============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 95 rings ring int. center anis. iso. TRP 10 1.040 53.771 8.759 58.928 -99.200 -91.000 TRP6 10 1.020 53.458 9.567 56.727 -99.200 -91.000 TYR 17 0.840 62.881 8.381 66.131 -99.200 -91.000 PHE 27 1.000 45.762 3.538 72.386 -99.200 -91.000 HIS 39 0.900 62.594 7.934 62.118 -99.200 -91.000 PHE 47 1.000 48.783 14.508 56.897 -99.200 -91.000 PHE 61 1.000 52.799 13.543 67.386 -99.200 -91.000 TRP 62 1.040 56.099 20.315 60.539 -99.200 -91.000 TRP6 62 1.020 57.916 18.900 59.994 -99.200 -91.000 HIS 64 0.900 51.985 27.087 65.502 -99.200 -91.000 PHE 67 1.000 49.547 20.040 62.357 -99.200 -91.000 TYR 70 0.840 49.739 19.386 56.722 -99.200 -91.000 PHE 85 1.000 42.903 16.480 76.606 -99.200 -91.000 TYR 90 0.840 50.215 26.495 80.330 -99.200 -91.000 PHE 92 1.000 50.802 29.511 75.120 -99.200 -91.000 TRP 94 1.040 43.336 23.871 74.186 -99.200 -91.000 TRP6 94 1.020 43.216 21.807 73.040 -99.200 -91.000 TYR 99 0.840 42.713 27.427 58.474 -99.200 -91.000 TYR 106 0.840 43.687 16.034 70.629 -99.200 -91.000 TYR 117 0.840 76.686 29.953 77.403 -99.200 -91.000 TRP 129 1.040 72.663 38.197 66.038 -99.200 -91.000 TRP6 129 1.020 73.181 36.167 64.931 -99.200 -91.000 PHE 149 1.000 72.876 30.197 62.494 -99.200 -91.000 TYR 155 0.840 62.498 26.860 63.845 -99.200 -91.000 PHE 156 1.000 67.706 25.437 62.799 -99.200 -91.000 TRP 158 1.040 61.574 34.924 60.906 -99.200 -91.000 TRP6 158 1.020 61.279 36.187 58.927 -99.200 -91.000 TYR 167 0.840 56.020 42.942 57.923 -99.200 -91.000 PHE 169 1.000 52.282 35.509 55.009 -99.200 -91.000 TYR 171 0.840 47.676 39.806 64.578 -99.200 -91.000 TYR 176 0.840 49.017 36.379 61.375 -99.200 -91.000 PHE 194 1.000 76.245 40.953 61.715 -99.200 -91.000 HIS 203 0.900 84.274 36.577 61.136 -99.200 -91.000 TYR 210 0.840 69.760 19.738 63.587 -99.200 -91.000 PHE 217 1.000 77.603 23.648 71.605 -99.200 -91.000 TRP 230 1.040 65.279 20.107 68.039 -99.200 -91.000 TRP6 230 1.020 63.729 21.888 67.924 -99.200 -91.000 TRP 232 1.040 68.201 22.072 75.153 -99.200 -91.000 TRP6 232 1.020 66.308 22.671 76.439 -99.200 -91.000 TYR 242 0.840 73.864 21.684 77.344 -99.200 -91.000 PHE 250 1.000 71.355 43.184 62.608 -99.200 -91.000 PHE 258 1.000 57.442 33.686 62.177 -99.200 -91.000 PHE 279 1.000 49.277 7.635 71.293 -99.200 -91.000 TYR 283 0.840 46.627 5.109 76.988 -99.200 -91.000 TYR 307 0.840 56.353 16.542 82.181 -99.200 -91.000 PHE 339 1.000 57.999 33.808 56.094 -99.200 -91.000 TRP 340 1.040 58.014 28.328 57.346 -99.200 -91.000 TRP6 340 1.020 59.584 29.608 58.564 -99.200 -91.000 TYR 341 0.840 58.156 24.799 50.363 -99.200 -91.000 HIS 381 0.900 57.408 22.869 20.560 -99.200 -91.000 TRP 410 1.040 54.504 19.112 25.423 -99.200 -91.000 TRP6 410 1.020 56.778 19.259 26.040 -99.200 -91.000 TYR 419 0.840 52.539 20.246 35.385 -99.200 -91.000 HIS 429 0.900 51.523 21.964 9.151 -99.200 -91.000 HIS 431 0.900 57.173 29.525 7.308 -99.200 -91.000 PHE 432 1.000 58.315 30.573 11.381 -99.200 -91.000 PHE 444 1.000 42.294 10.830 15.328 -99.200 -91.000 TRP 450 1.040 53.172 31.557 10.028 -99.200 -91.000 TRP6 450 1.020 54.669 33.388 10.163 -99.200 -91.000 TRP 457 1.040 49.065 17.058 13.046 -99.200 -91.000 TRP6 457 1.020 51.192 16.705 12.074 -99.200 -91.000 PHE 468 1.000 41.755 19.358 6.721 -99.200 -91.000 HIS 471 0.900 42.752 29.209 4.247 -99.200 -91.000 PHE 480 1.000 39.067 18.860 15.132 -99.200 -91.000 TRP 499 1.040 39.138 23.705 5.441 -99.200 -91.000 TRP6 499 1.020 40.523 23.366 3.559 -99.200 -91.000 TYR 507 0.840 30.216 29.698 2.278 -99.200 -91.000 HIS 516 0.900 37.387 39.418 9.391 -99.200 -91.000 TRP 519 1.040 47.749 39.531 6.682 -99.200 -91.000 TRP6 519 1.020 49.698 40.024 7.924 -99.200 -91.000 PHE 525 1.000 33.461 25.819 14.886 -99.200 -91.000 TRP 539 1.040 46.995 41.299 11.840 -99.200 -91.000 TRP6 539 1.020 49.123 42.327 11.918 -99.200 -91.000 TRP 546 1.040 31.957 35.262 10.512 -99.200 -91.000 TRP6 546 1.020 31.639 36.336 8.428 -99.200 -91.000 HIS 560 0.900 40.221 45.524 19.914 -99.200 -91.000 TYR 563 0.840 48.547 43.774 15.277 -99.200 -91.000 TRP 588 1.040 33.997 42.534 21.548 -99.200 -91.000 TRP6 588 1.020 33.681 44.564 20.372 -99.200 -91.000 TYR 597 0.840 33.445 44.401 31.007 -99.200 -91.000 HIS 606 0.900 51.951 38.843 21.095 -99.200 -91.000 PHE 610 1.000 36.241 34.805 28.177 -99.200 -91.000 TYR 615 0.840 31.407 34.777 37.379 -99.200 -91.000 TRP 616 1.040 39.940 34.545 38.068 -99.200 -91.000 TRP6 616 1.020 41.626 33.146 38.957 -99.200 -91.000 HIS 623 0.900 55.352 45.459 28.454 -99.200 -91.000 TRP 628 1.040 42.280 42.902 33.491 -99.200 -91.000 TRP6 628 1.020 43.360 42.182 31.519 -99.200 -91.000 TYR 648 0.840 56.152 38.361 23.164 -99.200 -91.000 TRP 654 1.040 42.761 29.068 32.516 -99.200 -91.000 TRP6 654 1.020 43.807 29.041 34.635 -99.200 -91.000 PHE 662 1.000 49.211 22.421 31.221 -99.200 -91.000 TYR 665 0.840 55.891 32.572 28.824 -99.200 -91.000 TRP 673 1.040 52.076 30.414 34.201 -99.200 -91.000 TRP6 673 1.020 53.724 31.692 35.320 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3dm0A1 LYS 1 HA -0.02 0.03 0.10 -0.75 4.32 3.68 3dm0A1 ILE 2 H -0.02 -0.02 0.10 -0.55 8.25 7.76 3dm0A1 ILE 2 HA -0.04 0.33 0.60 -0.75 4.18 4.31 3dm0A1 GLU 3 H -0.02 -0.02 0.06 -0.55 8.60 8.07 3dm0A1 GLU 3 HA -0.01 0.01 0.24 -0.75 4.29 3.77 3dm0A1 GLU 3 HB2 -0.03 0.25 0.42 -0.04 2.09 2.69 3dm0A1 GLU 3 HB3 -0.02 -0.12 0.08 -0.04 1.99 1.89 3dm0A1 GLU 3 HG2 -0.01 -0.05 -0.23 -0.04 2.34 2.00 3dm0A1 GLU 3 HG3 -0.03 0.23 -0.79 -0.04 2.34 1.71 3dm0A1 GLU 4 H -0.01 0.04 0.07 -0.55 8.60 8.15 3dm0A1 GLU 4 HA -0.01 0.08 0.49 -0.75 4.29 4.09 3dm0A1 GLU 4 HB2 -0.01 0.04 0.09 -0.04 2.09 2.17 3dm0A1 GLU 4 HB3 -0.01 -0.05 0.20 -0.04 1.99 2.09 3dm0A1 GLU 4 HG2 -0.00 -0.02 -0.12 -0.04 2.34 2.16 3dm0A1 GLU 4 HG3 -0.00 0.05 -0.05 -0.04 2.34 2.30 3dm0A1 GLY 5 H 0.00 0.20 0.20 -0.55 8.43 8.28 3dm0A1 GLY 5 HA2 0.00 -0.01 0.33 -0.51 4.01 3.83 3dm0A1 GLY 5 HA3 -0.00 0.20 0.86 -0.51 4.01 4.56 3dm0A1 LYS 6 H -0.00 0.36 0.05 -0.55 8.42 8.28 3dm0A1 LYS 6 HA 0.01 0.17 0.81 -0.75 4.32 4.56 3dm0A1 LEU 7 H -0.02 0.61 0.24 -0.55 8.37 8.65 3dm0A1 LEU 7 HA -0.06 0.18 1.04 -0.75 4.35 4.76 3dm0A1 LEU 7 HB2 -0.14 0.05 0.06 -0.04 1.64 1.57 3dm0A1 LEU 7 HB3 -0.23 -0.04 -0.08 -0.04 1.64 1.25 3dm0A1 LEU 7 HG -0.02 0.01 -0.35 -0.04 1.64 1.24 3dm0A1 LEU 7 HD13 -0.38 0.00 -0.27 -0.04 0.93 0.25 3dm0A1 LEU 7 HD23 -0.07 0.02 -0.03 -0.04 0.89 0.77 3dm0A1 VAL 8 H -0.06 0.23 0.18 -0.55 8.24 8.04 3dm0A1 VAL 8 HA 0.01 0.20 0.98 -0.75 4.13 4.57 3dm0A1 VAL 8 HB -0.09 -0.05 0.25 -0.04 2.12 2.19 3dm0A1 VAL 8 HG13 0.09 0.01 -0.12 -0.04 0.97 0.90 3dm0A1 VAL 8 HG23 0.01 0.02 -0.05 -0.04 0.95 0.89 3dm0A1 ILE 9 H 0.07 0.94 0.48 -0.55 8.25 9.19 3dm0A1 ILE 9 HA 0.06 0.26 1.13 -0.75 4.18 4.88 3dm0A1 ILE 9 HB 0.07 -0.02 0.04 -0.04 1.89 1.94 3dm0A1 ILE 9 HG12 -0.03 -0.01 -0.22 -0.04 1.49 1.18 3dm0A1 ILE 9 HG13 -0.11 0.04 -0.35 -0.04 1.21 0.74 3dm0A1 ILE 9 HG23 0.32 -0.01 -0.18 -0.04 0.93 1.02 3dm0A1 ILE 9 HD13 -0.31 -0.01 -0.17 -0.04 0.88 0.36 3dm0A1 TRP 10 H 0.34 0.59 0.39 -0.55 7.97 8.73 3dm0A1 TRP 10 HA 0.05 0.41 1.16 -0.75 4.62 5.48 3dm0A1 TRP 10 HB2 0.09 0.01 0.25 -0.04 3.23 3.54 3dm0A1 TRP 10 HB3 0.08 -0.06 0.02 -0.04 3.23 3.23 3dm0A1 TRP 10 HD1 0.01 0.29 -0.51 -0.04 7.22 6.97 3dm0A1 TRP 10 HE1 -0.01 0.01 -0.13 -0.04 10.20 10.03 3dm0A1 TRP 10 HE3 0.08 -0.01 -0.01 -0.04 7.59 7.60 3dm0A1 TRP 10 HZ2 -0.01 0.03 -0.08 -0.04 7.44 7.33 3dm0A1 TRP 10 HZ3 0.05 -0.03 -0.10 -0.04 7.13 7.01 3dm0A1 TRP 10 HH2 -0.02 0.02 -0.08 -0.04 7.19 7.07 3dm0A1 ILE 11 H 0.16 0.63 0.37 -0.55 8.25 8.86 3dm0A1 ILE 11 HA 0.28 0.10 0.81 -0.75 4.18 4.63 3dm0A1 ILE 11 HB -0.27 0.03 -0.22 -0.04 1.89 1.39 3dm0A1 ILE 11 HG12 -0.04 0.11 -0.13 -0.04 1.49 1.39 3dm0A1 ILE 11 HG13 -0.00 -0.10 0.05 -0.04 1.21 1.12 3dm0A1 ILE 11 HG23 0.04 0.03 -0.20 -0.04 0.93 0.77 3dm0A1 ILE 11 HD13 -0.42 -0.00 -0.19 -0.04 0.88 0.22 3dm0A1 ASN 12 H 0.06 0.10 0.09 -0.55 8.53 8.23 3dm0A1 ASN 12 HA 0.10 0.14 0.52 -0.75 4.76 4.76 3dm0A1 ASN 12 HB2 -0.18 0.06 0.13 -0.04 2.88 2.85 3dm0A1 ASN 12 HB3 -0.31 -0.04 0.04 -0.04 2.79 2.44 3dm0A1 ASN 12 HD21 0.14 0.01 0.11 -0.04 7.03 7.25 3dm0A1 ASN 12 HD22 0.35 0.06 0.12 -0.04 7.74 8.23 3dm0A1 GLY 13 H -0.05 0.15 0.21 -0.55 8.43 8.20 3dm0A1 GLY 13 HA2 -0.23 0.14 0.40 -0.51 4.01 3.81 3dm0A1 GLY 13 HA3 -0.13 0.05 0.39 -0.51 4.01 3.80 3dm0A1 ASP 14 H -0.23 -0.05 -0.35 -0.55 8.40 7.22 3dm0A1 ASP 14 HA -0.11 0.21 0.61 -0.75 4.63 4.58 3dm0A1 ASP 14 HB2 -0.44 0.03 0.07 -0.04 2.71 2.33 3dm0A1 ASP 14 HB3 -0.41 -0.03 0.03 -0.04 2.70 2.25 3dm0A1 LYS 15 H -0.09 0.44 -0.31 -0.55 8.42 7.91 3dm0A1 LYS 15 HA -0.07 0.23 0.82 -0.75 4.32 4.54 3dm0A1 LYS 15 HB2 -0.11 0.08 0.00 -0.04 1.87 1.80 3dm0A1 LYS 15 HB3 -0.08 -0.01 -0.15 -0.04 1.79 1.51 3dm0A1 LYS 15 HG2 -0.13 -0.03 -0.08 -0.04 1.46 1.18 3dm0A1 LYS 15 HG3 -0.10 0.11 -0.05 -0.04 1.46 1.38 3dm0A1 LYS 15 HD2 -0.49 0.01 -0.45 -0.04 1.69 0.71 3dm0A1 LYS 15 HD3 -0.40 -0.11 -0.12 -0.04 1.68 1.01 3dm0A1 LYS 15 HE2 -0.34 -0.02 -0.08 -0.04 2.99 2.50 3dm0A1 LYS 15 HE3 -0.41 0.08 -0.09 -0.04 2.99 2.53 3dm0A1 GLY 16 H -0.05 0.23 0.03 -0.55 8.43 8.09 3dm0A1 GLY 16 HA2 -0.23 0.14 0.39 -0.51 4.01 3.81 3dm0A1 GLY 16 HA3 -0.08 0.10 0.42 -0.51 4.01 3.94 3dm0A1 TYR 17 H -0.36 0.69 0.10 -0.55 8.29 8.17 3dm0A1 TYR 17 HA -0.07 0.02 0.27 -0.75 4.56 4.03 3dm0A1 TYR 17 HB2 0.04 0.01 -0.09 -0.04 3.06 2.99 3dm0A1 TYR 17 HB3 -0.03 0.03 -0.12 -0.04 2.98 2.82 3dm0A1 TYR 17 HD2 -0.04 0.06 -0.16 -0.04 7.15 6.96 3dm0A1 TYR 17 HE2 -0.17 0.10 0.05 -0.04 6.85 6.79 3dm0A1 ASN 18 H -0.42 0.11 -0.30 -0.55 8.53 7.37 3dm0A1 ASN 18 HA 0.07 0.14 0.55 -0.75 4.76 4.76 3dm0A1 ASN 18 HB2 -0.17 -0.02 0.11 -0.04 2.88 2.76 3dm0A1 ASN 18 HB3 -0.03 0.06 -0.01 -0.04 2.79 2.77 3dm0A1 ASN 18 HD21 -0.08 0.03 0.00 -0.04 7.03 6.95 3dm0A1 ASN 18 HD22 -0.18 0.04 0.02 -0.04 7.74 7.57 3dm0A1 GLY 19 H -0.07 0.09 -0.04 -0.55 8.43 7.86 3dm0A1 GLY 19 HA2 0.01 0.06 0.36 -0.51 4.01 3.92 3dm0A1 GLY 19 HA3 -0.01 0.24 0.38 -0.51 4.01 4.12 3dm0A1 LEU 20 H -0.00 0.37 -0.38 -0.55 8.37 7.82 3dm0A1 LEU 20 HA 0.06 0.03 0.31 -0.75 4.35 4.00 3dm0A1 LEU 20 HB2 -0.06 -0.00 -0.04 -0.04 1.64 1.51 3dm0A1 LEU 20 HB3 0.02 0.09 -0.01 -0.04 1.64 1.70 3dm0A1 LEU 20 HG 0.12 0.00 -0.30 -0.04 1.64 1.41 3dm0A1 LEU 20 HD13 0.15 -0.01 -0.09 -0.04 0.93 0.94 3dm0A1 LEU 20 HD23 -0.24 -0.01 -0.18 -0.04 0.89 0.42 3dm0A1 ALA 21 H 0.07 0.43 -0.32 -0.55 8.40 8.04 3dm0A1 ALA 21 HA 0.08 -0.04 0.35 -0.75 4.34 3.98 3dm0A1 ALA 21 HB3 0.09 0.06 0.19 -0.04 1.41 1.71 3dm0A1 GLU 22 H 0.06 0.49 -0.31 -0.55 8.60 8.29 3dm0A1 GLU 22 HA 0.07 -0.01 0.39 -0.75 4.29 3.99 3dm0A1 GLU 22 HB2 0.05 0.23 0.18 -0.04 2.09 2.51 3dm0A1 GLU 22 HB3 0.06 -0.06 0.02 -0.04 1.99 1.97 3dm0A1 GLU 22 HG2 0.03 0.09 -0.02 -0.04 2.34 2.40 3dm0A1 GLU 22 HG3 0.03 -0.01 0.02 -0.04 2.34 2.34 3dm0A1 VAL 23 H 0.10 0.47 -0.06 -0.55 8.24 8.20 3dm0A1 VAL 23 HA 0.17 -0.03 0.30 -0.75 4.13 3.81 3dm0A1 VAL 23 HB 0.23 0.18 0.08 -0.04 2.12 2.56 3dm0A1 VAL 23 HG13 0.03 -0.03 -0.19 -0.04 0.97 0.74 3dm0A1 VAL 23 HG23 0.05 0.06 0.07 -0.04 0.95 1.09 3dm0A1 GLY 24 H 0.18 0.48 -0.50 -0.55 8.43 8.06 3dm0A1 GLY 24 HA2 0.18 -0.04 0.41 -0.51 4.01 4.05 3dm0A1 GLY 24 HA3 0.07 0.05 0.29 -0.51 4.01 3.91 3dm0A1 LYS 25 H 0.11 0.63 0.08 -0.55 8.42 8.68 3dm0A1 LYS 25 HA 0.07 -0.02 0.53 -0.75 4.32 4.15 3dm0A1 LYS 25 HB2 0.08 0.13 0.25 -0.04 1.87 2.29 3dm0A1 LYS 25 HB3 0.06 -0.07 0.04 -0.04 1.79 1.79 3dm0A1 LYS 25 HG2 0.05 -0.05 0.07 -0.04 1.46 1.48 3dm0A1 LYS 25 HG3 0.06 0.14 0.07 -0.04 1.46 1.69 3dm0A1 LYS 25 HD2 0.04 -0.02 0.01 -0.04 1.69 1.68 3dm0A1 LYS 25 HD3 0.04 -0.03 -0.00 -0.04 1.68 1.65 3dm0A1 LYS 25 HE2 0.06 0.02 -0.20 -0.04 2.99 2.83 3dm0A1 LYS 25 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.99 3dm0A1 LYS 26 H 0.16 0.56 -0.12 -0.55 8.42 8.46 3dm0A1 LYS 26 HA 0.13 0.01 0.42 -0.75 4.32 4.13 3dm0A1 LYS 26 HB2 0.14 -0.03 0.03 -0.04 1.87 1.97 3dm0A1 LYS 26 HB3 0.25 0.15 0.10 -0.04 1.79 2.25 3dm0A1 LYS 26 HG2 0.23 -0.02 -0.05 -0.04 1.46 1.57 3dm0A1 LYS 26 HG3 0.48 0.01 -0.30 -0.04 1.46 1.61 3dm0A1 LYS 26 HD2 0.15 -0.02 0.03 -0.04 1.69 1.81 3dm0A1 LYS 26 HD3 0.11 -0.01 0.02 -0.04 1.68 1.76 3dm0A1 LYS 26 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 3dm0A1 LYS 26 HE3 0.05 -0.02 -0.03 -0.04 2.99 2.95 3dm0A1 PHE 27 H 0.29 0.44 -0.28 -0.55 8.34 8.23 3dm0A1 PHE 27 HA -0.45 0.02 0.42 -0.75 4.62 3.86 3dm0A1 PHE 27 HB2 -0.02 0.03 0.11 -0.04 3.15 3.22 3dm0A1 PHE 27 HB3 -0.06 0.17 0.18 -0.04 3.06 3.31 3dm0A1 PHE 27 HD2 -1.01 0.07 -0.10 -0.04 7.28 6.20 3dm0A1 PHE 27 HE2 -0.14 -0.02 -0.18 -0.04 7.38 7.00 3dm0A1 PHE 27 HZ -0.04 -0.03 -0.01 -0.04 7.32 7.19 3dm0A1 GLU 28 H 0.12 0.56 -0.03 -0.55 8.60 8.70 3dm0A1 GLU 28 HA -0.11 -0.05 0.45 -0.75 4.29 3.83 3dm0A1 GLU 28 HB2 0.05 0.10 0.22 -0.04 2.09 2.43 3dm0A1 GLU 28 HB3 0.03 0.09 0.12 -0.04 1.99 2.19 3dm0A1 GLU 28 HG2 -0.01 -0.05 -0.29 -0.04 2.34 1.94 3dm0A1 GLU 28 HG3 -0.00 -0.02 -1.09 -0.04 2.34 1.19 3dm0A1 LYS 29 H 0.03 0.53 -0.24 -0.55 8.42 8.18 3dm0A1 LYS 29 HA -0.00 0.01 0.37 -0.75 4.32 3.93 3dm0A1 LYS 29 HB2 0.04 0.01 0.11 -0.04 1.87 1.99 3dm0A1 LYS 29 HB3 0.06 0.13 0.15 -0.04 1.79 2.09 3dm0A1 LYS 29 HG2 0.03 0.02 -0.24 -0.04 1.46 1.23 3dm0A1 LYS 29 HG3 0.02 -0.04 0.01 -0.04 1.46 1.41 3dm0A1 LYS 29 HD2 0.03 -0.04 -0.03 -0.04 1.69 1.61 3dm0A1 LYS 29 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.64 3dm0A1 LYS 29 HE2 0.05 -0.05 -0.01 -0.04 2.99 2.93 3dm0A1 LYS 29 HE3 0.08 0.05 0.05 -0.04 2.99 3.12 3dm0A1 ASP 30 H -0.00 0.39 -0.18 -0.55 8.40 8.06 3dm0A1 ASP 30 HA -0.01 0.08 0.57 -0.75 4.63 4.52 3dm0A1 ASP 30 HB2 0.10 0.06 0.08 -0.04 2.71 2.90 3dm0A1 ASP 30 HB3 0.08 -0.06 0.07 -0.04 2.70 2.75 3dm0A1 THR 31 H -0.26 0.36 -0.17 -0.55 8.28 7.66 3dm0A1 THR 31 HA -0.22 0.14 0.85 -0.75 4.39 4.42 3dm0A1 THR 31 HB -0.72 -0.02 0.07 -0.04 4.32 3.61 3dm0A1 THR 31 HG23 -0.30 -0.02 -0.14 -0.04 1.22 0.72 3dm0A1 GLY 32 H -0.15 0.86 0.24 -0.55 8.43 8.84 3dm0A1 GLY 32 HA2 -0.05 0.03 0.32 -0.51 4.01 3.80 3dm0A1 GLY 32 HA3 -0.06 0.09 0.68 -0.51 4.01 4.21 3dm0A1 ILE 33 H -0.16 0.04 -0.03 -0.55 8.25 7.55 3dm0A1 ILE 33 HA -0.02 0.21 1.00 -0.75 4.18 4.62 3dm0A1 ILE 33 HB -0.11 -0.07 -0.05 -0.04 1.89 1.62 3dm0A1 ILE 33 HG12 -0.01 0.26 0.04 -0.04 1.49 1.73 3dm0A1 ILE 33 HG13 -0.06 0.04 -0.36 -0.04 1.21 0.78 3dm0A1 ILE 33 HG23 0.10 -0.01 -0.26 -0.04 