 -0.22 -0.04 2.56 2.46 2j2mA1 MET 297 HE3 -1.04 -0.01 -0.22 -0.04 2.10 0.79 2j2mA1 THR 298 H 0.12 0.60 0.32 -0.55 8.28 8.77 2j2mA1 THR 298 HA 0.19 0.29 0.90 -0.75 4.39 5.02 2j2mA1 THR 298 HB 0.04 -0.05 0.15 -0.04 4.32 4.41 2j2mA1 THR 298 HG23 0.06 0.01 -0.21 -0.04 1.22 1.04 2j2mA1 LEU 299 H 0.20 0.69 0.12 -0.55 8.37 8.83 2j2mA1 LEU 299 HA -0.03 0.09 0.90 -0.75 4.35 4.56 2j2mA1 LEU 299 HB2 0.26 0.06 0.10 -0.04 1.64 2.02 2j2mA1 LEU 299 HB3 0.10 -0.02 -0.07 -0.04 1.64 1.61 2j2mA1 LEU 299 HG -0.07 -0.01 -0.30 -0.04 1.64 1.22 2j2mA1 LEU 299 HD13 -0.12 -0.02 -0.38 -0.04 0.93 0.36 2j2mA1 LEU 299 HD23 0.21 -0.01 -0.18 -0.04 0.89 0.87 2j2mA1 ASN 300 H -0.19 0.28 0.30 -0.55 8.53 8.37 2j2mA1 ASN 300 HA -1.08 0.21 0.88 -0.75 4.76 4.02 2j2mA1 ASN 300 HB2 -1.40 0.01 0.11 -0.04 2.88 1.56 2j2mA1 ASN 300 HB3 -1.11 -0.02 -0.18 -0.04 2.79 1.43 2j2mA1 ASN 300 HD21 -0.12 -0.01 -0.06 -0.04 7.03 6.80 2j2mA1 ASN 300 HD22 -0.22 -0.01 -0.05 -0.04 7.74 7.42 2j2mA1 LYS 301 H -0.09 0.42 0.10 -0.55 8.42 8.30 2j2mA1 LYS 301 HA -0.04 0.14 0.84 -0.75 4.32 4.51 2j2mA1 LYS 301 HB2 -0.08 0.03 -0.22 -0.04 1.87 1.56 2j2mA1 LYS 301 HB3 0.01 -0.08 0.04 -0.04 1.79 1.71 2j2mA1 LYS 301 HG2 -0.00 0.14 -0.14 -0.04 1.46 1.42 2j2mA1 LYS 301 HG3 -0.01 -0.00 0.05 -0.04 1.46 1.45 2j2mA1 LYS 301 HD2 -0.06 0.00 -0.02 -0.04 1.69 1.58 2j2mA1 LYS 301 HD3 -0.11 -0.04 -0.05 -0.04 1.68 1.44 2j2mA1 LYS 301 HE2 -0.12 -0.03 -0.02 -0.04 2.99 2.78 2j2mA1 LYS 301 HE3 -0.18 -0.02 -0.03 -0.04 2.99 2.71 2j2mA1 ASN 302 H -0.04 0.15 0.07 -0.55 8.53 8.16 2j2mA1 ASN 302 HA -0.00 0.05 0.65 -0.75 4.76 4.70 2j2mA1 ASN 302 HB2 -0.17 0.01 0.11 -0.04 2.88 2.79 2j2mA1 ASN 302 HB3 0.03 0.08 0.12 -0.04 2.79 2.98 2j2mA1 ASN 302 HD21 -0.95 0.33 0.17 -0.04 7.03 6.53 2j2mA1 ASN 302 HD22 -0.73 -0.01 0.03 -0.04 7.74 6.98 2j2mA1 VAL 303 H 0.10 0.15 0.21 -0.55 8.24 8.15 2j2mA1 VAL 303 HA 0.25 0.09 0.58 -0.75 4.13 4.30 2j2mA1 VAL 303 HB 0.10 -0.08 -0.02 -0.04 2.12 2.07 2j2mA1 VAL 303 HG13 0.09 0.06 0.00 -0.04 0.97 1.09 2j2mA1 VAL 303 HG23 0.19 -0.01 -0.18 -0.04 0.95 0.91 2j2mA1 ASP 304 H 0.09 0.14 0.14 -0.55 8.40 8.22 2j2mA1 ASP 304 HA 0.09 0.18 0.74 -0.75 4.63 4.88 2j2mA1 ASP 304 HB2 0.02 -0.03 0.10 -0.04 2.71 2.77 2j2mA1 ASP 304 HB3 0.03 0.00 0.01 -0.04 2.70 2.71 2j2mA1 ASN 305 H 0.08 0.15 -0.00 -0.55 8.53 8.20 2j2mA1 ASN 305 HA 0.13 0.17 0.72 -0.75 4.76 5.02 2j2mA1 ASN 305 HB2 0.07 0.17 -0.21 -0.04 2.88 2.86 2j2mA1 ASN 305 HB3 0.05 -0.01 0.00 -0.04 2.79 2.80 2j2mA1 ASN 305 HD21 0.13 0.03 0.03 -0.04 7.03 7.18 2j2mA1 ASN 305 HD22 0.10 0.13 0.08 -0.04 7.74 8.02 2j2mA1 TYR 306 H 0.25 0.24 0.12 -0.55 8.29 8.35 2j2mA1 TYR 306 HA 0.06 0.04 0.35 -0.75 4.56 4.26 2j2mA1 TYR 306 HB2 0.09 0.06 0.13 -0.04 3.06 3.30 2j2mA1 TYR 306 HB3 0.11 0.01 0.17 -0.04 2.98 3.23 2j2mA1 TYR 306 HD2 0.11 0.00 -0.10 -0.04 7.15 7.12 2j2mA1 TYR 306 HE2 0.10 0.07 0.06 -0.04 6.85 7.05 2j2mA1 PHE 307 H 0.38 0.11 0.02 -0.55 8.34 8.30 2j2mA1 PHE 307 HA 0.14 0.11 0.35 -0.75 4.62 4.46 2j2mA1 PHE 307 HB2 0.10 0.01 0.11 -0.04 3.15 3.33 2j2mA1 PHE 307 HB3 0.06 -0.05 0.07 -0.04 3.06 3.10 2j2mA1 PHE 307 HD2 0.04 -0.07 -0.07 -0.04 7.28 7.13 2j2mA1 PHE 307 HE2 -0.01 0.01 -0.03 -0.04 7.38 7.31 2j2mA1 PHE 307 HZ -0.03 0.11 -0.03 -0.04 7.32 7.33 2j2mA1 ALA 308 H 0.12 0.01 -0.31 -0.55 8.40 7.67 2j2mA1 ALA 308 HA -0.21 0.18 0.34 -0.75 4.34 3.89 2j2mA1 ALA 308 HB3 0.00 0.00 0.01 -0.04 1.41 1.38 2j2mA1 GLU 309 H -0.14 0.17 -0.45 -0.55 8.60 7.63 2j2mA1 GLU 309 HA -0.38 0.24 0.95 -0.75 4.29 4.35 2j2mA1 GLU 309 HB2 -0.12 -0.03 0.18 -0.04 2.09 2.07 2j2mA1 GLU 309 HB3 -0.55 0.03 -0.00 -0.04 1.99 1.43 2j2mA1 GLU 309 HG2 -0.20 0.10 -0.09 -0.04 2.34 2.11 2j2mA1 GLU 309 HG3 -0.09 -0.06 -0.19 -0.04 2.34 1.96 2j2mA1 THR 310 H -0.26 0.11 0.23 -0.55 8.28 7.80 2j2mA1 THR 310 HA -0.02 0.08 0.29 -0.75 4.39 3.98 2j2mA1 THR 310 HB -1.51 0.02 0.14 -0.04 4.32 2.92 2j2mA1 THR 310 HG23 -0.36 0.01 -0.12 -0.04 1.22 0.71 2j2mA1 GLU 311 H -0.35 0.40 -0.00 -0.55 8.60 8.11 2j2mA1 GLU 311 HA -0.12 0.09 0.32 -0.75 4.29 3.82 2j2mA1 GLU 311 HB2 0.14 -0.17 0.02 -0.04 2.09 2.04 2j2mA1 GLU 311 HB3 -0.37 0.16 0.18 -0.04 1.99 1.93 2j2mA1 GLU 311 HG2 0.19 -0.08 -0.00 -0.04 2.34 2.41 2j2mA1 GLU 311 HG3 -0.14 0.12 -0.08 -0.04 2.34 2.20 2j2mA1 SER 312 H -0.35 0.02 -0.45 -0.55 8.46 7.13 2j2mA1 SER 312 HA -0.29 0.15 0.36 -0.75 4.49 3.95 2j2mA1 SER 312 HB2 -0.34 0.03 -0.10 -0.04 3.95 3.49 2j2mA1 SER 312 HB3 -0.25 -0.06 -0.01 -0.04 3.93 3.57 2j2mA1 VAL 313 H -0.25 0.31 -0.30 -0.55 8.24 7.44 2j2mA1 VAL 313 HA -0.28 -0.01 0.41 -0.75 4.13 3.50 2j2mA1 VAL 313 HB -0.31 0.07 -0.02 -0.04 2.12 1.81 2j2mA1 VAL 313 HG13 -0.06 0.02 -0.20 -0.04 0.97 0.69 2j2mA1 VAL 313 HG23 -0.73 -0.01 -0.22 -0.04 0.95 -0.05 2j2mA1 GLY 314 H -0.26 0.20 0.08 -0.55 8.43 7.90 2j2mA1 GLY 314 HA2 -0.18 0.15 0.57 -0.51 4.01 4.05 2j2mA1 GLY 314 HA3 -0.17 0.00 0.26 -0.51 4.01 3.59 2j2mA1 PHE 315 H 0.14 0.21 0.01 -0.55 8.34 8.14 2j2mA1 PHE 315 HA -0.07 0.24 0.83 -0.75 4.62 4.87 2j2mA1 PHE 315 HB2 -0.13 -0.02 -0.17 -0.04 3.15 2.79 2j2mA1 PHE 315 HB3 -0.18 -0.04 -0.15 -0.04 3.06 2.66 2j2mA1 PHE 315 HD2 -0.14 0.00 -0.22 -0.04 7.28 6.88 2j2mA1 PHE 315 HE2 -0.17 0.03 -0.20 -0.04 7.38 7.00 2j2mA1 PHE 315 HZ -0.18 -0.00 -0.36 -0.04 7.32 6.73 2j2mA1 ASN 316 H 0.01 0.29 0.02 -0.55 8.53 8.30 2j2mA1 ASN 316 HA -0.46 0.16 0.64 -0.75 4.76 4.35 2j2mA1 ASN 316 HB2 0.05 0.06 -0.23 -0.04 2.88 2.71 2j2mA1 ASN 316 HB3 0.01 0.03 -0.00 -0.04 2.79 2.79 2j2mA1 ASN 316 HD21 0.05 0.70 0.14 -0.04 7.03 7.88 2j2mA1 ASN 316 HD22 0.06 -0.07 -0.01 -0.04 7.74 7.69 2j2mA1 PRO 317 HA -0.12 0.27 0.46 -0.51 4.44 4.54 2j2mA1 PRO 317 HB2 0.12 0.01 -0.02 -0.04 2.28 2.35 2j2mA1 PRO 317 HB3 -0.10 0.10 0.15 -0.04 2.02 2.13 2j2mA1 PRO 317 HG2 -0.26 -0.03 -0.04 -0.04 2.03 1.65 2j2mA1 PRO 317 HG3 -0.41 0.08 0.05 -0.04 2.03 1.71 2j2mA1 PRO 317 HD2 -1.06 0.10 0.14 -0.04 3.68 2.82 2j2mA1 PRO 317 HD3 -1.02 0.17 0.02 -0.04 3.65 2.78 2j2mA1 GLY 318 H -0.04 0.06 -0.42 -0.55 8.43 7.48 2j2mA1 GLY 318 HA2 0.15 0.18 0.72 -0.51 4.01 4.55 2j2mA1 GLY 318 HA3 0.06 -0.03 0.29 -0.51 4.01 3.82 2j2mA1 VAL 319 H 0.04 0.47 -0.38 -0.55 8.24 7.82 2j2mA1 VAL 319 HA 0.07 0.11 0.79 -0.75 4.13 4.35 2j2mA1 VAL 319 HB 0.04 0.09 0.25 -0.04 2.12 2.46 2j2mA1 VAL 319 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.88 2j2mA1 VAL 319 HG23 0.05 -0.02 -0.02 -0.04 0.95 0.91 2j2mA1 LEU 320 H 0.09 0.26 0.01 -0.55 8.37 8.19 2j2mA1 LEU 320 HA 0.25 0.08 0.86 -0.75 4.35 4.78 2j2mA1 LEU 320 HB2 0.06 0.06 -0.10 -0.04 1.64 1.61 2j2mA1 LEU 320 HB3 -0.04 -0.02 -0.07 -0.04 1.64 1.46 2j2mA1 LEU 320 HG 0.17 -0.12 -0.46 -0.04 1.64 1.19 2j2mA1 LEU 320 HD13 0.20 -0.02 -0.30 -0.04 0.93 0.76 2j2mA1 LEU 320 HD23 0.17 0.05 -0.11 -0.04 0.89 0.96 2j2mA1 VAL 321 H -0.17 0.02 0.07 -0.55 8.24 7.61 2j2mA1 VAL 321 HA 0.01 0.29 0.76 -0.75 4.13 4.44 2j2mA1 VAL 321 HB 0.00 0.02 0.05 -0.04 2.12 2.14 2j2mA1 VAL 321 HG13 0.08 0.04 -0.44 -0.04 0.97 0.60 2j2mA1 VAL 321 HG23 -0.14 -0.04 -0.08 -0.04 0.95 0.64 2j2mA1 PRO 322 HA 0.00 0.07 0.47 -0.51 4.44 4.48 2j2mA1 PRO 322 HB2 0.11 -0.03 0.07 -0.04 2.28 2.38 2j2mA1 PRO 322 HB3 0.14 0.11 0.12 -0.04 2.02 2.35 2j2mA1 PRO 322 HG2 0.23 -0.00 0.15 -0.04 2.03 2.36 2j2mA1 PRO 322 HG3 0.12 0.10 0.14 -0.04 2.03 2.35 2j2mA1 PRO 322 HD2 0.05 -0.04 0.25 -0.04 3.68 3.90 2j2mA1 PRO 322 HD3 0.02 0.28 0.30 -0.04 3.65 4.20 2j2mA1 GLY 323 H -0.06 0.19 0.18 -0.55 8.43 8.19 2j2mA1 GLY 323 HA2 -0.12 0.12 0.40 -0.51 4.01 3.90 2j2mA1 GLY 323 HA3 -0.24 -0.00 0.74 -0.51 4.01 4.00 2j2mA1 MET 324 H -0.11 0.35 0.12 -0.55 8.47 8.29 2j2mA1 MET 324 HA 0.03 0.28 1.11 -0.75 4.52 5.19 2j2mA1 MET 324 HB2 -0.22 0.16 0.07 -0.04 2.15 2.11 2j2mA1 MET 324 HB3 -0.11 0.01 -0.02 -0.04 2.03 1.87 2j2mA1 MET 324 HG2 -0.65 0.05 -0.06 -0.04 2.63 1.93 2j2mA1 MET 324 HG3 -0.68 -0.09 -0.40 -0.04 2.56 1.34 2j2mA1 MET 324 HE3 -1.57 -0.02 -0.12 -0.04 2.10 0.36 2j2mA1 LEU 325 H 0.18 0.77 0.39 -0.55 8.37 9.16 2j2mA1 LEU 325 HA 0.09 0.19 0.75 -0.75 4.35 4.62 2j2mA1 LEU 325 HB2 0.06 -0.08 -0.05 -0.04 1.64 1.53 2j2mA1 LEU 325 HB3 0.05 0.11 0.04 -0.04 1.64 1.80 2j2mA1 LEU 325 HG 0.03 -0.07 -0.36 -0.04 1.64 1.19 2j2mA1 LEU 325 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.78 2j2mA1 LEU 325 HD23 0.03 0.02 0.07 -0.04 0.89 0.97 2j2mA1 PRO 326 HA 0.12 0.06 0.74 -0.51 4.44 4.85 2j2mA1 PRO 326 HB2 -0.05 0.13 -0.00 -0.04 2.28 2.32 2j2mA1 PRO 326 HB3 0.05 0.02 0.10 -0.04 2.02 2.15 2j2mA1 PRO 326 HG2 0.02 0.00 0.04 -0.04 2.03 2.06 2j2mA1 PRO 326 HG3 0.04 0.05 0.08 -0.04 2.03 2.16 2j2mA1 PRO 326 HD2 0.06 0.09 0.23 -0.04 3.68 4.02 2j2mA1 PRO 326 HD3 0.09 0.19 0.17 -0.04 3.65 4.06 2j2mA1 SER 327 H -0.26 0.21 0.24 -0.55 8.46 8.11 2j2mA1 SER 327 HA 0.10 0.19 0.77 -0.75 4.49 4.79 2j2mA1 SER 327 HB2 0.18 -0.12 0.07 -0.04 3.95 4.04 2j2mA1 SER 327 HB3 0.09 0.05 -0.24 -0.04 3.93 3.79 2j2mA1 GLU 328 H 0.11 0.15 0.10 -0.55 8.60 8.42 2j2mA1 GLU 328 HA 0.00 0.15 0.41 -0.75 4.29 4.10 2j2mA1 GLU 328 HB2 0.06 -0.05 0.06 -0.04 2.09 2.12 2j2mA1 GLU 328 HB3 0.04 -0.01 0.10 -0.04 1.99 2.07 2j2mA1 GLU 328 HG2 0.08 0.01 0.04 -0.04 2.34 2.43 2j2mA1 GLU 328 HG3 0.06 0.08 0.01 -0.04 2.34 2.44 2j2mA1 ASP 329 H -0.05 0.02 -0.35 -0.55 8.40 7.47 2j2mA1 ASP 329 HA -0.03 0.10 0.53 -0.75 4.63 4.47 2j2mA1 ASP 329 HB2 -0.09 0.05 0.21 -0.04 2.71 2.83 2j2mA1 ASP 329 HB3 -0.24 0.03 0.14 -0.04 2.70 2.60 2j2mA1 LYS 330 H -0.01 0.16 0.33 -0.55 8.42 8.35 2j2mA1 LYS 330 HA -0.03 0.19 0.47 -0.75 4.32 4.19 2j2mA1 LYS 330 HB2 0.01 0.11 0.31 -0.04 1.87 2.27 2j2mA1 LYS 330 HB3 0.01 -0.17 0.24 -0.04 1.79 1.83 2j2mA1 LYS 330 HG2 0.00 0.06 0.13 -0.04 1.46 1.61 2j2mA1 LYS 330 HG3 0.01 0.06 0.15 -0.04 1.46 1.63 2j2mA1 LYS 330 HD2 0.02 -0.10 0.08 -0.04 1.69 1.66 2j2mA1 LYS 330 HD3 0.02 0.03 0.08 -0.04 1.68 1.76 2j2mA1 LYS 330 HE2 0.02 0.04 0.07 -0.04 2.99 3.07 2j2mA1 LYS 330 HE3 0.02 -0.09 0.09 -0.04 2.99 2.97 2j2mA1 LEU 331 H -0.01 0.15 -0.13 -0.55 8.37 7.84 2j2mA1 LEU 331 HA -0.00 -0.07 0.55 -0.75 4.35 4.08 2j2mA1 LEU 331 HB2 0.09 -0.11 -0.29 -0.04 1.64 1.29 2j2mA1 LEU 331 HB3 0.11 0.06 0.01 -0.04 1.64 1.78 2j2mA1 LEU 331 HG -0.06 0.04 -0.19 -0.04 1.64 1.39 2j2mA1 LEU 331 HD13 0.17 -0.05 -0.39 -0.04 0.93 0.61 2j2mA1 LEU 331 HD23 -0.02 0.09 -0.10 -0.04 0.89 0.82 2j2mA1 LEU 332 H -0.34 0.09 -0.16 -0.55 8.37 7.42 2j2mA1 LEU 332 HA -0.62 0.05 0.31 -0.75 4.35 3.34 2j2mA1 LEU 332 HB2 -1.51 -0.01 0.12 -0.04 1.64 0.20 2j2mA1 LEU 332 HB3 -0.48 0.14 0.13 -0.04 1.64 1.39 2j2mA1 LEU 332 HG -0.32 0.03 -0.25 -0.04 1.64 1.06 2j2mA1 LEU 332 HD13 -0.31 -0.00 0.00 -0.04 0.93 0.58 2j2mA1 LEU 332 HD23 -0.73 0.04 0.12 -0.04 0.89 0.28 2j2mA1 GLN 333 H -0.16 0.49 -0.19 -0.55 8.47 8.07 2j2mA1 GLN 333 HA -0.07 0.08 0.36 -0.75 4.36 3.98 2j2mA1 GLN 333 HB2 -0.05 -0.04 0.09 -0.04 2.15 2.11 2j2mA1 GLN 333 HB3 -0.03 -0.03 0.01 -0.04 2.02 1.93 2j2mA1 GLN 333 HG2 -0.09 0.15 -0.04 -0.04 2.40 2.37 2j2mA1 GLN 333 HG3 -0.04 0.05 -0.10 -0.04 2.39 2.26 2j2mA1 GLN 333 HE21 -0.01 -0.03 -0.11 -0.04 6.97 6.78 2j2mA1 GLN 333 HE22 -0.05 0.41 -0.12 -0.04 7.69 7.89 2j2mA1 GLY 334 H -0.05 0.25 -0.29 -0.55 8.43 7.80 2j2mA1 GLY 334 HA2 0.06 0.08 0.53 -0.51 4.01 4.17 2j2mA1 GLY 334 HA3 0.01 -0.03 0.32 -0.51 4.01 3.81 2j2mA1 ARG 335 H -0.07 0.34 -0.08 -0.55 8.46 8.10 2j2mA1 ARG 335 HA 0.11 -0.02 0.49 -0.75 4.34 4.17 2j2mA1 ARG 335 HB2 -0.10 0.20 0.18 -0.04 1.90 2.14 2j2mA1 ARG 335 HB3 0.07 -0.02 0.05 -0.04 1.80 1.86 2j2mA1 ARG 335 HG2 0.02 -0.02 0.01 -0.04 1.67 1.63 2j2mA1 ARG 335 HG3 -0.14 0.04 0.03 -0.04 1.67 1.56 2j2mA1 ARG 335 HD2 -0.10 -0.06 -0.11 -0.04 3.22 2.91 2j2mA1 ARG 335 HD3 -0.11 -0.00 -0.02 -0.04 3.22 3.05 2j2mA1 LEU 336 H -0.01 0.45 -0.24 -0.55 8.37 8.02 2j2mA1 LEU 336 HA 0.03 -0.10 0.28 -0.75 4.35 3.80 2j2mA1 LEU 336 HB2 0.06 0.11 0.08 -0.04 1.64 1.84 2j2mA1 LEU 336 HB3 0.05 0.01 0.06 -0.04 1.64 1.72 2j2mA1 LEU 336 HG -0.04 0.18 0.07 -0.04 1.64 1.81 2j2mA1 LEU 336 HD13 -0.00 0.02 0.03 -0.04 0.93 0.93 2j2mA1 LEU 336 HD23 0.00 -0.04 -0.04 -0.04 0.89 0.78 2j2mA1 PHE 337 H 0.19 0.24 -0.37 -0.55 8.34 7.86 2j2mA1 PHE 337 HA 0.03 0.09 0.56 -0.75 4.62 4.55 2j2mA1 PHE 337 HB2 0.01 -0.01 0.08 -0.04 3.15 3.18 2j2mA1 PHE 337 HB3 0.00 0.10 0.16 -0.04 3.06 3.28 2j2mA1 PHE 337 HD2 0.01 0.01 -0.01 -0.04 7.28 7.25 2j2mA1 PHE 337 HE2 0.00 0.00 -0.03 -0.04 7.38 7.31 2j2mA1 PHE 337 HZ 0.00 0.01 -0.04 -0.04 7.32 7.25 2j2mA1 SER 338 H 0.07 0.44 0.05 -0.55 8.46 8.47 2j2mA1 SER 338 HA -0.45 -0.00 0.19 -0.75 4.49 3.47 2j2mA1 SER 338 HB2 -0.02 0.03 0.07 -0.04 3.95 3.99 2j2mA1 SER 338 HB3 -0.10 0.00 0.16 -0.04 3.93 3.95 2j2mA1 TYR 339 H 0.21 0.43 -0.05 -0.55 8.29 8.33 2j2mA1 TYR 339 HA -0.12 0.04 0.35 -0.75 4.56 4.07 2j2mA1 TYR 339 HB2 -0.07 -0.04 0.17 -0.04 3.06 3.08 2j2mA1 TYR 339 HB3 -0.07 0.29 0.10 -0.04 2.98 3.26 2j2mA1 TYR 339 HD2 -0.08 0.24 0.12 -0.04 7.15 7.39 2j2mA1 TYR 339 HE2 -0.17 -0.04 -0.03 -0.04 6.85 6.57 2j2mA1 SER 340 H 0.03 0.23 -0.07 -0.55 8.46 8.10 2j2mA1 SER 340 HA -0.06 0.08 0.35 -0.75 4.49 4.10 2j2mA1 SER 340 HB2 0.01 0.10 0.07 -0.04 3.95 4.09 2j2mA1 SER 340 HB3 0.12 0.00 0.00 -0.04 3.93 4.02 2j2mA1 ASP 341 H -0.30 0.37 -0.33 -0.55 8.40 7.58 2j2mA1 ASP 341 HA -0.18 0.02 0.38 -0.75 4.63 4.10 2j2mA1 ASP 341 HB2 -1.26 0.03 0.05 -0.04 2.71 1.49 2j2mA1 ASP 341 HB3 -0.76 0.10 0.09 -0.04 2.70 2.09 2j2mA1 THR 342 H -0.23 0.66 0.01 -0.55 8.28 8.17 2j2mA1 THR 342 HA -0.05 0.02 0.56 -0.75 4.39 4.17 2j2mA1 THR 342 HB -0.15 0.03 0.15 -0.04 4.32 4.31 2j2mA1 THR 342 HG23 -0.17 0.07 0.03 -0.04 1.22 1.10 2j2mA1 GLN 343 H -0.24 0.44 -0.24 -0.55 8.47 7.89 2j2mA1 GLN 343 HA -0.30 0.04 0.52 -0.75 4.36 3.87 2j2mA1 GLN 343 HB2 -0.73 0.06 0.12 -0.04 2.15 1.55 2j2mA1 GLN 343 HB3 -1.25 -0.01 -0.01 -0.04 2.02 0.71 2j2mA1 GLN 343 HG2 -0.33 0.06 -0.01 -0.04 2.40 2.08 2j2mA1 GLN 343 HG3 -0.23 -0.03 0.01 -0.04 2.39 2.10 2j2mA1 GLN 343 HE21 0.11 0.34 -0.14 -0.04 6.97 7.24 2j2mA1 GLN 343 HE22 0.01 -0.02 0.00 -0.04 7.69 7.64 2j2mA1 ARG 344 H -0.17 0.44 -0.24 -0.55 8.46 7.94 2j2mA1 ARG 344 HA 0.04 0.20 0.21 -0.75 4.34 4.03 2j2mA1 ARG 344 HB2 0.01 0.14 0.11 -0.04 1.90 2.11 2j2mA1 ARG 344 HB3 0.06 -0.09 -0.01 -0.04 1.80 1.71 2j2mA1 ARG 344 HG2 0.18 -0.01 0.07 -0.04 1.67 1.86 2j2mA1 ARG 344 HG3 0.15 0.10 0.06 -0.04 1.67 1.94 2j2mA1 ARG 344 HD2 0.04 -0.01 0.00 -0.04 3.22 3.22 2j2mA1 ARG 344 HD3 0.08 -0.07 0.01 -0.04 3.22 3.21 2j2mA1 HIS 345 H 0.02 0.19 -0.53 -0.55 8.41 7.54 2j2mA1 HIS 345 HA -0.02 0.07 0.62 -0.75 4.63 4.54 2j2mA1 HIS 345 HB2 -0.03 -0.07 0.05 -0.04 3.26 3.17 2j2mA1 HIS 345 HB3 -0.07 0.06 0.17 -0.04 3.20 3.33 2j2mA1 HIS 345 HD2 -0.06 0.01 0.05 -0.04 6.97 6.93 2j2mA1 HIS 345 HE1 -0.01 -0.04 -0.04 -0.04 7.75 7.61 2j2mA1 ARG 346 H -0.16 0.67 0.17 -0.55 8.46 8.58 2j2mA1 ARG 346 HA -0.48 0.01 0.31 -0.75 4.34 3.43 2j2mA1 ARG 346 HB2 -0.16 -0.09 0.04 -0.04 1.90 1.65 2j2mA1 ARG 346 HB3 -0.17 -0.03 0.09 -0.04 1.80 1.65 2j2mA1 ARG 346 HG2 -0.15 0.04 -0.32 -0.04 1.67 1.20 2j2mA1 ARG 346 HG3 -0.13 0.15 -0.05 -0.04 1.67 1.60 2j2mA1 ARG 346 HD2 -0.06 0.03 -0.24 -0.04 3.22 2.91 2j2mA1 ARG 346 HD3 -0.06 -0.11 -0.27 -0.04 3.22 2.74 2j2mA1 ILE 347 H -0.18 0.46 -0.05 -0.55 8.25 7.93 2j2mA1 ILE 347 HA -0.10 0.18 0.83 -0.75 4.18 4.34 2j2mA1 ILE 347 HB -0.10 0.01 0.05 -0.04 1.89 1.81 2j2mA1 ILE 347 HG12 -0.17 0.09 -0.12 -0.04 1.49 1.25 2j2mA1 ILE 347 HG13 -0.21 -0.16 -0.12 -0.04 1.21 0.68 2j2mA1 ILE 347 HG23 -0.06 -0.01 -0.00 -0.04 0.93 0.82 2j2mA1 ILE 347 HD13 -0.25 0.04 -0.15 -0.04 0.88 0.48 2j2mA1 GLY 348 H -0.06 0.31 -0.05 -0.55 8.43 8.08 2j2mA1 GLY 348 HA2 0.01 0.15 0.28 -0.51 4.01 3.95 2j2mA1 GLY 348 HA3 0.03 0.12 0.76 -0.51 4.01 4.41 2j2mA1 PRO 349 HA 0.11 0.06 0.55 -0.51 4.44 4.66 2j2mA1 PRO 349 HB2 0.04 0.01 0.06 -0.04 2.28 2.35 2j2mA1 PRO 349 HB3 0.05 -0.00 0.13 -0.04 2.02 2.16 2j2mA1 PRO 349 HG2 0.04 -0.10 0.15 -0.04 2.03 2.07 2j2mA1 PRO 349 HG3 0.05 0.09 0.13 -0.04 2.03 2.27 2j2mA1 PRO 349 HD2 0.04 0.09 0.22 -0.04 3.68 3.99 2j2mA1 PRO 349 HD3 0.04 0.27 0.25 -0.04 3.65 4.17 2j2mA1 ASN 350 H 0.06 0.22 -0.30 -0.55 8.53 7.96 2j2mA1 ASN 350 HA -0.03 0.15 0.71 -0.75 4.76 4.84 2j2mA1 ASN 350 HB2 0.03 0.20 0.00 -0.04 2.88 3.07 2j2mA1 ASN 350 HB3 0.00 -0.11 0.10 -0.04 2.79 2.74 2j2mA1 ASN 350 HD21 0.02 0.38 -0.18 -0.04 7.03 7.20 2j2mA1 ASN 350 HD22 0.03 0.30 -0.56 -0.04 7.74 7.46 2j2mA1 TYR 351 H 0.21 0.48 -0.54 -0.55 8.29 7.89 2j2mA1 TYR 351 HA -0.06 0.07 0.19 -0.75 4.56 4.00 2j2mA1 TYR 351 HB2 -0.09 0.04 -0.02 -0.04 3.06 2.95 2j2mA1 TYR 351 HB3 -0.06 0.28 -0.02 -0.04 2.98 3.14 2j2mA1 TYR 351 HD2 -0.07 0.13 -0.16 -0.04 7.15 7.02 2j2mA1 TYR 351 HE2 -0.05 0.01 -0.09 -0.04 6.85 6.67 2j2mA1 GLN 352 H -0.63 0.10 -0.42 -0.55 8.47 6.97 2j2mA1 GLN 352 HA -0.33 0.13 0.31 -0.75 4.36 3.71 2j2mA1 GLN 352 HB2 -0.43 -0.03 -0.04 -0.04 2.15 1.61 2j2mA1 GLN 352 HB3 -0.23 0.02 -0.06 -0.04 2.02 1.70 2j2mA1 GLN 352 HG2 -0.94 -0.04 -0.07 -0.04 2.40 1.31 2j2mA1 GLN 352 HG3 -0.29 -0.04 -0.03 -0.04 2.39 1.99 2j2mA1 GLN 352 HE21 -0.08 0.37 0.04 -0.04 6.97 7.26 2j2mA1 GLN 352 HE22 -0.12 -0.10 0.00 -0.04 7.69 7.43 2j2mA1 GLN 353 H -0.11 0.57 -0.48 -0.55 8.47 7.90 2j2mA1 GLN 353 HA -0.07 0.13 0.66 -0.75 4.36 4.33 2j2mA1 GLN 353 HB2 -0.02 0.15 0.01 -0.04 2.15 2.25 2j2mA1 GLN 353 HB3 -0.00 -0.11 0.04 -0.04 2.02 1.90 2j2mA1 GLN 353 HG2 -0.04 0.03 -0.12 -0.04 2.40 2.23 2j2mA1 GLN 353 HG3 -0.06 -0.02 -0.09 -0.04 2.39 2.18 2j2mA1 GLN 353 HE21 0.00 -0.03 -0.25 -0.04 6.97 6.65 2j2mA1 GLN 353 HE22 -0.02 0.02 -0.18 -0.04 7.69 7.47 2j2mA1 LEU 354 H -0.08 0.38 -0.19 -0.55 8.37 7.94 2j2mA1 LEU 354 HA -0.12 0.07 0.50 -0.75 4.35 4.05 2j2mA1 LEU 354 HB2 -0.08 0.17 0.12 -0.04 1.64 1.81 2j2mA1 LEU 354 HB3 -0.12 -0.09 0.00 -0.04 1.64 1.39 2j2mA1 LEU 354 HG -0.04 0.01 0.02 -0.04 1.64 1.59 2j2mA1 LEU 354 HD13 -0.07 0.03 0.01 -0.04 0.93 0.85 2j2mA1 LEU 354 HD23 -0.08 -0.02 -0.00 -0.04 0.89 0.75 2j2mA1 PRO 355 HA -0.11 0.11 0.34 -0.51 4.44 4.28 2j2mA1 PRO 355 HB2 -0.13 -0.02 0.06 -0.04 2.28 2.15 2j2mA1 PRO 355 HB3 -0.12 0.02 0.07 -0.04 2.02 1.94 2j2mA1 PRO 355 HG2 -0.14 -0.01 0.08 -0.04 2.03 1.92 2j2mA1 PRO 355 HG3 -0.15 0.06 0.10 -0.04 2.03 2.01 2j2mA1 PRO 355 HD2 -0.15 0.07 0.20 -0.04 3.68 3.77 2j2mA1 PRO 355 HD3 -0.17 0.20 0.24 -0.04 3.65 3.87 2j2mA1 ILE 356 H -0.16 0.11 -0.27 -0.55 8.25 7.38 2j2mA1 ILE 356 HA -0.19 0.04 0.31 -0.75 4.18 3.59 2j2mA1 ILE 356 HB -0.30 -0.02 0.11 -0.04 1.89 1.64 2j2mA1 ILE 356 HG12 -0.71 0.13 0.02 -0.04 1.49 0.88 2j2mA1 ILE 356 HG13 -0.47 0.02 -0.02 -0.04 1.21 0.70 2j2mA1 ILE 356 HG23 -0.24 -0.01 -0.21 -0.04 0.93 0.43 2j2mA1 ILE 356 HD13 -1.12 -0.03 -0.02 -0.04 0.88 -0.34 2j2mA1 ASN 357 H -0.10 0.43 -0.30 -0.55 8.53 8.02 2j2mA1 ASN 357 HA -0.07 0.11 0.77 -0.75 4.76 4.82 2j2mA1 ASN 357 HB2 -0.08 0.15 0.02 -0.04 2.88 2.93 2j2mA1 ASN 357 HB3 -0.09 -0.10 0.01 -0.04 2.79 2.57 2j2mA1 ASN 357 HD21 -0.05 0.34 0.01 -0.04 7.03 7.29 2j2mA1 ASN 357 HD22 -0.00 0.22 0.01 -0.04 7.74 7.93 2j2mA1 CYS 358 H -0.04 0.24 -0.24 -0.55 8.50 7.92 2j2mA1 CYS 358 HA -0.03 0.14 0.33 -0.75 4.58 4.26 2j2mA1 CYS 358 HB2 -0.06 0.01 -0.18 -0.04 2.97 2.69 2j2mA1 CYS 358 HB3 -0.04 -0.02 -0.03 -0.04 2.97 2.84 2j2mA1 PRO 359 HA 0.21 0.00 0.43 -0.51 4.44 4.58 2j2mA1 PRO 359 HB2 0.03 0.32 -0.05 -0.04 2.28 2.55 2j2mA1 PRO 359 HB3 0.06 -0.20 0.11 -0.04 2.02 1.96 2j2mA1 PRO 359 HG2 -0.02 0.01 0.02 -0.04 2.03 1.99 2j2mA1 PRO 359 HG3 -0.01 -0.01 0.09 -0.04 2.03 2.06 2j2mA1 PRO 359 HD2 -0.03 0.06 0.14 -0.04 3.68 3.81 2j2mA1 PRO 359 HD3 -0.03 0.24 0.22 -0.04 3.65 4.02 2j2mA1 PHE 360 H 0.34 0.02 0.05 -0.55 8.34 8.20 2j2mA1 PHE 360 HA -0.01 0.15 0.63 -0.75 4.62 4.63 2j2mA1 PHE 360 HB2 0.04 0.04 0.02 -0.04 3.15 3.21 2j2mA1 PHE 360 HB3 0.09 0.01 -0.16 -0.04 3.06 2.96 2j2mA1 PHE 360 HD2 0.00 0.03 -0.19 -0.04 7.28 7.09 2j2mA1 PHE 360 HE2 0.00 -0.04 -0.02 -0.04 7.38 7.28 2j2mA1 PHE 360 HZ 0.01 -0.04 -0.01 -0.04 7.32 7.23 2j2mA1 ALA 361 H 0.19 -0.02 -0.04 -0.55 8.40 7.98 2j2mA1 ALA 361 HA -0.09 0.03 0.55 -0.75 4.34 4.08 2j2mA1 ALA 361 HB3 0.06 0.01 0.00 -0.04 1.41 1.44 2j2mA1 GLN 362 H -0.12 0.04 0.12 -0.55 8.47 7.96 2j2mA1 GLN 362 HA -0.10 0.10 0.38 -0.75 4.36 3.99 2j2mA1 GLN 362 HB2 -0.12 0.01 0.10 -0.04 2.15 2.10 2j2mA1 GLN 362 HB3 -0.08 -0.05 0.06 -0.04 2.02 1.90 2j2mA1 GLN 362 HG2 -0.08 -0.05 -0.03 -0.04 2.40 2.20 2j2mA1 GLN 362 HG3 -0.08 0.01 -0.27 -0.04 2.39 2.01 2j2mA1 GLN 362 HE21 -0.07 0.01 0.04 -0.04 6.97 6.91 2j2mA1 GLN 362 HE22 -0.07 -0.07 0.01 -0.04 7.69 7.52 2j2mA1 VAL 363 H -0.07 0.19 0.14 -0.55 8.24 7.94 2j2mA1 VAL 363 HA -0.06 0.12 0.77 -0.75 4.13 4.20 2j2mA1 VAL 363 HB -0.06 0.01 0.14 -0.04 2.12 2.17 2j2mA1 VAL 363 HG13 -0.06 -0.02 -0.15 -0.04 0.97 0.70 2j2mA1 VAL 363 HG23 -0.05 0.04 -0.04 -0.04 0.95 0.86 2j2mA1 ASN 364 H -0.08 0.23 -0.01 -0.55 8.53 8.13 2j2mA1 ASN 364 HA -0.12 0.17 0.89 -0.75 4.76 4.95 2j2mA1 ASN 364 HB2 -0.09 -0.00 0.08 -0.04 2.88 2.83 2j2mA1 ASN 364 HB3 -0.13 -0.01 0.02 -0.04 2.79 2.64 2j2mA1 ASN 364 HD21 -0.08 -0.04 -0.05 -0.04 7.03 6.83 2j2mA1 ASN 364 HD22 -0.11 0.01 0.08 -0.04 7.74 7.68 2j2mA1 ASN 365 H -0.16 0.28 0.09 -0.55 8.53 8.19 2j2mA1 ASN 365 HA -0.30 0.16 0.49 -0.75 4.76 4.36 2j2mA1 ASN 365 HB2 0.04 -0.19 0.17 -0.04 2.88 2.85 2j2mA1 ASN 365 HB3 -0.03 0.15 -0.10 -0.04 2.79 2.76 2j2mA1 ASN 365 HD21 -0.03 0.06 -0.10 -0.04 7.03 6.92 2j2mA1 ASN 365 HD22 -0.02 0.04 -0.11 -0.04 7.74 7.61 2j2mA1 TYR 366 H 0.13 0.11 0.09 -0.55 8.29 8.07 2j2mA1 TYR 366 HA -0.02 0.23 0.55 -0.75 4.56 4.57 2j2mA1 TYR 366 HB2 0.00 -0.04 -0.03 -0.04 3.06 2.95 2j2mA1 TYR 366 HB3 0.01 0.22 -0.17 -0.04 2.98 3.00 2j2mA1 TYR 366 HD2 -0.04 -0.07 -0.21 -0.04 7.15 6.79 2j2mA1 TYR 366 HE2 -0.09 0.03 -0.15 -0.04 6.85 6.60 2j2mA1 GLN 367 H 0.03 -0.04 -0.18 -0.55 8.47 7.73 2j2mA1 GLN 367 HA 0.05 0.08 0.60 -0.75 4.36 4.34 2j2mA1 GLN 367 HB2 -0.00 -0.01 -0.02 -0.04 2.15 2.07 2j2mA1 GLN 367 HB3 0.01 0.07 -0.03 -0.04 2.02 2.02 2j2mA1 GLN 367 HG2 0.04 0.03 0.00 -0.04 2.40 2.43 2j2mA1 GLN 367 HG3 0.04 -0.12 -0.00 -0.04 2.39 2.26 2j2mA1 GLN 367 HE21 0.00 0.03 -0.03 -0.04 6.97 6.94 2j2mA1 GLN 367 HE22 0.02 -0.04 -0.03 -0.04 7.69 7.60 2j2mA1 ARG 368 H 0.03 0.20 0.18 -0.55 8.46 8.31 2j2mA1 ARG 368 HA 0.00 0.16 0.88 -0.75 4.34 4.63 2j2mA1 ARG 368 HB2 0.04 -0.04 -0.02 -0.04 1.90 1.83 