0.93 0.71 3dm0A1 ILE 33 HD13 0.02 -0.05 -0.11 -0.04 0.88 0.70 3dm0A1 LYS 34 H -0.00 0.21 0.16 -0.55 8.42 8.24 3dm0A1 LYS 34 HA 0.01 0.05 0.45 -0.75 4.32 4.08 3dm0A1 LYS 34 HB2 0.00 0.05 0.09 -0.04 1.87 1.98 3dm0A1 LYS 34 HB3 0.00 -0.05 0.08 -0.04 1.79 1.78 3dm0A1 LYS 34 HG2 0.01 -0.01 -0.08 -0.04 1.46 1.33 3dm0A1 LYS 34 HG3 0.01 0.03 -0.23 -0.04 1.46 1.23 3dm0A1 LYS 34 HD2 0.01 -0.00 0.01 -0.04 1.69 1.67 3dm0A1 LYS 34 HD3 0.01 0.01 -0.03 -0.04 1.68 1.63 3dm0A1 LYS 34 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 3dm0A1 LYS 34 HE3 0.02 0.05 -0.03 -0.04 2.99 2.99 3dm0A1 VAL 35 H 0.02 0.20 0.18 -0.55 8.24 8.09 3dm0A1 VAL 35 HA -0.07 0.20 1.05 -0.75 4.13 4.55 3dm0A1 VAL 35 HB -0.04 -0.06 0.12 -0.04 2.12 2.10 3dm0A1 VAL 35 HG13 -0.34 -0.02 -0.11 -0.04 0.97 0.47 3dm0A1 VAL 35 HG23 0.00 0.02 0.02 -0.04 0.95 0.95 3dm0A1 THR 36 H -0.03 0.73 0.32 -0.55 8.28 8.75 3dm0A1 THR 36 HA 0.01 0.16 0.97 -0.75 4.39 4.78 3dm0A1 THR 36 HB 0.03 -0.05 0.16 -0.04 4.32 4.42 3dm0A1 THR 36 HG23 0.04 -0.00 -0.17 -0.04 1.22 1.04 3dm0A1 VAL 37 H 0.03 0.23 0.13 -0.55 8.24 8.09 3dm0A1 VAL 37 HA 0.09 0.21 0.97 -0.75 4.13 4.64 3dm0A1 VAL 37 HB 0.08 0.00 0.16 -0.04 2.12 2.33 3dm0A1 VAL 37 HG13 0.10 0.01 -0.18 -0.04 0.97 0.86 3dm0A1 VAL 37 HG23 0.04 -0.00 -0.22 -0.04 0.95 0.72 3dm0A1 GLU 38 H 0.15 0.74 0.38 -0.55 8.60 9.33 3dm0A1 GLU 38 HA -0.25 0.15 0.91 -0.75 4.29 4.35 3dm0A1 GLU 38 HB2 -0.12 0.02 0.06 -0.04 2.09 2.01 3dm0A1 GLU 38 HB3 -0.28 -0.05 0.07 -0.04 1.99 1.69 3dm0A1 GLU 38 HG2 -0.05 0.04 -0.22 -0.04 2.34 2.08 3dm0A1 GLU 38 HG3 0.10 -0.00 -0.28 -0.04 2.34 2.11 3dm0A1 HIS 39 H -0.81 0.14 0.06 -0.55 8.41 7.25 3dm0A1 HIS 39 HA -0.22 0.24 0.96 -0.75 4.63 4.86 3dm0A1 HIS 39 HB2 -0.25 -0.14 0.12 -0.04 3.26 2.95 3dm0A1 HIS 39 HB3 -0.36 0.07 -0.11 -0.04 3.20 2.76 3dm0A1 HIS 39 HD2 -1.39 0.02 -0.12 -0.04 6.97 5.44 3dm0A1 HIS 39 HE1 -0.19 0.00 0.03 -0.04 7.75 7.55 3dm0A1 PRO 40 HA -0.30 0.07 0.38 -0.51 4.44 4.08 3dm0A1 PRO 40 HB2 -0.59 -0.05 -0.14 -0.04 2.28 1.47 3dm0A1 PRO 40 HB3 -0.51 0.08 0.05 -0.04 2.02 1.60 3dm0A1 PRO 40 HG2 -2.18 0.08 -0.02 -0.04 2.03 -0.13 3dm0A1 PRO 40 HG3 -0.84 0.06 -0.00 -0.04 2.03 1.20 3dm0A1 PRO 40 HD2 -0.61 0.06 0.03 -0.04 3.68 3.12 3dm0A1 PRO 40 HD3 -0.68 0.12 -0.44 -0.04 3.65 2.61 3dm0A1 ASP 41 H -0.16 0.18 0.15 -0.55 8.40 8.03 3dm0A1 ASP 41 HA -0.05 0.06 0.73 -0.75 4.63 4.61 3dm0A1 ASP 41 HB2 -0.08 0.04 0.16 -0.04 2.71 2.79 3dm0A1 ASP 41 HB3 -0.05 0.01 0.04 -0.04 2.70 2.67 3dm0A1 LYS 42 H -0.02 0.13 0.20 -0.55 8.42 8.17 3dm0A1 LYS 42 HA -0.08 -0.01 0.36 -0.75 4.32 3.84 3dm0A1 LYS 42 HB2 -0.06 0.25 0.21 -0.04 1.87 2.22 3dm0A1 LYS 42 HB3 -0.05 -0.01 0.17 -0.04 1.79 1.85 3dm0A1 LYS 42 HG2 -0.01 0.02 -0.03 -0.04 1.46 1.39 3dm0A1 LYS 42 HG3 -0.04 -0.20 -0.48 -0.04 1.46 0.70 3dm0A1 LYS 42 HD2 -0.02 0.01 -0.07 -0.04 1.69 1.56 3dm0A1 LYS 42 HD3 -0.04 0.08 -0.10 -0.04 1.68 1.58 3dm0A1 LYS 42 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.92 3dm0A1 LYS 42 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 3dm0A1 LEU 43 H -0.07 0.19 -0.20 -0.55 8.37 7.74 3dm0A1 LEU 43 HA -0.14 0.12 0.24 -0.75 4.35 3.81 3dm0A1 LEU 43 HB2 0.07 0.05 -0.02 -0.04 1.64 1.71 3dm0A1 LEU 43 HB3 -0.13 0.14 -0.09 -0.04 1.64 1.52 3dm0A1 LEU 43 HG 0.16 -0.19 -0.03 -0.04 1.64 1.53 3dm0A1 LEU 43 HD13 0.27 0.07 -0.37 -0.04 0.93 0.87 3dm0A1 LEU 43 HD23 0.27 0.01 -0.32 -0.04 0.89 0.81 3dm0A1 GLU 44 H -0.54 -0.01 -0.33 -0.55 8.60 7.18 3dm0A1 GLU 44 HA -0.35 0.15 0.37 -0.75 4.29 3.70 3dm0A1 GLU 44 HB2 -1.11 0.06 0.04 -0.04 2.09 1.04 3dm0A1 GLU 44 HB3 -2.51 -0.07 0.06 -0.04 1.99 -0.57 3dm0A1 GLU 44 HG2 -0.35 0.15 -0.40 -0.04 2.34 1.70 3dm0A1 GLU 44 HG3 -0.63 0.02 -0.08 -0.04 2.34 1.61 3dm0A1 GLU 45 H -0.15 0.25 -0.31 -0.55 8.60 7.85 3dm0A1 GLU 45 HA 0.01 0.19 0.73 -0.75 4.29 4.47 3dm0A1 GLU 45 HB2 -0.03 0.08 0.09 -0.04 2.09 2.19 3dm0A1 GLU 45 HB3 0.01 0.05 0.02 -0.04 1.99 2.03 3dm0A1 GLU 45 HG2 0.08 0.06 -0.05 -0.04 2.34 2.39 3dm0A1 GLU 45 HG3 -0.07 -0.18 -0.07 -0.04 2.34 1.97 3dm0A1 LYS 46 H -0.01 0.34 0.01 -0.55 8.42 8.20 3dm0A1 LYS 46 HA 0.02 0.08 0.47 -0.75 4.32 4.14 3dm0A1 LYS 46 HB2 0.08 -0.01 0.08 -0.04 1.87 1.99 3dm0A1 LYS 46 HB3 0.11 -0.02 0.02 -0.04 1.79 1.86 3dm0A1 LYS 46 HG2 -0.02 -0.01 0.01 -0.04 1.46 1.40 3dm0A1 LYS 46 HG3 -0.06 0.16 0.04 -0.04 1.46 1.56 3dm0A1 LYS 46 HD2 -0.23 -0.08 -0.09 -0.04 1.69 1.25 3dm0A1 LYS 46 HD3 -0.09 -0.01 -0.01 -0.04 1.68 1.52 3dm0A1 LYS 46 HE2 -0.07 -0.02 0.01 -0.04 2.99 2.86 3dm0A1 LYS 46 HE3 -0.10 0.28 0.05 -0.04 2.99 3.18 3dm0A1 PHE 47 H 0.23 0.43 -0.21 -0.55 8.34 8.24 3dm0A1 PHE 47 HA 0.00 -0.02 0.28 -0.75 4.62 4.12 3dm0A1 PHE 47 HB2 0.00 0.03 0.08 -0.04 3.15 3.23 3dm0A1 PHE 47 HB3 -0.38 0.09 0.04 -0.04 3.06 2.77 3dm0A1 PHE 47 HD2 -0.98 -0.01 -0.10 -0.04 7.28 6.15 3dm0A1 PHE 47 HE2 -0.42 0.04 -0.15 -0.04 7.38 6.81 3dm0A1 PHE 47 HZ -0.19 0.12 -0.10 -0.04 7.32 7.11 3dm0A1 PRO 48 HA -0.36 0.05 0.32 -0.51 4.44 3.94 3dm0A1 PRO 48 HB2 0.01 0.04 -0.04 -0.04 2.28 2.26 3dm0A1 PRO 48 HB3 0.10 -0.03 0.05 -0.04 2.02 2.10 3dm0A1 PRO 48 HG2 0.01 0.22 -0.02 -0.04 2.03 2.20 3dm0A1 PRO 48 HG3 0.13 -0.01 0.08 -0.04 2.03 2.19 3dm0A1 PRO 48 HD2 0.03 -0.16 -0.72 -0.04 3.68 2.79 3dm0A1 PRO 48 HD3 -0.05 0.13 0.04 -0.04 3.65 3.73 3dm0A1 GLN 49 H -0.08 0.24 -0.67 -0.55 8.47 7.40 3dm0A1 GLN 49 HA -0.07 0.06 0.47 -0.75 4.36 4.06 3dm0A1 GLN 49 HB2 -0.02 0.14 0.27 -0.04 2.15 2.50 3dm0A1 GLN 49 HB3 -0.03 -0.06 0.03 -0.04 2.02 1.91 3dm0A1 GLN 49 HG2 -0.02 -0.02 0.00 -0.04 2.40 2.32 3dm0A1 GLN 49 HG3 -0.02 0.18 0.06 -0.04 2.39 2.57 3dm0A1 GLN 49 HE21 -0.01 -0.09 -0.09 -0.04 6.97 6.73 3dm0A1 GLN 49 HE22 -0.00 0.14 -0.14 -0.04 7.69 7.65 3dm0A1 VAL 50 H -0.08 0.54 0.14 -0.55 8.24 8.29 3dm0A1 VAL 50 HA -0.08 -0.00 0.34 -0.75 4.13 3.63 3dm0A1 VAL 50 HB -0.07 -0.09 -0.18 -0.04 2.12 1.74 3dm0A1 VAL 50 HG13 0.09 0.00 0.02 -0.04 0.97 1.04 3dm0A1 VAL 50 HG23 -0.17 0.09 -0.06 -0.04 0.95 0.76 3dm0A1 ALA 51 H -0.50 0.71 -0.14 -0.55 8.40 7.93 3dm0A1 ALA 51 HA -0.36 0.35 0.35 -0.75 4.34 3.92 3dm0A1 ALA 51 HB3 -0.95 -0.04 0.02 -0.04 1.41 0.40 3dm0A1 ALA 52 H -0.22 0.35 -0.55 -0.55 8.40 7.44 3dm0A1 ALA 52 HA -0.11 0.07 0.46 -0.75 4.34 4.01 3dm0A1 ALA 52 HB3 -0.08 0.06 0.17 -0.04 1.41 1.53 3dm0A1 THR 53 H -0.10 0.31 -0.12 -0.55 8.28 7.82 3dm0A1 THR 53 HA -0.05 0.09 0.58 -0.75 4.39 4.25 3dm0A1 THR 53 HB -0.04 -0.05 0.16 -0.04 4.32 4.34 3dm0A1 THR 53 HG23 -0.05 0.02 0.02 -0.04 1.22 1.17 3dm0A1 GLY 54 H -0.12 0.32 -0.72 -0.55 8.43 7.36 3dm0A1 GLY 54 HA2 -0.09 0.03 0.28 -0.51 4.01 3.72 3dm0A1 GLY 54 HA3 -0.06 0.05 0.63 -0.51 4.01 4.13 3dm0A1 ASP 55 H -0.11 0.24 -0.22 -0.55 8.40 7.76 3dm0A1 ASP 55 HA -0.09 0.33 0.66 -0.75 4.63 4.79 3dm0A1 ASP 55 HB2 -0.07 -0.06 0.01 -0.04 2.71 2.54 3dm0A1 ASP 55 HB3 -0.05 -0.20 0.15 -0.04 2.70 2.56 3dm0A1 GLY 56 H -0.10 0.08 0.06 -0.55 8.43 7.92 3dm0A1 GLY 56 HA2 -0.36 -0.10 0.24 -0.51 4.01 3.28 3dm0A1 GLY 56 HA3 -0.41 0.18 0.66 -0.51 4.01 3.93 3dm0A1 PRO 57 HA -0.37 0.08 0.55 -0.51 4.44 4.19 3dm0A1 PRO 57 HB2 -0.51 0.16 0.05 -0.04 2.28 1.94 3dm0A1 PRO 57 HB3 -1.67 -0.06 -0.12 -0.04 2.02 0.13 3dm0A1 PRO 57 HG2 -0.43 0.03 -0.25 -0.04 2.03 1.34 3dm0A1 PRO 57 HG3 -1.35 -0.05 -0.04 -0.04 2.03 0.55 3dm0A1 PRO 57 HD2 -0.73 0.12 0.13 -0.04 3.68 3.16 3dm0A1 PRO 57 HD3 -3.14 0.04 0.07 -0.04 3.65 0.58 3dm0A1 ASP 58 H -0.16 0.52 0.41 -0.55 8.40 8.63 3dm0A1 ASP 58 HA -0.07 0.13 0.70 -0.75 4.63 4.64 3dm0A1 ASP 58 HB2 -0.07 -0.02 0.15 -0.04 2.71 2.73 3dm0A1 ASP 58 HB3 -0.04 -0.08 0.07 -0.04 2.70 2.61 3dm0A1 ILE 59 H -0.08 0.39 0.26 -0.55 8.25 8.27 3dm0A1 ILE 59 HA -0.02 0.43 1.10 -0.75 4.18 4.94 3dm0A1 ILE 59 HB 0.08 -0.09 0.06 -0.04 1.89 1.90 3dm0A1 ILE 59 HG12 0.02 0.11 -0.17 -0.04 1.49 1.40 3dm0A1 ILE 59 HG13 -0.03 -0.12 -0.35 -0.04 1.21 0.67 3dm0A1 ILE 59 HG23 0.03 0.01 -0.19 -0.04 0.93 0.74 3dm0A1 ILE 59 HD13 0.03 -0.02 -0.09 -0.04 0.88 0.76 3dm0A1 ILE 60 H -0.07 0.60 0.30 -0.55 8.25 8.52 3dm0A1 ILE 60 HA 0.16 0.14 1.14 -0.75 4.18 4.86 3dm0A1 ILE 60 HB -0.58 0.03 -0.06 -0.04 1.89 1.24 3dm0A1 ILE 60 HG12 -0.00 -0.01 -0.50 -0.04 1.49 0.94 3dm0A1 ILE 60 HG13 0.11 -0.03 0.01 -0.04 1.21 1.26 3dm0A1 ILE 60 HG23 -0.74 0.00 -0.06 -0.04 0.93 0.09 3dm0A1 ILE 60 HD13 -0.64 -0.02 -0.13 -0.04 0.88 0.05 3dm0A1 PHE 61 H 0.49 0.61 0.38 -0.55 8.34 9.27 3dm0A1 PHE 61 HA 0.28 0.47 1.18 -0.75 4.62 5.79 3dm0A1 PHE 61 HB2 0.18 0.03 0.35 -0.04 3.15 3.66 3dm0A1 PHE 61 HB3 0.12 -0.13 0.02 -0.04 3.06 3.03 3dm0A1 PHE 61 HD2 0.11 0.03 -0.19 -0.04 7.28 7.19 3dm0A1 PHE 61 HE2 0.10 -0.01 -0.19 -0.04 7.38 7.24 3dm0A1 PHE 61 HZ 0.14 -0.00 -0.15 -0.04 7.32 7.27 3dm0A1 TRP 62 H 0.41 0.58 0.40 -0.55 7.97 8.81 3dm0A1 TRP 62 HA 0.09 -0.07 0.40 -0.75 4.62 4.28 3dm0A1 TRP 62 HB2 0.06 0.21 -0.23 -0.04 3.23 3.22 3dm0A1 TRP 62 HB3 0.13 0.11 -0.15 -0.04 3.23 3.27 3dm0A1 TRP 62 HD1 -0.06 0.18 0.02 -0.04 7.22 7.32 3dm0A1 TRP 62 HE1 -0.20 0.02 -0.00 -0.04 10.20 9.97 3dm0A1 TRP 62 HE3 0.02 0.29 0.13 -0.04 7.59 7.98 3dm0A1 TRP 62 HZ2 -0.22 0.03 0.02 -0.04 7.44 7.23 3dm0A1 TRP 62 HZ3 -0.07 -0.06 0.04 -0.04 7.13 7.00 3dm0A1 TRP 62 HH2 -0.14 -0.02 0.05 -0.04 7.19 7.03 3dm0A1 ALA 63 H -1.00 0.08 0.13 -0.55 8.40 7.07 3dm0A1 ALA 63 HA 0.01 0.09 0.32 -0.75 4.34 4.00 3dm0A1 ALA 63 HB3 -0.18 -0.01 0.08 -0.04 1.41 1.26 3dm0A1 HIS 64 H 0.32 0.23 0.24 -0.55 8.41 8.66 3dm0A1 HIS 64 HA 0.18 0.09 0.31 -0.75 4.63 4.44 3dm0A1 HIS 64 HB2 0.01 0.19 -0.02 -0.04 3.26 3.40 3dm0A1 HIS 64 HB3 -0.03 0.11 0.12 -0.04 3.20 3.35 3dm0A1 HIS 64 HD2 0.07 0.12 -0.17 -0.04 6.97 6.95 3dm0A1 HIS 64 HE1 0.11 0.22 0.29 -0.04 7.75 8.33 3dm0A1 ASP 65 H -0.58 -0.03 -0.25 -0.55 8.40 6.99 3dm0A1 ASP 65 HA -0.26 0.23 0.29 -0.75 4.63 4.14 3dm0A1 ASP 65 HB2 -0.03 0.07 0.07 -0.04 2.71 2.78 3dm0A1 ASP 65 HB3 -0.27 -0.03 0.05 -0.04 2.70 2.41 3dm0A1 ARG 66 H 0.15 0.28 -0.59 -0.55 8.46 7.75 3dm0A1 ARG 66 HA -0.22 0.18 0.85 -0.75 4.34 4.40 3dm0A1 ARG 66 HB2 -0.03 -0.08 -0.03 -0.04 1.90 1.72 3dm0A1 ARG 66 HB3 -0.58 0.06 -0.07 -0.04 1.80 1.16 3dm0A1 ARG 66 HG2 -0.61 0.04 0.08 -0.04 1.67 1.14 3dm0A1 ARG 66 HG3 -0.22 -0.01 0.01 -0.04 1.67 1.40 3dm0A1 ARG 66 HD2 -0.58 -0.09 -0.04 -0.04 3.22 2.48 3dm0A1 ARG 66 HD3 -0.49 0.07 -0.01 -0.04 3.22 2.74 3dm0A1 PHE 67 H 0.24 0.69 0.04 -0.55 8.34 8.75 3dm0A1 PHE 67 HA -0.33 0.04 0.45 -0.75 4.62 4.03 3dm0A1 PHE 67 HB2 0.00 0.15 0.09 -0.04 3.15 3.35 3dm0A1 PHE 67 HB3 0.01 0.02 -0.03 -0.04 3.06 3.02 3dm0A1 PHE 67 HD2 0.07 0.07 -0.02 -0.04 7.28 7.37 3dm0A1 PHE 67 HE2 0.09 -0.02 -0.25 -0.04 7.38 7.16 3dm0A1 PHE 67 HZ 0.07 0.09 -0.17 -0.04 7.32 7.27 3dm0A1 GLY 68 H -0.11 0.27 -0.17 -0.55 8.43 7.87 3dm0A1 GLY 68 HA2 -0.76 -0.02 0.39 -0.51 4.01 3.11 3dm0A1 GLY 68 HA3 -0.45 0.63 0.41 -0.51 4.01 4.10 3dm0A1 GLY 69 H -0.29 0.20 -0.34 -0.55 8.43 7.46 3dm0A1 GLY 69 HA2 -0.11 0.01 0.43 -0.51 4.01 3.83 3dm0A1 GLY 69 HA3 -0.15 0.08 0.28 -0.51 4.01 3.71 3dm0A1 TYR 70 H -0.31 0.24 -0.23 -0.55 8.29 7.44 3dm0A1 TYR 70 HA 0.01 0.09 0.39 -0.75 4.56 4.30 3dm0A1 TYR 70 HB2 -0.01 0.07 0.07 -0.04 3.06 3.15 3dm0A1 TYR 70 HB3 0.16 -0.01 -0.13 -0.04 2.98 2.95 3dm0A1 TYR 70 HD2 -0.33 -0.01 -0.12 -0.04 7.15 6.65 3dm0A1 TYR 70 HE2 -0.45 -0.02 -0.07 -0.04 6.85 6.27 3dm0A1 ALA 71 H 0.05 0.65 -0.05 -0.55 8.40 8.51 3dm0A1 ALA 71 HA 0.13 -0.03 0.40 -0.75 4.34 4.09 3dm0A1 ALA 71 HB3 0.05 0.03 0.09 -0.04 1.41 1.54 3dm0A1 GLN 72 H -0.08 0.54 -0.17 -0.55 8.47 8.21 3dm0A1 GLN 72 HA 0.18 -0.01 0.38 -0.75 4.36 4.15 3dm0A1 GLN 72 HB2 0.01 0.04 0.17 -0.04 2.15 2.34 3dm0A1 GLN 72 HB3 0.02 0.14 0.13 -0.04 2.02 2.27 3dm0A1 GLN 72 HG2 0.09 -0.08 0.04 -0.04 2.40 2.40 3dm0A1 GLN 72 HG3 0.07 0.03 -0.09 -0.04 2.39 2.37 3dm0A1 GLN 72 HE21 0.09 -0.03 0.07 -0.04 6.97 7.07 3dm0A1 GLN 72 HE22 0.08 0.03 0.11 -0.04 7.69 7.86 3dm0A1 SER 73 H 0.07 0.35 -0.40 -0.55 8.46 7.93 3dm0A1 SER 73 HA 0.04 0.07 0.65 -0.75 4.49 4.50 3dm0A1 SER 73 HB2 0.06 0.03 0.15 -0.04 3.95 4.15 3dm0A1 SER 73 HB3 0.02 -0.02 0.20 -0.04 3.93 4.09 3dm0A1 GLY 74 H 0.07 0.58 -0.54 -0.55 8.43 8.00 3dm0A1 GLY 74 HA2 0.06 0.04 0.37 -0.51 4.01 3.98 3dm0A1 GLY 74 HA3 0.03 -0.01 0.36 -0.51 4.01 3.88 3dm0A1 LEU 75 H 0.08 0.52 -0.25 -0.55 8.37 8.17 3dm0A1 LEU 75 HA -0.03 0.21 0.64 -0.75 4.35 4.42 3dm0A1 LEU 75 HB2 0.11 -0.12 -0.10 -0.04 1.64 1.50 3dm0A1 LEU 75 HB3 -0.23 -0.07 0.03 -0.04 1.64 1.33 3dm0A1 LEU 75 HG 0.02 0.08 -0.13 -0.04 1.64 1.57 3dm0A1 LEU 75 HD13 -0.15 -0.04 0.00 -0.04 0.93 0.70 3dm0A1 LEU 75 HD23 -0.11 0.01 -0.25 -0.04 0.89 0.50 3dm0A1 LEU 76 H 0.11 0.16 -0.29 -0.55 8.37 7.80 3dm0A1 LEU 76 HA 0.14 0.24 1.11 -0.75 4.35 5.10 3dm0A1 LEU 76 HB2 0.17 -0.08 -0.01 -0.04 1.64 1.69 3dm0A1 LEU 76 HB3 0.17 0.18 -0.01 -0.04 1.64 1.95 3dm0A1 LEU 76 HG 0.29 -0.13 -0.48 -0.04 1.64 1.28 3dm0A1 LEU 76 HD13 0.37 0.01 -0.02 -0.04 0.93 1.24 3dm0A1 LEU 76 HD23 0.20 0.02 -0.15 -0.04 0.89 0.92 3dm0A1 ALA 77 H 0.09 0.58 0.13 -0.55 8.40 8.66 3dm0A1 ALA 77 HA 0.05 0.06 0.55 -0.75 4.34 4.25 3dm0A1 ALA 77 HB3 0.05 0.01 -0.04 -0.04 1.41 1.39 3dm0A1 GLU 78 H 0.04 0.08 0.16 -0.55 8.60 8.34 3dm0A1 GLU 78 HA 0.05 0.15 0.53 -0.75 4.29 4.26 3dm0A1 GLU 78 HB2 0.04 -0.00 0.13 -0.04 2.09 2.21 3dm0A1 GLU 78 HB3 0.02 -0.07 0.06 -0.04 1.99 1.96 3dm0A1 GLU 78 HG2 -0.00 0.17 -0.01 -0.04 2.34 2.46 3dm0A1 GLU 78 HG3 0.03 -0.01 0.02 -0.04 2.34 2.33 3dm0A1 ILE 79 H -0.01 0.63 0.31 -0.55 8.25 8.63 3dm0A1 ILE 79 HA -0.00 0.12 0.81 -0.75 4.18 4.35 3dm0A1 ILE 79 HB -0.23 -0.08 -0.04 -0.04 1.89 1.50 3dm0A1 ILE 79 HG12 -0.18 -0.08 -0.23 -0.04 1.49 0.96 3dm0A1 ILE 79 HG13 -0.16 0.02 -0.07 -0.04 1.21 0.97 3dm0A1 ILE 79 HG23 -0.02 0.02 -0.20 -0.04 0.93 0.68 3dm0A1 ILE 79 HD13 -0.67 -0.02 -0.19 -0.04 0.88 -0.04 3dm0A1 THR 80 H -0.01 0.11 -0.01 -0.55 8.28 7.83 3dm0A1 THR 80 HA -0.11 0.22 0.83 -0.75 4.39 4.58 3dm0A1 THR 80 HB -0.04 -0.01 0.05 -0.04 4.32 4.28 3dm0A1 THR 80 HG23 -0.03 0.01 -0.29 -0.04 1.22 0.87 3dm0A1 PRO 81 HA 0.04 0.05 0.58 -0.51 4.44 4.60 3dm0A1 PRO 81 HB2 0.45 -0.01 -0.00 -0.04 2.28 2.68 3dm0A1 PRO 81 HB3 0.33 0.02 0.03 -0.04 2.02 2.37 3dm0A1 PRO 81 HG2 -0.30 0.02 -0.02 -0.04 2.03 1.69 3dm0A1 PRO 81 HG3 -0.35 0.07 -0.02 -0.04 2.03 1.68 3dm0A1 PRO 81 HD2 -0.28 0.19 0.04 -0.04 3.68 3.59 3dm0A1 PRO 81 HD3 -0.19 0.08 -0.13 -0.04 3.65 3.37 3dm0A1 ALA 82 H 0.07 0.08 0.18 -0.55 8.40 8.19 3dm0A1 ALA 82 HA 0.01 0.16 0.46 -0.75 4.34 4.22 3dm0A1 ALA 82 HB3 0.06 -0.00 0.15 -0.04 1.41 1.57 3dm0A1 ALA 83 H 0.00 0.19 0.18 -0.55 8.40 8.22 3dm0A1 ALA 83 HA -0.05 0.13 0.36 -0.75 4.34 4.03 3dm0A1 ALA 83 HB3 -0.01 0.03 0.10 -0.04 1.41 1.48 3dm0A1 ALA 84 H 0.05 0.03 -0.28 -0.55 8.40 7.66 3dm0A1 ALA 84 HA 0.04 0.10 0.34 -0.75 4.34 4.06 3dm0A1 ALA 84 HB3 0.07 0.00 0.04 -0.04 1.41 1.48 3dm0A1 PHE 85 H 0.23 0.04 -0.24 -0.55 8.34 7.82 3dm0A1 PHE 85 HA 0.08 0.07 0.38 -0.75 4.62 4.40 3dm0A1 PHE 85 HB2 0.08 -0.07 0.11 -0.04 3.15 3.23 3dm0A1 PHE 85 HB3 0.10 0.06 0.08 -0.04 3.06 3.26 3dm0A1 PHE 85 HD2 0.22 -0.01 -0.04 -0.04 7.28 7.40 3dm0A1 PHE 85 HE2 0.37 0.15 0.04 -0.04 7.38 7.89 3dm0A1 PHE 85 HZ 0.08 0.02 0.03 -0.04 7.32 7.40 3dm0A1 GLN 86 H 0.12 0.48 -0.18 -0.55 8.47 8.35 3dm0A1 GLN 86 HA 0.33 -0.01 0.31 -0.75 4.36 4.23 3dm0A1 GLN 86 HB2 -0.11 0.07 0.09 -0.04 2.15 2.16 3dm0A1 GLN 86 HB3 -0.30 -0.01 -0.05 -0.04 2.02 1.62 3dm0A1 GLN 86 HG2 -1.11 -0.03 -0.02 -0.04 2.40 1.20 3dm0A1 GLN 86 HG3 -0.20 0.05 -0.14 -0.04 2.39 2.05 3dm0A1 GLN 86 HE21 -0.18 -0.08 -0.07 -0.04 6.97 6.60 3dm0A1 GLN 86 HE22 -0.15 0.32 -0.33 -0.04 7.69 7.49 3dm0A1 ASP 87 H 0.02 0.46 -0.25 -0.55 8.40 8.08 3dm0A1 ASP 87 HA 0.04 0.04 0.40 -0.75 4.63 4.35 3dm0A1 ASP 87 HB2 -0.00 0.10 0.08 -0.04 2.71 2.84 3dm0A1 ASP 87 HB3 -0.00 -0.07 0.08 -0.04 2.70 2.67 3dm0A1 LYS 88 H -0.09 0.50 -0.39 -0.55 8.42 7.88 3dm0A1 LYS 88 HA -0.12 -0.07 0.48 -0.75 4.32 3.86 3dm0A1 LYS 88 HB2 -0.43 0.28 0.19 -0.04 1.87 1.87 3dm0A1 LYS 88 HB3 -0.21 -0.18 0.09 -0.04 1.79 1.45 3dm0A1 LYS 88 HG2 -0.06 -0.11 0.07 -0.04 1.46 1.32 3dm0A1 LYS 88 HG3 -0.07 0.21 0.14 -0.04 1.46 1.70 3dm0A1 LYS 88 HD2 -0.06 0.03 0.09 -0.04 1.69 1.71 3dm0A1 LYS 88 HD3 -0.04 -0.04 0.07 -0.04 1.68 1.63 3dm0A1 LYS 88 HE2 0.12 0.01 0.02 -0.04 2.99 3.09 3dm0A1 LYS 88 HE3 0.03 -0.06 0.01 -0.04 2.99 2.94 3dm0A1 LEU 89 H -0.04 0.45 -0.18 -0.55 8.37 8.05 3dm0A1 LEU 89 HA -0.33 0.15 0.75 -0.75 4.35 4.16 3dm0A1 LEU 89 HB2 -0.19 0.10 0.05 -0.04 1.64 1.56 3dm0A1 LEU 89 HB3 -0.71 -0.03 -0.08 -0.04 1.64 0.79 3dm0A1 LEU 89 HG -0.39 -0.13 -0.22 -0.04 1.64 0.86 3dm0A1 LEU 89 HD13 -0.36 0.02 -0.28 -0.04 0.93 0.26 3dm0A1 LEU 89 HD23 -0.71 0.01 -0.04 -0.04 0.89 0.11 3dm0A1 TYR 90 H -0.28 0.31 0.22 -0.55 8.29 7.99 3dm0A1 TYR 90 HA 0.01 0.17 0.49 -0.75 4.56 4.47 3dm0A1 TYR 90 HB2 -0.48 -0.10 0.14 -0.04 3.06 2.58 3dm0A1 TYR 90 HB3 0.04 -0.09 0.05 -0.04 2.98 2.94 3dm0A1 TYR 90 HD2 -0.02 -0.03 0.09 -0.04 7.15 7.15 3dm0A1 TYR 90 HE2 0.03 0.07 -0.07 -0.04 6.85 6.83 3dm0A1 PRO 91 HA 0.36 0.12 0.40 -0.51 4.44 4.82 3dm0A1 PRO 91 HB2 0.19 -0.01 0.07 -0.04 2.28 2.49 3dm0A1 PRO 91 HB3 0.16 0.05 0.08 -0.04 2.02 2.27 3dm0A1 PRO 91 HG2 0.14 0.04 0.10 -0.04 2.03 2.26 3dm0A1 PRO 91 HG3 0.15 0.13 0.11 -0.04 2.03 2.37 3dm0A1 PRO 91 HD2 0.28 0.04 0.22 -0.04 3.68 4.17 3dm0A1 PRO 91 HD3 0.17 0.25 0.28 -0.04 3.65 4.32 3dm0A1 PHE 92 H 0.33 0.16 -0.19 -0.55 8.34 8.09 3dm0A1 PHE 92 HA 0.07 0.08 0.39 -0.75 4.62 4.40 3dm0A1 PHE 92 HB2 0.01 0.05 0.05 -0.04 3.15 3.23 3dm0A1 PHE 92 HB3 0.03 0.02 0.07 -0.04 3.06 3.13 3dm0A1 PHE 92 HD2 -0.03 -0.02 -0.15 -0.04 7.28 7.05 3dm0A1 PHE 92 HE2 -0.25 0.02 -0.11 -0.04 7.38 6.99 3dm0A1 PHE 92 HZ -0.12 0.02 -0.11 -0.04 7.32 7.07 3dm0A1 THR 93 H -0.59 0.34 -0.44 -0.55 8.28 7.04 3dm0A1 THR 93 HA -0.51 0.05 0.40 -0.75 4.39 3.58 3dm0A1 THR 93 HB -0.50 -0.07 -0.06 -0.04 4.32 3.66 3dm0A1 THR 93 HG23 -0.84 -0.03 -0.07 -0.04 1.22 0.24 3dm0A1 TRP 94 H -0.03 0.35 -0.24 -0.55 7.97 7.49 3dm0A1 TRP 94 HA -0.08 0.07 0.44 -0.75 4.62 4.29 3dm0A1 TRP 94 HB2 -0.03 0.17 0.14 -0.04 3.23 3.47 3dm0A1 TRP 94 HB3 -0.03 -0.02 -0.04 -0.04 3.23 3.09 3dm0A1 TRP 94 HD1 -0.06 0.00 -0.19 -0.04 7.22 6.94 3dm0A1 TRP 94 HE1 -0.12 0.40 0.10 -0.04 10.20 10.54 3dm0A1 TRP 94 HE3 -0.08 0.00 0.06 -0.04 7.59 7.53 3dm0A1 TRP 94 HZ2 -0.06 -0.01 -0.10 -0.04 7.44 7.24 3dm0A1 TRP 94 HZ3 -0.23 0.09 0.03 -0.04 7.13 6.98 3dm0A1 TRP 94 HH2 0.26 -0.05 -0.04 -0.04 7.19 7.31 3dm0A1 ASP 95 H 0.16 0.37 -0.18 -0.55 8.40 8.21 3dm0A1 ASP 95 HA 0.14 0.03 0.31 -0.75 4.63 4.35 3dm0A1 ASP 95 HB2 0.14 0.13 0.10 -0.04 2.71 3.04 3dm0A1 ASP 95 HB3 0.12 -0.02 -0.02 -0.04 2.70 2.75 3dm0A1 ALA 96 H -0.00 0.30 -0.46 -0.55 8.40 7.69 3dm0A1 ALA 96 HA -0.04 0.04 0.32 -0.75 4.34 3.90 3dm0A1 ALA 96 HB3 -0.38 0.02 0.05 -0.04 1.41 1.07 3dm0A1 VAL 97 H 0.05 0.41 -0.53 -0.55 8.24 7.62 3dm0A1 VAL 97 HA 0.07 0.14 0.81 -0.75 4.13 4.40 3dm0A1 VAL 97 HB -0.02 -0.16 0.13 -0.04 2.12 2.03 3dm0A1 VAL 97 HG13 -0.17 -0.04 -0.30 -0.04 0.97 0.43 3dm0A1 VAL 97 HG23 0.11 0.08 0.05 -0.04 0.95 1.14 3dm0A1 ARG 98 H 0.13 0.51 -0.35 -0.55 8.46 8.20 3dm0A1 ARG 98 HA 0.12 0.34 0.95 -0.75 4.34 5.00 3dm0A1 ARG 98 HB2 0.12 0.07 -0.16 -0.04 1.90 1.89 3dm0A1 ARG 98 HB3 0.11 0.03 0.11 -0.04 1.80 2.01 3dm0A1 ARG 98 HG2 0.06 -0.21 -0.41 -0.04 1.67 1.06 3dm0A1 ARG 98 HG3 0.05 0.04 -0.62 -0.04 1.67 1.10 3dm0A1 ARG 98 HD2 0.07 -0.03 -0.12 -0.04 3.22 3.10 3dm0A1 ARG 98 HD3 0.03 -0.02 -0.14 -0.04 3.22 3.04 3dm0A1 TYR 99 H 0.19 0.75 0.20 -0.55 8.29 8.88 3dm0A1 TYR 99 HA 0.07 0.09 0.95 -0.75 4.56 4.92 3dm0A1 TYR 99 HB2 0.09 0.00 -0.20 -0.04 3.06 2.92 3dm0A1 TYR 99 HB3 0.08 0.06 0.05 -0.04 2.98 3.13 3dm0A1 TYR 99 HD2 0.07 0.01 -0.07 -0.04 7.15 7.11 3dm0A1 TYR 99 HE2 0.04 -0.04 -0.00 -0.04 6.85 6.80 3dm0A1 ASN 100 H -0.33 0.17 0.14 -0.55 8.53 7.97 3dm0A1 ASN 100 HA -0.22 0.03 0.35 -0.75 4.76 4.17 3dm0A1 ASN 100 HB2 -0.30 0.17 -0.14 -0.04 2.88 2.57 3dm0A1 ASN 100 HB3 -0.14 0.02 0.30 -0.04 2.79 2.93 3dm0A1 ASN 100 HD21 -0.24 -0.01 0.01 -0.04 7.03 6.75 3dm0A1 ASN 100 HD22 -0.36 0.06 -0.07 -0.04 7.74 7.33 3dm0A1 GLY 101 H -0.03 0.07 -0.30 -0.55 8.43 7.62 3dm0A1 GLY 101 HA2 -0.00 -0.01 0.21 -0.51 4.01 3.71 3dm0A1 GLY 101 HA3 -0.02 0.11 0.38 -0.51 4.01 3.97 3dm0A1 LYS 102 H 0.02 0.43 -0.68 -0.55 8.42 7.63 3dm0A1 LYS 102 HA 0.00 0.20 1.02 -0.75 4.32 4.79 3dm0A1 LYS 102 HB2 0.06 0.08 0.00 -0.04 1.87 1.98 3dm0A1 LYS 102 HB3 0.03 0.02 0.00 -0.04 1.79 1.80 3dm0A1 LYS 102 HG2 0.00 -0.01 -0.09 -0.04 1.46 1.32 3dm0A1 LYS 102 HG3 0.00 0.10 -0.14 -0.04 1.46 1.39 3dm0A1 LYS 102 HD2 0.04 0.03 -0.00 -0.04 1.69 1.71 3dm0A1 LYS 102 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.64 3dm0A1 LYS 102 HE2 0.00 0.02 0.00 -0.04 2.99 2.98 3dm0A1 LYS 102 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 3dm0A1 LEU 103 H -0.02 0.19 0.19 -0.55 8.37 8.19 3dm0A1 LEU 103 HA 0.07 0.23 0.76 -0.75 4.35 4.66 3dm0A1 LEU 103 HB2 -0.09 0.20 0.30 -0.04 1.64 2.00 3dm0A1 LEU 103 HB3 -0.02 -0.02 0.09 -0.04 1.64 1.65 3dm0A1 LEU 103 HG -0.13 -0.02 0.04 -0.04 1.64 1.49 3dm0A1 LEU 103 HD13 -0.61 -0.00 0.00 -0.04 0.93 0.28 3dm0A1 LEU 103 HD23 0.13 -0.00 -0.12 -0.04 0.89 0.86 3dm0A1 ILE 104 H 0.09 0.67 0.38 -0.55 8.25 8.84 3dm0A1 ILE 104 HA 0.07 0.21 1.00 -0.75 4.18 4.71 3dm0A1 ILE 104 HB 0.17 -0.05 0.11 -0.04 1.89 2.09 3dm0A1 ILE 104 HG12 0.15 0.21 0.01 -0.04 1.49 1.81 3dm0A1 ILE 104 HG13 0.09 -0.02 -0.19 -0.04 1.21 1.04 3dm0A1 ILE 104 HG23 0.17 0.02 -0.15 -0.04 0.93 0.93 3dm0A1 ILE 104 HD13 0.18 -0.02 -0.21 -0.04 0.88 0.79 3dm0A1 ALA 105 H 0.00 0.28 0.06 -0.55 8.40 8.19 3dm0A1 ALA 105 HA -0.01 0.08 0.42 -0.75 4.34 4.07 3dm0A1 ALA 105 HB3 -0.28 0.03 -0.24 -0.04 1.41 0.87 3dm0A1 TYR 106 H 0.15 0.66 0.28 -0.55 8.29 8.84 3dm0A1 TYR 106 HA 0.03 0.21 0.85 -0.75 4.56 4.90 3dm0A1 TYR 106 HB2 -0.05 -0.07 0.15 -0.04 3.06 3.04 3dm0A1 TYR 106 HB3 -0.00 0.09 -0.02 -0.04 2.98 3.01 3dm0A1 TYR 106 HD2 0.28 0.11 -0.01 -0.04 7.15 7.49 3dm0A1 TYR 106 HE2 0.06 -0.01 -0.08 -0.04 6.85 6.78 3dm0A1 PRO 107 HA -0.19 0.10 0.53 -0.51 4.44 4.37 3dm0A1 PRO 107 HB2 -0.37 -0.08 -0.11 -0.04 2.28 1.68 3dm0A1 PRO 107 HB3 -0.33 0.21 -0.02 -0.04 2.02 1.84 3dm0A1 PRO 107 HG2 -0.86 -0.04 -0.03 -0.04 2.03 1.06 3dm0A1 PRO 107 HG3 -1.12 0.03 -0.33 -0.04 2.03 0.57 3dm0A1 PRO 107 HD2 -1.04 0.05 0.21 -0.04 3.68 2.86 3dm0A1 PRO 107 HD3 -0.47 0.28 0.14 -0.04 3.65 3.56 3dm0A1 ILE 108 H -0.08 0.65 0.30 -0.55 8.25 8.57 3dm0A1 ILE 108 HA -0.04 0.20 1.03 -0.75 4.18 4.61 3dm0A1 ILE 108 HB 0.07 -0.04 0.02 -0.04 1.89 1.89 3dm0A1 ILE 108 HG12 -0.01 0.09 -0.20 -0.04 1.49 1.33 3dm0A1 ILE 108 HG13 0.23 -0.07 -0.25 -0.04 1.21 1.08 3dm0A1 ILE 108 HG23 0.10 -0.02 -0.18 -0.04 0.93 0.79 3dm0A1 ILE 108 HD13 0.03 0.05 -0.30 -0.04 0.88 0.62 3dm0A1 ALA 109 H 0.00 0.29 0.25 -0.55 8.40 8.40 3dm0A1 ALA 109 HA 0.01 0.10 0.66 -0.75 4.34 4.36 3dm0A1 ALA 109 HB3 0.05 0.02 -0.39 -0.04 1.41 1.05 3dm0A1 VAL 110 H 0.06 1.07 0.21 -0.55 8.24 9.03 3dm0A1 VAL 110 HA 0.09 0.14 0.87 -0.75 4.13 4.47 3dm0A1 VAL 110 HB 0.11 -0.06 0.20 -0.04 2.12 2.33 3dm0A1 VAL 110 HG13 0.14 0.01 -0.18 -0.04 0.97 0.90 3dm0A1 VAL 110 HG23 0.21 0.01 -0.08 -0.04 0.95 1.05 3dm0A1 GLU 111 H 0.14 0.71 0.40 -0.55 8.60 9.30 3dm0A1 GLU 111 HA 0.10 0.12 0.89 -0.75 4.29 4.65 3dm0A1 GLU 111 HB2 0.24 -0.10 0.14 -0.04 2.09 2.33 3dm0A1 GLU 111 HB3 0.49 -0.04 0.01 -0.04 1.99 2.41 3dm0A1 GLU 111 HG2 0.32 0.13 -0.05 -0.04 2.34 2.69 3dm0A1 GLU 111 HG3 0.14 0.02 -0.16 -0.04 2.34 2.29 3dm0A1 ALA 112 H 0.02 0.26 0.20 -0.55 8.40 8.33 3dm0A1 ALA 112 HA 0.13 0.09 0.65 -0.75 4.34 4.45 3dm0A1 ALA 112 HB3 0.07 0.05 -0.10 -0.04 1.41 1.38 3dm0A1 LEU 113 H -0.00 0.13 0.04 -0.55 8.37 7.99 3dm0A1 LEU 113 HA -0.09 0.09 0.35 -0.75 4.35 3.95 3dm0A1 LEU 113 HB2 -0.09 0.02 0.02 -0.04 1.64 1.55 3dm0A1 LEU 113 HB3 -0.05 0.06 -0.06 -0.04 1.64 1.55 3dm0A1 LEU 113 HG -0.22 -0.07 -0.08 -0.04 1.64 1.23 3dm0A1 LEU 113 HD13 -0.54 -0.01 -0.10 -0.04 0.93 0.24 3dm0A1 LEU 113 HD23 0.03 -0.01 -0.31 -0.04 0.89 0.56 3dm0A1 SER 114 H -0.02 0.46 0.35 -0.55 8.46 8.71 3dm0A1 SER 114 HA 0.00 0.16 0.69 -0.75 4.49 4.60 3dm0A1 SER 114 HB2 0.13 -0.06 -0.07 -0.04 3.95 3.91 3dm0A1 SER 114 HB3 0.06 0.10 -0.01 -0.04 3.93 4.03 3dm0A1 LEU 115 H -0.02 0.60 0.14 -0.55 8.37 8.54 3dm0A1 LEU 115 HA -0.09 0.15 0.84 -0.75 4.35 4.49 3dm0A1 LEU 115 HB2 -0.14 -0.08 -0.01 -0.04 1.64 1.37 3dm0A1 LEU 115 HB3 -0.07 0.11 -0.04 -0.04 1.64 1.59 3dm0A1 LEU 115 HG -0.06 -0.03 -0.27 -0.04 1.64 1.23 3dm0A1 LEU 115 HD13 -0.20 0.02 -0.04 -0.04 0.93 0.67 3dm0A1 LEU 115 HD23 -0.24 0.00 -0.12 -0.04 0.89 0.50 3dm0A1 ILE 116 H -0.10 0.63 0.33 -0.55 8.25 8.56 3dm0A1 ILE 116 HA 0.08 0.34 1.10 -0.75 4.18 4.94 3dm0A1 ILE 116 HB -0.47 -0.09 0.05 -0.04 1.89 1.34 3dm0A1 ILE 116 HG12 0.09 0.02 -0.21 -0.04 1.49 1.36 3dm0A1 ILE 116 HG13 -0.04 0.02 -0.21 -0.04 1.21 0.94 3dm0A1 ILE 116 HG23 -0.10 0.01 -0.14 -0.04 0.93 0.66 3dm0A1 ILE 116 HD13 -0.02 -0.02 -0.21 -0.04 0.88 0.60 3dm0A1 TYR 117 H 0.15 0.43 0.31 -0.55 8.29 8.63 3dm0A1 TYR 117 HA 0.24 0.38 1.31 -0.75 4.56 5.74 3dm0A1 TYR 117 HB2 0.07 0.11 0.02 -0.04 3.06 3.22 3dm0A1 TYR 117 HB3 0.01 -0.07 -0.16 -0.04 2.98 2.73 3dm0A1 TYR 117 HD2 0.01 0.16 -0.22 -0.04 7.15 7.06 3dm0A1 TYR 117 HE2 -0.03 0.03 -0.17 -0.04 6.85 6.64 3dm0A1 ASN 118 H 0.32 0.75 0.33 -0.55 8.53 9.38 3dm0A1 ASN 118 HA -0.00 0.09 0.67 -0.75 4.76 4.77 3dm0A1 ASN 118 HB2 -0.21 0.16 0.11 -0.04 2.88 2.89 3dm0A1 ASN 118 HB3 0.02 -0.04 0.25 -0.04 2.79 2.98 3dm0A1 ASN 118 HD21 -0.16 0.00 0.02 -0.04 7.03 6.85 3dm0A1 ASN 118 HD22 -0.35 0.14 0.02 -0.04 7.74 7.51 3dm0A1 LYS 119 H -0.14 0.64 0.37 -0.55 8.42 8.74 3dm0A1 LYS 119 HA 0.09 0.17 0.17 -0.75 4.32 3.99 3dm0A1 LYS 119 HB2 -0.08 0.04 0.10 -0.04 1.87 1.89 3dm0A1 LYS 119 HB3 -0.03 -0.05 -0.00 -0.04 1.79 1.66 3dm0A1 LYS 119 HG2 -0.51 -0.04 -0.11 -0.04 1.46 0.76 3dm0A1 LYS 119 HG3 -0.24 0.06 -0.29 -0.04 1.46 0.95 3dm0A1 LYS 119 HD2 -0.07 -0.04 -0.04 -0.04 1.69 1.50 3dm0A1 LYS 119 HD3 0.03 0.06 -0.02 -0.04 1.68 1.71 3dm0A1 LYS 119 HE2 -0.05 -0.05 -0.02 -0.04 2.99 2.83 3dm0A1 LYS 119 HE3 -0.26 -0.08 -0.10 -0.04 2.99 2.51 3dm0A1 ASP 120 H -0.03 0.08 -0.24 -0.55 8.40 7.66 3dm0A1 ASP 120 HA -0.01 0.10 0.46 -0.75 4.63 4.43 3dm0A1 ASP 120 HB2 -0.04 -0.00 0.04 -0.04 2.71 2.68 3dm0A1 ASP 120 HB3 -0.02 0.03 0.03 -0.04 2.70 2.70 3dm0A1 LEU 121 H 0.01 0.13 -0.22 -0.55 8.37 7.74 3dm0A1 LEU 121 HA 0.01 0.14 0.68 -0.75 4.35 4.42 3dm0A1 LEU 121 HB2 0.02 0.01 0.08 -0.04 1.64 1.71 3dm0A1 LEU 121 HB3 0.02 -0.02 -0.03 -0.04 1.64 1.57 3dm0A1 LEU 121 HG -0.01 0.03 -0.03 -0.04 1.64 1.59 3dm0A1 LEU 121 HD13 -0.05 -0.02 -0.09 -0.04 0.93 0.73 3dm0A1 LEU 121 HD23 -0.02 0.07 -0.22 -0.04 0.89 0.68 3dm0A1 LEU 122 H 0.08 0.46 -0.23 -0.55 8.37 8.13 3dm0A1 LEU 122 HA 0.04 0.12 0.67 -0.75 4.35 4.42 3dm0A1 LEU 122 HB2 0.07 -0.00 -0.33 -0.04 1.64 1.33 3dm0A1 LEU 122 HB3 0.16 0.01 0.01 -0.04 1.64 1.79 3dm0A1 LEU 122 HG -0.02 -0.04 -0.49 -0.04 1.64 1.06 3dm0A1 LEU 122 HD13 -0.00 -0.00 -0.05 -0.04 0.93 0.83 3dm0A1 LEU 122 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.76 3dm0A1 PRO 123 HA 0.10 0.08 0.43 -0.51 4.44 4.54 3dm0A1 PRO 123 HB2 0.01 -0.06 0.03 -0.04 2.28 2.22 3dm0A1 PRO 123 HB3 0.02 -0.02 0.06 -0.04 2.02 2.04 3dm0A1 PRO 123 HG2 0.01 -0.02 0.02 -0.04 2.03 2.00 3dm0A1 PRO 123 HG3 0.02 0.15 0.03 -0.04 2.03 2.20 3dm0A1 PRO 123 HD2 0.02 0.04 0.06 -0.04 3.68 3.76 3dm0A1 PRO 123 HD3 0.03 0.22 -0.31 -0.04 3.65 3.55 3dm0A1 ASN 124 H -0.01 0.12 -0.23 -0.55 8.53 7.87 3dm0A1 ASN 124 HA -0.09 0.22 0.87 -0.75 4.76 5.02 3dm0A1 ASN 124 HB2 -0.04 -0.05 0.10 -0.04 2.88 2.85 3dm0A1 ASN 124 HB3 -0.06 0.02 -0.01 -0.04 2.79 2.69 3dm0A1 ASN 124 HD21 -0.02 -0.04 -0.10 -0.04 7.03 6.84 3dm0A1 ASN 124 HD22 -0.04 0.04 -0.05 -0.04 7.74 7.65 3dm0A1 PRO 125 HA -0.17 0.08 0.35 -0.51 4.44 4.20 3dm0A1 PRO 125 HB2 -0.37 0.08 -0.12 -0.04 2.28 1.83 3dm0A1 PRO 125 HB3 -0.62 0.02 -0.05 -0.04 2.02 1.33 3dm0A1 PRO 125 HG2 -0.39 -0.01 -0.07 -0.04 2.03 1.52 3dm0A1 PRO 125 HG3 -1.08 -0.02 -0.06 -0.04 2.03 0.83 3dm0A1 PRO 125 HD2 -0.28 0.04 0.17 -0.04 3.68 3.57 3dm0A1 PRO 125 HD3 -0.59 0.29 -0.10 -0.04 3.65 3.22 3dm0A1 PRO 126 HA -0.10 -0.01 0.41 -0.51 4.44 4.23 3dm0A1 PRO 126 HB2 -0.12 0.05 -0.01 -0.04 2.28 2.15 3dm0A1 PRO 126 HB3 -0.09 0.03 0.03 -0.04 2.02 1.96 3dm0A1 PRO 126 HG2 -0.23 0.03 -0.04 -0.04 2.03 1.74 3dm0A1 PRO 126 HG3 -0.14 0.01 -0.02 -0.04 2.03 1.84 3dm0A1 PRO 126 HD2 -0.17 0.10 0.09 -0.04 3.68 3.65 3dm0A1 PRO 126 HD3 -0.10 0.15 0.13 -0.04 3.65 3.79 3dm0A1 LYS 127 H -0.09 0.07 0.17 -0.55 8.42 8.02 3dm0A1 LYS 127 HA -0.12 0.26 0.61 -0.75 4.32 4.32 3dm0A1 LYS 127 HB2 -0.06 -0.08 0.05 -0.04 1.87 1.74 3dm0A1 LYS 127 HB3 -0.06 0.01 0.08 -0.04 1.79 1.77 3dm0A1 LYS 127 HG2 -0.09 0.12 -0.03 -0.04 1.46 1.42 3dm0A1 LYS 127 HG3 -0.06 -0.04 0.01 -0.04 1.46 1.33 3dm0A1 LYS 127 HD2 -0.07 -0.01 -0.03 -0.04 1.69 1.54 3dm0A1 LYS 127 HD3 -0.06 -0.04 -0.00 -0.04 1.68 1.53 3dm0A1 LYS 127 HE2 -0.10 0.03 -0.03 -0.04 2.99 2.84 3dm0A1 LYS 127 HE3 -0.12 0.13 -0.14 -0.04 2.99 2.81 3dm0A1 THR 