2j2mA1 ARG 368 HB3 0.02 -0.05 -0.01 -0.04 1.80 1.72 2j2mA1 ARG 368 HG2 0.05 0.14 -0.54 -0.04 1.67 1.27 2j2mA1 ARG 368 HG3 0.04 -0.05 -0.09 -0.04 1.67 1.53 2j2mA1 ARG 368 HD2 0.00 -0.08 0.03 -0.04 3.22 3.13 2j2mA1 ARG 368 HD3 -0.01 0.14 0.08 -0.04 3.22 3.40 2j2mA1 ASP 369 H 0.00 0.13 0.13 -0.55 8.40 8.12 2j2mA1 ASP 369 HA 0.01 0.04 0.31 -0.75 4.63 4.24 2j2mA1 ASP 369 HB2 0.02 0.19 -0.14 -0.04 2.71 2.74 2j2mA1 ASP 369 HB3 0.01 -0.14 0.15 -0.04 2.70 2.69 2j2mA1 GLY 370 H 0.02 0.01 0.11 -0.55 8.43 8.02 2j2mA1 GLY 370 HA2 0.02 -0.06 0.38 -0.51 4.01 3.85 2j2mA1 GLY 370 HA3 0.02 0.16 0.47 -0.51 4.01 4.16 2j2mA1 ALA 371 H 0.03 0.08 0.11 -0.55 8.40 8.07 2j2mA1 ALA 371 HA 0.03 -0.05 0.26 -0.75 4.34 3.82 2j2mA1 ALA 371 HB3 0.03 0.02 0.11 -0.04 1.41 1.52 2j2mA1 MET 372 H 0.03 0.04 0.14 -0.55 8.47 8.13 2j2mA1 MET 372 HA 0.06 -0.01 0.34 -0.75 4.52 4.16 2j2mA1 MET 372 HB2 0.06 0.14 -0.21 -0.04 2.15 2.10 2j2mA1 MET 372 HB3 0.10 -0.01 0.14 -0.04 2.03 2.22 2j2mA1 MET 372 HG2 0.05 -0.10 -0.04 -0.04 2.63 2.50 2j2mA1 MET 372 HG3 0.06 0.08 -0.04 -0.04 2.56 2.62 2j2mA1 MET 372 HE3 0.14 0.01 -0.01 -0.04 2.10 2.20 2j2mA1 PRO 373 HA 0.04 0.17 0.26 -0.51 4.44 4.40 2j2mA1 PRO 373 HB2 -0.01 -0.08 0.17 -0.04 2.28 2.32 2j2mA1 PRO 373 HB3 0.01 0.20 -0.04 -0.04 2.02 2.15 2j2mA1 PRO 373 HG2 -0.03 0.01 -0.01 -0.04 2.03 1.96 2j2mA1 PRO 373 HG3 -0.01 -0.03 0.01 -0.04 2.03 1.96 2j2mA1 PRO 373 HD2 0.01 0.03 0.08 -0.04 3.68 3.76 2j2mA1 PRO 373 HD3 0.02 0.04 0.06 -0.04 3.65 3.73 2j2mA1 PHE 374 H 0.19 0.56 -0.02 -0.55 8.34 8.51 2j2mA1 PHE 374 HA -0.01 0.01 0.15 -0.75 4.62 4.01 2j2mA1 PHE 374 HB2 -0.01 0.06 0.05 -0.04 3.15 3.22 2j2mA1 PHE 374 HB3 -0.02 0.06 -0.02 -0.04 3.06 3.04 2j2mA1 PHE 374 HD2 -0.01 0.02 -0.10 -0.04 7.28 7.15 2j2mA1 PHE 374 HE2 -0.01 -0.02 -0.01 -0.04 7.38 7.30 2j2mA1 PHE 374 HZ -0.01 -0.03 -0.00 -0.04 7.32 7.24 2j2mA1 LYS 375 H 0.11 0.10 -0.25 -0.55 8.42 7.83 2j2mA1 LYS 375 HA 0.06 0.20 0.80 -0.75 4.32 4.62 2j2mA1 LYS 375 HB2 0.02 -0.02 0.05 -0.04 1.87 1.89 2j2mA1 LYS 375 HB3 0.01 -0.01 0.14 -0.04 1.79 1.89 2j2mA1 LYS 375 HG2 0.16 -0.07 -0.23 -0.04 1.46 1.28 2j2mA1 LYS 375 HG3 0.02 0.12 0.01 -0.04 1.46 1.57 2j2mA1 LYS 375 HD2 0.05 -0.00 0.03 -0.04 1.69 1.72 2j2mA1 LYS 375 HD3 0.10 -0.02 -0.04 -0.04 1.68 1.68 2j2mA1 LYS 375 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.89 2j2mA1 LYS 375 HE3 -0.02 0.08 -0.00 -0.04 2.99 3.01 2j2mA1 GLN 376 H -0.01 0.42 -0.31 -0.55 8.47 8.01 2j2mA1 GLN 376 HA -0.02 -0.03 0.45 -0.75 4.36 4.01 2j2mA1 GLN 376 HB2 -0.03 0.11 0.13 -0.04 2.15 2.33 2j2mA1 GLN 376 HB3 -0.04 -0.03 0.03 -0.04 2.02 1.94 2j2mA1 GLN 376 HG2 -0.03 -0.07 -0.08 -0.04 2.40 2.19 2j2mA1 GLN 376 HG3 -0.03 0.25 -0.25 -0.04 2.39 2.32 2j2mA1 GLN 376 HE21 -0.00 -0.13 0.10 -0.04 6.97 6.89 2j2mA1 GLN 376 HE22 -0.01 0.03 0.01 -0.04 7.69 7.68 2j2mA1 GLN 377 H -0.04 0.14 0.22 -0.55 8.47 8.25 2j2mA1 GLN 377 HA -0.05 0.03 0.69 -0.75 4.36 4.28 2j2mA1 GLN 377 HB2 -0.07 0.09 0.18 -0.04 2.15 2.32 2j2mA1 GLN 377 HB3 -0.09 -0.10 0.11 -0.04 2.02 1.90 2j2mA1 GLN 377 HG2 -0.08 0.00 0.11 -0.04 2.40 2.39 2j2mA1 GLN 377 HG3 -0.06 0.09 0.12 -0.04 2.39 2.50 2j2mA1 GLN 377 HE21 -0.08 -0.25 -0.10 -0.04 6.97 6.50 2j2mA1 GLN 377 HE22 -0.06 0.09 0.04 -0.04 7.69 7.72 2j2mA1 THR 378 H -0.05 0.08 0.14 -0.55 8.28 7.90 2j2mA1 THR 378 HA -0.04 0.23 0.47 -0.75 4.39 4.29 2j2mA1 THR 378 HB -0.04 -0.05 0.05 -0.04 4.32 4.23 2j2mA1 THR 378 HG23 -0.04 0.06 -0.09 -0.04 1.22 1.10 2j2mA1 SER 379 H -0.07 0.04 -0.10 -0.55 8.46 7.79 2j2mA1 SER 379 HA -0.07 -0.03 0.42 -0.75 4.49 4.06 2j2mA1 SER 379 HB2 -0.10 0.01 0.09 -0.04 3.95 3.91 2j2mA1 SER 379 HB3 -0.10 0.16 -0.00 -0.04 3.93 3.94 2j2mA1 SER 380 H -0.06 0.06 0.19 -0.55 8.46 8.10 2j2mA1 SER 380 HA 0.01 0.19 0.43 -0.75 4.49 4.36 2j2mA1 SER 380 HB2 0.02 -0.01 0.11 -0.04 3.95 4.04 2j2mA1 SER 380 HB3 -0.01 0.05 0.12 -0.04 3.93 4.05 2j2mA1 VAL 381 H -0.08 -0.01 -0.28 -0.55 8.24 7.32 2j2mA1 VAL 381 HA 0.00 0.04 0.59 -0.75 4.13 4.02 2j2mA1 VAL 381 HB -0.10 0.02 0.13 -0.04 2.12 2.13 2j2mA1 VAL 381 HG13 -0.19 0.00 -0.02 -0.04 0.97 0.73 2j2mA1 VAL 381 HG23 -0.35 -0.03 0.02 -0.04 0.95 0.55 2j2mA1 ASN 382 H 0.19 0.26 0.15 -0.55 8.53 8.58 2j2mA1 ASN 382 HA 0.24 0.21 0.71 -0.75 4.76 5.16 2j2mA1 ASN 382 HB2 0.12 0.09 0.13 -0.04 2.88 3.19 2j2mA1 ASN 382 HB3 0.08 0.09 -0.13 -0.04 2.79 2.80 2j2mA1 ASN 382 HD21 0.08 -0.08 0.01 -0.04 7.03 7.00 2j2mA1 ASN 382 HD22 0.07 0.01 -0.02 -0.04 7.74 7.76 2j2mA1 TYR 383 H -0.21 0.15 -0.22 -0.55 8.29 7.46 2j2mA1 TYR 383 HA -0.11 0.18 0.85 -0.75 4.56 4.73 2j2mA1 TYR 383 HB2 -0.06 0.06 -0.02 -0.04 3.06 3.00 2j2mA1 TYR 383 HB3 -0.00 0.02 -0.13 -0.04 2.98 2.83 2j2mA1 TYR 383 HD2 0.00 0.13 -0.13 -0.04 7.15 7.11 2j2mA1 TYR 383 HE2 0.05 -0.02 0.06 -0.04 6.85 6.90 2j2mA1 GLU 384 H -0.26 0.26 0.12 -0.55 8.60 8.17 2j2mA1 GLU 384 HA -0.33 0.02 0.38 -0.75 4.29 3.60 2j2mA1 GLU 384 HB2 -1.65 0.02 -0.17 -0.04 2.09 0.25 2j2mA1 GLU 384 HB3 -0.39 -0.01 0.00 -0.04 1.99 1.55 2j2mA1 GLU 384 HG2 -0.20 -0.06 0.08 -0.04 2.34 2.12 2j2mA1 GLU 384 HG3 -0.13 0.13 0.00 -0.04 2.34 2.30 2j2mA1 PRO 385 HA -0.08 0.06 0.37 -0.51 4.44 4.28 2j2mA1 PRO 385 HB2 -0.00 0.06 -0.01 -0.04 2.28 2.29 2j2mA1 PRO 385 HB3 -0.02 0.02 0.12 -0.04 2.02 2.10 2j2mA1 PRO 385 HG2 0.02 0.00 0.03 -0.04 2.03 2.04 2j2mA1 PRO 385 HG3 -0.01 0.02 0.08 -0.04 2.03 2.08 2j2mA1 PRO 385 HD2 -0.01 0.14 0.49 -0.04 3.68 4.26 2j2mA1 PRO 385 HD3 -0.03 0.07 0.16 -0.04 3.65 3.81 2j2mA1 ASN 386 H -0.04 0.29 0.20 -0.55 8.53 8.44 2j2mA1 ASN 386 HA 0.14 0.13 0.47 -0.75 4.76 4.74 2j2mA1 ASN 386 HB2 -0.04 -0.20 0.18 -0.04 2.88 2.79 2j2mA1 ASN 386 HB3 -0.60 0.26 0.03 -0.04 2.79 2.44 2j2mA1 ASN 386 HD21 0.09 0.04 -0.05 -0.04 7.03 7.07 2j2mA1 ASN 386 HD22 -0.40 0.78 0.16 -0.04 7.74 8.24 2j2mA1 ARG 387 H -0.19 0.14 0.13 -0.55 8.46 7.99 2j2mA1 ARG 387 HA -0.12 0.18 0.52 -0.75 4.34 4.17 2j2mA1 ARG 387 HB2 -0.25 0.01 0.11 -0.04 1.90 1.74 2j2mA1 ARG 387 HB3 -0.19 0.01 0.06 -0.04 1.80 1.64 2j2mA1 ARG 387 HG2 -0.84 -0.03 0.07 -0.04 1.67 0.83 2j2mA1 ARG 387 HG3 -1.42 -0.00 -0.19 -0.04 1.67 0.01 2j2mA1 ARG 387 HD2 -0.41 -0.00 -0.02 -0.04 3.22 2.75 2j2mA1 ARG 387 HD3 -0.27 0.00 -0.01 -0.04 3.22 2.91 2j2mA1 TYR 388 H 0.01 0.08 -0.19 -0.55 8.29 7.63 2j2mA1 TYR 388 HA -0.00 0.10 0.54 -0.75 4.56 4.45 2j2mA1 TYR 388 HB2 -0.02 0.05 0.08 -0.04 3.06 3.12 2j2mA1 TYR 388 HB3 -0.01 -0.03 0.03 -0.04 2.98 2.93 2j2mA1 TYR 388 HD2 -0.03 0.03 0.02 -0.04 7.15 7.12 2j2mA1 TYR 388 HE2 0.04 0.04 0.00 -0.04 6.85 6.88 2j2mA1 GLN 389 H 0.09 0.13 0.21 -0.55 8.47 8.35 2j2mA1 GLN 389 HA 0.04 0.19 0.44 -0.75 4.36 4.28 2j2mA1 GLN 389 HB2 0.03 -0.03 0.16 -0.04 2.15 2.27 2j2mA1 GLN 389 HB3 0.03 0.02 -0.02 -0.04 2.02 2.01 2j2mA1 GLN 389 HG2 0.02 0.06 0.09 -0.04 2.40 2.52 2j2mA1 GLN 389 HG3 0.01 0.01 0.03 -0.04 2.39 2.39 2j2mA1 GLN 389 HE21 0.01 -0.02 0.00 -0.04 6.97 6.93 2j2mA1 GLN 389 HE22 0.01 0.04 0.03 -0.04 7.69 7.73 2j2mA1 ASP 390 H 0.08 -0.05 -0.12 -0.55 8.40 7.75 2j2mA1 ASP 390 HA 0.02 0.24 0.67 -0.75 4.63 4.80 2j2mA1 ASP 390 HB2 -0.00 0.04 0.13 -0.04 2.71 2.84 2j2mA1 ASP 390 HB3 0.02 -0.03 0.03 -0.04 2.70 2.67 2j2mA1 GLU 391 H 0.07 0.08 -0.46 -0.55 8.60 7.74 2j2mA1 GLU 391 HA -0.04 0.16 0.72 -0.75 4.29 4.38 2j2mA1 GLU 391 HB2 0.12 0.03 -0.03 -0.04 2.09 2.17 2j2mA1 GLU 391 HB3 0.04 0.13 0.06 -0.04 1.99 2.17 2j2mA1 GLU 391 HG2 0.00 -0.19 -0.10 -0.04 2.34 2.02 