128 H -0.08 0.06 -0.04 -0.55 8.28 7.67 3dm0A1 THR 128 HA -0.02 0.18 1.08 -0.75 4.39 4.87 3dm0A1 THR 128 HB 0.03 -0.04 0.06 -0.04 4.32 4.33 3dm0A1 THR 128 HG23 -0.02 0.03 -0.19 -0.04 1.22 1.00 3dm0A1 TRP 129 H 0.25 0.84 0.27 -0.55 7.97 8.78 3dm0A1 TRP 129 HA 0.02 0.13 0.42 -0.75 4.62 4.44 3dm0A1 TRP 129 HB2 -0.17 -0.04 0.16 -0.04 3.23 3.14 3dm0A1 TRP 129 HB3 -0.29 -0.00 -0.04 -0.04 3.23 2.86 3dm0A1 TRP 129 HD1 -0.02 0.16 -0.80 -0.04 7.22 6.51 3dm0A1 TRP 129 HE1 -0.09 0.14 -0.19 -0.04 10.20 10.02 3dm0A1 TRP 129 HE3 0.28 -0.03 -0.05 -0.04 7.59 7.75 3dm0A1 TRP 129 HZ2 -0.16 -0.00 -0.12 -0.04 7.44 7.12 3dm0A1 TRP 129 HZ3 0.20 0.00 -0.11 -0.04 7.13 7.18 3dm0A1 TRP 129 HH2 -0.25 0.00 -0.11 -0.04 7.19 6.79 3dm0A1 GLU 130 H 0.11 0.07 -0.08 -0.55 8.60 8.15 3dm0A1 GLU 130 HA 0.35 0.13 0.37 -0.75 4.29 4.39 3dm0A1 GLU 130 HB2 0.05 -0.02 0.02 -0.04 2.09 2.10 3dm0A1 GLU 130 HB3 0.11 0.06 0.06 -0.04 1.99 2.18 3dm0A1 GLU 130 HG2 0.00 0.05 0.05 -0.04 2.34 2.40 3dm0A1 GLU 130 HG3 -0.03 0.06 0.05 -0.04 2.34 2.38 3dm0A1 GLU 131 H 0.06 0.23 -0.48 -0.55 8.60 7.86 3dm0A1 GLU 131 HA 0.05 0.16 0.78 -0.75 4.29 4.52 3dm0A1 GLU 131 HB2 -0.00 0.03 0.15 -0.04 2.09 2.22 3dm0A1 GLU 131 HB3 0.01 -0.05 0.02 -0.04 1.99 1.93 3dm0A1 GLU 131 HG2 -0.03 0.25 0.03 -0.04 2.34 2.55 3dm0A1 GLU 131 HG3 -0.04 0.06 -0.09 -0.04 2.34 2.23 3dm0A1 ILE 132 H 0.13 0.47 -0.31 -0.55 8.25 7.99 3dm0A1 ILE 132 HA -0.02 0.06 0.48 -0.75 4.18 3.94 3dm0A1 ILE 132 HB 0.22 0.27 0.18 -0.04 1.89 2.51 3dm0A1 ILE 132 HG12 -0.10 -0.02 -0.02 -0.04 1.49 1.31 3dm0A1 ILE 132 HG13 -0.08 0.08 0.06 -0.04 1.21 1.22 3dm0A1 ILE 132 HG23 0.04 -0.02 -0.15 -0.04 0.93 0.76 3dm0A1 ILE 132 HD13 -0.32 -0.01 -0.06 -0.04 0.88 0.45 3dm0A1 PRO 133 HA -0.96 0.11 0.48 -0.51 4.44 3.56 3dm0A1 PRO 133 HB2 -0.01 0.01 0.05 -0.04 2.28 2.29 3dm0A1 PRO 133 HB3 -0.10 0.08 0.06 -0.04 2.02 2.02 3dm0A1 PRO 133 HG2 0.10 0.04 0.05 -0.04 2.03 2.18 3dm0A1 PRO 133 HG3 -0.05 0.05 0.03 -0.04 2.03 2.01 3dm0A1 PRO 133 HD2 0.16 0.27 -0.09 -0.04 3.68 3.98 3dm0A1 PRO 133 HD3 0.27 0.22 0.13 -0.04 3.65 4.23 3dm0A1 ALA 134 H -0.03 0.19 -0.27 -0.55 8.40 7.75 3dm0A1 ALA 134 HA 0.00 0.07 0.48 -0.75 4.34 4.14 3dm0A1 ALA 134 HB3 0.01 0.03 0.07 -0.04 1.41 1.48 3dm0A1 LEU 135 H -0.03 0.37 -0.15 -0.55 8.37 8.01 3dm0A1 LEU 135 HA -0.01 0.02 0.43 -0.75 4.35 4.04 3dm0A1 LEU 135 HB2 -0.03 0.06 0.16 -0.04 1.64 1.80 3dm0A1 LEU 135 HB3 -0.03 0.08 0.23 -0.04 1.64 1.88 3dm0A1 LEU 135 HG -0.01 -0.04 -0.18 -0.04 1.64 1.37 3dm0A1 LEU 135 HD13 -0.01 -0.00 0.07 -0.04 0.93 0.94 3dm0A1 LEU 135 HD23 -0.04 -0.00 -0.01 -0.04 0.89 0.80 3dm0A1 ASP 136 H -0.09 0.59 -0.18 -0.55 8.40 8.17 3dm0A1 ASP 136 HA 0.03 -0.05 0.52 -0.75 4.63 4.37 3dm0A1 ASP 136 HB2 -0.06 0.02 0.20 -0.04 2.71 2.83 3dm0A1 ASP 136 HB3 -0.08 0.17 0.18 -0.04 2.70 2.93 3dm0A1 LYS 137 H 0.01 0.37 -0.17 -0.55 8.42 8.09 3dm0A1 LYS 137 HA 0.09 0.05 0.48 -0.75 4.32 4.18 3dm0A1 LYS 137 HB2 0.04 0.11 0.25 -0.04 1.87 2.23 3dm0A1 LYS 137 HB3 0.05 -0.06 0.06 -0.04 1.79 1.80 3dm0A1 LYS 137 HG2 0.13 -0.01 0.07 -0.04 1.46 1.61 3dm0A1 LYS 137 HG3 0.22 0.16 0.13 -0.04 1.46 1.93 3dm0A1 LYS 137 HD2 0.07 -0.06 0.02 -0.04 1.69 1.68 3dm0A1 LYS 137 HD3 0.07 -0.04 0.03 -0.04 1.68 1.69 3dm0A1 LYS 137 HE2 0.10 0.00 0.01 -0.04 2.99 3.06 3dm0A1 LYS 137 HE3 0.24 0.05 -0.02 -0.04 2.99 3.23 3dm0A1 GLU 138 H 0.02 0.50 -0.13 -0.55 8.60 8.45 3dm0A1 GLU 138 HA 0.02 -0.01 0.41 -0.75 4.29 3.95 3dm0A1 GLU 138 HB2 0.01 0.02 0.14 -0.04 2.09 2.21 3dm0A1 GLU 138 HB3 0.01 0.13 0.14 -0.04 1.99 2.23 3dm0A1 GLU 138 HG2 0.01 0.01 -0.02 -0.04 2.34 2.30 3dm0A1 GLU 138 HG3 0.01 -0.06 0.04 -0.04 2.34 2.29 3dm0A1 LEU 139 H 0.02 0.50 -0.08 -0.55 8.37 8.27 3dm0A1 LEU 139 HA 0.02 0.04 0.45 -0.75 4.35 4.10 3dm0A1 LEU 139 HB2 0.03 -0.03 0.00 -0.04 1.64 1.60 3dm0A1 LEU 139 HB3 0.03 -0.01 -0.34 -0.04 1.64 1.28 3dm0A1 LEU 139 HG 0.02 -0.00 0.00 -0.04 1.64 1.61 3dm0A1 LEU 139 HD13 0.03 -0.01 -0.17 -0.04 0.93 0.73 3dm0A1 LEU 139 HD23 0.02 0.03 -0.05 -0.04 0.89 0.85 3dm0A1 LYS 140 H 0.04 0.58 -0.10 -0.55 8.42 8.39 3dm0A1 LYS 140 HA 0.03 0.07 0.52 -0.75 4.32 4.19 3dm0A1 LYS 140 HB2 0.06 0.28 0.31 -0.04 1.87 2.47 3dm0A1 LYS 140 HB3 0.04 -0.06 0.03 -0.04 1.79 1.75 3dm0A1 LYS 140 HG2 0.04 -0.04 0.05 -0.04 1.46 1.47 3dm0A1 LYS 140 HG3 0.03 -0.08 0.08 -0.04 1.46 1.45 3dm0A1 LYS 140 HD2 0.06 0.08 0.11 -0.04 1.69 1.90 3dm0A1 LYS 140 HD3 0.10 0.03 0.09 -0.04 1.68 1.86 3dm0A1 LYS 140 HE2 0.05 0.09 0.05 -0.04 2.99 3.14 3dm0A1 LYS 140 HE3 0.04 -0.07 -0.02 -0.04 2.99 2.90 3dm0A1 ALA 141 H 0.02 0.42 -0.28 -0.55 8.40 8.02 3dm0A1 ALA 141 HA 0.02 -0.02 0.43 -0.75 4.34 4.01 3dm0A1 ALA 141 HB3 0.01 0.04 0.13 -0.04 1.41 1.55 3dm0A1 LYS 142 H 0.01 0.33 -0.45 -0.55 8.42 7.76 3dm0A1 LYS 142 HA 0.01 0.06 0.69 -0.75 4.32 4.32 3dm0A1 LYS 142 HB2 0.01 0.11 0.07 -0.04 1.87 2.02 3dm0A1 LYS 142 HB3 0.00 -0.06 0.18 -0.04 1.79 1.87 3dm0A1 LYS 142 HG2 0.01 -0.08 -0.00 -0.04 1.46 1.34 3dm0A1 LYS 142 HG3 0.01 0.12 0.05 -0.04 1.46 1.60 3dm0A1 LYS 142 HD2 0.01 0.03 0.02 -0.04 1.69 1.71 3dm0A1 LYS 142 HD3 0.00 -0.03 0.03 -0.04 1.68 1.64 3dm0A1 LYS 142 HE2 0.00 -0.07 0.00 -0.04 2.99 2.88 3dm0A1 LYS 142 HE3 0.01 0.04 -0.03 -0.04 2.99 2.96 3dm0A1 GLY 143 H 0.01 0.49 -0.44 -0.55 8.43 7.95 3dm0A1 GLY 143 HA2 0.01 -0.02 0.34 -0.51 4.01 3.83 3dm0A1 GLY 143 HA3 0.01 -0.04 0.41 -0.51 4.01 3.87 3dm0A1 LYS 144 H 0.02 0.45 0.04 -0.55 8.42 8.37 3dm0A1 LYS 144 HA 0.02 0.19 0.76 -0.75 4.32 4.53 3dm0A1 LYS 144 HB2 0.02 -0.07 -0.10 -0.04 1.87 1.67 3dm0A1 LYS 144 HB3 0.02 0.01 0.02 -0.04 1.79 1.79 3dm0A1 LYS 144 HG2 0.00 0.13 -0.52 -0.04 1.46 1.04 3dm0A1 LYS 144 HG3 0.00 -0.10 -0.08 -0.04 1.46 1.23 3dm0A1 LYS 144 HD2 -0.01 0.05 0.12 -0.04 1.69 1.81 3dm0A1 LYS 144 HD3 0.00 0.21 0.30 -0.04 1.68 2.15 3dm0A1 LYS 144 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 3dm0A1 LYS 144 HE3 -0.02 -0.07 0.03 -0.04 2.99 2.88 3dm0A1 SER 145 H 0.04 0.46 0.29 -0.55 8.46 8.70 3dm0A1 SER 145 HA 0.05 0.20 0.89 -0.75 4.49 4.87 3dm0A1 SER 145 HB2 0.07 -0.01 0.06 -0.04 3.95 4.02 3dm0A1 SER 145 HB3 0.05 0.04 -0.02 -0.04 3.93 3.95 3dm0A1 ALA 146 H 0.06 0.18 0.21 -0.55 8.40 8.31 3dm0A1 ALA 146 HA 0.05 0.13 0.62 -0.75 4.34 4.38 3dm0A1 ALA 146 HB3 0.02 0.02 -0.01 -0.04 1.41 1.40 3dm0A1 LEU 147 H 0.09 0.22 0.07 -0.55 8.37 8.21 3dm0A1 LEU 147 HA 0.11 0.31 0.76 -0.75 4.35 4.78 3dm0A1 LEU 147 HB2 0.03 0.08 -0.31 -0.04 1.64 1.40 3dm0A1 LEU 147 HB3 0.13 -0.02 -0.07 -0.04 1.64 1.63 3dm0A1 LEU 147 HG 0.37 -0.06 -0.43 -0.04 1.64 1.48 3dm0A1 LEU 147 HD13 -0.01 0.05 -0.35 -0.04 0.93 0.57 3dm0A1 LEU 147 HD23 0.10 -0.01 -0.17 -0.04 0.89 0.78 3dm0A1 MET 148 H 0.15 0.63 0.21 -0.55 8.47 8.91 3dm0A1 MET 148 HA 0.11 0.11 0.75 -0.75 4.52 4.74 3dm0A1 MET 148 HB2 0.09 0.07 0.06 -0.04 2.15 2.33 3dm0A1 MET 148 HB3 0.04 -0.11 -0.02 -0.04 2.03 1.90 3dm0A1 MET 148 HG2 0.06 0.10 -0.01 -0.04 2.63 2.73 3dm0A1 MET 148 HG3 0.08 -0.02 -0.43 -0.04 2.56 2.15 3dm0A1 MET 148 HE3 0.01 -0.03 -0.08 -0.04 2.10 1.96 3dm0A1 PHE 149 H -0.06 0.34 0.14 -0.55 8.34 8.21 3dm0A1 PHE 149 HA -0.11 0.10 0.61 -0.75 4.62 4.46 3dm0A1 PHE 149 HB2 0.03 0.06 0.17 -0.04 3.15 3.36 3dm0A1 PHE 149 HB3 0.03 -0.01 -0.10 -0.04 3.06 2.93 3dm0A1 PHE 149 HD2 0.18 -0.05 -0.29 -0.04 7.28 7.08 3dm0A1 PHE 149 HE2 0.29 0.02 -0.34 -0.04 7.38 7.30 3dm0A1 PHE 149 HZ 0.21 -0.01 -0.14 -0.04 7.32 7.34 3dm0A1 ASN 150 H -0.27 0.15 0.08 -0.55 8.53 7.94 3dm0A1 ASN 150 HA -0.20 0.14 0.16 -0.75 4.76 4.11 3dm0A1 ASN 150 HB2 -0.42 0.01 -0.04 -0.04 2.88 2.39 3dm0A1 ASN 150 HB3 -1.19 0.05 0.18 -0.04 2.79 1.78 3dm0A1 ASN 150 HD21 0.10 0.03 0.02 -0.04 7.03 7.14 3dm0A1 ASN 150 HD22 -0.08 0.07 0.05 -0.04 7.74 7.74 3dm0A1 LEU 151 H -0.21 0.63 0.33 -0.55 8.37 8.57 3dm0A1 LEU 151 HA -0.12 0.09 0.50 -0.75 4.35 4.06 3dm0A1 LEU 151 HB2 -0.13 0.12 0.05 -0.04 1.64 1.64 3dm0A1 LEU 151 HB3 -0.10 -0.02 0.09 -0.04 1.64 1.57 3dm0A1 LEU 151 HG -0.42 0.12 0.09 -0.04 1.64 1.38 3dm0A1 LEU 151 HD13 -0.13 0.02 -0.10 -0.04 0.93 0.68 3dm0A1 LEU 151 HD23 -0.76 -0.03 -0.19 -0.04 0.89 -0.13 3dm0A1 GLN 152 H -0.02 -0.08 -0.28 -0.55 8.47 7.54 3dm0A1 GLN 152 HA 0.04 0.25 0.61 -0.75 4.36 4.50 3dm0A1 GLN 152 HB2 0.04 -0.15 0.03 -0.04 2.15 2.03 3dm0A1 GLN 152 HB3 0.04 0.04 0.04 -0.04 2.02 2.10 3dm0A1 GLN 152 HG2 -0.01 -0.04 -0.05 -0.04 2.40 2.26 3dm0A1 GLN 152 HG3 0.01 -0.05 -0.03 -0.04 2.39 2.28 3dm0A1 GLN 152 HE21 -0.02 0.45 -0.05 -0.04 6.97 7.31 3dm0A1 GLN 152 HE22 -0.04 0.12 -0.45 -0.04 7.69 7.29 3dm0A1 GLU 153 H 0.17 0.11 -0.15 -0.55 8.60 8.18 3dm0A1 GLU 153 HA 0.15 0.29 0.89 -0.75 4.29 4.88 3dm0A1 GLU 153 HB2 0.54 -0.01 0.12 -0.04 2.09 2.71 3dm0A1 GLU 153 HB3 0.29 -0.11 0.02 -0.04 1.99 2.15 3dm0A1 GLU 153 HG2 0.14 -0.05 -0.11 -0.04 2.34 2.29 3dm0A1 GLU 153 HG3 0.20 -0.04 0.01 -0.04 2.34 2.48 3dm0A1 PRO 154 HA 0.33 0.10 0.33 -0.51 4.44 4.68 3dm0A1 PRO 154 HB2 0.55 0.02 -0.06 -0.04 2.28 2.76 3dm0A1 PRO 154 HB3 0.26 0.11 -0.15 -0.04 2.02 2.20 3dm0A1 PRO 154 HG2 0.16 -0.07 0.08 -0.04 2.03 2.16 3dm0A1 PRO 154 HG3 0.27 0.26 0.12 -0.04 2.03 2.64 3dm0A1 PRO 154 HD2 0.09 0.04 0.26 -0.04 3.68 4.03 3dm0A1 PRO 154 HD3 0.15 0.28 0.19 -0.04 3.65 4.23 3dm0A1 TYR 155 H 0.08 0.10 -0.30 -0.55 8.29 7.62 3dm0A1 TYR 155 HA 0.10 0.06 0.34 -0.75 4.56 4.31 3dm0A1 TYR 155 HB2 -0.49 -0.01 0.06 -0.04 3.06 2.57 3dm0A1 TYR 155 HB3 -0.24 -0.03 -0.01 -0.04 2.98 2.66 3dm0A1 TYR 155 HD2 -0.67 -0.01 -0.07 -0.04 7.15 6.36 3dm0A1 TYR 155 HE2 0.08 0.02 -0.06 -0.04 6.85 6.85 3dm0A1 PHE 156 H 0.55 0.32 -0.30 -0.55 8.34 8.35 3dm0A1 PHE 156 HA 0.15 0.08 0.51 -0.75 4.62 4.61 3dm0A1 PHE 156 HB2 0.38 0.33 0.10 -0.04 3.15 3.92 3dm0A1 PHE 156 HB3 0.61 -0.03 -0.02 -0.04 3.06 3.58 3dm0A1 PHE 156 HD2 0.28 0.09 0.03 -0.04 7.28 7.65 3dm0A1 PHE 156 HE2 0.32 -0.03 0.07 -0.04 7.38 7.70 3dm0A1 PHE 156 HZ 0.66 -0.05 0.02 -0.04 7.32 7.91 3dm0A1 THR 157 H 0.43 0.20 -0.16 -0.55 8.28 8.20 3dm0A1 THR 157 HA 0.38 0.18 0.74 -0.75 4.39 4.93 3dm0A1 THR 157 HB 0.18 -0.05 -0.01 -0.04 4.32 4.40 3dm0A1 THR 157 HG23 0.27 0.03 -0.12 -0.04 1.22 1.36 3dm0A1 TRP 158 H 0.49 0.64 -0.07 -0.55 7.97 8.48 3dm0A1 TRP 158 HA 0.10 -0.05 0.32 -0.75 4.62 4.24 3dm0A1 TRP 158 HB2 0.43 0.01 -0.00 -0.04 3.23 3.63 3dm0A1 TRP 158 HB3 0.25 0.09 0.05 -0.04 3.23 3.58 3dm0A1 TRP 158 HD1 -0.07 -0.03 -0.11 -0.04 7.22 6.97 3dm0A1 TRP 158 HE1 -0.96 0.09 -0.10 -0.04 10.20 9.18 3dm0A1 TRP 158 HE3 0.16 0.01 -0.06 -0.04 7.59 7.65 3dm0A1 TRP 158 HZ2 -0.09 -0.05 -0.26 -0.04 7.44 7.00 3dm0A1 TRP 158 HZ3 0.11 0.02 -0.11 -0.04 7.13 7.10 3dm0A1 TRP 158 HH2 0.11 0.07 -0.45 -0.04 7.19 6.87 3dm0A1 PRO 159 HA -0.16 0.21 -0.06 -0.51 4.44 3.92 3dm0A1 PRO 159 HB2 0.05 0.06 -0.18 -0.04 2.28 2.17 3dm0A1 PRO 159 HB3 0.01 0.06 -0.27 -0.04 2.02 1.78 3dm0A1 PRO 159 HG2 0.00 0.07 -0.07 -0.04 2.03 1.99 3dm0A1 PRO 159 HG3 0.04 -0.10 -0.04 -0.04 2.03 1.88 3dm0A1 PRO 159 HD2 0.13 0.24 -0.60 -0.04 3.68 3.41 3dm0A1 PRO 159 HD3 0.22 0.22 -0.09 -0.04 3.65 3.96 3dm0A1 LEU 160 H -0.17 0.31 -0.42 -0.55 8.37 7.55 3dm0A1 LEU 160 HA -0.45 0.11 0.51 -0.75 4.35 3.77 3dm0A1 LEU 160 HB2 -0.98 0.01 -0.02 -0.04 1.64 0.60 3dm0A1 LEU 160 HB3 -0.46 0.14 0.03 -0.04 1.64 1.31 3dm0A1 LEU 160 HG -0.82 -0.05 -0.30 -0.04 1.64 0.43 3dm0A1 LEU 160 HD13 -1.98 -0.01 -0.02 -0.04 0.93 -1.12 3dm0A1 LEU 160 HD23 -0.97 -0.00 -0.08 -0.04 0.89 -0.21 3dm0A1 ILE 161 H -0.35 0.35 -0.10 -0.55 8.25 7.60 3dm0A1 ILE 161 HA -0.33 -0.05 0.45 -0.75 4.18 3.49 3dm0A1 ILE 161 HB -0.54 0.05 0.12 -0.04 1.89 1.47 3dm0A1 ILE 161 HG12 -0.12 -0.06 -0.02 -0.04 1.49 1.26 3dm0A1 ILE 161 HG13 -0.15 0.09 -0.08 -0.04 1.21 1.03 3dm0A1 ILE 161 HG23 -0.27 0.00 -0.06 -0.04 0.93 0.56 3dm0A1 ILE 161 HD13 0.14 -0.01 -0.11 -0.04 0.88 0.86 3dm0A1 ALA 162 H -1.04 0.69 -0.08 -0.55 8.40 7.42 3dm0A1 ALA 162 HA -0.55 -0.09 0.37 -0.75 4.34 3.32 3dm0A1 ALA 162 HB3 -0.93 0.02 0.01 -0.04 1.41 0.46 3dm0A1 ALA 163 H -0.31 0.19 -0.56 -0.55 8.40 7.17 3dm0A1 ALA 163 HA -0.09 0.18 0.30 -0.75 4.34 3.98 3dm0A1 ALA 163 HB3 -0.03 0.03 0.00 -0.04 1.41 1.37 3dm0A1 ASP 164 H -0.01 0.18 -0.32 -0.55 8.40 7.70 3dm0A1 ASP 164 HA -0.02 0.29 0.89 -0.75 4.63 5.04 3dm0A1 ASP 164 HB2 0.08 0.02 -0.06 -0.04 2.71 2.70 3dm0A1 ASP 164 HB3 0.10 0.01 0.08 -0.04 2.70 2.85 3dm0A1 GLY 165 H -0.06 0.72 -0.26 -0.55 8.43 8.29 3dm0A1 GLY 165 HA2 0.04 0.06 0.28 -0.51 4.01 3.88 3dm0A1 GLY 165 HA3 0.02 0.02 0.97 -0.51 4.01 4.50 3dm0A1 GLY 166 H -0.13 0.21 -0.10 -0.55 8.43 7.87 3dm0A1 GLY 166 HA2 -0.08 0.08 0.46 -0.51 4.01 3.96 3dm0A1 GLY 166 HA3 -0.24 0.00 0.15 -0.51 4.01 3.41 3dm0A1 TYR 167 H -0.06 0.48 0.17 -0.55 8.29 8.33 3dm0A1 TYR 167 HA 0.43 0.14 0.46 -0.75 4.56 4.83 3dm0A1 TYR 167 HB2 0.13 -0.07 -0.03 -0.04 3.06 3.05 3dm0A1 TYR 167 HB3 0.09 0.22 -0.20 -0.04 2.98 3.05 3dm0A1 TYR 167 HD2 0.06 0.13 -0.49 -0.04 7.15 6.81 3dm0A1 TYR 167 HE2 0.07 0.09 -0.17 -0.04 6.85 6.80 3dm0A1 ALA 168 H 0.18 0.19 0.02 -0.55 8.40 8.24 3dm0A1 ALA 168 HA -0.55 0.10 0.65 -0.75 4.34 3.79 3dm0A1 ALA 168 HB3 -1.49 0.00 0.08 -0.04 1.41 -0.03 3dm0A1 PHE 169 H -0.05 0.16 0.09 -0.55 8.34 7.99 3dm0A1 PHE 169 HA 0.20 0.40 0.92 -0.75 4.62 5.38 3dm0A1 PHE 169 HB2 0.06 -0.07 -0.02 -0.04 3.15 3.07 3dm0A1 PHE 169 HB3 0.14 0.08 -0.26 -0.04 3.06 2.98 3dm0A1 PHE 169 HD2 -0.16 0.03 -0.18 -0.04 7.28 6.93 3dm0A1 PHE 169 HE2 -0.15 0.09 -0.21 -0.04 7.38 7.07 3dm0A1 PHE 169 HZ -0.02 0.13 -0.15 -0.04 7.32 7.24 3dm0A1 LYS 170 H 0.39 0.71 0.27 -0.55 8.42 9.24 3dm0A1 LYS 170 HA -0.15 0.02 0.36 -0.75 4.32 3.80 3dm0A1 LYS 170 HB2 0.14 0.05 0.11 -0.04 1.87 2.12 3dm0A1 LYS 170 HB3 0.14 -0.09 0.19 -0.04 1.79 1.99 3dm0A1 LYS 170 HG2 0.01 -0.05 -0.10 -0.04 1.46 1.29 3dm0A1 LYS 170 HG3 -0.03 0.09 -0.25 -0.04 1.46 1.23 3dm0A1 LYS 170 HD2 -0.26 0.02 0.03 -0.04 1.69 1.43 3dm0A1 LYS 170 HD3 -0.05 -0.01 -0.01 -0.04 1.68 1.56 3dm0A1 LYS 170 HE2 -0.01 -0.04 -0.04 -0.04 2.99 2.86 3dm0A1 LYS 170 HE3 -0.06 0.06 -0.02 -0.04 2.99 2.93 3dm0A1 TYR 171 H 0.05 0.18 0.23 -0.55 8.29 8.20 3dm0A1 TYR 171 HA -0.17 0.26 1.01 -0.75 4.56 4.90 3dm0A1 TYR 171 HB2 -0.10 0.05 0.02 -0.04 3.06 2.99 3dm0A1 TYR 171 HB3 -0.09 -0.01 0.13 -0.04 2.98 2.97 3dm0A1 TYR 171 HD2 -0.90 -0.00 -0.21 -0.04 7.15 6.00 3dm0A1 TYR 171 HE2 -0.25 0.02 -0.21 -0.04 6.85 6.37 3dm0A1 GLU 172 H -0.62 0.85 0.31 -0.55 8.60 8.60 3dm0A1 GLU 172 HA -0.26 0.06 0.64 -0.75 4.29 3.97 3dm0A1 GLU 172 HB2 -0.11 0.11 -0.28 -0.04 2.09 1.77 3dm0A1 GLU 172 HB3 -0.13 0.01 -0.10 -0.04 1.99 1.72 3dm0A1 GLU 172 HG2 -0.10 0.01 -0.16 -0.04 