2j2mA1 GLU 391 HG3 -0.02 -0.03 -0.00 -0.04 2.34 2.25 2j2mA1 PRO 392 HA -0.01 0.03 0.40 -0.51 4.44 4.35 2j2mA1 PRO 392 HB2 -0.09 -0.05 -0.07 -0.04 2.28 2.02 2j2mA1 PRO 392 HB3 -0.08 0.15 -0.01 -0.04 2.02 2.04 2j2mA1 PRO 392 HG2 -0.45 0.01 -0.22 -0.04 2.03 1.33 2j2mA1 PRO 392 HG3 -0.17 0.03 -0.04 -0.04 2.03 1.80 2j2mA1 PRO 392 HD2 -0.31 0.10 0.07 -0.04 3.68 3.50 2j2mA1 PRO 392 HD3 -0.15 0.10 0.15 -0.04 3.65 3.70 2j2mA1 LYS 393 H 0.03 0.18 0.19 -0.55 8.42 8.27 2j2mA1 LYS 393 HA 0.08 0.12 0.92 -0.75 4.32 4.69 2j2mA1 LYS 393 HB2 0.03 -0.01 0.04 -0.04 1.87 1.89 2j2mA1 LYS 393 HB3 0.04 -0.03 0.09 -0.04 1.79 1.85 2j2mA1 LYS 393 HG2 0.05 0.26 -0.19 -0.04 1.46 1.54 2j2mA1 LYS 393 HG3 0.03 -0.04 -0.01 -0.04 1.46 1.40 2j2mA1 LYS 393 HD2 0.03 -0.09 -0.01 -0.04 1.69 1.58 2j2mA1 LYS 393 HD3 0.06 0.01 -0.02 -0.04 1.68 1.69 2j2mA1 LYS 393 HE2 0.10 -0.01 -0.36 -0.04 2.99 2.67 2j2mA1 LYS 393 HE3 0.06 0.06 -0.06 -0.04 2.99 3.00 2j2mA1 GLN 394 H 0.04 0.08 0.11 -0.55 8.47 8.16 2j2mA1 GLN 394 HA 0.04 0.08 0.51 -0.75 4.36 4.24 2j2mA1 GLN 394 HB2 0.04 -0.01 -0.02 -0.04 2.15 2.12 2j2mA1 GLN 394 HB3 0.03 0.03 0.08 -0.04 2.02 2.12 2j2mA1 GLN 394 HG2 0.02 -0.03 0.09 -0.04 2.40 2.45 2j2mA1 GLN 394 HG3 0.03 -0.01 -0.14 -0.04 2.39 2.23 2j2mA1 GLN 394 HE21 0.01 0.01 -0.01 -0.04 6.97 6.93 2j2mA1 GLN 394 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 2j2mA1 THR 395 H 0.07 0.18 0.06 -0.55 8.28 8.05 2j2mA1 THR 395 HA 0.08 0.20 0.80 -0.75 4.39 4.71 2j2mA1 THR 395 HB 0.31 -0.03 0.22 -0.04 4.32 4.78 2j2mA1 THR 395 HG23 0.20 -0.01 0.01 -0.04 1.22 1.37 2j2mA1 PRO 396 HA 0.04 0.04 0.28 -0.51 4.44 4.30 2j2mA1 PRO 396 HB2 0.00 0.03 0.03 -0.04 2.28 2.30 2j2mA1 PRO 396 HB3 0.01 0.04 0.07 -0.04 2.02 2.09 2j2mA1 PRO 396 HG2 0.01 0.05 0.05 -0.04 2.03 2.10 2j2mA1 PRO 396 HG3 0.02 0.04 0.01 -0.04 2.03 2.05 2j2mA1 PRO 396 HD2 0.03 0.10 0.16 -0.04 3.68 3.94 2j2mA1 PRO 396 HD3 0.04 0.38 -0.16 -0.04 3.65 3.87 2j2mA1 GLU 397 H 0.00 0.10 -0.33 -0.55 8.60 7.82 2j2mA1 GLU 397 HA -0.09 0.08 0.42 -0.75 4.29 3.95 2j2mA1 GLU 397 HB2 -0.17 0.03 0.12 -0.04 2.09 2.02 2j2mA1 GLU 397 HB3 -0.09 -0.06 0.07 -0.04 1.99 1.88 2j2mA1 GLU 397 HG2 -0.23 0.01 -0.15 -0.04 2.34 1.93 2j2mA1 GLU 397 HG3 -0.60 0.04 -0.17 -0.04 2.34 1.56 2j2mA1 TYR 398 H 0.12 0.58 -0.30 -0.55 8.29 8.13 2j2mA1 TYR 398 HA -0.02 0.18 0.82 -0.75 4.56 4.78 2j2mA1 TYR 398 HB2 -0.00 0.14 0.15 -0.04 3.06 3.30 2j2mA1 TYR 398 HB3 -0.01 -0.03 0.11 -0.04 2.98 3.01 2j2mA1 TYR 398 HD2 -0.01 -0.01 0.06 -0.04 7.15 7.14 2j2mA1 TYR 398 HE2 -0.01 -0.03 0.02 -0.04 6.85 6.79 2j2mA1 THR 399 H 0.04 0.37 -0.17 -0.55 8.28 7.97 2j2mA1 THR 399 HA 0.05 -0.05 0.42 -0.75 4.39 4.06 2j2mA1 THR 399 HB 0.00 0.02 0.01 -0.04 4.32 4.32 2j2mA1 THR 399 HG23 0.01 0.03 -0.06 -0.04 1.22 1.16 2j2mA1 GLU 400 H 0.03 0.06 0.16 -0.55 8.60 8.30 2j2mA1 GLU 400 HA 0.01 0.03 0.51 -0.75 4.29 4.09 2j2mA1 GLU 400 HB2 0.02 -0.05 0.11 -0.04 2.09 2.12 2j2mA1 GLU 400 HB3 0.02 0.05 0.04 -0.04 1.99 2.05 2j2mA1 GLU 400 HG2 0.03 0.03 0.06 -0.04 2.34 2.42 2j2mA1 GLU 400 HG3 0.03 0.07 0.08 -0.04 2.34 2.48 2j2mA1 ASP 401 H -0.01 0.07 0.12 -0.55 8.40 8.04 2j2mA1 ASP 401 HA -0.01 0.02 0.32 -0.75 4.63 4.20 2j2mA1 ASP 401 HB2 -0.01 0.10 0.09 -0.04 2.71 2.85 2j2mA1 ASP 401 HB3 -0.02 -0.00 0.08 -0.04 2.70 2.72 2j2mA1 THR 402 H -0.01 0.03 0.14 -0.55 8.28 7.89 2j2mA1 THR 402 HA -0.01 0.05 0.54 -0.75 4.39 4.22 2j2mA1 THR 402 HB -0.01 0.04 0.06 -0.04 4.32 4.37 2j2mA1 THR 402 HG23 -0.01 -0.00 0.07 -0.04 1.22 1.24 2j2mA1 GLN 403 H -0.01 0.15 0.18 -0.55 8.47 8.24 2j2mA1 GLN 403 HA -0.01 0.18 0.72 -0.75 4.36 4.49 2j2mA1 GLN 403 HB2 -0.01 -0.05 0.04 -0.04 2.15 2.09 2j2mA1 GLN 403 HB3 -0.01 0.03 0.06 -0.04 2.02 2.06 2j2mA1 GLN 403 HG2 -0.00 0.14 -0.33 -0.04 2.40 2.17 2j2mA1 GLN 403 HG3 -0.00 -0.02 -0.07 -0.04 2.39 2.26 2j2mA1 GLN 403 HE21 -0.02 -0.08 -0.04 -0.04 6.97 6.80 2j2mA1 GLN 403 HE22 -0.01 0.08 -0.18 -0.04 7.69 7.55 2j2mA1 PRO 404 HA -0.11 0.08 0.50 -0.51 4.44 4.39 2j2mA1 PRO 404 HB2 -0.53 -0.02 -0.12 -0.04 2.28 1.57 2j2mA1 PRO 404 HB3 -0.11 0.04 0.05 -0.04 2.02 1.96 2j2mA1 PRO 404 HG2 0.13 0.00 0.05 -0.04 2.03 2.17 2j2mA1 PRO 404 HG3 0.03 0.06 0.05 -0.04 2.03 2.13 2j2mA1 PRO 404 HD2 0.01 0.07 0.17 -0.04 3.68 3.89 2j2mA1 PRO 404 HD3 -0.00 0.17 0.21 -0.04 3.65 3.98 2j2mA1 LEU 405 H -0.19 0.21 0.22 -0.55 8.37 8.07 2j2mA1 LEU 405 HA -0.17 0.14 0.81 -0.75 4.35 4.38 2j2mA1 LEU 405 HB2 -0.07 0.01 0.15 -0.04 1.64 1.69 2j2mA1 LEU 405 HB3 -0.04 -0.03 0.03 -0.04 1.64 1.55 2j2mA1 LEU 405 HG -0.05 0.06 -0.09 -0.04 1.64 1.53 2j2mA1 LEU 405 HD13 -0.01 0.00 -0.00 -0.04 0.93 0.88 2j2mA1 LEU 405 HD23 -0.02 0.03 0.06 -0.04 0.89 0.91 2j2mA1 HIS 406 H -0.00 0.13 0.10 -0.55 8.41 8.10 2j2mA1 HIS 406 HA 0.02 0.24 0.83 -0.75 4.63 4.97 2j2mA1 HIS 406 HB2 0.03 -0.01 0.03 -0.04 3.26 3.27 2j2mA1 HIS 406 HB3 0.02 0.01 0.15 -0.04 3.20 3.33 2j2mA1 HIS 406 HD2 0.05 0.01 -0.08 -0.04 6.97 6.90 2j2mA1 HIS 406 HE1 0.03 0.01 -0.07 -0.04 7.75 7.67 2j2mA1 ASP 407 H 0.04 0.21 0.02 -0.55 8.40 8.12 2j2mA1 ASP 407 HA 0.05 0.18 0.88 -0.75 4.63 4.99 2j2mA1 ASP 407 HB2 0.06 -0.05 -0.12 -0.04 2.71 2.57 2j2mA1 ASP 407 HB3 0.05 0.14 0.03 -0.04 2.70 2.88 2j2mA1 ASP 408 H 0.02 0.14 0.15 -0.55 8.40 8.16 2j2mA1 ASP 408 HA 0.02 0.21 0.78 -0.75 4.63 4.88 2j2mA1 ASP 408 HB2 0.01 0.02 0.14 -0.04 2.71 2.84 2j2mA1 ASP 408 HB3 0.01 0.02 0.03 -0.04 2.70 2.73 2j2mA1 ILE 409 H 0.02 0.08 -0.05 -0.55 8.25 7.75 2j2mA1 ILE 409 HA -0.04 0.24 0.93 -0.75 4.18 4.55 2j2mA1 ILE 409 HB -0.05 0.09 -0.06 -0.04 1.89 1.83 2j2mA1 ILE 409 HG12 0.01 -0.13 -0.01 -0.04 1.49 1.31 2j2mA1 ILE 409 HG13 0.01 0.00 -0.15 -0.04 1.21 1.04 2j2mA1 ILE 409 HG23 -0.03 -0.00 -0.14 -0.04 0.93 0.72 2j2mA1 ILE 409 HD13 -0.00 0.01 -0.10 -0.04 0.88 0.75 2j2mA1 HIS 410 H -0.21 0.22 0.15 -0.55 8.41 8.02 2j2mA1 HIS 410 HA 0.01 0.18 0.73 -0.75 4.63 4.79 2j2mA1 HIS 410 HB2 0.00 0.01 0.12 -0.04 3.26 3.35 2j2mA1 HIS 410 HB3 0.00 0.04 -0.00 -0.04 3.20 3.19 2j2mA1 HIS 410 HD2 -0.00 0.02 -0.02 -0.04 6.97 6.93 2j2mA1 HIS 410 HE1 -0.00 -0.00 -0.04 -0.04 7.75 7.66 2j2mA1 GLY 411 H 0.12 0.32 0.15 -0.55 8.43 8.47 2j2mA1 GLY 411 HA2 0.11 0.06 0.25 -0.51 4.01 3.92 2j2mA1 GLY 411 HA3 0.03 0.12 0.47 -0.51 4.01 4.11 2j2mA1 ARG 412 H 0.03 0.19 0.09 -0.55 8.46 8.21 2j2mA1 ARG 412 HA 0.03 0.08 0.63 -0.75 4.34 4.32 2j2mA1 ARG 412 HB2 0.02 0.02 0.21 -0.04 1.90 2.11 2j2mA1 ARG 412 HB3 0.02 0.00 0.05 -0.04 1.80 1.83 2j2mA1 ARG 412 HG2 0.03 0.02 -0.02 -0.04 1.67 1.65 2j2mA1 ARG 412 HG3 0.03 -0.02 0.06 -0.04 1.67 1.70 2j2mA1 ARG 412 HD2 0.02 0.02 0.03 -0.04 3.22 3.24 2j2mA1 ARG 412 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 2j2mA1 LEU 413 H 0.03 0.25 0.09 -0.55 8.37 8.20 2j2mA1 LEU 413 HA 0.02 0.15 0.80 -0.75 4.35 4.56 2j2mA1 LEU 413 HB2 0.03 0.01 0.04 -0.04 1.64 1.67 2j2mA1 LEU 413 HB3 0.02 0.05 -0.11 -0.04 1.64 1.56 2j2mA1 LEU 413 HG 0.02 -0.19 -0.91 -0.04 1.64 0.52 2j2mA1 LEU 413 HD13 0.03 0.00 -0.25 -0.04 0.93 0.67 2j2mA1 LEU 413 HD23 0.01 0.03 -0.19 -0.04 0.89 0.70 2j2mA1 GLU 414 H 0.02 0.16 0.09 -0.55 8.60 8.32 2j2mA1 GLU 414 HA 0.02 -0.03 0.44 -0.75 4.29 3.96 2j2mA1 GLU 414 HB2 0.02 -0.02 0.10 -0.04 2.09 2.14 2j2mA1 GLU 414 HB3 0.02 0.06 0.06 -0.04 1.99 2.08 2j2mA1 GLU 414 HG2 0.02 0.10 -0.03 -0.04 2.34 2.39 2j2mA1 GLU 414 HG3 0.02 -0.08 0.04 -0.04 2.34 2.27 2j2mA1 ILE 415 H 0.02 0.02 0.15 -0.55 8.25 7.90 2j2mA1 ILE 415 HA 