2.34 2.05 3dm0A1 GLU 172 HG3 -0.09 -0.05 0.10 -0.04 2.34 2.26 3dm0A1 ASN 173 H -0.18 0.18 0.14 -0.55 8.53 8.13 3dm0A1 ASN 173 HA -0.12 0.04 0.35 -0.75 4.76 4.27 3dm0A1 ASN 173 HB2 -0.10 -0.03 -0.06 -0.04 2.88 2.66 3dm0A1 ASN 173 HB3 -0.12 0.13 0.02 -0.04 2.79 2.77 3dm0A1 ASN 173 HD21 -0.04 -0.00 0.03 -0.04 7.03 6.97 3dm0A1 ASN 173 HD22 -0.06 0.02 0.06 -0.04 7.74 7.71 3dm0A1 GLY 174 H -0.43 0.02 -0.26 -0.55 8.43 7.22 3dm0A1 GLY 174 HA2 -0.07 -0.01 0.22 -0.51 4.01 3.64 3dm0A1 GLY 174 HA3 -0.08 0.07 0.37 -0.51 4.01 3.86 3dm0A1 LYS 175 H -0.74 0.34 -0.25 -0.55 8.42 7.22 3dm0A1 LYS 175 HA -0.10 0.09 0.79 -0.75 4.32 4.35 3dm0A1 LYS 175 HB2 -0.10 0.09 -0.27 -0.04 1.87 1.55 3dm0A1 LYS 175 HB3 -0.15 0.06 -0.07 -0.04 1.79 1.60 3dm0A1 LYS 175 HG2 -0.00 0.08 -0.05 -0.04 1.46 1.44 3dm0A1 LYS 175 HG3 0.01 -0.04 0.13 -0.04 1.46 1.51 3dm0A1 LYS 175 HD2 -0.03 0.02 -0.02 -0.04 1.69 1.62 3dm0A1 LYS 175 HD3 -0.03 -0.02 -0.06 -0.04 1.68 1.52 3dm0A1 LYS 175 HE2 0.00 -0.02 0.04 -0.04 2.99 2.97 3dm0A1 LYS 175 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.93 3dm0A1 TYR 176 H 0.14 0.15 0.17 -0.55 8.29 8.20 3dm0A1 TYR 176 HA 0.12 0.34 0.93 -0.75 4.56 5.20 3dm0A1 TYR 176 HB2 0.06 -0.06 0.14 -0.04 3.06 3.15 3dm0A1 TYR 176 HB3 0.07 0.00 -0.13 -0.04 2.98 2.89 3dm0A1 TYR 176 HD2 0.22 0.10 -0.09 -0.04 7.15 7.34 3dm0A1 TYR 176 HE2 0.15 0.04 -0.03 -0.04 6.85 6.97 3dm0A1 ASP 177 H 0.19 0.73 0.17 -0.55 8.40 8.95 3dm0A1 ASP 177 HA 0.06 0.12 0.69 -0.75 4.63 4.75 3dm0A1 ASP 177 HB2 0.05 0.08 0.05 -0.04 2.71 2.85 3dm0A1 ASP 177 HB3 0.13 0.02 0.29 -0.04 2.70 3.10 3dm0A1 ILE 178 H -0.01 0.27 0.06 -0.55 8.25 8.03 3dm0A1 ILE 178 HA -0.23 0.06 0.19 -0.75 4.18 3.44 3dm0A1 ILE 178 HB -0.34 0.08 0.14 -0.04 1.89 1.73 3dm0A1 ILE 178 HG12 -0.03 -0.05 0.03 -0.04 1.49 1.39 3dm0A1 ILE 178 HG13 -0.01 0.08 -0.35 -0.04 1.21 0.89 3dm0A1 ILE 178 HG23 -0.29 0.00 0.01 -0.04 0.93 0.61 3dm0A1 ILE 178 HD13 -0.04 0.01 -0.00 -0.04 0.88 0.82 3dm0A1 LYS 179 H 0.10 -0.07 -0.70 -0.55 8.42 7.19 3dm0A1 LYS 179 HA 0.11 0.29 0.92 -0.75 4.32 4.89 3dm0A1 LYS 179 HB2 0.07 -0.06 -0.00 -0.04 1.87 1.83 3dm0A1 LYS 179 HB3 0.06 0.01 0.04 -0.04 1.79 1.87 3dm0A1 LYS 179 HG2 0.04 -0.10 -0.17 -0.04 1.46 1.19 3dm0A1 LYS 179 HG3 0.04 -0.00 -0.03 -0.04 1.46 1.42 3dm0A1 LYS 179 HD2 0.04 -0.03 0.03 -0.04 1.69 1.69 3dm0A1 LYS 179 HD3 0.06 0.21 0.01 -0.04 1.68 1.93 3dm0A1 LYS 179 HE2 0.03 -0.05 -0.08 -0.04 2.99 2.85 3dm0A1 LYS 179 HE3 0.03 -0.07 -0.02 -0.04 2.99 2.89 3dm0A1 ASP 180 H 0.18 0.22 -0.01 -0.55 8.40 8.25 3dm0A1 ASP 180 HA 0.15 0.13 0.64 -0.75 4.63 4.80 3dm0A1 ASP 180 HB2 0.13 -0.04 0.13 -0.04 2.71 2.89 3dm0A1 ASP 180 HB3 0.21 -0.05 0.34 -0.04 2.70 3.17 3dm0A1 VAL 181 H 0.13 0.33 0.09 -0.55 8.24 8.25 3dm0A1 VAL 181 HA 0.07 0.49 0.88 -0.75 4.13 4.81 3dm0A1 VAL 181 HB 0.06 0.00 0.13 -0.04 2.12 2.28 3dm0A1 VAL 181 HG13 -0.03 -0.08 -0.01 -0.04 0.97 0.81 3dm0A1 VAL 181 HG23 0.20 0.01 -0.26 -0.04 0.95 0.86 3dm0A1 GLY 182 H -0.32 0.57 0.09 -0.55 8.43 8.22 3dm0A1 GLY 182 HA2 -0.59 0.13 0.81 -0.51 4.01 3.85 3dm0A1 GLY 182 HA3 -2.18 -0.00 0.32 -0.51 4.01 1.64 3dm0A1 VAL 183 H -0.07 0.18 -0.15 -0.55 8.24 7.65 3dm0A1 VAL 183 HA 0.13 0.11 0.61 -0.75 4.13 4.23 3dm0A1 VAL 183 HB 0.15 -0.02 0.06 -0.04 2.12 2.26 3dm0A1 VAL 183 HG13 0.21 0.02 -0.02 -0.04 0.97 1.14 3dm0A1 VAL 183 HG23 0.03 0.01 -0.28 -0.04 0.95 0.66 3dm0A1 ASP 184 H -0.05 0.14 -0.24 -0.55 8.40 7.71 3dm0A1 ASP 184 HA -0.00 0.26 0.95 -0.75 4.63 5.08 3dm0A1 ASP 184 HB2 0.00 -0.02 -0.02 -0.04 2.71 2.64 3dm0A1 ASP 184 HB3 0.01 0.07 -0.37 -0.04 2.70 2.37 3dm0A1 ASN 185 H -0.06 0.15 -0.29 -0.55 8.53 7.78 3dm0A1 ASN 185 HA -0.01 0.21 0.56 -0.75 4.76 4.77 3dm0A1 ASN 185 HB2 0.02 -0.07 0.14 -0.04 2.88 2.93 3dm0A1 ASN 185 HB3 -0.03 0.09 0.05 -0.04 2.79 2.85 3dm0A1 ASN 185 HD21 -0.07 0.30 0.03 -0.04 7.03 7.25 3dm0A1 ASN 185 HD22 -0.10 -0.03 0.04 -0.04 7.74 7.60 3dm0A1 ALA 186 H 0.01 0.20 0.12 -0.55 8.40 8.18 3dm0A1 ALA 186 HA 0.01 0.08 0.35 -0.75 4.34 4.03 3dm0A1 ALA 186 HB3 0.01 0.04 0.10 -0.04 1.41 1.51 3dm0A1 GLY 187 H 0.01 0.09 -0.22 -0.55 8.43 7.76 3dm0A1 GLY 187 HA2 0.01 0.16 0.27 -0.51 4.01 3.94 3dm0A1 GLY 187 HA3 -0.01 0.09 -0.09 -0.51 4.01 3.49 3dm0A1 ALA 188 H -0.05 0.07 -0.32 -0.55 8.40 7.56 3dm0A1 ALA 188 HA -0.15 0.20 0.40 -0.75 4.34 4.04 3dm0A1 ALA 188 HB3 -0.05 0.01 -0.03 -0.04 1.41 1.31 3dm0A1 LYS 189 H -0.01 0.50 -0.43 -0.55 8.42 7.93 3dm0A1 LYS 189 HA -0.00 -0.02 0.35 -0.75 4.32 3.90 3dm0A1 LYS 189 HB2 0.01 0.15 0.05 -0.04 1.87 2.04 3dm0A1 LYS 189 HB3 0.02 -0.10 -0.07 -0.04 1.79 1.59 3dm0A1 LYS 189 HG2 0.01 -0.10 -0.11 -0.04 1.46 1.21 3dm0A1 LYS 189 HG3 0.00 0.28 -0.25 -0.04 1.46 1.45 3dm0A1 LYS 189 HD2 0.01 -0.02 -0.17 -0.04 1.69 1.46 3dm0A1 LYS 189 HD3 0.01 -0.10 -0.07 -0.04 1.68 1.48 3dm0A1 LYS 189 HE2 0.01 -0.11 -0.02 -0.04 2.99 2.83 3dm0A1 LYS 189 HE3 0.00 0.41 -0.05 -0.04 2.99 3.31 3dm0A1 ALA 190 H 0.03 0.61 -0.12 -0.55 8.40 8.37 3dm0A1 ALA 190 HA 0.11 -0.02 0.45 -0.75 4.34 4.13 3dm0A1 ALA 190 HB3 0.14 0.03 0.11 -0.04 1.41 1.65 3dm0A1 GLY 191 H -0.02 0.48 -0.20 -0.55 8.43 8.14 3dm0A1 GLY 191 HA2 -0.76 0.03 0.41 -0.51 4.01 3.18 3dm0A1 GLY 191 HA3 -0.35 0.18 0.26 -0.51 4.01 3.59 3dm0A1 LEU 192 H -0.09 0.64 0.03 -0.55 8.37 8.40 3dm0A1 LEU 192 HA -0.08 0.03 0.39 -0.75 4.35 3.93 3dm0A1 LEU 192 HB2 -0.03 0.03 0.10 -0.04 1.64 1.71 3dm0A1 LEU 192 HB3 -0.02 0.04 0.10 -0.04 1.64 1.72 3dm0A1 LEU 192 HG -0.00 -0.04 -0.16 -0.04 1.64 1.39 3dm0A1 LEU 192 HD13 0.00 -0.01 0.06 -0.04 0.93 0.94 3dm0A1 LEU 192 HD23 0.02 0.01 -0.10 -0.04 0.89 0.78 3dm0A1 THR 193 H -0.00 0.57 -0.30 -0.55 8.28 8.00 3dm0A1 THR 193 HA 0.00 -0.03 0.41 -0.75 4.39 4.02 3dm0A1 THR 193 HB 0.08 0.14 0.14 -0.04 4.32 4.64 3dm0A1 THR 193 HG23 0.06 -0.02 -0.15 -0.04 1.22 1.07 3dm0A1 PHE 194 H 0.10 0.48 -0.23 -0.55 8.34 8.13 3dm0A1 PHE 194 HA 0.02 -0.01 0.37 -0.75 4.62 4.25 3dm0A1 PHE 194 HB2 -0.01 0.09 0.16 -0.04 3.15 3.35 3dm0A1 PHE 194 HB3 -0.46 0.13 0.12 -0.04 3.06 2.80 3dm0A1 PHE 194 HD2 -0.04 0.02 -0.11 -0.04 7.28 7.11 3dm0A1 PHE 194 HE2 0.30 0.02 -0.06 -0.04 7.38 7.59 3dm0A1 PHE 194 HZ 0.21 0.10 -0.16 -0.04 7.32 7.43 3dm0A1 LEU 195 H -0.06 0.49 -0.25 -0.55 8.37 8.01 3dm0A1 LEU 195 HA -0.02 0.00 0.36 -0.75 4.35 3.93 3dm0A1 LEU 195 HB2 -0.11 0.01 0.06 -0.04 1.64 1.56 3dm0A1 LEU 195 HB3 -0.05 0.14 0.19 -0.04 1.64 1.87 3dm0A1 LEU 195 HG -0.00 0.02 -0.23 -0.04 1.64 1.39 3dm0A1 LEU 195 HD13 0.10 -0.01 -0.05 -0.04 0.93 0.92 3dm0A1 LEU 195 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.83 3dm0A1 VAL 196 H -0.04 0.71 0.00 -0.55 8.24 8.36 3dm0A1 VAL 196 HA -0.03 0.01 0.35 -0.75 4.13 3.71 3dm0A1 VAL 196 HB -0.02 0.03 0.16 -0.04 2.12 2.24 3dm0A1 VAL 196 HG13 -0.02 0.00 -0.03 -0.04 0.97 0.88 3dm0A1 VAL 196 HG23 -0.01 0.03 -0.07 -0.04 0.95 0.86 3dm0A1 ASP 197 H -0.09 0.72 -0.21 -0.55 8.40 8.26 3dm0A1 ASP 197 HA -0.06 -0.03 0.44 -0.75 4.63 4.22 3dm0A1 ASP 197 HB2 -0.25 0.15 0.17 -0.04 2.71 2.73 3dm0A1 ASP 197 HB3 -0.11 -0.07 0.02 -0.04 2.70 2.50 3dm0A1 LEU 198 H -0.21 0.60 -0.15 -0.55 8.37 8.06 3dm0A1 LEU 198 HA 0.03 -0.04 0.36 -0.75 4.35 3.95 3dm0A1 LEU 198 HB2 -0.01 0.31 0.21 -0.04 1.64 2.11 3dm0A1 LEU 198 HB3 0.09 -0.09 -0.08 -0.04 1.64 1.52 3dm0A1 LEU 198 HG -0.50 0.16 0.04 -0.04 1.64 1.30 3dm0A1 LEU 198 HD13 0.38 -0.03 -0.07 -0.04 0.93 1.17 3dm0A1 LEU 198 HD23 0.07 -0.02 -0.03 -0.04 0.89 0.87 3dm0A1 ILE 199 H -0.03 0.42 -0.17 -0.55 8.25 7.91 3dm0A1 ILE 199 HA -0.02 0.23 0.55 -0.75 4.18 4.19 3dm0A1 ILE 199 HB -0.03 0.16 0.21 -0.04 1.89 2.19 3dm0A1 ILE 199 HG12 -0.02 0.00 -0.19 -0.04 1.49 1.24 3dm0A1 ILE 199 HG13 -0.02 0.08 -0.05 -0.04 1.21 1.18 3dm0A1 ILE 199 HG23 -0.03 -0.01 0.05 -0.04 0.93 0.90 3dm0A1 ILE 199 HD13 -0.03 -0.03 -0.05 -0.04 0.88 0.73 3dm0A1 LYS 200 H -0.05 0.54 -0.02 -0.55 8.42 8.33 3dm0A1 LYS 200 HA -0.04 0.03 0.49 -0.75 4.32 4.04 3dm0A1 LYS 200 HB2 -0.04 0.03 0.22 -0.04 1.87 2.03 3dm0A1 LYS 200 HB3 -0.04 -0.07 0.06 -0.04 1.79 1.70 3dm0A1 LYS 200 HG2 -0.03 0.18 -0.01 -0.04 1.46 1.56 3dm0A1 LYS 200 HG3 -0.02 -0.10 0.02 -0.04 1.46 1.32 3dm0A1 LYS 200 HD2 -0.02 -0.05 0.05 -0.04 1.69 1.63 3dm0A1 LYS 200 HD3 -0.03 -0.01 -0.06 -0.04 1.68 1.54 3dm0A1 LYS 200 HE2 -0.02 0.02 0.02 -0.04 2.99 2.97 3dm0A1 LYS 200 HE3 -0.01 -0.08 0.01 -0.04 2.99 2.87 3dm0A1 ASN 201 H -0.08 0.77 0.00 -0.55 8.53 8.67 3dm0A1 ASN 201 HA -0.12 0.06 0.56 -0.75 4.76 4.50 3dm0A1 ASN 201 HB2 -0.13 0.04 0.09 -0.04 2.88 2.83 3dm0A1 ASN 201 HB3 -0.21 -0.05 0.17 -0.04 2.79 2.66 3dm0A1 ASN 201 HD21 -0.01 -0.08 -0.00 -0.04 7.03 6.90 3dm0A1 ASN 201 HD22 0.02 -0.01 -0.06 -0.04 7.74 7.65 3dm0A1 LYS 202 H -0.11 0.32 -1.14 -0.55 8.42 6.93 3dm0A1 LYS 202 HA -0.08 0.09 0.33 -0.75 4.32 3.91 3dm0A1 LYS 202 HB2 -0.13 0.06 -0.18 -0.04 1.87 1.58 3dm0A1 LYS 202 HB3 -0.07 -0.09 0.17 -0.04 1.79 1.76 3dm0A1 LYS 202 HG2 -0.05 0.00 0.08 -0.04 1.46 1.45 3dm0A1 LYS 202 HG3 -0.07 0.19 -0.00 -0.04 1.46 1.54 3dm0A1 LYS 202 HD2 -0.04 -0.05 0.02 -0.04 1.69 1.58 3dm0A1 LYS 202 HD3 -0.03 -0.04 0.03 -0.04 1.68 1.59 3dm0A1 LYS 202 HE2 -0.03 -0.07 0.01 -0.04 2.99 2.86 3dm0A1 LYS 202 HE3 -0.05 0.04 0.01 -0.04 2.99 2.95 3dm0A1 HIS 203 H -0.06 0.72 -0.01 -0.55 8.41 8.52 3dm0A1 HIS 203 HA 0.02 0.14 0.78 -0.75 4.63 4.82 3dm0A1 HIS 203 HB2 0.02 0.00 0.04 -0.04 3.26 3.28 3dm0A1 HIS 203 HB3 0.05 -0.11 0.11 -0.04 3.20 3.21 3dm0A1 HIS 203 HD2 -0.03 -0.05 0.00 -0.04 6.97 6.85 3dm0A1 HIS 203 HE1 0.02 -0.03 0.04 -0.04 7.75 7.74 3dm0A1 MET 204 H 0.03 0.27 -0.10 -0.55 8.47 8.13 3dm0A1 MET 204 HA 0.04 0.03 0.31 -0.75 4.52 4.14 3dm0A1 MET 204 HB2 0.02 -0.07 0.10 -0.04 2.15 2.15 3dm0A1 MET 204 HB3 0.10 0.32 0.19 -0.04 2.03 2.61 3dm0A1 MET 204 HG2 0.11 -0.07 -0.38 -0.04 2.63 2.25 3dm0A1 MET 204 HG3 0.02 -0.01 -0.28 -0.04 2.56 2.24 3dm0A1 MET 204 HE3 0.33 0.02 -0.19 -0.04 2.10 2.22 3dm0A1 ASN 205 H -0.01 0.11 0.13 -0.55 8.53 8.21 3dm0A1 ASN 205 HA -0.02 0.27 0.85 -0.75 4.76 5.10 3dm0A1 ASN 205 HB2 -0.02 -0.12 0.04 -0.04 2.88 2.74 3dm0A1 ASN 205 HB3 -0.02 0.01 0.08 -0.04 2.79 2.83 3dm0A1 ASN 205 HD21 0.00 0.09 -0.03 -0.04 7.03 7.04 3dm0A1 ASN 205 HD22 -0.01 -0.07 -0.02 -0.04 7.74 7.60 3dm0A1 ALA 206 H -0.02 0.26 0.18 -0.55 8.40 8.27 3dm0A1 ALA 206 HA -0.04 0.11 0.34 -0.75 4.34 3.99 3dm0A1 ALA 206 HB3 -0.02 0.04 0.01 -0.04 1.41 1.40 3dm0A1 ASP 207 H -0.03 0.00 -0.45 -0.55 8.40 7.38 3dm0A1 ASP 207 HA -0.02 0.26 0.78 -0.75 4.63 4.90 3dm0A1 ASP 207 HB2 -0.01 -0.01 0.09 -0.04 2.71 2.74 3dm0A1 ASP 207 HB3 -0.01 0.03 -0.03 -0.04 2.70 2.65 3dm0A1 THR 208 H -0.05 0.44 -0.24 -0.55 8.28 7.88 3dm0A1 THR 208 HA -0.04 -0.04 0.43 -0.75 4.39 4.00 3dm0A1 THR 208 HB -0.12 0.11 0.19 -0.04 4.32 4.46 3dm0A1 THR 208 HG23 -0.07 -0.03 -0.17 -0.04 1.22 0.90 3dm0A1 ASP 209 H -0.02 0.05 0.18 -0.55 8.40 8.06 3dm0A1 ASP 209 HA -0.04 0.12 0.84 -0.75 4.63 4.80 3dm0A1 ASP 209 HB2 0.03 -0.13 0.22 -0.04 2.71 2.80 3dm0A1 ASP 209 HB3 0.00 0.23 0.04 -0.04 2.70 2.94 3dm0A1 TYR 210 H 0.10 0.18 0.17 -0.55 8.29 8.19 3dm0A1 TYR 210 HA -0.12 0.12 0.48 -0.75 4.56 4.28 3dm0A1 TYR 210 HB2 -0.07 0.00 0.16 -0.04 3.06 3.11 3dm0A1 TYR 210 HB3 -0.01 -0.00 0.16 -0.04 2.98 3.09 3dm0A1 TYR 210 HD2 -0.02 -0.01 -0.14 -0.04 7.15 6.94 3dm0A1 TYR 210 HE2 0.37 0.03 -0.01 -0.04 6.85 7.20 3dm0A1 SER 211 H 0.16 0.11 0.04 -0.55 8.46 8.22 3dm0A1 SER 211 HA 0.15 0.13 0.41 -0.75 4.49 4.43 3dm0A1 SER 211 HB2 0.08 0.10 0.05 -0.04 3.95 4.14 3dm0A1 SER 211 HB3 0.11 0.00 0.11 -0.04 3.93 4.12 3dm0A1 ILE 212 H 0.02 -0.00 -0.25 -0.55 8.25 7.47 3dm0A1 ILE 212 HA 0.01 0.13 0.37 -0.75 4.18 3.94 3dm0A1 ILE 212 HB -0.01 -0.13 0.07 -0.04 1.89 1.78 3dm0A1 ILE 212 HG12 0.01 0.09 0.01 -0.04 1.49 1.56 3dm0A1 ILE 212 HG13 0.01 -0.12 0.04 -0.04 1.21 1.10 3dm0A1 ILE 212 HG23 -0.00 0.04 -0.14 -0.04 0.93 0.79 3dm0A1 ILE 212 HD13 -0.00 0.02 0.02 -0.04 0.88 0.88 3dm0A1 ALA 213 H -0.05 0.30 -0.30 -0.55 8.40 7.80 3dm0A1 ALA 213 HA 0.01 0.07 0.26 -0.75 4.34 3.93 3dm0A1 ALA 213 HB3 -0.08 0.08 -0.21 -0.04 1.41 1.16 3dm0A1 GLU 214 H -0.11 0.42 -0.19 -0.55 8.60 8.17 3dm0A1 GLU 214 HA -0.03 0.07 0.44 -0.75 4.29 4.01 3dm0A1 GLU 214 HB2 -0.25 -0.02 0.10 -0.04 2.09 1.87 3dm0A1 GLU 214 HB3 0.01 0.00 0.13 -0.04 1.99 2.09 3dm0A1 GLU 214 HG2 0.06 0.04 -0.22 -0.04 2.34 2.18 3dm0A1 GLU 214 HG3 0.03 -0.00 0.01 -0.04 2.34 2.33 3dm0A1 ALA 215 H 0.02 0.64 -0.08 -0.55 8.40 8.43 3dm0A1 ALA 215 HA 0.04 0.04 0.40 -0.75 4.34 4.06 3dm0A1 ALA 215 HB3 0.03 0.01 0.09 -0.04 1.41 1.49 3dm0A1 ALA 216 H 0.03 0.58 -0.10 -0.55 8.40 8.37 3dm0A1 ALA 216 HA 0.02 0.03 0.30 -0.75 4.34 3.94 3dm0A1 ALA 216 HB3 0.05 0.01 0.01 -0.04 1.41 1.44 3dm0A1 PHE 217 H 0.17 0.42 -0.34 -0.55 8.34 8.03 3dm0A1 PHE 217 HA -0.00 0.11 0.47 -0.75 4.62 4.44 3dm0A1 PHE 217 HB2 -0.01 0.04 -0.00 -0.04 3.15 3.13 3dm0A1 PHE 217 HB3 -0.04 0.00 0.06 -0.04 3.06 3.04 3dm0A1 PHE 217 HD2 -0.04 0.02 -0.33 -0.04 7.28 6.90 3dm0A1 PHE 217 HE2 -0.07 0.08 -0.24 -0.04 7.38 7.11 3dm0A1 PHE 217 HZ -0.00 -0.01 -0.59 -0.04 7.32 6.69 3dm0A1 ASN 218 H 0.11 0.57 -0.03 -0.55 8.53 8.63 3dm0A1 ASN 218 HA -0.09 0.04 0.50 -0.75 4.76 4.46 3dm0A1 ASN 218 HB2 0.04 0.05 0.12 -0.04 2.88 3.04 3dm0A1 ASN 218 HB3 0.01 -0.00 0.05 -0.04 2.79 2.80 3dm0A1 ASN 218 HD21 0.07 -0.14 -0.22 -0.04 7.03 6.70 3dm0A1 ASN 218 HD22 0.05 -0.00 -0.15 -0.04 7.74 7.60 3dm0A1 LYS 219 H -0.02 0.55 -0.26 -0.55 8.42 8.13 3dm0A1 LYS 219 HA -0.04 0.10 0.57 -0.75 4.32 4.20 3dm0A1 LYS 219 HB2 -0.01 0.04 0.05 -0.04 1.87 1.90 3dm0A1 LYS 219 HB3 -0.02 -0.04 0.14 -0.04 1.79 1.84 3dm0A1 LYS 219 HG2 -0.01 -0.01 0.01 -0.04 1.46 1.41 3dm0A1 LYS 219 HG3 0.00 0.04 0.01 -0.04 1.46 1.47 3dm0A1 LYS 219 HD2 0.00 -0.03 -0.11 -0.04 1.69 1.51 3dm0A1 LYS 219 HD3 -0.00 0.00 -0.01 -0.04 1.68 1.63 3dm0A1 LYS 219 HE2 0.01 0.00 -0.02 -0.04 2.99 2.94 3dm0A1 LYS 219 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.87 3dm0A1 GLY 220 H -0.18 0.31 -0.81 -0.55 8.43 7.20 3dm0A1 GLY 220 HA2 -0.24 0.05 0.27 -0.51 4.01 3.59 3dm0A1 GLY 220 HA3 -0.11 0.01 0.31 -0.51 4.01 3.71 3dm0A1 GLU 221 H -0.05 0.34 -0.26 -0.55 8.60 8.09 3dm0A1 GLU 221 HA -0.02 0.18 0.59 -0.75 4.29 4.29 3dm0A1 GLU 221 HB2 0.01 -0.07 0.05 -0.04 2.09 2.04 3dm0A1 GLU 221 HB3 0.01 -0.06 0.06 -0.04 1.99 1.95 3dm0A1 GLU 221 HG2 -0.01 0.06 -0.02 -0.04 2.34 2.33 3dm0A1 GLU 221 HG3 -0.02 0.06 -0.09 -0.04 2.34 2.25 3dm0A1 THR 222 H 0.01 0.27 -0.14 -0.55 8.28 7.87 3dm0A1 THR 222 HA 0.06 0.26 0.94 -0.75 4.39 4.90 3dm0A1 THR 222 HB 0.08 -0.08 -0.24 -0.04 4.32 4.04 3dm0A1 THR 222 HG23 0.24 -0.01 -0.33 -0.04 1.22 1.08 3dm0A1 ALA 223 H 0.09 0.54 0.20 -0.55 8.40 8.68 3dm0A1 ALA 223 HA 0.11 0.03 0.45 -0.75 4.34 4.17 3dm0A1 ALA 223 HB3 0.08 0.02 0.08 -0.04 1.41 1.55 3dm0A1 MET 224 H 0.16 0.28 0.02 -0.55 8.47 8.38 3dm0A1 MET 224 HA 0.18 0.34 1.13 -0.75 4.52 5.42 3dm0A1 MET 224 HB2 0.00 -0.05 0.06 -0.04 2.15 2.13 3dm0A1 MET 224 HB3 -0.03 -0.02 0.05 -0.04 2.03 1.99 3dm0A1 MET 224 HG2 0.11 0.02 -0.15 -0.04 2.63 2.57 3dm0A1 MET 224 HG3 0.07 -0.05 -0.32 -0.04 2.56 2.23 3dm0A1 MET 224 HE3 -0.06 -0.02 -0.10 -0.04 2.10 1.89 3dm0A1 THR 225 H -0.22 0.66 0.42 -0.55 8.28 8.59 3dm0A1 THR 225 HA -0.00 0.19 0.69 -0.75 4.39 4.51 3dm0A1 THR 225 HB -0.19 0.10 -0.07 -0.04 4.32 4.11 3dm0A1 THR 225 HG23 -1.01 0.01 -0.13 -0.04 1.22 0.05 3dm0A1 ILE 226 H 0.03 0.20 0.19 -0.55 8.25 8.12 3dm0A1 ILE 226 HA -0.07 0.38 1.12 -0.75 4.18 4.86 3dm0A1 ILE 226 HB -0.15 -0.10 0.10 -0.04 1.89 1.69 3dm0A1 ILE 226 HG12 -0.20 0.10 -0.09 -0.04 1.49 1.26 3dm0A1 ILE 226 HG13 -0.26 -0.09 -0.52 -0.04 1.21 0.30 3dm0A1 ILE 226 HG23 0.01 0.02 -0.13 -0.04 0.93 0.78 3dm0A1 ILE 226 HD13 -0.69 0.00 -0.13 -0.04 0.88 0.02 3dm0A1 ASN 227 H -0.01 0.56 0.31 -0.55 8.53 8.84 3dm0A1 ASN 227 HA 0.31 0.04 0.60 -0.75 4.76 4.95 3dm0A1 ASN 227 HB2 -0.04 0.01 -0.44 -0.04 2.88 2.36 3dm0A1 ASN 227 HB3 -0.14 0.10 -0.08 -0.04 2.79 2.63 3dm0A1 ASN 227 HD21 -0.01 -0.06 0.02 -0.04 7.03 6.94 3dm0A1 ASN 227 HD22 -0.14 0.06 -0.04 -0.04 7.74 7.58 3dm0A1 GLY 228 H -0.68 0.05 0.12 -0.55 8.43 7.37 3dm0A1 GLY 228 HA2 -0.63 0.37 0.70 -0.51 4.01 3.94 3dm0A1 GLY 228 HA3 -2.24 -0.03 0.28 -0.51 4.01 1.52 3dm0A1 PRO 229 HA -3.33 0.10 0.38 -0.51 4.44 1.08 3dm0A1 PRO 229 HB2 -0.58 0.14 -0.37 -0.04 2.28 1.43 3dm0A1 PRO 229 HB3 -1.47 -0.02 -0.09 -0.04 2.02 0.40 3dm0A1 PRO 229 HG2 -0.32 0.05 0.07 -0.04 2.03 1.78 3dm0A1 PRO 229 HG3 -0.62 0.13 0.06 -0.04 2.03 1.55 3dm0A1 PRO 229 HD2 -0.59 0.06 0.15 -0.04 3.68 3.26 3dm0A1 PRO 229 HD3 -0.52 0.34 0.25 -0.04 3.65 3.67 3dm0A1 TRP 230 H -0.76 0.04 -0.31 -0.55 7.97 6.39 3dm0A1 TRP 230 HA -0.20 0.17 0.37 -0.75 4.62 4.20 3dm0A1 TRP 230 HB2 -0.09 0.29 0.14 -0.04 3.23 3.52 3dm0A1 TRP 230 HB3 -0.15 0.01 0.03 -0.04 3.23 3.09 3dm0A1 TRP 230 HD1 0.08 0.07 -0.26 -0.04 7.22 7.06 3dm0A1 TRP 230 HE1 0.35 -0.01 -0.02 -0.04 10.20 10.48 3dm0A1 TRP 230 HE3 -0.17 0.13 -0.05 -0.04 7.59 7.46 3dm0A1 TRP 230 HZ2 0.15 0.02 -0.01 -0.04 7.44 7.55 3dm0A1 TRP 230 HZ3 -0.09 0.02 -0.03 -0.04 7.13 6.98 3dm0A1 TRP 230 HH2 0.03 0.04 -0.08 -0.04 7.19 7.14 3dm0A1 ALA 231 H -0.76 0.36 -0.52 -0.55 8.40 6.94 3dm0A1 ALA 231 HA 0.12 0.14 0.72 -0.75 4.34 4.56 3dm0A1 ALA 231 HB3 -0.08 0.02 0.00 -0.04 1.41 1.31 3dm0A1 TRP 232 H -0.24 0.38 -0.15 -0.55 7.97 7.42 3dm0A1 TRP 232 HA -0.17 0.05 0.28 -0.75 4.62 4.03 3dm0A1 TRP 232 HB2 0.03 0.08 0.07 -0.04 3.23 3.37 3dm0A1 TRP 232 HB3 0.12 0.00 0.05 -0.04 3.23 3.36 3dm0A1 TRP 232 HD1 -0.13 -0.04 -0.17 -0.04 7.22 6.84 3dm0A1 TRP 232 HE1 -0.10 0.05 -0.22 -0.04 10.20 9.88 3dm0A1 TRP 232 HE3 0.03 0.04 0.01 -0.04 7.59 7.62 3dm0A1 TRP 232 HZ2 -0.06 0.10 -0.10 -0.04 7.44 7.33 3dm0A1 TRP 232 HZ3 -0.00 -0.03 -0.07 -0.04 7.13 6.98 3dm0A1 TRP 232 HH2 -0.03 0.03 -0.35 -0.04 7.19 6.80 3dm0A1 SER 233 H 0.14 0.16 -0.42 -0.55 8.46 7.81 3dm0A1 SER 233 HA 0.14 0.11 0.50 -0.75 4.49 4.48 3dm0A1 SER 233 HB2 0.08 -0.04 0.18 -0.04 3.95 4.14 3dm0A1 SER 233 HB3 0.07 0.04 0.07 -0.04 3.93 4.07 3dm0A1 ASN 234 H 0.08 0.17 0.01 -0.55 8.53 8.25 3dm0A1 ASN 234 HA 0.05 0.05 0.38 -0.75 4.76 4.48 3dm0A1 ASN 234 HB2 0.08 0.07 0.13 -0.04 2.88 3.11 3dm0A1 ASN 234 HB3 0.06 0.02 -0.01 -0.04 2.79 2.83 3dm0A1 ASN 234 HD21 0.10 -0.01 0.03 -0.04 7.03 7.10 3dm0A1 ASN 234 HD22 0.14 -0.03 0.03 -0.04 7.74 7.84 3dm0A1 ILE 235 H 0.01 0.31 -0.40 -0.55 8.25 7.63 3dm0A1 ILE 235 HA -0.01 0.07 0.43 -0.75 4.18 3.91 3dm0A1 ILE 235 HB -0.55 0.08 -0.05 -0.04 1.89 1.34 3dm0A1 ILE 235 HG12 0.04 -0.03 -0.09 -0.04 1.49 1.38 3dm0A1 ILE 235 HG13 -0.03 0.28 0.00 -0.04 1.21 1.42 3dm0A1 ILE 235 HG23 -0.19 0.01 -0.08 -0.04 0.93 0.63 3dm0A1 ILE 235 HD13 -0.19 -0.03 -0.20 -0.04 0.88 0.42 3dm0A1 ASP 236 H 0.06 0.37 -0.25 -0.55 8.40 8.03 3dm0A1 ASP 236 HA 0.17 0.04 0.48 -0.75 4.63 4.58 3dm0A1 ASP 236 HB2 0.11 0.28 0.39 -0.04 2.71 3.45 3dm0A1 ASP 236 HB3 0.09 -0.07 0.03 -0.04 2.70 2.71 3dm0A1 THR 237 H 0.05 0.42 -0.05 -0.55 8.28 8.15 3dm0A1 THR 237 HA 0.04 0.05 0.45 -0.75 4.39 4.17 3dm0A1 THR 237 HB 0.03 -0.05 0.11 -0.04 4.32 4.37 3dm0A1 THR 237 HG23 0.04 0.02 0.02 -0.04 1.22 1.26 3dm0A1 SER 238 H 0.03 0.21 -0.65 -0.55 8.46 7.50 3dm0A1 SER 238 HA 0.01 0.08 0.65 -0.75 4.49 4.46 3dm0A1 SER 238 HB2 -0.01 0.02 0.19 -0.04 3.95 4.11 3dm0A1 SER 238 HB3 -0.02 0.18 0.23 -0.04 3.93 4.28 3dm0A1 ALA 239 H 0.03 0.35 -0.34 -0.55 8.40 7.89 3dm0A1 ALA 239 HA 0.03 0.05 0.32 -0.75 4.34 3.98 3dm0A1 ALA 239 HB3 0.00 0.04 -0.01 -0.04 1.41 1.40 3dm0A1 VAL 240 H 0.00 0.10 -0.46 -0.55 8.24 7.33 3dm0A1 VAL 240 HA -0.05 0.05 0.44 -0.75 4.13 3.82 3dm0A1 VAL 240 HB -0.04 -0.04 0.03 -0.04 2.12 2.02 3dm0A1 VAL 240 HG13 -0.25 -0.03 -0.20 -0.04 0.97 0.45 3dm0A1 VAL 240 HG23 -0.19 0.04 0.06 -0.04 0.95 0.82 3dm0A1 ASN 241 H -0.03 0.11 0.14 -0.55 8.53 8.20 3dm0A1 ASN 241 HA -0.02 0.18 0.80 -0.75 4.76 4.96 3dm0A1 ASN 241 HB2 -0.04 0.08 0.10 -0.04 2.88 2.99 3dm0A1 ASN 241 HB3 -0.05 -0.13 0.26 -0.04 2.79 2.83 3dm0A1 ASN 241 HD21 -0.07 0.01 -0.02 -0.04 7.03 6.91 3dm0A1 ASN 241 HD22 -0.05 -0.02 0.01 -0.04 7.74 7.64 3dm0A1 TYR 242 H 0.14 0.27 0.01 -0.55 8.29 8.15 3dm0A1 TYR 242 HA -0.21 0.26 1.13 -0.75 4.56 4.99 3dm0A1 TYR 242 HB2 0.03 0.02 0.08 -0.04 3.06 3.15 3dm0A1 TYR 242 HB3 0.13 -0.03 -0.15 -0.04 2.98 2.89 3dm0A1 TYR 242 HD2 -0.10 0.14 -0.18 -0.04 7.15 6.98 3dm0A1 TYR 242 HE2 -0.28 -0.01 -0.12 -0.04 6.85 6.40 3dm0A1 GLY 243 H -0.33 0.47 0.40 -0.55 8.43 8.42 3dm0A1 GLY 243 HA2 -0.37 0.10 0.75 -0.51 4.01 3.98 3dm0A1 GLY 243 HA3 -0.62 0.08 0.29 -0.51 4.01 3.25 3dm0A1 VAL 244 H -0.10 0.22 0.11 -0.55 8.24 7.92 3dm0A1 VAL 244 HA 0.07 0.31 0.94 -0.75 4.13 4.70 3dm0A1 VAL 244 HB -0.21 -0.08 0.16 -0.04 2.12 1.95 3dm0A1 VAL 244 HG13 0.11 0.00 -0.15 -0.04 0.97 0.90 3dm0A1 VAL 244 HG23 -0.33 -0.02 -0.20 -0.04 0.95 0.37 3dm0A1 THR 245 H 0.09 0.75 0.26 -0.55 8.28 8.84 3dm0A1 THR 245 HA 0.01 0.14 0.93 -0.75 4.39 4.72 3dm0A1 THR 245 HB 0.09 -0.05 -0.20 -0.04 4.32 4.11 3dm0A1 THR 245 HG23 -0.15 0.11 -0.16 -0.04 1.22 0.98 3dm0A1 VAL 246 H -0.04 0.09 0.14 -0.55 8.24 7.88 3dm0A1 VAL 246 HA -0.02 -0.00 0.41 -0.75 4.13 3.76 3dm0A1 VAL 246 HB -0.06 0.03 0.04 -0.04 2.12 2.09 3dm0A1 VAL 246 HG13 -0.03 0.07 -0.01 -0.04 0.97 0.96 3dm0A1 VAL 246 HG23 -0.03 -0.02 0.08 -0.04 0.95 0.94 3dm0A1 LEU 247 H -0.02 0.06 0.18 -0.55 8.37 8.05 3dm0A1 LEU 247 HA -0.12 0.04 0.40 -0.75 4.35 3.91 3dm0A1 LEU 247 HB2 0.02 0.02 0.07 -0.04 1.64 1.71 3dm0A1 LEU 247 HB3 0.03 0.05 0.04 -0.04 1.64 1.72 3dm0A1 LEU 247 HG -0.02 -0.02 -0.01 -0.04 1.64 1.55 3dm0A1 LEU 247 HD13 0.02 -0.00 -0.15 -0.04 0.93 0.76 3dm0A1 LEU 247 HD23 -0.06 -0.01 -0.23 -0.04 0.89 0.55 3dm0A1 PRO 248 HA -0.17 0.29 0.35 -0.51 4.44 4.41 3dm0A1 PRO 248 HB2 -1.24 -0.08 -0.25 -0.04 2.28 0.67 3dm0A1 PRO 248 HB3 -0.44 -0.08 -0.57 -0.04 2.02 0.90 3dm0A1 PRO 248 HG2 -1.09 -0.03 -0.13 -0.04 2.03 0.74 3dm0A1 PRO 248 HG3 -0.46 0.22 -0.14 -0.04 2.03 1.60 3dm0A1 PRO 248 HD2 -0.56 0.02 0.06 -0.04 3.68 3.16 3dm0A1 PRO 248 HD3 -0.35 0.09 0.11 -0.04 3.65 3.46 3dm0A1 THR 249 H -0.00 0.47 0.37 -0.55 8.28 8.58 3dm0A1 THR 249 HA 0.16 0.20 0.79 -0.75 4.39 4.78 3dm0A1 THR 249 HB 0.04 0.08 -0.46 -0.04 4.32 3.94 3dm0A1 THR 249 HG23 0.00 0.04 -0.16 -0.04 1.22 1.06 3dm0A1 PHE 250 H 0.17 1.05 0.20 -0.55 8.34 9.21 3dm0A1 PHE 250 HA -0.05 -0.06 0.84 -0.75 4.62 4.60 3dm0A1 PHE 250 HB2 -0.30 0.03 -0.12 -0.04 3.15 2.71 3dm0A1 PHE 250 HB3 -0.17 0.10 0.01 -0.04 3.06 2.97 3dm0A1 PHE 250 HD2 -0.38 -0.05 -0.02 -0.04 7.28 6.79 3dm0A1 PHE 250 HE2 -0.40 -0.03 -0.14 -0.04 7.38 6.76 3dm0A1 PHE 250 HZ -0.07 0.13 -0.10 -0.04 7.32 7.23 3dm0A1 LYS 251 H -0.45 0.10 0.11 -0.55 8.42 7.62 3dm0A1 LYS 251 HA -0.31 0.01 0.33 -0.75 4.32 3.60 3dm0A1 LYS 251 HB2 -0.57 0.15 -0.21 -0.04 1.87 1.20 3dm0A1 LYS 251 HB3 -0.32 0.04 0.21 -0.04 1.79 1.68 3dm0A1 LYS 251 HG2 -0.46 0.01 0.05 -0.04 1.46 1.02 3dm0A1 LYS 251 HG3 -1.40 -0.08 -0.01 -0.04 1.46 -0.08 3dm0A1 LYS 251 HD2 -0.60 0.00 -0.04 -0.04 1.69 1.01 3dm0A1 LYS 251 HD3 -0.66 0.04 -0.07 -0.04 1.68 0.94 3dm0A1 LYS 251 HE2 -0.21 0.04 0.02 -0.04 2.99 2.80 3dm0A1 LYS 251 HE3 -0.20 -0.01 0.01 -0.04 2.99 2.75 3dm0A1 GLY 252 H -0.09 -0.05 -0.43 -0.55 8.43 7.31 3dm0A1 GLY 252 HA2 -0.04 -0.04 0.20 -0.51 4.01 3.61 3dm0A1 GLY 252 HA3 -0.06 0.09 0.34 -0.51 4.01 3.87 3dm0A1 GLN 253 H -0.05 0.61 -0.51 -0.55 8.47 7.98 3dm0A1 GLN 253 HA -0.02 0.15 0.77 -0.75 4.36 4.51 3dm0A1 GLN 253 HB2 0.00 -0.04 -0.07 -0.04 2.15 2.00 3dm0A1 GLN 253 HB3 -0.02 0.09 0.14 -0.04 2.02 2.19 3dm0A1 GLN 253 HG2 -0.08 0.11 -0.01 -0.04 2.40 2.38 3dm0A1 GLN 253 HG3 -0.04 -0.03 0.06 -0.04 2.39 2.34 3dm0A1 GLN 253 HE21 -0.04 -0.09 -0.03 -0.04 6.97 6.77 3dm0A1 GLN 253 HE22 -0.07 0.23 0.04 -0.04 7.69 7.85 3dm0A1 PRO 254 HA 0.05 0.00 0.45 -0.51 4.44 4.44 3dm0A1 PRO 254 HB2 0.01 0.15 0.00 -0.04 2.28 2.40 3dm0A1 PRO 254 HB3 0.00 -0.04 0.07 -0.04 2.02 2.01 3dm0A1 PRO 254 HG2 -0.01 0.13 0.07 -0.04 2.03 2.17 3dm0A1 PRO 254 HG3 -0.01 0.01 0.09 -0.04 2.03 2.08 3dm0A1 PRO 254 HD2 -0.01 0.09 0.27 -0.04 3.68 3.99 3dm0A1 PRO 254 HD3 -0.01 0.11 0.20 -0.04 3.65 3.91 3dm0A1 SER 255 H 0.10 0.23 0.07 -0.55 8.46 8.31 3dm0A1 SER 255 HA 0.01 0.08 0.44 -0.75 4.49 4.27 3dm0A1 SER 255 HB2 0.11 -0.07 -0.01 -0.04 3.95 3.94 3dm0A1 SER 255 HB3 0.10 -0.17 -0.24 -0.04 3.93 3.58 3dm0A1 LYS 256 H -0.12 0.36 0.15 -0.55 8.42 8.25 3dm0A1 LYS 256 HA -0.02 0.29 0.65 -0.75 4.32 4.49 3dm0A1 LYS 256 HB2 -0.16 -0.16 0.04 -0.04 1.87 1.55 3dm0A1 LYS 256 HB3 -0.06 -0.04 0.03 -0.04 1.79 1.68 3dm0A1 LYS 256 HG2 -0.03 0.41 -0.11 -0.04 1.46 1.70 3dm0A1 LYS 256 HG3 -0.05 0.11 -0.24 -0.04 1.46 1.23 3dm0A1 LYS 256 HD2 -0.08 -0.01 -0.15 -0.04 1.69 1.42 3dm0A1 LYS 256 HD3 -0.04 -0.08 -0.02 -0.04 1.68 1.50 3dm0A1 LYS 256 HE2 -0.02 -0.13 0.01 -0.04 2.99 2.80 3dm0A1 LYS 256 HE3 -0.02 0.04 0.04 -0.04 2.99 3.01 3dm0A1 PRO 257 HA 0.14 -0.01 0.43 -0.51 4.44 4.49 3dm0A1 PRO 257 HB2 0.00 -0.03 -0.04 -0.04 2.28 2.17 3dm0A1 PRO 257 HB3 -0.01 -0.00 0.00 -0.04 2.02 1.97 3dm0A1 PRO 257 HG2 0.06 0.00 -0.12 -0.04 2.03 1.93 3dm0A1 PRO 257 HG3 0.02 0.09 -0.08 -0.04 2.03 2.02 3dm0A1 PRO 257 HD2 0.02 0.26 0.08 -0.04 3.68 4.00 3dm0A1 PRO 257 HD3 0.02 0.13 -0.19 -0.04 3.65 3.57 3dm0A1 PHE 258 H 0.40 0.08 0.15 -0.55 8.34 8.42 3dm0A1 PHE 258 HA 0.25 0.25 0.71 -0.75 4.62 5.06 3dm0A1 PHE 258 HB2 0.42 -0.06 0.15 -0.04 3.15 3.62 3dm0A1 PHE 258 HB3 0.39 -0.07 -0.04 -0.04 3.06 3.30 3dm0A1 PHE 258 HD2 -0.19 0.12 -0.01 -0.04 7.28 7.16 3dm0A1 PHE 258 HE2 -0.68 0.02 -0.08 -0.04 7.38 6.60 3dm0A1 PHE 258 HZ -0.33 -0.13 0.02 -0.04 7.32 6.84 3dm0A1 VAL 259 H 0.43 0.74 0.24 -0.55 8.24 9.10 3dm0A1 VAL 259 HA 0.27 0.17 0.80 -0.75 4.13 4.61 3dm0A1 VAL 259 HB 0.22 -0.14 -0.11 -0.04 2.12 2.05 3dm0A1 VAL 259 HG13 0.16 0.03 -0.15 -0.04 0.97 0.97 3dm0A1 VAL 259 HG23 0.14 0.05 -0.16 -0.04 0.95 0.95 3dm0A1 GLY 260 H 0.30 0.37 0.30 -0.55 8.43 8.85 3dm0A1 GLY 260 HA2 0.36 0.10 0.89 -0.51 4.01 4.85 3dm0A1 GLY 260 HA3 0.18 -0.06 0.35 -0.51 4.01 3.98 3dm0A1 VAL 261 H 0.60 0.02 0.21 -0.55 8.24 8.51 3dm0A1 VAL 261 HA 0.07 0.36 1.09 -0.75 4.13 4.90 3dm0A1 VAL 261 HB -0.14 -0.06 0.18 -0.04 2.12 2.06 3dm0A1 VAL 261 HG13 -0.12 0.04 -0.16 -0.04 0.97 0.68 3dm0A1 VAL 261 HG23 -0.06 0.02 -0.15 -0.04 0.95 0.73 3dm0A1 LEU 262 H 0.04 0.49 0.22 -0.55 8.37 8.58 3dm0A1 LEU 262 HA 0.01 -0.00 0.35 -0.75 4.35 3.95 3dm0A1 LEU 262 HB2 0.00 0.02 0.07 -0.04 1.64 1.69 3dm0A1 LEU 262 HB3 0.05 -0.11 0.17 -0.04 1.64 1.71 3dm0A1 LEU 262 HG 0.21 0.07 -0.28 -0.04 1.64 1.59 3dm0A1 LEU 262 HD13 0.06 0.00 -0.09 -0.04 0.93 0.86 3dm0A1 LEU 262 HD23 0.09 0.00 -0.10 -0.04 0.89 0.84 3dm0A1 SER 263 H 0.06 0.61 0.42 -0.55 8.46 9.00 3dm0A1 SER 263 HA -0.14 0.20 0.99 -0.75 4.49 4.79 3dm0A1 SER 263 HB2 -0.70 -0.01 -0.09 -0.04 3.95 3.10 3dm0A1 SER 263 HB3 -0.42 0.03 -0.20 -0.04 3.93 3.30 3dm0A1 ALA 264 H -0.22 0.66 0.27 -0.55 8.40 8.57 3dm0A1 ALA 264 HA -0.51 0.37 1.12 -0.75 4.34 4.57 3dm0A1 ALA 264 HB3 -0.70 -0.02 -0.01 -0.04 1.41 0.64 3dm0A1 GLY 265 H 0.07 0.57 0.34 -0.55 8.43 8.87 3dm0A1 GLY 265 HA2 0.09 0.16 1.02 -0.51 4.01 4.77 3dm0A1 GLY 265 HA3 0.27 0.10 0.36 -0.51 4.01 4.23 3dm0A1 ILE 266 H 0.11 0.28 0.19 -0.55 8.25 8.29 3dm0A1 ILE 266 HA 0.04 0.30 1.08 -0.75 4.18 4.85 3dm0A1 ILE 266 HB 0.09 0.03 0.07 -0.04 1.89 2.04 3dm0A1 ILE 266 HG12 0.07 0.00 -0.17 -0.04 1.49 1.36 3dm0A1 ILE 266 HG13 0.16 -0.06 -0.18 -0.04 1.21 1.09 3dm0A1 ILE 266 HG23 0.04 0.05 -0.04 -0.04 0.93 0.93 3dm0A1 ILE 266 HD13 0.14 -0.00 -0.12 -0.04 0.88 0.85 3dm0A1 ASN 267 H 0.04 0.73 0.30 -0.55 8.53 9.05 3dm0A1 ASN 267 HA 0.17 0.19 0.54 -0.75 4.76 4.91 3dm0A1 ASN 267 HB2 0.04 0.20 0.16 -0.04 2.88 3.24 3dm0A1 ASN 267 HB3 -0.02 -0.21 0.22 -0.04 2.79 2.74 3dm0A1 ASN 267 HD21 -0.27 0.27 -0.02 -0.04 7.03 6.97 3dm0A1 ASN 267 HD22 -0.13 0.33 -0.09 -0.04 7.74 7.81 3dm0A1 ALA 268 H 0.05 0.68 0.12 -0.55 8.40 8.71 3dm0A1 ALA 268 HA 0.03 -0.04 0.24 -0.75 4.34 3.82 3dm0A1 ALA 268 HB3 0.02 -0.02 -0.21 -0.04 1.41 1.16 3dm0A1 ALA 269 H -0.04 0.07 -0.27 -0.55 8.40 7.62 3dm0A1 ALA 269 HA -0.03 0.09 0.56 -0.75 4.34 4.22 3dm0A1 ALA 269 HB3 -0.07 0.04 0.05 -0.04 1.41 1.39 3dm0A1 SER 270 H -0.02 0.18 -0.34 -0.55 8.46 7.73 3dm0A1 SER 270 HA -0.04 0.17 0.33 -0.75 4.49 4.20 3dm0A1 SER 270 HB2 -0.03 0.05 0.20 -0.04 3.95 4.14 3dm0A1 SER 270 HB3 -0.00 0.18 0.13 -0.04 3.93 4.19 3dm0A1 PRO 271 HA -0.00 0.19 0.70 -0.51 4.44 4.82 3dm0A1 PRO 271 HB2 -0.01 -0.06 0.17 -0.04 2.28 2.34 3dm0A1 PRO 271 HB3 -0.01 0.13 0.07 -0.04 2.02 2.17 3dm0A1 PRO 271 HG2 -0.01 -0.05 -0.29 -0.04 2.03 1.64 3dm0A1 PRO 271 HG3 -0.02 -0.12 -0.25 -0.04 2.03 1.60 3dm0A1 PRO 271 HD2 -0.03 0.14 0.06 -0.04 3.68 3.81 3dm0A1 PRO 271 HD3 -0.03 0.32 0.09 -0.04 3.65 4.00 3dm0A1 ASN 272 H -0.00 0.18 -0.33 -0.55 8.53 7.83 3dm0A1 ASN 272 HA 0.01 0.18 0.84 -0.75 4.76 5.04 3dm0A1 ASN 272 HB2 -0.01 0.07 0.08 -0.04 2.88 2.97 3dm0A1 ASN 272 HB3 0.01 -0.11 0.16 -0.04 2.79 2.81 3dm0A1 ASN 272 HD21 -0.01 0.26 0.24 -0.04 7.03 7.48 3dm0A1 ASN 272 HD22 -0.02 -0.00 0.03 -0.04 7.74 7.71 3dm0A1 LYS 273 H 0.01 0.34 -0.22 -0.55 8.42 8.00 3dm0A1 LYS 273 HA 0.03 