0.02 0.09 0.37 -0.75 4.18 3.91 2j2mA1 ILE 415 HB 0.02 -0.06 0.04 -0.04 1.89 1.85 2j2mA1 ILE 415 HG12 0.02 -0.04 0.04 -0.04 1.49 1.47 2j2mA1 ILE 415 HG13 0.02 0.01 -0.29 -0.04 1.21 0.91 2j2mA1 ILE 415 HG23 0.02 0.01 0.06 -0.04 0.93 0.98 2j2mA1 ILE 415 HD13 0.03 0.01 -0.05 -0.04 0.88 0.83 2j2mA1 GLU 416 H 0.02 0.07 0.13 -0.55 8.60 8.27 2j2mA1 GLU 416 HA 0.02 0.17 0.42 -0.75 4.29 4.14 2j2mA1 GLU 416 HB2 0.01 -0.05 0.15 -0.04 2.09 2.16 2j2mA1 GLU 416 HB3 0.01 0.03 -0.01 -0.04 1.99 1.98 2j2mA1 GLU 416 HG2 0.01 0.05 0.00 -0.04 2.34 2.37 2j2mA1 GLU 416 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 2j2mA1 LYS 417 H 0.02 0.08 -0.02 -0.55 8.42 7.95 2j2mA1 LYS 417 HA 0.03 0.21 1.10 -0.75 4.32 4.91 2j2mA1 LYS 417 HB2 0.05 0.07 -0.06 -0.04 1.87 1.89 2j2mA1 LYS 417 HB3 0.03 0.06 -0.02 -0.04 1.79 1.82 2j2mA1 LYS 417 HG2 0.01 -0.04 0.01 -0.04 1.46 1.39 2j2mA1 LYS 417 HG3 0.02 -0.10 -0.01 -0.04 1.46 1.33 2j2mA1 LYS 417 HD2 0.02 -0.02 -0.40 -0.04 1.69 1.25 2j2mA1 LYS 417 HD3 0.02 0.02 -0.09 -0.04 1.68 1.59 2j2mA1 LYS 417 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 2j2mA1 LYS 417 HE3 -0.03 -0.05 -0.08 -0.04 2.99 2.78 2j2mA1 THR 418 H 0.03 0.28 0.11 -0.55 8.28 8.14 2j2mA1 THR 418 HA 0.02 0.08 0.32 -0.75 4.39 4.05 2j2mA1 THR 418 HB -0.03 -0.03 -0.04 -0.04 4.32 4.19 2j2mA1 THR 418 HG23 0.01 0.04 -0.09 -0.04 1.22 1.14 2j2mA1 ASN 419 H 0.03 0.08 0.04 -0.55 8.53 8.14 2j2mA1 ASN 419 HA 0.05 -0.02 0.39 -0.75 4.76 4.44 2j2mA1 ASN 419 HB2 0.09 0.14 -0.00 -0.04 2.88 3.07 2j2mA1 ASN 419 HB3 0.10 0.11 -0.03 -0.04 2.79 2.93 2j2mA1 ASN 419 HD21 0.16 -0.10 -0.01 -0.04 7.03 7.03 2j2mA1 ASN 419 HD22 0.20 0.50 -0.05 -0.04 7.74 8.34 2j2mA1 ASN 420 H -0.14 0.09 -0.09 -0.55 8.53 7.84 2j2mA1 ASN 420 HA -0.23 0.19 0.36 -0.75 4.76 4.32 2j2mA1 ASN 420 HB2 -0.92 -0.02 -0.01 -0.04 2.88 1.89 2j2mA1 ASN 420 HB3 -1.00 0.17 -0.20 -0.04 2.79 1.72 2j2mA1 ASN 420 HD21 -0.10 0.01 -0.04 -0.04 7.03 6.85 2j2mA1 ASN 420 HD22 -0.20 0.07 -0.06 -0.04 7.74 7.50 2j2mA1 PHE 421 H -0.01 -0.11 -0.26 -0.55 8.34 7.41 2j2mA1 PHE 421 HA 0.03 0.22 0.80 -0.75 4.62 4.91 2j2mA1 PHE 421 HB2 0.04 0.02 -0.12 -0.04 3.15 3.05 2j2mA1 PHE 421 HB3 0.03 0.08 -0.32 -0.04 3.06 2.81 2j2mA1 PHE 421 HD2 0.01 0.03 -0.05 -0.04 7.28 7.23 2j2mA1 PHE 421 HE2 -0.01 0.00 0.00 -0.04 7.38 7.33 2j2mA1 PHE 421 HZ -0.01 0.03 -0.02 -0.04 7.32 7.29 2j2mA1 GLY 422 H 0.13 -0.04 -0.03 -0.55 8.43 7.94 2j2mA1 GLY 422 HA2 0.14 0.20 0.36 -0.51 4.01 4.20 2j2mA1 GLY 422 HA3 0.13 0.06 0.34 -0.51 4.01 4.03 2j2mA1 GLN 423 H 0.08 0.22 -0.02 -0.55 8.47 8.21 2j2mA1 GLN 423 HA 0.15 0.09 0.48 -0.75 4.36 4.33 2j2mA1 GLN 423 HB2 -0.03 0.03 0.07 -0.04 2.15 2.18 2j2mA1 GLN 423 HB3 -0.02 0.10 0.06 -0.04 2.02 2.12 2j2mA1 GLN 423 HG2 0.10 -0.00 -0.12 -0.04 2.40 2.34 2j2mA1 GLN 423 HG3 0.15 -0.02 0.06 -0.04 2.39 2.54 2j2mA1 GLN 423 HE21 -1.39 0.33 0.06 -0.04 6.97 5.93 2j2mA1 GLN 423 HE22 -0.62 -0.06 -0.00 -0.04 7.69 6.97 2j2mA1 ALA 424 H 0.09 0.11 -0.30 -0.55 8.40 7.76 2j2mA1 ALA 424 HA 0.15 0.05 0.43 -0.75 4.34 4.22 2j2mA1 ALA 424 HB3 0.15 0.04 -0.02 -0.04 1.41 1.53 2j2mA1 GLY 425 H 0.15 0.51 -0.22 -0.55 8.43 8.32 2j2mA1 GLY 425 HA2 0.15 -0.07 0.29 -0.51 4.01 3.87 2j2mA1 GLY 425 HA3 0.12 0.36 0.39 -0.51 4.01 4.36 2j2mA1 GLU 426 H 0.13 0.44 -0.01 -0.55 8.60 8.61 2j2mA1 GLU 426 HA 0.04 -0.01 0.44 -0.75 4.29 4.01 2j2mA1 GLU 426 HB2 0.22 0.10 0.18 -0.04 2.09 2.55 2j2mA1 GLU 426 HB3 -0.01 -0.05 0.01 -0.04 1.99 1.90 2j2mA1 GLU 426 HG2 0.08 -0.03 0.06 -0.04 2.34 2.40 2j2mA1 GLU 426 HG3 0.12 0.20 0.13 -0.04 2.34 2.76 2j2mA1 VAL 427 H 0.18 0.71 -0.13 -0.55 8.24 8.45 2j2mA1 VAL 427 HA 0.04 -0.04 0.40 -0.75 4.13 3.78 2j2mA1 VAL 427 HB 0.11 0.12 0.13 -0.04 2.12 2.45 2j2mA1 VAL 427 HG13 -0.27 -0.01 -0.19 -0.04 0.97 0.46 2j2mA1 VAL 427 HG23 0.37 0.01 -0.05 -0.04 0.95 1.25 2j2mA1 TYR 428 H 0.20 0.59 -0.12 -0.55 8.29 8.40 2j2mA1 TYR 428 HA -0.01 -0.01 0.39 -0.75 4.56 4.19 2j2mA1 TYR 428 HB2 0.06 0.00 0.09 -0.04 3.06 3.18 2j2mA1 TYR 428 HB3 0.03 0.15 0.18 -0.04 2.98 3.30 2j2mA1 TYR 428 HD2 0.00 0.04 -0.05 -0.04 7.15 7.10 2j2mA1 TYR 428 HE2 -0.02 -0.02 -0.02 -0.04 6.85 6.75 2j2mA1 ARG 429 H 0.09 0.57 -0.07 -0.55 8.46 8.49 2j2mA1 ARG 429 HA -0.16 0.01 0.38 -0.75 4.34 3.81 2j2mA1 ARG 429 HB2 0.02 0.07 0.12 -0.04 1.90 2.07 2j2mA1 ARG 429 HB3 -0.02 -0.05 0.08 -0.04 1.80 1.76 2j2mA1 ARG 429 HG2 0.07 -0.06 0.03 -0.04 1.67 1.68 2j2mA1 ARG 429 HG3 0.20 0.04 0.04 -0.04 1.67 1.91 2j2mA1 ARG 429 HD2 0.03 -0.03 0.02 -0.04 3.22 3.20 2j2mA1 ARG 429 HD3 0.07 -0.09 0.03 -0.04 3.22 3.18 2j2mA1 ARG 430 H -0.09 0.50 -0.25 -0.55 8.46 8.07 2j2mA1 ARG 430 HA -0.12 0.02 0.62 -0.75 4.34 4.10 2j2mA1 ARG 430 HB2 -0.15 0.14 0.14 -0.04 1.90 1.99 2j2mA1 ARG 430 HB3 -0.15 -0.11 0.07 -0.04 1.80 1.57 2j2mA1 ARG 430 HG2 -0.24 -0.08 0.03 -0.04 1.67 1.34 2j2mA1 ARG 430 HG3 -0.20 0.01 -0.01 -0.04 1.67 1.43 2j2mA1 ARG 430 HD2 -0.50 0.09 -0.28 -0.04 3.22 2.49 2j2mA1 ARG 430 HD3 -0.69 -0.07 -0.05 -0.04 3.22 2.36 2j2mA1 MET 431 H -0.18 0.45 -0.39 -0.55 8.47 7.80 2j2mA1 MET 431 HA -0.09 -0.04 0.48 -0.75 4.52 4.12 2j2mA1 MET 431 HB2 -0.30 0.21 0.13 -0.04 2.15 2.15 2j2mA1 MET 431 HB3 -0.13 -0.18 0.04 -0.04 2.03 1.72 2j2mA1 MET 431 HG2 -0.07 -0.11 0.00 -0.04 2.63 2.41 2j2mA1 MET 431 HG3 -0.11 0.32 0.07 -0.04 2.56 2.81 2j2mA1 MET 431 HE3 0.01 0.05 -0.13 -0.04 2.10 1.99 2j2mA1 THR 432 H -0.07 0.05 0.20 -0.55 8.28 7.91 2j2mA1 THR 432 HA -0.07 0.22 0.64 -0.75 4.39 4.43 2j2mA1 THR 432 HB -0.04 -0.05 0.20 -0.04 4.32 4.39 2j2mA1 THR 432 HG23 -0.04 0.06 0.11 -0.04 1.22 1.31 2j2mA1 GLU 433 H -0.05 0.19 0.18 -0.55 8.60 8.37 2j2mA1 GLU 433 HA -0.06 0.15 0.42 -0.75 4.29 4.05 2j2mA1 GLU 433 HB2 -0.03 0.06 0.16 -0.04 2.09 2.24 2j2mA1 GLU 433 HB3 -0.02 -0.02 0.09 -0.04 1.99 1.99 2j2mA1 GLU 433 HG2 -0.01 -0.01 -0.05 -0.04 2.34 2.23 2j2mA1 GLU 433 HG3 -0.02 0.03 0.06 -0.04 2.34 2.37 2j2mA1 GLU 434 H -0.02 0.10 -0.08 -0.55 8.60 8.05 2j2mA1 GLU 434 HA -0.00 0.10 0.45 -0.75 4.29 4.08 2j2mA1 GLU 434 HB2 -0.01 -0.00 0.05 -0.04 2.09 2.08 2j2mA1 GLU 434 HB3 0.00 0.06 0.05 -0.04 1.99 2.06 2j2mA1 GLU 434 HG2 -0.00 0.08 0.04 -0.04 2.34 2.42 2j2mA1 GLU 434 HG3 -0.01 -0.01 0.06 -0.04 2.34 2.34 2j2mA1 GLU 435 H -0.03 0.07 -0.25 -0.55 8.60 7.85 2j2mA1 GLU 435 HA 0.01 -0.00 0.50 -0.75 4.29 4.04 2j2mA1 GLU 435 HB2 -0.06 0.13 0.15 -0.04 2.09 2.27 2j2mA1 GLU 435 HB3 -0.02 0.08 0.06 -0.04 1.99 2.06 2j2mA1 GLU 435 HG2 0.00 -0.01 0.06 -0.04 2.34 2.36 2j2mA1 GLU 435 HG3 -0.02 -0.09 0.07 -0.04 2.34 2.26 2j2mA1 GLN 436 H -0.07 0.51 -0.16 -0.55 8.47 8.21 2j2mA1 GLN 436 HA 0.01 0.07 0.40 -0.75 4.36 4.08 2j2mA1 GLN 436 HB2 -0.08 0.04 0.11 -0.04 2.15 2.17 2j2mA1 GLN 436 HB3 -0.01 -0.06 0.01 -0.04 2.02 1.92 2j2mA1 GLN 436 HG2 -0.80 0.01 0.02 -0.04 2.40 1.59 2j2mA1 GLN 436 HG3 -0.29 0.15 -0.09 -0.04 2.39 2.12 2j2mA1 GLN 436 HE21 -0.41 -0.10 -0.06 -0.04 6.97 6.36 2j2mA1 GLN 436 HE22 -1.01 0.43 -0.05 -0.04 7.69 7.01 2j2mA1 MET 437 H 0.00 0.47 -0.21 -0.55 8.47 8.19 2j2mA1 MET 437 HA 0.03 0.06 0.63 -0.75 4.52 4.48 2j2mA1 MET 437 HB2 0.01 0.04 0.10 -0.04 2.15 2.25 2j2mA1 MET 437 HB3 0.01 0.04 0.15 -0.04 2.03 2.19 2j2mA1 MET 437 HG2 0.01 -0.01 0.01 -0.04 2.63 2.59 2j2mA1 MET 437 HG3 0.01 -0.02 -0.08 -0.04 2.56 2.43 2j2mA1 MET 437 HE3 0.01 0.00 -0.00 -0.04 2.10 2.07 2j2mA1 ALA 438 H 0.02 0.59 0.03 -0.55 8.40 8.49 2j2mA1 ALA 438 HA 0.04 -0.02 0.54 -0.75 4.34 4.15 2j2mA1 