0.07 0.28 -0.75 4.32 3.95 3dm0A1 LYS 273 HB2 0.02 -0.02 -0.00 -0.04 1.87 1.83 3dm0A1 LYS 273 HB3 0.04 0.02 -0.00 -0.04 1.79 1.81 3dm0A1 LYS 273 HG2 0.02 0.02 -0.01 -0.04 1.46 1.46 3dm0A1 LYS 273 HG3 0.01 0.19 0.00 -0.04 1.46 1.63 3dm0A1 LYS 273 HD2 0.02 -0.06 0.00 -0.04 1.69 1.61 3dm0A1 LYS 273 HD3 0.03 -0.08 -0.02 -0.04 1.68 1.57 3dm0A1 LYS 273 HE2 0.02 -0.09 0.06 -0.04 2.99 2.94 3dm0A1 LYS 273 HE3 0.02 0.07 0.00 -0.04 2.99 3.04 3dm0A1 GLU 274 H 0.03 0.10 -0.47 -0.55 8.60 7.71 3dm0A1 GLU 274 HA 0.04 0.13 0.54 -0.75 4.29 4.25 3dm0A1 GLU 274 HB2 0.03 0.01 0.04 -0.04 2.09 2.13 3dm0A1 GLU 274 HB3 0.05 0.04 -0.09 -0.04 1.99 1.94 3dm0A1 GLU 274 HG2 0.03 0.01 -0.06 -0.04 2.34 2.28 3dm0A1 GLU 274 HG3 0.03 0.05 -0.02 -0.04 2.34 2.35 3dm0A1 LEU 275 H 0.05 0.13 -0.08 -0.55 8.37 7.93 3dm0A1 LEU 275 HA 0.18 0.05 0.36 -0.75 4.35 4.19 3dm0A1 LEU 275 HB2 0.05 0.10 0.10 -0.04 1.64 1.85 3dm0A1 LEU 275 HB3 0.17 0.01 -0.07 -0.04 1.64 1.71 3dm0A1 LEU 275 HG 0.07 -0.08 0.03 -0.04 1.64 1.62 3dm0A1 LEU 275 HD13 0.05 0.02 -0.05 -0.04 0.93 0.90 3dm0A1 LEU 275 HD23 0.13 0.01 -0.04 -0.04 0.89 0.95 3dm0A1 ALA 276 H 0.02 0.59 -0.35 -0.55 8.40 8.12 3dm0A1 ALA 276 HA -0.06 0.01 0.34 -0.75 4.34 3.89 3dm0A1 ALA 276 HB3 0.01 0.05 -0.05 -0.04 1.41 1.38 3dm0A1 LYS 277 H 0.03 0.42 -0.22 -0.55 8.42 8.09 3dm0A1 LYS 277 HA -0.08 0.00 0.36 -0.75 4.32 3.85 3dm0A1 LYS 277 HB2 0.04 0.10 0.12 -0.04 1.87 2.09 3dm0A1 LYS 277 HB3 0.05 -0.07 0.01 -0.04 1.79 1.74 3dm0A1 LYS 277 HG2 0.18 -0.08 0.00 -0.04 1.46 1.52 3dm0A1 LYS 277 HG3 0.07 0.55 0.23 -0.04 1.46 2.27 3dm0A1 LYS 277 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.65 3dm0A1 LYS 277 HD3 0.09 -0.09 -0.02 -0.04 1.68 1.62 3dm0A1 LYS 277 HE2 0.09 -0.01 -0.03 -0.04 2.99 2.99 3dm0A1 LYS 277 HE3 0.06 0.05 -0.07 -0.04 2.99 3.00 3dm0A1 GLU 278 H 0.05 0.54 -0.21 -0.55 8.60 8.43 3dm0A1 GLU 278 HA 0.06 0.01 0.38 -0.75 4.29 3.98 3dm0A1 GLU 278 HB2 0.13 0.08 0.07 -0.04 2.09 2.33 3dm0A1 GLU 278 HB3 0.28 0.11 0.07 -0.04 1.99 2.41 3dm0A1 GLU 278 HG2 0.42 0.01 -0.11 -0.04 2.34 2.62 3dm0A1 GLU 278 HG3 0.20 -0.05 0.02 -0.04 2.34 2.47 3dm0A1 PHE 279 H -0.06 0.47 -0.32 -0.55 8.34 7.87 3dm0A1 PHE 279 HA -0.48 0.04 0.37 -0.75 4.62 3.79 3dm0A1 PHE 279 HB2 -1.43 0.07 0.06 -0.04 3.15 1.81 3dm0A1 PHE 279 HB3 -0.44 0.13 0.17 -0.04 3.06 2.89 3dm0A1 PHE 279 HD2 -0.56 0.03 -0.08 -0.04 7.28 6.63 3dm0A1 PHE 279 HE2 0.01 0.03 -0.31 -0.04 7.38 7.07 3dm0A1 PHE 279 HZ -0.01 0.02 -0.18 -0.04 7.32 7.11 3dm0A1 LEU 280 H -0.08 0.66 0.01 -0.55 8.37 8.42 3dm0A1 LEU 280 HA -0.39 -0.07 0.37 -0.75 4.35 3.51 3dm0A1 LEU 280 HB2 -0.65 0.06 0.07 -0.04 1.64 1.08 3dm0A1 LEU 280 HB3 -0.56 -0.03 -0.01 -0.04 1.64 1.00 3dm0A1 LEU 280 HG 0.06 0.19 0.06 -0.04 1.64 1.91 3dm0A1 LEU 280 HD13 -0.08 -0.00 -0.15 -0.04 0.93 0.66 3dm0A1 LEU 280 HD23 0.11 -0.03 -0.08 -0.04 0.89 0.85 3dm0A1 GLU 281 H -0.32 0.59 -0.24 -0.55 8.60 8.08 3dm0A1 GLU 281 HA -0.27 0.07 0.53 -0.75 4.29 3.86 3dm0A1 GLU 281 HB2 -0.32 0.23 0.13 -0.04 2.09 2.08 3dm0A1 GLU 281 HB3 -0.77 -0.07 -0.03 -0.04 1.99 1.08 3dm0A1 GLU 281 HG2 -1.08 -0.03 -0.02 -0.04 2.34 1.17 3dm0A1 GLU 281 HG3 -0.53 0.03 0.04 -0.04 2.34 1.84 3dm0A1 ASN 282 H -0.01 0.53 -0.08 -0.55 8.53 8.43 3dm0A1 ASN 282 HA -0.01 0.19 0.86 -0.75 4.76 5.05 3dm0A1 ASN 282 HB2 0.28 0.15 0.06 -0.04 2.88 3.33 3dm0A1 ASN 282 HB3 -0.04 -0.06 0.08 -0.04 2.79 2.73 3dm0A1 ASN 282 HD21 0.05 -0.07 -0.01 -0.04 7.03 6.96 3dm0A1 ASN 282 HD22 0.18 0.05 0.05 -0.04 7.74 7.98 3dm0A1 TYR 283 H 0.04 0.43 -0.07 -0.55 8.29 8.14 3dm0A1 TYR 283 HA -0.06 0.16 0.96 -0.75 4.56 4.88 3dm0A1 TYR 283 HB2 -0.41 0.11 0.16 -0.04 3.06 2.88 3dm0A1 TYR 283 HB3 -0.11 -0.04 -0.02 -0.04 2.98 2.77 3dm0A1 TYR 283 HD2 0.13 0.03 -0.13 -0.04 7.15 7.13 3dm0A1 TYR 283 HE2 0.17 0.05 -0.16 -0.04 6.85 6.86 3dm0A1 LEU 284 H -0.42 0.49 0.10 -0.55 8.37 7.99 3dm0A1 LEU 284 HA -0.15 0.01 0.44 -0.75 4.35 3.89 3dm0A1 LEU 284 HB2 -0.55 -0.02 0.00 -0.04 1.64 1.04 3dm0A1 LEU 284 HB3 -0.25 0.14 0.19 -0.04 1.64 1.68 3dm0A1 LEU 284 HG -0.00 0.00 -0.30 -0.04 1.64 1.30 3dm0A1 LEU 284 HD13 -0.00 -0.03 -0.12 -0.04 0.93 0.74 3dm0A1 LEU 284 HD23 0.23 -0.01 -0.11 -0.04 0.89 0.96 3dm0A1 LEU 285 H -0.07 0.67 0.03 -0.55 8.37 8.45 3dm0A1 LEU 285 HA 0.01 0.00 0.45 -0.75 4.35 4.06 3dm0A1 LEU 285 HB2 0.26 0.19 0.23 -0.04 1.64 2.28 3dm0A1 LEU 285 HB3 0.14 -0.06 0.20 -0.04 1.64 1.88 3dm0A1 LEU 285 HG 0.02 -0.09 -0.02 -0.04 1.64 1.51 3dm0A1 LEU 285 HD13 0.22 0.01 -0.09 -0.04 0.93 1.04 3dm0A1 LEU 285 HD23 -0.02 0.01 0.03 -0.04 0.89 0.87 3dm0A1 THR 286 H -0.05 0.68 -0.27 -0.55 8.28 8.10 3dm0A1 THR 286 HA -0.02 0.22 0.79 -0.75 4.39 4.62 3dm0A1 THR 286 HB -0.07 -0.06 0.10 -0.04 4.32 4.25 3dm0A1 THR 286 HG23 -0.06 0.09 -0.52 -0.04 1.22 0.68 3dm0A1 ASP 287 H -0.08 0.24 0.14 -0.55 8.40 8.15 3dm0A1 ASP 287 HA -0.34 0.04 0.40 -0.75 4.63 3.97 3dm0A1 ASP 287 HB2 -0.08 0.02 0.11 -0.04 2.71 2.72 3dm0A1 ASP 287 HB3 -0.14 0.06 0.04 -0.04 2.70 2.62 3dm0A1 GLU 288 H -0.13 0.05 -0.32 -0.55 8.60 7.65 3dm0A1 GLU 288 HA -0.13 0.12 0.51 -0.75 4.29 4.03 3dm0A1 GLU 288 HB2 -0.08 0.06 0.06 -0.04 2.09 2.09 3dm0A1 GLU 288 HB3 -0.05 0.05 -0.01 -0.04 1.99 1.94 3dm0A1 GLU 288 HG2 -0.06 0.07 0.00 -0.04 2.34 2.32 3dm0A1 GLU 288 HG3 -0.06 0.02 -0.04 -0.04 2.34 2.22 3dm0A1 GLY 289 H -0.10 0.08 -0.05 -0.55 8.43 7.81 3dm0A1 GLY 289 HA2 -0.03 -0.02 0.39 -0.51 4.01 3.84 3dm0A1 GLY 289 HA3 -0.07 0.35 0.57 -0.51 4.01 4.35 3dm0A1 LEU 290 H -0.13 0.56 0.04 -0.55 8.37 8.30 3dm0A1 LEU 290 HA 0.02 0.00 0.45 -0.75 4.35 4.07 3dm0A1 LEU 290 HB2 -0.24 0.03 0.09 -0.04 1.64 1.48 3dm0A1 LEU 290 HB3 0.23 -0.08 0.02 -0.04 1.64 1.77 3dm0A1 LEU 290 HG -0.03 0.27 0.18 -0.04 1.64 2.03 3dm0A1 LEU 290 HD13 0.14 -0.04 -0.04 -0.04 0.93 0.96 3dm0A1 LEU 290 HD23 0.05 -0.02 -0.07 -0.04 0.89 0.81 3dm0A1 GLU 291 H -0.42 0.38 -0.23 -0.55 8.60 7.78 3dm0A1 GLU 291 HA 0.11 -0.05 0.35 -0.75 4.29 3.94 3dm0A1 GLU 291 HB2 -0.40 0.04 0.19 -0.04 2.09 1.88 3dm0A1 GLU 291 HB3 -0.18 0.12 0.20 -0.04 1.99 2.09 3dm0A1 GLU 291 HG2 0.01 0.00 -0.20 -0.04 2.34 2.11 3dm0A1 GLU 291 HG3 0.09 -0.05 0.06 -0.04 2.34 2.39 3dm0A1 ALA 292 H -0.05 0.47 -0.50 -0.55 8.40 7.78 3dm0A1 ALA 292 HA 0.01 0.03 0.45 -0.75 4.34 4.08 3dm0A1 ALA 292 HB3 0.01 0.05 0.09 -0.04 1.41 1.52 3dm0A1 VAL 293 H 0.02 0.45 -0.13 -0.55 8.24 8.03 3dm0A1 VAL 293 HA 0.01 -0.06 0.60 -0.75 4.13 3.93 3dm0A1 VAL 293 HB 0.04 0.09 0.19 -0.04 2.12 2.39 3dm0A1 VAL 293 HG13 0.00 0.01 -0.12 -0.04 0.97 0.82 3dm0A1 VAL 293 HG23 0.01 0.02 -0.11 -0.04 0.95 0.83 3dm0A1 ASN 294 H 0.09 0.88 0.12 -0.55 8.53 9.07 3dm0A1 ASN 294 HA 0.08 0.04 0.17 -0.75 4.76 4.30 3dm0A1 ASN 294 HB2 0.23 0.06 0.00 -0.04 2.88 3.12 3dm0A1 ASN 294 HB3 0.19 0.10 -0.02 -0.04 2.79 3.02 3dm0A1 ASN 294 HD21 0.12 -0.03 -0.01 -0.04 7.03 7.08 3dm0A1 ASN 294 HD22 0.16 0.09 -0.11 -0.04 7.74 7.84 3dm0A1 LYS 295 H 0.07 0.42 -0.44 -0.55 8.42 7.91 3dm0A1 LYS 295 HA 0.08 0.03 0.34 -0.75 4.32 4.01 3dm0A1 LYS 295 HB2 0.04 0.08 0.06 -0.04 1.87 2.01 3dm0A1 LYS 295 HB3 0.04 -0.04 -0.02 -0.04 1.79 1.73 3dm0A1 LYS 295 HG2 0.06 -0.04 0.02 -0.04 1.46 1.46 3dm0A1 LYS 295 HG3 0.07 0.09 0.06 -0.04 1.46 1.64 3dm0A1 LYS 295 HD2 0.03 0.02 -0.02 -0.04 1.69 1.68 3dm0A1 LYS 295 HD3 0.04 -0.03 -0.01 -0.04 1.68 1.64 3dm0A1 LYS 295 HE2 0.05 -0.01 -0.01 -0.04 2.99 2.97 3dm0A1 LYS 295 HE3 0.05 -0.01 -0.02 -0.04 2.99 2.97 3dm0A1 ASP 296 H 0.02 0.28 -0.37 -0.55 8.40 7.78 3dm0A1 ASP 296 HA -0.01 0.03 0.48 -0.75 4.63 4.36 3dm0A1 ASP 296 HB2 -0.03 0.02 0.27 -0.04 2.71 2.93 3dm0A1 ASP 296 HB3 -0.04 0.08 0.32 -0.04 2.70 3.01 3dm0A1 LYS 297 H 0.01 0.50 0.01 -0.55 8.42 8.39 3dm0A1 LYS 297 HA 0.05 0.14 0.62 -0.75 4.32 4.37 3dm0A1 LYS 297 HB2 0.00 -0.32 0.06 -0.04 1.87 1.57 3dm0A1 LYS 297 HB3 0.08 0.09 0.09 -0.04 1.79 2.01 3dm0A1 LYS 297 HG2 -0.06 -0.11 -0.62 -0.04 1.46 0.64 3dm0A1 LYS 297 HG3 -0.04 -0.02 -0.35 -0.04 1.46 1.02 3dm0A1 LYS 297 HD2 0.08 0.22 0.14 -0.04 1.69 2.09 3dm0A1 LYS 297 HD3 0.04 0.09 0.23 -0.04 1.68 2.01 3dm0A1 LYS 297 HE2 -0.02 -0.03 -0.05 -0.04 2.99 2.84 3dm0A1 LYS 297 HE3 0.04 -0.11 0.05 -0.04 2.99 2.93 3dm0A1 PRO 298 HA 0.07 -0.01 0.45 -0.51 4.44 4.43 3dm0A1 PRO 298 HB2 -0.34 0.05 -0.09 -0.04 2.28 1.87 3dm0A1 PRO 298 HB3 0.12 -0.05 0.06 -0.04 2.02 2.11 3dm0A1 PRO 298 HG2 0.42 -0.01 0.04 -0.04 2.03 2.43 3dm0A1 PRO 298 HG3 0.22 0.13 0.04 -0.04 2.03 2.37 3dm0A1 PRO 298 HD2 0.04 0.04 0.17 -0.04 3.68 3.88 3dm0A1 PRO 298 HD3 0.11 0.22 0.09 -0.04 3.65 4.02 3dm0A1 LEU 299 H 0.04 0.11 0.16 -0.55 8.37 8.14 3dm0A1 LEU 299 HA 0.05 0.12 0.59 -0.75 4.35 4.36 3dm0A1 LEU 299 HB2 0.07 0.03 0.00 -0.04 1.64 1.70 3dm0A1 LEU 299 HB3 0.06 -0.06 -0.16 -0.04 1.64 1.44 3dm0A1 LEU 299 HG 0.06 0.12 -0.13 -0.04 1.64 1.64 3dm0A1 LEU 299 HD13 0.10 0.00 -0.04 -0.04 0.93 0.95 3dm0A1 LEU 299 HD23 0.05 -0.02 -0.11 -0.04 0.89 0.78 3dm0A1 GLY 300 H -0.03 0.07 -0.01 -0.55 8.43 7.91 3dm0A1 GLY 300 HA2 -0.09 0.02 0.25 -0.51 4.01 3.68 3dm0A1 GLY 300 HA3 -0.03 0.29 0.80 -0.51 4.01 4.57 3dm0A1 ALA 301 H 0.05 0.49 0.19 -0.55 8.40 8.59 3dm0A1 ALA 301 HA 0.04 0.08 0.66 -0.75 4.34 4.36 3dm0A1 ALA 301 HB3 0.06 0.03 0.09 -0.04 1.41 1.55 3dm0A1 VAL 302 H 0.03 0.15 0.12 -0.55 8.24 7.99 3dm0A1 VAL 302 HA 0.04 0.05 0.61 -0.75 4.13 4.08 3dm0A1 VAL 302 HB 0.09 -0.03 0.10 -0.04 2.12 2.24 3dm0A1 VAL 302 HG13 0.11 0.02 -0.07 -0.04 0.97 0.99 3dm0A1 VAL 302 HG23 0.08 0.03 -0.09 -0.04 0.95 0.93 3dm0A1 ALA 303 H -0.02 0.74 0.16 -0.55 8.40 8.74 3dm0A1 ALA 303 HA 0.02 0.03 0.38 -0.75 4.34 4.01 3dm0A1 ALA 303 HB3 -0.26 -0.00 -0.14 -0.04 1.41 0.97 3dm0A1 LEU 304 H -0.03 0.07 -0.12 -0.55 8.37 7.75 3dm0A1 LEU 304 HA -0.19 0.25 0.42 -0.75 4.35 4.07 3dm0A1 LEU 304 HB2 -0.03 0.07 0.02 -0.04 1.64 1.66 3dm0A1 LEU 304 HB3 0.06 -0.13 0.03 -0.04 1.64 1.57 3dm0A1 LEU 304 HG -0.03 -0.18 -0.15 -0.04 1.64 1.24 3dm0A1 LEU 304 HD13 -0.12 0.08 -0.05 -0.04 0.93 0.80 3dm0A1 LEU 304 HD23 0.01 -0.02 -0.34 -0.04 0.89 0.49 3dm0A1 LYS 305 H -0.33 0.73 0.42 -0.55 8.42 8.68 3dm0A1 LYS 305 HA -0.22 0.06 0.33 -0.75 4.32 3.73 3dm0A1 LYS 305 HB2 -0.18 -0.07 0.19 -0.04 1.87 1.77 3dm0A1 LYS 305 HB3 -0.19 -0.03 0.03 -0.04 1.79 1.56 3dm0A1 LYS 305 HG2 -1.34 -0.08 0.03 -0.04 1.46 0.02 3dm0A1 LYS 305 HG3 -0.54 0.37 0.14 -0.04 1.46 1.40 3dm0A1 LYS 305 HD2 -0.17 0.03 0.05 -0.04 1.69 1.57 3dm0A1 LYS 305 HD3 -0.17 -0.11 0.00 -0.04 1.68 1.36 3dm0A1 LYS 305 HE2 -0.27 -0.19 -0.14 -0.04 2.99 2.34 3dm0A1 LYS 305 HE3 -0.20 0.25 -0.43 -0.04 2.99 2.57 3dm0A1 SER 306 H -0.06 0.21 0.01 -0.55 8.46 8.07 3dm0A1 SER 306 HA 0.02 0.09 0.38 -0.75 4.49 4.22 3dm0A1 SER 306 HB2 0.03 0.03 0.03 -0.04 3.95 4.00 3dm0A1 SER 306 HB3 -0.00 0.07 0.13 -0.04 3.93 4.08 3dm0A1 TYR 307 H 0.14 0.14 -0.30 -0.55 8.29 7.71 3dm0A1 TYR 307 HA 0.01 0.10 0.55 -0.75 4.56 4.47 3dm0A1 TYR 307 HB2 -0.00 -0.08 0.04 -0.04 3.06 2.98 3dm0A1 TYR 307 HB3 0.00 0.09 -0.00 -0.04 2.98 3.03 3dm0A1 TYR 307 HD2 0.02 0.01 0.05 -0.04 7.15 7.19 3dm0A1 TYR 307 HE2 0.03 0.01 -0.06 -0.04 6.85 6.78 3dm0A1 GLU 308 H 0.07 0.48 -0.19 -0.55 8.60 8.41 3dm0A1 GLU 308 HA -0.08 -0.08 0.51 -0.75 4.29 3.89 3dm0A1 GLU 308 HB2 0.17 0.14 -0.03 -0.04 2.09 2.32 3dm0A1 GLU 308 HB3 0.20 0.11 0.08 -0.04 1.99 2.34 3dm0A1 GLU 308 HG2 0.21 0.07 -0.06 -0.04 2.34 2.52 3dm0A1 GLU 308 HG3 0.12 -0.00 -0.15 -0.04 2.34 2.27 3dm0A1 GLU 309 H 0.05 0.50 -0.22 -0.55 8.60 8.38 3dm0A1 GLU 309 HA 0.04 0.03 0.31 -0.75 4.29 3.92 3dm0A1 GLU 309 HB2 0.04 0.04 0.10 -0.04 2.09 2.24 3dm0A1 GLU 309 HB3 0.04 0.07 0.04 -0.04 1.99 2.10 3dm0A1 GLU 309 HG2 0.03 0.00 0.01 -0.04 2.34 2.34 3dm0A1 GLU 309 HG3 0.04 -0.02 0.04 -0.04 2.34 2.36 3dm0A1 GLU 310 H -0.01 0.21 -0.43 -0.55 8.60 7.82 3dm0A1 GLU 310 HA 0.00 0.11 0.61 -0.75 4.29 4.26 3dm0A1 GLU 310 HB2 -0.07 0.06 0.19 -0.04 2.09 2.23 3dm0A1 GLU 310 HB3 0.02 -0.02 0.03 -0.04 1.99 1.98 3dm0A1 GLU 310 HG2 0.11 0.05 0.08 -0.04 2.34 2.54 3dm0A1 GLU 310 HG3 0.12 -0.02 0.04 -0.04 2.34 2.44 3dm0A1 LEU 311 H -0.24 0.39 0.11 -0.55 8.37 8.08 3dm0A1 LEU 311 HA -0.08 -0.00 0.40 -0.75 4.35 3.91 3dm0A1 LEU 311 HB2 -0.15 0.03 0.21 -0.04 1.64 1.68 3dm0A1 LEU 311 HB3 -0.07 -0.04 0.10 -0.04 1.64 1.59 3dm0A1 LEU 311 HG -0.88 0.22 0.18 -0.04 1.64 1.12 3dm0A1 LEU 311 HD13 -0.33 -0.02 0.05 -0.04 0.93 0.58 3dm0A1 LEU 311 HD23 -0.20 -0.02 0.04 -0.04 0.89 0.68 3dm0A1 ALA 312 H -0.02 0.76 -0.20 -0.55 8.40 8.39 3dm0A1 ALA 312 HA 0.01 -0.05 0.28 -0.75 4.34 3.82 3dm0A1 ALA 312 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 3dm0A1 LYS 313 H -0.02 0.50 -0.61 -0.55 8.42 7.74 3dm0A1 LYS 313 HA -0.01 0.04 0.49 -0.75 4.32 4.08 3dm0A1 LYS 313 HB2 -0.01 0.17 0.15 -0.04 1.87 2.14 3dm0A1 LYS 313 HB3 -0.01 -0.10 0.06 -0.04 1.79 1.70 3dm0A1 LYS 313 HG2 -0.00 -0.07 0.05 -0.04 1.46 1.39 3dm0A1 LYS 313 HG3 -0.00 0.13 0.08 -0.04 1.46 1.63 3dm0A1 LYS 313 HD2 0.00 -0.00 0.13 -0.04 1.69 1.78 3dm0A1 LYS 313 HD3 0.00 -0.07 0.05 -0.04 1.68 1.61 3dm0A1 LYS 313 HE2 0.01 -0.05 0.03 -0.04 2.99 2.93 3dm0A1 LYS 313 HE3 0.01 0.16 0.06 -0.04 2.99 3.17 3dm0A1 ASP 314 H -0.01 0.48 -0.05 -0.55 8.40 8.27 3dm0A1 ASP 314 HA -0.05 0.11 0.52 -0.75 4.63 4.46 3dm0A1 ASP 314 HB2 -0.01 0.04 0.17 -0.04 2.71 2.87 3dm0A1 ASP 314 HB3 0.01 0.05 0.23 -0.04 2.70 2.95 3dm0A1 PRO 315 HA -0.06 0.11 0.46 -0.51 4.44 4.45 3dm0A1 PRO 315 HB2 -0.14 0.01 0.08 -0.04 2.28 2.19 3dm0A1 PRO 315 HB3 -0.08 0.06 0.14 -0.04 2.02 2.10 3dm0A1 PRO 315 HG2 -0.09 0.05 0.14 -0.04 2.03 2.08 3dm0A1 PRO 315 HG3 -0.06 0.13 0.16 -0.04 2.03 2.21 3dm0A1 PRO 315 HD2 -0.12 0.03 0.27 -0.04 3.68 3.82 3dm0A1 PRO 315 HD3 -0.07 0.27 0.38 -0.04 3.65 4.19 3dm0A1 ARG 316 H -0.23 0.15 -0.17 -0.55 8.46 7.66 3dm0A1 ARG 316 HA -0.27 0.16 0.48 -0.75 4.34 3.96 3dm0A1 ARG 316 HB2 -0.83 -0.02 0.01 -0.04 1.90 1.02 3dm0A1 ARG 316 HB3 -1.72 0.01 0.01 -0.04 1.80 0.06 3dm0A1 ARG 316 HG2 -0.60 0.03 0.02 -0.04 1.67 1.07 3dm0A1 ARG 316 HG3 -0.43 -0.03 0.07 -0.04 1.67 1.23 3dm0A1 ARG 316 HD2 -1.14 -0.00 -0.03 -0.04 3.22 2.01 3dm0A1 ARG 316 HD3 -0.55 0.08 -0.01 -0.04 3.22 2.71 3dm0A1 ILE 317 H -0.02 0.24 -0.33 -0.55 8.25 7.59 3dm0A1 ILE 317 HA 0.29 -0.01 0.42 -0.75 4.18 4.12 3dm0A1 ILE 317 HB 0.05 0.40 0.11 -0.04 1.89 2.41 3dm0A1 ILE 317 HG12 0.24 -0.10 -0.00 -0.04 1.49 1.58 3dm0A1 ILE 317 HG13 0.10 0.09 -0.02 -0.04 1.21 1.33 3dm0A1 ILE 317 HG23 0.06 -0.03 -0.29 -0.04 0.93 0.62 3dm0A1 ILE 317 HD13 0.24 -0.03 -0.18 -0.04 0.88 0.87 3dm0A1 ALA 318 H 0.00 0.42 -0.12 -0.55 8.40 8.16 3dm0A1 ALA 318 HA 0.01 0.02 0.39 -0.75 4.34 4.00 