ALA 438 HB3 0.04 0.01 0.15 -0.04 1.41 1.57 2j2mA1 LEU 439 H 0.06 0.57 -0.13 -0.55 8.37 8.32 2j2mA1 LEU 439 HA 0.12 0.40 0.36 -0.75 4.35 4.48 2j2mA1 LEU 439 HB2 0.10 0.00 0.04 -0.04 1.64 1.74 2j2mA1 LEU 439 HB3 0.11 0.05 0.13 -0.04 1.64 1.89 2j2mA1 LEU 439 HG -0.01 -0.05 -0.32 -0.04 1.64 1.22 2j2mA1 LEU 439 HD13 0.17 0.05 -0.16 -0.04 0.93 0.94 2j2mA1 LEU 439 HD23 0.20 -0.01 -0.04 -0.04 0.89 1.00 2j2mA1 LEU 440 H 0.04 0.39 -0.22 -0.55 8.37 8.04 2j2mA1 LEU 440 HA -0.07 0.01 0.44 -0.75 4.35 3.98 2j2mA1 LEU 440 HB2 0.01 0.05 0.15 -0.04 1.64 1.81 2j2mA1 LEU 440 HB3 0.01 0.07 0.19 -0.04 1.64 1.88 2j2mA1 LEU 440 HG -0.02 0.00 -0.17 -0.04 1.64 1.41 2j2mA1 LEU 440 HD13 -0.07 -0.00 -0.09 -0.04 0.93 0.73 2j2mA1 LEU 440 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.83 2j2mA1 ASN 441 H 0.02 0.55 -0.08 -0.55 8.53 8.47 2j2mA1 ASN 441 HA 0.00 0.01 0.45 -0.75 4.76 4.47 2j2mA1 ASN 441 HB2 0.03 0.07 0.18 -0.04 2.88 3.12 2j2mA1 ASN 441 HB3 0.03 -0.06 0.08 -0.04 2.79 2.79 2j2mA1 ASN 441 HD21 0.01 -0.09 0.03 -0.04 7.03 6.95 2j2mA1 ASN 441 HD22 0.02 0.68 0.20 -0.04 7.74 8.60 2j2mA1 ASN 442 H 0.07 0.60 -0.13 -0.55 8.53 8.52 2j2mA1 ASN 442 HA 0.13 -0.03 0.53 -0.75 4.76 4.63 2j2mA1 ASN 442 HB2 0.25 0.31 0.23 -0.04 2.88 3.62 2j2mA1 ASN 442 HB3 0.42 -0.07 0.05 -0.04 2.79 3.14 2j2mA1 ASN 442 HD21 0.10 -0.29 -0.24 -0.04 7.03 6.57 2j2mA1 ASN 442 HD22 0.17 0.65 -0.23 -0.04 7.74 8.28 2j2mA1 LEU 443 H -0.02 0.67 -0.00 -0.55 8.37 8.47 2j2mA1 LEU 443 HA -0.40 0.00 0.48 -0.75 4.35 3.69 2j2mA1 LEU 443 HB2 -0.21 0.11 0.17 -0.04 1.64 1.67 2j2mA1 LEU 443 HB3 -0.33 -0.07 -0.05 -0.04 1.64 1.14 2j2mA1 LEU 443 HG -0.13 0.13 0.04 -0.04 1.64 1.64 2j2mA1 LEU 443 HD13 -0.71 -0.03 -0.12 -0.04 0.93 0.04 2j2mA1 LEU 443 HD23 -0.25 -0.02 -0.04 -0.04 0.89 0.54 2j2mA1 VAL 444 H -0.09 0.63 -0.12 -0.55 8.24 8.11 2j2mA1 VAL 444 HA -0.13 0.02 0.43 -0.75 4.13 3.70 2j2mA1 VAL 444 HB -0.04 0.06 0.16 -0.04 2.12 2.26 2j2mA1 VAL 444 HG13 -0.04 -0.00 -0.11 -0.04 0.97 0.77 2j2mA1 VAL 444 HG23 -0.08 0.01 0.01 -0.04 0.95 0.85 2j2mA1 ASN 445 H -0.00 0.57 -0.02 -0.55 8.53 8.53 2j2mA1 ASN 445 HA 0.01 -0.01 0.40 -0.75 4.76 4.40 2j2mA1 ASN 445 HB2 0.04 -0.02 0.16 -0.04 2.88 3.03 2j2mA1 ASN 445 HB3 0.08 0.12 0.16 -0.04 2.79 3.11 2j2mA1 ASN 445 HD21 0.05 -0.03 0.02 -0.04 7.03 7.03 2j2mA1 ASN 445 HD22 0.03 -0.01 0.07 -0.04 7.74 7.79 2j2mA1 ASP 446 H 0.02 0.40 -0.46 -0.55 8.40 7.81 2j2mA1 ASP 446 HA 0.18 0.05 0.65 -0.75 4.63 4.75 2j2mA1 ASP 446 HB2 0.19 0.26 0.15 -0.04 2.71 3.27 2j2mA1 ASP 446 HB3 0.22 -0.01 0.02 -0.04 2.70 2.90 2j2mA1 LEU 447 H -0.19 0.78 0.11 -0.55 8.37 8.52 2j2mA1 LEU 447 HA -0.46 -0.03 0.54 -0.75 4.35 3.64 2j2mA1 LEU 447 HB2 -0.30 0.11 0.13 -0.04 1.64 1.53 2j2mA1 LEU 447 HB3 -0.36 -0.08 0.08 -0.04 1.64 1.24 2j2mA1 LEU 447 HG -0.95 0.02 0.02 -0.04 1.64 0.70 2j2mA1 LEU 447 HD13 -0.46 -0.01 -0.10 -0.04 0.93 0.32 2j2mA1 LEU 447 HD23 -1.49 -0.03 -0.01 -0.04 0.89 -0.68 2j2mA1 GLN 448 H -0.08 0.61 -0.18 -0.55 8.47 8.27 2j2mA1 GLN 448 HA -0.07 0.06 0.47 -0.75 4.36 4.07 2j2mA1 GLN 448 HB2 -0.02 0.11 0.05 -0.04 2.15 2.24 2j2mA1 GLN 448 HB3 -0.02 -0.06 -0.01 -0.04 2.02 1.90 2j2mA1 GLN 448 HG2 -0.04 -0.02 0.04 -0.04 2.40 2.34 2j2mA1 GLN 448 HG3 -0.06 0.02 -0.01 -0.04 2.39 2.31 2j2mA1 GLN 448 HE21 -0.02 -0.08 -0.03 -0.04 6.97 6.80 2j2mA1 GLN 448 HE22 -0.03 0.11 -0.02 -0.04 7.69 7.71 2j2mA1 GLN 449 H -0.03 0.29 -0.65 -0.55 8.47 7.54 2j2mA1 GLN 449 HA 0.00 0.13 0.65 -0.75 4.36 4.38 2j2mA1 GLN 449 HB2 0.06 0.22 0.12 -0.04 2.15 2.50 2j2mA1 GLN 449 HB3 0.04 -0.15 0.13 -0.04 2.02 2.00 2j2mA1 GLN 449 HG2 0.04 -0.05 0.03 -0.04 2.40 2.37 2j2mA1 GLN 449 HG3 0.04 0.09 -0.03 -0.04 2.39 2.45 2j2mA1 GLN 449 HE21 0.14 -0.11 0.01 -0.04 6.97 6.97 2j2mA1 GLN 449 HE22 0.10 0.54 0.19 -0.04 7.69 8.47 2j2mA1 VAL 450 H -0.07 0.36 -0.25 -0.55 8.24 7.73 2j2mA1 VAL 450 HA 0.02 -0.08 0.62 -0.75 4.13 3.93 2j2mA1 VAL 450 HB -0.12 0.20 0.10 -0.04 2.12 2.26 2j2mA1 VAL 450 HG13 0.03 -0.08 -0.01 -0.04 0.97 0.87 2j2mA1 VAL 450 HG23 -0.14 0.03 -0.10 -0.04 0.95 0.69 2j2mA1 ARG 451 H 0.10 0.04 0.17 -0.55 8.46 8.22 2j2mA1 ARG 451 HA -0.04 0.29 0.70 -0.75 4.34 4.53 2j2mA1 ARG 451 HB2 0.02 -0.05 0.06 -0.04 1.90 1.89 2j2mA1 ARG 451 HB3 -0.09 -0.01 0.14 -0.04 1.80 1.81 2j2mA1 ARG 451 HG2 -0.02 0.10 -0.15 -0.04 1.67 1.56 2j2mA1 ARG 451 HG3 0.02 0.10 -0.13 -0.04 1.67 1.61 2j2mA1 ARG 451 HD2 -0.01 -0.02 0.01 -0.04 3.22 3.16 2j2mA1 ARG 451 HD3 0.01 0.05 0.01 -0.04 3.22 3.24 2j2mA1 HIS 452 H 0.11 0.13 -0.06 -0.55 8.41 8.05 2j2mA1 HIS 452 HA -0.01 0.20 0.94 -0.75 4.63 5.01 2j2mA1 HIS 452 HB2 0.00 0.01 0.15 -0.04 3.26 3.38 2j2mA1 HIS 452 HB3 -0.00 -0.09 0.04 -0.04 3.20 3.10 2j2mA1 HIS 452 HD2 0.00 -0.03 0.03 -0.04 6.97 6.93 2j2mA1 HIS 452 HE1 0.01 0.03 -0.04 -0.04 7.75 7.70 2j2mA1 GLU 453 H -0.01 0.24 0.09 -0.55 8.60 8.37 2j2mA1 GLU 453 HA -0.03 0.15 0.29 -0.75 4.29 3.95 2j2mA1 GLU 453 HB2 -0.02 0.08 0.11 -0.04 2.09 2.22 2j2mA1 GLU 453 HB3 -0.01 -0.03 0.09 -0.04 1.99 2.00 2j2mA1 GLU 453 HG2 -0.03 -0.06 -0.09 -0.04 2.34 2.11 2j2mA1 GLU 453 HG3 -0.03 0.09 0.01 -0.04 2.34 2.37 2j2mA1 ASN 454 H 0.02 0.11 -0.10 -0.55 8.53 8.02 2j2mA1 ASN 454 HA -0.07 0.07 0.34 -0.75 4.76 4.36 2j2mA1 ASN 454 HB2 0.01 0.01 0.09 -0.04 2.88 2.94 2j2mA1 ASN 454 HB3 0.01 0.01 0.01 -0.04 2.79 2.78 2j2mA1 ASN 454 HD21 -0.06 0.04 -0.01 -0.04 7.03 6.96 2j2mA1 ASN 454 HD22 -0.05 -0.02 0.01 -0.04 7.74 7.64 2j2mA1 THR 455 H 0.04 0.12 -0.34 -0.55 8.28 7.54 2j2mA1 THR 455 HA 0.02 0.07 0.43 -0.75 4.39 4.16 2j2mA1 THR 455 HB 0.05 0.11 0.10 -0.04 4.32 4.54 2j2mA1 THR 455 HG23 0.13 0.03 -0.27 -0.04 1.22 1.07 2j2mA1 VAL 456 H -0.04 0.34 -0.08 -0.55 8.24 7.91 2j2mA1 VAL 456 HA -0.18 0.03 0.45 -0.75 4.13 3.68 2j2mA1 VAL 456 HB -0.08 0.04 0.11 -0.04 2.12 2.14 2j2mA1 VAL 456 HG13 -0.14 0.01 -0.12 -0.04 0.97 0.68 2j2mA1 VAL 456 HG23 -0.11 0.05 -0.02 -0.04 0.95 0.83 2j2mA1 LEU 457 H -0.09 0.60 -0.04 -0.55 8.37 8.30 2j2mA1 LEU 457 HA -0.12 0.01 0.34 -0.75 4.35 3.82 2j2mA1 LEU 457 HB2 -0.14 0.06 0.05 -0.04 1.64 1.57 2j2mA1 LEU 457 HB3 -0.21 0.10 0.07 -0.04 1.64 1.56 2j2mA1 LEU 457 HG -0.26 -0.00 -0.05 -0.04 1.64 1.28 2j2mA1 LEU 457 HD13 -0.97 -0.01 -0.07 -0.04 0.93 -0.16 2j2mA1 LEU 457 HD23 -0.35 -0.01 -0.06 -0.04 0.89 0.43 2j2mA1 LEU 458 H -0.09 0.62 -0.18 -0.55 8.37 8.18 2j2mA1 LEU 458 HA -0.09 -0.02 0.40 -0.75 4.35 3.89 2j2mA1 LEU 458 HB2 -0.04 0.22 0.18 -0.04 1.64 1.96 2j2mA1 LEU 458 HB3 0.01 0.04 -0.00 -0.04 1.64 1.64 2j2mA1 LEU 458 HG -0.05 -0.04 0.00 -0.04 1.64 1.50 2j2mA1 LEU 458 HD13 0.00 -0.01 -0.16 -0.04 0.93 0.72 2j2mA1 LEU 458 HD23 -0.01 -0.01 0.04 -0.04 0.89 0.86 2j2mA1 ALA 459 H -0.03 0.61 -0.14 -0.55 8.40 8.29 2j2mA1 ALA 459 HA 0.08 -0.01 0.45 -0.75 4.34 4.11 2j2mA1 ALA 459 HB3 -0.12 0.02 0.11 -0.04 1.41 1.38 2j2mA1 ILE 460 H -0.03 0.64 -0.07 -0.55 8.25 8.24 2j2mA1 ILE 460 HA 0.15 -0.02 0.31 -0.75 4.18 3.87 2j2mA1 ILE 460 HB -0.04 0.08 0.08 -0.04 1.89 1.97 2j2mA1 ILE 460 HG12 -0.04 -0.07 -0.12 -0.04 1.49 1.21 2j2mA1 ILE 460 HG13 -0.07 0.12 0.01 -0.04 1.21 1.23 2j2mA1 ILE 460 HG23 0.02 -0.04 -0.04 -0.04 0.93 0.84 2j2mA1 ILE 460 HD13 -0.06 -0.01 -0.17 -0.04 0.88 0.60 2j2mA1 CYS 461 H -0.04 0.67 -0.13 -0.55 8.50 8.46 2j2mA1 CYS 461 HA -0.02 -0.04 0.48 -0.75 4.58 4.26 2j2mA1 CYS 461 HB2 -0.09 0.10 0.16 -0.04 2.97 3.10 2j2mA1 CYS 461 HB3 -0.10 -0.05 0.00 -0.04 2.97 2.78 2j2mA1 ASN 462 H -0.02 0.71 -0.08 -0.55 8.53 8.59 2j2mA1 ASN 462 HA -0.18 -0.04 0.45 -0.75 4.76 4.23 2j2mA1 ASN 462 HB2 -0.10 0.14 0.21 -0.04 2.88 3.08 2j2mA1 ASN 462 HB3 0.09 -0.08 0.04 -0.04 2.79 2.80 2j2mA1 ASN 462 HD21 0.08 0.30 0.14 -0.04 7.03 7.51 2j2mA1 ASN 462 HD22 0.07 -0.07 0.02 -0.04 7.74 7.71 2j2mA1 PHE 463 H 0.00 0.62 -0.06 -0.55 8.34 8.35 2j2mA1 PHE 463 HA 0.08 -0.01 0.48 -0.75 4.62 4.41 2j2mA1 PHE 463 HB2 0.00 0.12 0.09 -0.04 3.15 3.32 2j2mA1 PHE 463 HB3 -0.04 -0.10 -0.08 -0.04 3.06 2.80 2j2mA1 PHE 463 HD2 0.03 0.01 -0.12 -0.04 7.28 7.16 2j2mA1 PHE 463 HE2 0.21 -0.01 -0.12 -0.04 7.38 7.42 2j2mA1 PHE 463 HZ 0.44 -0.01 -0.12 -0.04 7.32 7.58 2j2mA1 TYR 464 H 0.19 0.67 -0.16 -0.55 8.29 8.44 2j2mA1 TYR 464 HA -0.01 -0.03 0.34 -0.75 4.56 4.11 2j2mA1 TYR 464 HB2 -0.01 0.05 0.10 -0.04 3.06 3.15 2j2mA1 TYR 464 HB3 -0.06 0.14 0.16 -0.04 2.98 3.18 2j2mA1 TYR 464 HD2 -0.04 -0.01 -0.20 -0.04 7.15 6.87 2j2mA1 TYR 464 HE2 -0.01 -0.01 -0.05 -0.04 6.85 6.74 2j2mA1 ARG 465 H -0.03 0.61 -0.13 -0.55 8.46 8.36 2j2mA1 ARG 465 HA -0.04 -0.02 0.30 -0.75 4.34 3.83 2j2mA1 ARG 465 HB2 -0.78 0.19 0.07 -0.04 1.90 1.34 2j2mA1 ARG 465 HB3 -0.48 -0.14 -0.02 -0.04 1.80 1.11 2j2mA1 ARG 465 HG2 -0.18 -0.06 0.02 -0.04 1.67 1.40 2j2mA1 ARG 465 HG3 -0.23 0.23 0.07 -0.04 1.67 1.69 2j2mA1 ARG 465 HD2 -1.81 0.01 -0.02 -0.04 3.22 1.36 2j2mA1 ARG 465 HD3 -0.66 -0.10 -0.02 -0.04 3.22 2.41 2j2mA1 ALA 466 H 0.03 0.31 -0.51 -0.55 8.40 7.69 2j2mA1 ALA 466 HA 0.15 0.14 0.65 -0.75 4.34 4.52 2j2mA1 ALA 466 HB3 0.18 -0.01 0.04 -0.04 1.41 1.59 2j2mA1 ASP 467 H -0.05 0.74 0.07 -0.55 8.40 8.61 2j2mA1 ASP 467 HA -0.08 0.09 0.65 -0.75 4.63 4.54 2j2mA1 ASP 467 HB2 0.02 0.14 -0.07 -0.04 2.71 2.76 2j2mA1 ASP 467 HB3 -0.31 -0.04 0.11 -0.04 2.70 2.41 2j2mA1 ALA 468 H -0.24 0.16 0.13 -0.55 8.40 7.91 2j2mA1 ALA 468 HA -1.23 0.16 0.41 -0.75 4.34 2.93 2j2mA1 ALA 468 HB3 -0.38 0.02 0.09 -0.04 1.41 1.09 2j2mA1 SER 469 H -0.11 0.11 -0.08 -0.55 8.46 7.84 2j2mA1 SER 469 HA -0.02 0.09 0.48 -0.75 4.49 4.29 2j2mA1 SER 469 HB2 0.02 0.03 0.05 -0.04 3.95 4.02 2j2mA1 SER 469 HB3 -0.00 0.02 0.08 -0.04 3.93 3.99 2j2mA1 LEU 470 H -0.22 0.13 -0.21 -0.55 8.37 7.52 2j2mA1 LEU 470 HA -0.16 0.05 0.49 -0.75 4.35 3.97 2j2mA1 LEU 470 HB2 -1.24 -0.01 0.05 -0.04 1.64 0.41 2j2mA1 LEU 470 HB3 -0.46 0.18 0.06 -0.04 1.64 1.38 2j2mA1 LEU 470 HG -0.26 -0.00 -0.38 -0.04 1.64 0.96 2j2mA1 LEU 470 HD13 -0.23 -0.01 -0.01 -0.04 0.93 0.64 2j2mA1 LEU 470 HD23 -0.42 0.02 -0.07 -0.04 0.89 0.39 2j2mA1 GLY 471 H -0.11 0.52 -0.20 -0.55 8.43 8.09 2j2mA1 GLY 471 HA2 0.08 0.04 0.36 -0.51 4.01 3.98 2j2mA1 GLY 471 HA3 0.22 0.08 0.26 -0.51 4.01 4.06 2j2mA1 GLU 472 H 0.07 0.47 -0.18 -0.55 8.60 8.41 2j2mA1 GLU 472 HA 0.09 0.00 0.51 -0.75 4.29 4.14 2j2mA1 GLU 472 HB2 0.04 0.08 0.19 -0.04 2.09 2.36 2j2mA1 GLU 472 HB3 0.05 -0.05 -0.00 -0.04 1.99 1.95 2j2mA1 GLU 472 HG2 0.14 -0.06 0.02 -0.04 2.34 2.40 2j2mA1 GLU 472 HG3 0.27 0.16 0.07 -0.04 2.34 2.80 2j2mA1 LYS 473 H -0.00 0.58 -0.08 -0.55 8.42 8.36 2j2mA1 LYS 473 HA -0.00 -0.00 0.49 -0.75 4.32 4.06 2j2mA1 LYS 473 HB2 -0.03 0.11 0.20 -0.04 1.87 2.12 2j2mA1 LYS 473 HB3 -0.01 -0.04 0.04 -0.04 1.79 1.74 2j2mA1 LYS 473 HG2 0.01 -0.05 0.04 -0.04 1.46 1.42 2j2mA1 LYS 473 HG3 0.01 0.03 0.08 -0.04 1.46 1.54 2j2mA1 LYS 473 HD2 0.03 0.01 -0.14 -0.04 1.69 1.55 2j2mA1 LYS 473 HD3 0.04 -0.01 -0.01 -0.04 1.68 1.66 2j2mA1 LYS 473 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.94 2j2mA1 LYS 473 HE3 0.03 -0.02 -0.04 -0.04 2.99 2.92 2j2mA1 LEU 474 H -0.04 0.63 -0.09 -0.55 8.37 8.32 2j2mA1 LEU 474 HA -0.07 0.02 0.40 -0.75 4.35 3.93 2j2mA1 LEU 474 HB2 -0.04 0.10 0.13 -0.04 1.64 1.79 2j2mA1 LEU 474 HB3 -0.08 -0.02 -0.06 -0.04 1.64 1.43 2j2mA1 LEU 474 HG -0.17 0.04 0.01 -0.04 1.64 1.48 2j2mA1 LEU 474 HD13 -0.27 -0.01 -0.12 -0.04 0.93 0.48 2j2mA1 LEU 474 HD23 -0.21 -0.00 -0.06 -0.04 0.89 0.58 2j2mA1 SER 475 H -0.00 0.49 -0.22 -0.55 8.46 8.18 2j2mA1 SER 475 HA -0.02 0.01 0.48 -0.75 4.49 4.20 2j2mA1 SER 475 HB2 0.01 0.00 0.17 -0.04 3.95 4.09 2j2mA1 SER 475 HB3 0.02 0.13 0.25 -0.04 3.93 4.29 2j2mA1 GLU 476 H -0.01 0.52 -0.16 -0.55 8.60 8.41 2j2mA1 GLU 476 HA -0.01 -0.02 0.45 -0.75 4.29 3.96 2j2mA1 GLU 476 HB2 -0.00 0.11 0.21 -0.04 2.09 2.36 2j2mA1 GLU 476 HB3 -0.01 -0.04 -0.00 -0.04 1.99 1.90 2j2mA1 GLU 476 HG2 0.00 -0.07 0.01 -0.04 2.34 2.24 2j2mA1 GLU 476 HG3 0.01 0.10 0.02 -0.04 2.34 2.43 2j2mA1 ALA 477 H -0.02 0.59 -0.02 -0.55 8.40 8.40 2j2mA1 ALA 477 HA -0.02 -0.01 0.34 -0.75 4.34 3.90 2j2mA1 ALA 477 HB3 -0.04 -0.02 0.09 -0.04 1.41 1.41 2j2mA1 LEU 478 H -0.04 0.16 -0.72 -0.55 8.37 7.23 2j2mA1 LEU 478 HA -0.05 0.20 0.61 -0.75 4.35 4.36 2j2mA1 LEU 478 HB2 -0.06 0.37 0.07 -0.04 1.64 1.98 2j2mA1 LEU 478 HB3 -0.06 -0.10 -0.12 -0.04 1.64 1.32 2j2mA1 LEU 478 HG -0.11 -0.04 -0.08 -0.04 1.64 1.38 2j2mA1 LEU 478 HD13 -0.09 -0.01 -0.12 -0.04 0.93 0.68 2j2mA1 LEU 478 HD23 -0.14 -0.02 -0.09 -0.04 0.89 0.60 2j2mA1 ASN 479 H -0.03 0.07 0.05 -0.55 8.53 8.08 2j2mA1 ASN 479 HA -0.02 0.21 0.22 -0.75 4.76 4.42 2j2mA1 ASN 479 HB2 -0.01 -0.10 0.15 -0.04 2.88 2.88 2j2mA1 ASN 479 HB3 -0.01 0.01 0.08 -0.04 2.79 2.82 2j2mA1 ASN 479 HD21 -0.01 -0.09 0.01 -0.04 7.03 6.89 2j2mA1 ASN 479 HD22 -0.01 0.02 0.09 -0.04 7.74 7.79 2j2mA1 VAL 480 H -0.02 0.56 0.14 -0.55 8.24 8.36 2j2mA1 VAL 480 HA -0.01 0.13 0.84 -0.75 4.13 4.33 2j2mA1 VAL 480 HB -0.04 -0.01 0.00 -0.04 2.12 2.03 2j2mA1 VAL 480 HG13 -0.03 -0.03 -0.23 -0.04 0.97 0.64 2j2mA1 VAL 480 HG23 -0.04 0.01 -0.33 -0.04 0.95 0.55 2j2mA1 ASP 481 H 0.02 0.17 0.06 -0.55 8.40 8.10 2j2mA1 ASP 481 HA 0.00 0.11 0.71 -0.75 4.63 4.69 2j2mA1 ASP 481 HB2 0.01 -0.10 0.06 -0.04 2.71 2.63 2j2mA1 ASP 481 HB3 0.00 0.07 0.03 -0.04 2.70 2.76 2j2mA1 ILE 482 H -0.01 0.19 0.21 -0.55 8.25 8.10 2j2mA1 ILE 482 HA 0.13 0.17 0.65 -0.75 4.18 4.38 2j2mA1 ILE 482 HB -0.13 0.01 0.04 -0.04 1.89 1.77 2j2mA1 ILE 482 HG12 -0.04 0.05 0.09 -0.04 1.49 1.55 2j2mA1 ILE 482 HG13 -0.12 -0.03 -0.14 -0.04 1.21 0.88 2j2mA1 ILE 482 HG23 -0.06 0.04 -0.10 -0.04 0.93 0.78 2j2mA1 ILE 482 HD13 -0.22 0.01 -0.14 -0.04 0.88 0.49 2j2mA1 LYS 483 H -0.01 0.01 -0.09 -0.55 8.42 7.78 2j2mA1 LYS 483 HA -0.07 0.08 0.35 -0.75 4.32 3.93 2j2mA1 LYS 483 HB2 -0.02 -0.04 0.07 -0.04 1.87 1.83 2j2mA1 LYS 483 HB3 -0.04 0.06 -0.11 -0.04 1.79 1.66 2j2mA1 LYS 483 HG2 -0.02 0.03 0.01 -0.04 1.46 1.43 2j2mA1 LYS 483 HG3 -0.02 -0.03 0.02 -0.04 1.46 1.39 2j2mA1 LYS 483 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.63 2j2mA1 LYS 483 HD3 -0.01 0.01 -0.02 -0.04 1.68 1.63 2j2mA1 LYS 483 HE2 0.00 -0.00 -0.00 -0.04 2.99 2.95 2j2mA1 LYS 483 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.91 2j2mA1 PRO 484 HA -0.17 0.06 0.37 -0.51 4.44 4.19 2j2mA1 PRO 484 HB2 -0.67 0.05 -0.13 -0.04 2.28 1.48 2j2mA1 PRO 484 HB3 -0.33 0.02 0.02 -0.04 2.02 1.69 2j2mA1 PRO 484 HG2 -0.06 0.08 -0.03 -0.04 2.03 1.98 2j2mA1 PRO 484 HG3 -0.09 0.02 -0.01 -0.04 2.03 1.91 2j2mA1 PRO 484 HD2 0.05 0.19 -0.43 -0.04 3.68 3.45 2j2mA1 PRO 484 HD3 -0.02 0.00 -0.05 -0.04 3.65 3.54 2j2mA1 PHE 485 H 0.08 0.21 -0.67 -0.55 8.34 7.41 2j2mA1 PHE 485 HA -0.05 0.13 0.54 -0.75 4.62 4.48 2j2mA1 PHE 485 HB2 -0.09 0.11 0.06 -0.04 3.15 3.18 2j2mA1 PHE 485 HB3 -0.07 -0.03 0.02 -0.04 3.06 2.95 2j2mA1 PHE 485 HD2 -0.05 0.02 -0.05 -0.04 7.28 7.17 2j2mA1 PHE 485 HE2 -0.03 0.01 -0.05 -0.04 7.38 7.27 2j2mA1 PHE 485 HZ -0.02 -0.03 -0.06 -0.04 7.32 7.17