3dm0A1 ALA 318 HB3 -0.02 0.07 0.09 -0.04 1.41 1.51 3dm0A1 ALA 319 H -0.00 0.55 -0.26 -0.55 8.40 8.14 3dm0A1 ALA 319 HA 0.00 0.00 0.39 -0.75 4.34 3.98 3dm0A1 ALA 319 HB3 -0.00 0.01 0.00 -0.04 1.41 1.38 3dm0A1 THR 320 H 0.12 0.41 -0.32 -0.55 8.28 7.93 3dm0A1 THR 320 HA 0.10 0.08 0.33 -0.75 4.39 4.15 3dm0A1 THR 320 HB 0.15 0.17 0.21 -0.04 4.32 4.81 3dm0A1 THR 320 HG23 0.06 -0.01 -0.04 -0.04 1.22 1.20 3dm0A1 MET 321 H 0.05 0.57 -0.20 -0.55 8.47 8.35 3dm0A1 MET 321 HA 0.02 -0.02 0.36 -0.75 4.52 4.12 3dm0A1 MET 321 HB2 0.00 0.15 0.10 -0.04 2.15 2.37 3dm0A1 MET 321 HB3 -0.02 -0.04 0.02 -0.04 2.03 1.95 3dm0A1 MET 321 HG2 0.04 0.09 0.02 -0.04 2.63 2.74 3dm0A1 MET 321 HG3 -0.00 -0.02 -0.02 -0.04 2.56 2.48 3dm0A1 MET 321 HE3 0.06 0.01 -0.15 -0.04 2.10 1.98 3dm0A1 GLU 322 H 0.01 0.37 -0.38 -0.55 8.60 8.06 3dm0A1 GLU 322 HA -0.01 0.06 0.55 -0.75 4.29 4.13 3dm0A1 GLU 322 HB2 -0.01 -0.00 0.09 -0.04 2.09 2.13 3dm0A1 GLU 322 HB3 -0.00 0.10 0.16 -0.04 1.99 2.20 3dm0A1 GLU 322 HG2 -0.01 -0.00 -0.25 -0.04 2.34 2.04 3dm0A1 GLU 322 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 3dm0A1 ASN 323 H 0.02 0.50 -0.11 -0.55 8.53 8.40 3dm0A1 ASN 323 HA 0.01 0.06 0.54 -0.75 4.76 4.61 3dm0A1 ASN 323 HB2 0.03 0.13 0.15 -0.04 2.88 3.15 3dm0A1 ASN 323 HB3 0.02 -0.02 0.05 -0.04 2.79 2.81 3dm0A1 ASN 323 HD21 0.01 0.07 -0.04 -0.04 7.03 7.02 3dm0A1 ASN 323 HD22 0.03 0.09 -0.04 -0.04 7.74 7.78 3dm0A1 ALA 324 H 0.02 0.45 -0.21 -0.55 8.40 8.12 3dm0A1 ALA 324 HA 0.05 -0.02 0.26 -0.75 4.34 3.88 3dm0A1 ALA 324 HB3 0.03 0.01 -0.02 -0.04 1.41 1.39 3dm0A1 GLN 325 H -0.01 0.38 -0.40 -0.55 8.47 7.90 3dm0A1 GLN 325 HA -0.04 -0.02 0.33 -0.75 4.36 3.88 3dm0A1 GLN 325 HB2 -0.02 0.16 0.12 -0.04 2.15 2.37 3dm0A1 GLN 325 HB3 -0.03 -0.06 0.02 -0.04 2.02 1.90 3dm0A1 GLN 325 HG2 -0.07 -0.10 0.03 -0.04 2.40 2.23 3dm0A1 GLN 325 HG3 -0.04 0.31 0.12 -0.04 2.39 2.74 3dm0A1 GLN 325 HE21 -0.04 -0.05 -0.02 -0.04 6.97 6.82 3dm0A1 GLN 325 HE22 -0.07 -0.04 -0.01 -0.04 7.69 7.52 3dm0A1 LYS 326 H 0.00 0.24 -0.45 -0.55 8.42 7.66 3dm0A1 LYS 326 HA -0.01 -0.00 0.58 -0.75 4.32 4.14 3dm0A1 LYS 326 HB2 0.00 0.12 0.16 -0.04 1.87 2.12 3dm0A1 LYS 326 HB3 -0.00 -0.01 0.04 -0.04 1.79 1.78 3dm0A1 LYS 326 HG2 -0.01 0.32 0.14 -0.04 1.46 1.87 3dm0A1 LYS 326 HG3 -0.00 -0.11 0.04 -0.04 1.46 1.35 3dm0A1 LYS 326 HD2 -0.01 -0.03 0.04 -0.04 1.69 1.65 3dm0A1 LYS 326 HD3 -0.01 0.02 -0.07 -0.04 1.68 1.58 3dm0A1 LYS 326 HE2 -0.02 -0.05 -0.01 -0.04 2.99 2.87 3dm0A1 LYS 326 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.95 3dm0A1 GLY 327 H 0.02 0.24 -0.31 -0.55 8.43 7.84 3dm0A1 GLY 327 HA2 0.00 0.06 0.69 -0.51 4.01 4.26 3dm0A1 GLY 327 HA3 0.05 0.18 0.30 -0.51 4.01 4.03 3dm0A1 GLU 328 H 0.13 0.30 0.20 -0.55 8.60 8.69 3dm0A1 GLU 328 HA 0.08 0.18 0.64 -0.75 4.29 4.43 3dm0A1 GLU 328 HB2 0.09 -0.06 0.09 -0.04 2.09 2.17 3dm0A1 GLU 328 HB3 0.06 0.13 -0.26 -0.04 1.99 1.88 3dm0A1 GLU 328 HG2 0.10 -0.02 -0.11 -0.04 2.34 2.28 3dm0A1 GLU 328 HG3 0.40 -0.03 -0.33 -0.04 2.34 2.34 3dm0A1 ILE 329 H 0.12 0.14 0.13 -0.55 8.25 8.09 3dm0A1 ILE 329 HA 0.27 0.10 0.59 -0.75 4.18 4.39 3dm0A1 ILE 329 HB 0.13 -0.02 0.09 -0.04 1.89 2.04 3dm0A1 ILE 329 HG12 0.15 0.00 -0.04 -0.04 1.49 1.56 3dm0A1 ILE 329 HG13 0.07 0.01 0.02 -0.04 1.21 1.28 3dm0A1 ILE 329 HG23 0.08 0.05 -0.07 -0.04 0.93 0.95 3dm0A1 ILE 329 HD13 0.20 -0.01 -0.07 -0.04 0.88 0.96 3dm0A1 MET 330 H 0.38 0.46 0.32 -0.55 8.47 9.08 3dm0A1 MET 330 HA -0.19 0.07 0.45 -0.75 4.52 4.10 3dm0A1 MET 330 HB2 -0.14 -0.14 0.13 -0.04 2.15 1.95 3dm0A1 MET 330 HB3 -0.29 0.12 0.09 -0.04 2.03 1.91 3dm0A1 MET 330 HG2 -0.62 0.01 0.01 -0.04 2.63 1.99 3dm0A1 MET 330 HG3 0.24 0.10 -0.20 -0.04 2.56 2.66 3dm0A1 MET 330 HE3 0.09 -0.03 -0.10 -0.04 2.10 2.01 3dm0A1 PRO 331 HA 0.02 0.14 0.55 -0.51 4.44 4.65 3dm0A1 PRO 331 HB2 -0.36 -0.04 0.05 -0.04 2.28 1.88 3dm0A1 PRO 331 HB3 -0.83 0.01 0.14 -0.04 2.02 1.29 3dm0A1 PRO 331 HG2 -0.51 -0.02 0.08 -0.04 2.03 1.54 3dm0A1 PRO 331 HG3 -0.47 0.14 0.05 -0.04 2.03 1.71 3dm0A1 PRO 331 HD2 -0.59 0.03 0.22 -0.04 3.68 3.30 3dm0A1 PRO 331 HD3 -0.27 0.20 0.21 -0.04 3.65 3.75 3dm0A1 ASN 332 H 0.09 0.15 0.15 -0.55 8.53 8.37 3dm0A1 ASN 332 HA -0.04 0.25 0.86 -0.75 4.76 5.08 3dm0A1 ASN 332 HB2 0.10 -0.15 0.07 -0.04 2.88 2.86 3dm0A1 ASN 332 HB3 0.27 0.14 -0.12 -0.04 2.79 3.04 3dm0A1 ASN 332 HD21 0.24 0.25 -0.22 -0.04 7.03 7.26 3dm0A1 ASN 332 HD22 0.22 0.38 -0.09 -0.04 7.74 8.21 3dm0A1 ILE 333 H -0.06 0.00 -0.04 -0.55 8.25 7.61 3dm0A1 ILE 333 HA 0.10 0.16 0.46 -0.75 4.18 4.14 3dm0A1 ILE 333 HB -0.03 0.06 0.10 -0.04 1.89 1.98 3dm0A1 ILE 333 HG12 -0.23 -0.03 0.02 -0.04 1.49 1.21 3dm0A1 ILE 333 HG13 -0.23 -0.19 -0.17 -0.04 1.21 0.58 3dm0A1 ILE 333 HG23 0.09 0.00 0.09 -0.04 0.93 1.08 3dm0A1 ILE 333 HD13 -0.49 0.03 -0.04 -0.04 0.88 0.34 3dm0A1 PRO 334 HA -0.10 0.01 0.36 -0.51 4.44 4.20 3dm0A1 PRO 334 HB2 -0.00 0.04 0.05 -0.04 2.28 2.32 3dm0A1 PRO 334 HB3 -0.02 0.08 0.09 -0.04 2.02 2.13 3dm0A1 PRO 334 HG2 0.06 0.09 0.05 -0.04 2.03 2.20 3dm0A1 PRO 334 HG3 -0.13 0.14 -0.25 -0.04 2.03 1.75 3dm0A1 PRO 334 HD2 0.07 0.09 0.18 -0.04 3.68 3.98 3dm0A1 PRO 334 HD3 0.03 0.14 0.18 -0.04 3.65 3.95 3dm0A1 GLN 335 H -0.12 0.08 -0.31 -0.55 8.47 7.58 3dm0A1 GLN 335 HA 0.02 0.13 0.39 -0.75 4.36 4.14 3dm0A1 GLN 335 HB2 -0.54 -0.09 -0.00 -0.04 2.15 1.48 3dm0A1 GLN 335 HB3 -0.16 0.14 0.06 -0.04 2.02 2.02 3dm0A1 GLN 335 HG2 -0.26 0.06 0.05 -0.04 2.40 2.21 3dm0A1 GLN 335 HG3 -0.05 0.14 0.04 -0.04 2.39 2.48 3dm0A1 GLN 335 HE21 -0.00 -0.01 0.01 -0.04 6.97 6.93 3dm0A1 GLN 335 HE22 -0.01 0.12 -0.00 -0.04 7.69 7.75 3dm0A1 MET 336 H -0.06 0.53 -0.38 -0.55 8.47 8.01 3dm0A1 MET 336 HA 0.01 -0.02 0.31 -0.75 4.52 4.06 3dm0A1 MET 336 HB2 -0.06 0.24 0.05 -0.04 2.15 2.34 3dm0A1 MET 336 HB3 -0.04 -0.10 -0.08 -0.04 2.03 1.77 3dm0A1 MET 336 HG2 -0.15 -0.08 -0.08 -0.04 2.63 2.28 3dm0A1 MET 336 HG3 -0.19 0.29 0.01 -0.04 2.56 2.63 3dm0A1 MET 336 HE3 -0.97 -0.02 0.02 -0.04 2.10 1.08 3dm0A1 SER 337 H 0.02 0.37 -0.15 -0.55 8.46 8.16 3dm0A1 SER 337 HA 0.09 -0.03 0.42 -0.75 4.49 4.22 3dm0A1 SER 337 HB2 -0.04 -0.02 0.04 -0.04 3.95 3.89 3dm0A1 SER 337 HB3 -0.02 -0.00 0.09 -0.04 3.93 3.96 3dm0A1 ALA 338 H 0.12 0.27 -0.19 -0.55 8.40 8.06 3dm0A1 ALA 338 HA 0.26 0.00 0.40 -0.75 4.34 4.26 3dm0A1 ALA 338 HB3 0.16 0.10 0.14 -0.04 1.41 1.77 3dm0A1 PHE 339 H 0.19 0.50 -0.12 -0.55 8.34 8.36 3dm0A1 PHE 339 HA -0.12 0.03 0.41 -0.75 4.62 4.19 3dm0A1 PHE 339 HB2 -0.31 0.04 0.04 -0.04 3.15 2.87 3dm0A1 PHE 339 HB3 -0.43 0.14 0.17 -0.04 3.06 2.90 3dm0A1 PHE 339 HD2 -1.18 0.06 -0.04 -0.04 7.28 6.08 3dm0A1 PHE 339 HE2 -1.29 0.01 -0.11 -0.04 7.38 5.94 3dm0A1 PHE 339 HZ -2.72 0.01 -0.15 -0.04 7.32 4.42 3dm0A1 TRP 340 H -0.07 0.61 -0.09 -0.55 7.97 7.87 3dm0A1 TRP 340 HA -0.41 -0.04 0.40 -0.75 4.62 3.82 3dm0A1 TRP 340 HB2 -0.29 0.14 0.18 -0.04 3.23 3.22 3dm0A1 TRP 340 HB3 -0.21 -0.08 -0.02 -0.04 3.23 2.87 3dm0A1 TRP 340 HD1 -0.11 -0.01 -0.20 -0.04 7.22 6.87 3dm0A1 TRP 340 HE1 -0.11 -0.02 -0.09 -0.04 10.20 9.94 3dm0A1 TRP 340 HE3 -0.17 -0.02 0.01 -0.04 7.59 7.37 3dm0A1 TRP 340 HZ2 -0.09 0.01 -0.04 -0.04 7.44 7.28 3dm0A1 TRP 340 HZ3 0.07 0.00 -0.28 -0.04 7.13 6.88 3dm0A1 TRP 340 HH2 0.26 0.04 -0.05 -0.04 7.19 7.40 3dm0A1 TYR 341 H 0.05 0.73 -0.04 -0.55 8.29 8.48 3dm0A1 TYR 341 HA 0.07 -0.04 0.44 -0.75 4.56 4.29 3dm0A1 TYR 341 HB2 0.05 0.16 0.15 -0.04 3.06 3.38 3dm0A1 TYR 341 HB3 0.04 -0.02 0.01 -0.04 2.98 2.97 3dm0A1 TYR 341 HD2 0.06 -0.01 -0.07 -0.04 7.15 7.08 3dm0A1 TYR 341 HE2 0.02 -0.03 -0.04 -0.04 6.85 6.76 3dm0A1 ALA 342 H 0.06 0.61 -0.28 -0.55 8.40 8.25 3dm0A1 ALA 342 HA 0.04 0.01 0.41 -0.75 4.34 4.05 3dm0A1 ALA 342 HB3 -0.03 0.03 0.10 -0.04 1.41 1.47 3dm0A1 VAL 343 H -0.29 0.72 0.02 -0.55 8.24 8.14 3dm0A1 VAL 343 HA -0.04 -0.01 0.39 -0.75 4.13 3.71 3dm0A1 VAL 343 HB -0.23 0.04 0.11 -0.04 2.12 2.00 3dm0A1 VAL 343 HG13 0.21 -0.03 -0.08 -0.04 0.97 1.03 3dm0A1 VAL 343 HG23 -0.89 0.07 0.02 -0.04 0.95 0.12 3dm0A1 ARG 344 H 0.08 0.65 -0.20 -0.55 8.46 8.43 3dm0A1 ARG 344 HA 0.12 -0.03 0.41 -0.75 4.34 4.08 3dm0A1 ARG 344 HB2 0.14 -0.08 0.17 -0.04 1.90 2.09 3dm0A1 ARG 344 HB3 0.15 0.12 0.19 -0.04 1.80 2.22 3dm0A1 ARG 344 HG2 0.09 -0.00 -0.29 -0.04 1.67 1.43 3dm0A1 ARG 344 HG3 0.10 0.15 0.14 -0.04 1.67 2.02 3dm0A1 ARG 344 HD2 0.13 -0.09 0.04 -0.04 3.22 3.26 3dm0A1 ARG 344 HD3 0.14 0.01 0.00 -0.04 3.22 3.34 3dm0A1 THR 345 H 0.08 0.53 -0.12 -0.55 8.28 8.22 3dm0A1 THR 345 HA 0.05 0.00 0.43 -0.75 4.39 4.12 3dm0A1 THR 345 HB 0.04 0.14 0.19 -0.04 4.32 4.65 3dm0A1 THR 345 HG23 0.02 -0.02 -0.08 -0.04 1.22 1.09 3dm0A1 ALA 346 H 0.04 0.51 -0.11 -0.55 8.40 8.28 3dm0A1 ALA 346 HA 0.03 -0.04 0.32 -0.75 4.34 3.89 3dm0A1 ALA 346 HB3 0.03 0.02 -0.02 -0.04 1.41 1.40 3dm0A1 VAL 347 H 0.07 0.63 -0.08 -0.55 8.24 8.31 3dm0A1 VAL 347 HA 0.04 -0.04 0.37 -0.75 4.13 3.74 3dm0A1 VAL 347 HB 0.09 0.12 0.10 -0.04 2.12 2.39 3dm0A1 VAL 347 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 3dm0A1 VAL 347 HG23 0.13 0.02 0.02 -0.04 0.95 1.08 3dm0A1 ILE 348 H 0.05 0.58 -0.13 -0.55 8.25 8.19 3dm0A1 ILE 348 HA 0.02 0.06 0.41 -0.75 4.18 3.92 3dm0A1 ILE 348 HB 0.03 0.10 0.19 -0.04 1.89 2.17 3dm0A1 ILE 348 HG12 0.03 -0.01 0.08 -0.04 1.49 1.55 3dm0A1 ILE 348 HG13 0.05 0.20 0.16 -0.04 1.21 1.58 3dm0A1 ILE 348 HG23 0.01 -0.03 -0.11 -0.04 0.93 0.76 3dm0A1 ILE 348 HD13 0.04 -0.03 0.03 -0.04 0.88 0.89 3dm0A1 ASN 349 H 0.02 0.72 -0.03 -0.55 8.53 8.69 3dm0A1 ASN 349 HA 0.01 -0.00 0.47 -0.75 4.76 4.48 3dm0A1 ASN 349 HB2 0.01 0.09 0.08 -0.04 2.88 3.02 3dm0A1 ASN 349 HB3 0.01 -0.12 -0.10 -0.04 2.79 2.54 3dm0A1 ASN 349 HD21 0.01 -0.00 -0.05 -0.04 7.03 6.94 3dm0A1 ASN 349 HD22 0.01 -0.05 -0.11 -0.04 7.74 7.56 3dm0A1 ALA 350 H 0.02 0.71 -0.08 -0.55 8.40 8.51 3dm0A1 ALA 350 HA 0.00 0.25 0.34 -0.75 4.34 4.18 3dm0A1 ALA 350 HB3 0.01 -0.02 -0.00 -0.04 1.41 1.35 3dm0A1 ALA 351 H 0.01 0.62 -0.19 -0.55 8.40 8.29 3dm0A1 ALA 351 HA -0.01 -0.01 0.44 -0.75 4.34 4.01 3dm0A1 ALA 351 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.48 3dm0A1 SER 352 H 0.00 0.67 0.00 -0.55 8.46 8.59 3dm0A1 SER 352 HA -0.01 0.01 0.51 -0.75 4.49 4.25 3dm0A1 SER 352 HB2 -0.00 -0.07 0.11 -0.04 3.95 3.95 3dm0A1 SER 352 HB3 -0.00 0.05 0.14 -0.04 3.93 4.07 3dm0A1 GLY 353 H -0.00 0.40 -0.41 -0.55 8.43 7.88 3dm0A1 GLY 353 HA2 -0.00 0.08 0.31 -0.51 4.01 3.88 3dm0A1 GLY 353 HA3 -0.01 0.13 0.73 -0.51 4.01 4.36 3dm0A1 ARG 354 H -0.00 0.09 -0.21 -0.55 8.46 7.78 3dm0A1 ARG 354 HA -0.00 0.03 0.31 -0.75 4.34 3.93 3dm0A1 ARG 354 HB2 0.00 -0.05 0.06 -0.04 1.90 1.87 3dm0A1 ARG 354 HB3 -0.00 -0.03 0.02 -0.04 1.80 1.75 3dm0A1 ARG 354 HG2 -0.00 0.02 0.00 -0.04 1.67 1.65 3dm0A1 ARG 354 HG3 -0.00 0.01 0.01 -0.04 1.67 1.65 3dm0A1 ARG 354 HD2 -0.00 -0.02 -0.01 -0.04 3.22 3.14 3dm0A1 ARG 354 HD3 -0.00 -0.00 -0.00 -0.04 3.22 3.17 3dm0A1 GLN 355 H 0.00 0.39 -0.46 -0.55 8.47 7.85 3dm0A1 GLN 355 HA 0.00 0.17 0.75 -0.75 4.36 4.53 3dm0A1 GLN 355 HB2 0.01 -0.05 -0.25 -0.04 2.15 1.81 3dm0A1 GLN 355 HB3 0.01 -0.07 -0.06 -0.04 2.02 1.86 3dm0A1 GLN 355 HG2 0.00 0.07 -0.06 -0.04 2.40 2.37 3dm0A1 GLN 355 HG3 0.00 -0.01 -0.43 -0.04 2.39 1.91 3dm0A1 GLN 355 HE21 0.01 0.02 -0.13 -0.04 6.97 6.83 3dm0A1 GLN 355 HE22 0.00 -0.00 -0.09 -0.04 7.69 7.56 3dm0A1 THR 356 H 0.00 0.07 0.12 -0.55 8.28 7.92 3dm0A1 THR 356 HA 0.00 0.28 0.66 -0.75 4.39 4.58 3dm0A1 THR 356 HB 0.01 0.01 0.14 -0.04 4.32 4.43 3dm0A1 THR 356 HG23 0.00 0.06 0.02 -0.04 1.22 1.26 3dm0A1 VAL 357 H 0.01 0.24 0.15 -0.55 8.24 8.09 3dm0A1 VAL 357 HA 0.01 0.12 0.34 -0.75 4.13 3.85 3dm0A1 VAL 357 HB 0.01 -0.05 0.15 -0.04 2.12 2.19 3dm0A1 VAL 357 HG13 0.01 0.04 -0.12 -0.04 0.97 0.86 3dm0A1 VAL 357 HG23 0.00 0.03 -0.02 -0.04 0.95 0.93 3dm0A1 ASP 358 H 0.01 0.13 -0.07 -0.55 8.40 7.92 3dm0A1 ASP 358 HA 0.01 0.10 0.35 -0.75 4.63 4.34 3dm0A1 ASP 358 HB2 0.01 -0.05 0.06 -0.04 2.71 2.68 3dm0A1 ASP 358 HB3 0.01 0.07 -0.02 -0.04 2.70 2.72 3dm0A1 ALA 359 H 0.01 -0.01 -0.40 -0.55 8.40 7.46 3dm0A1 ALA 359 HA 0.01 0.06 0.37 -0.75 4.34 4.03 3dm0A1 ALA 359 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 3dm0A1 ALA 360 H 0.01 0.83 -0.08 -0.55 8.40 8.62 3dm0A1 ALA 360 HA 0.01 0.01 0.36 -0.75 4.34 3.97 3dm0A1 ALA 360 HB3 0.02 -0.01 0.02 -0.04 1.41 1.40 3dm0A1 LEU 361 H 0.02 0.74 -0.04 -0.55 8.37 8.54 3dm0A1 LEU 361 HA 0.03 0.03 0.47 -0.75 4.35 4.11 3dm0A1 LEU 361 HB2 0.01 0.03 0.08 -0.04 1.64 1.73 3dm0A1 LEU 361 HB3 0.02 0.05 -0.02 -0.04 1.64 1.64 3dm0A1 LEU 361 HG 0.02 0.12 0.01 -0.04 1.64 1.74 3dm0A1 LEU 361 HD13 0.01 0.04 -0.16 -0.04 0.93 0.78 3dm0A1 LEU 361 HD23 0.04 -0.00 -0.07 -0.04 0.89 0.82 3dm0A1 ALA 362 H 0.01 0.62 -0.10 -0.55 8.40 8.39 3dm0A1 ALA 362 HA 0.01 -0.01 0.37 -0.75 4.34 3.95 3dm0A1 ALA 362 HB3 0.01 0.04 0.11 -0.04 1.41 1.53 3dm0A1 ALA 363 H 0.02 0.41 -0.32 -0.55 8.40 7.96 3dm0A1 ALA 363 HA 0.02 0.03 0.44 -0.75 4.34 4.08 3dm0A1 ALA 363 HB3 0.02 0.04 0.06 -0.04 1.41 1.48 3dm0A1 ALA 364 H 0.02 0.42 -0.16 -0.55 8.40 8.13 3dm0A1 ALA 364 HA 0.02 0.01 0.39 -0.75 4.34 4.00 3dm0A1 ALA 364 HB3 0.01 0.02 0.03 -0.04 1.41 1.42 3dm0A1 GLN 365 H 0.02 0.87 -0.17 -0.55 8.47 8.65 3dm0A1 GLN 365 HA 0.03 -0.10 0.32 -0.75 4.36 3.86 3dm0A1 GLN 365 HB2 0.01 -0.11 0.00 -0.04 2.15 2.01 3dm0A1 GLN 365 HB3 0.02 0.30 0.16 -0.04 2.02 2.46 3dm0A1 GLN 365 HG2 0.02 -0.01 -0.03 -0.04 2.40 2.34 3dm0A1 GLN 365 HG3 0.03 0.04 -0.32 -0.04 2.39 2.10 3dm0A1 GLN 365 HE21 0.03 0.28 0.16 -0.04 6.97 7.39 3dm0A1 GLN 365 HE22 0.04 0.03 0.03 -0.04 7.69 7.75 3dm0A1 THR 366 H 0.03 0.39 -0.25 -0.55 8.28 7.90 3dm0A1 THR 366 HA 0.04 0.01 0.44 -0.75 4.39 4.13 3dm0A1 THR 366 HB 0.03 0.13 0.20 -0.04 4.32 4.64 3dm0A1 THR 366 HG23 0.03 -0.02 -0.10 -0.04 1.22 1.09 3dm0A1 ASN 367 H 0.04 0.60 -0.01 -0.55 8.53 8.62 3dm0A1 ASN 367 HA 0.07 0.01 0.45 -0.75 4.76 4.54 3dm0A1 ASN 367 HB2 0.04 0.02 0.15 -0.04 2.88 3.05 3dm0A1 ASN 367 HB3 0.06 -0.03 0.05 -0.04 2.79 2.83 3dm0A1 ASN 367 HD21 0.03 -0.04 -0.01 -0.04 7.03 6.97 3dm0A1 ASN 367 HD22 0.05 -0.01 0.01 -0.04 7.74 7.75 3dm0A1 ALA 368 H 0.07 0.58 -0.20 -0.55 8.40 8.31 3dm0A1 ALA 368 HA 0.15 0.00 0.24 -0.75 4.34 3.98 3dm0A1 ALA 368 HB3 0.10 -0.02 0.05 -0.04 1.41 1.51 3dm0A1 ALA 369 H 0.11 0.29 -0.18 -0.55 8.40 8.08 3dm0A1 ALA 369 HA 0.19 0.20 0.72 -0.75 4.34 4.70 3dm0A1 ALA 369 HB3 0.11 -0.04 0.12 -0.04 1.41 1.56 3dm0A1 ALA 370 H 0.09 0.31 -0.18 -0.55 8.40 8.07 3dm0A1 ALA 370 HA 0.05 -0.13 0.35 -0.75 4.34 3.85 3dm0A1 ALA 370 HB3 0.07 0.06 -0.00 -0.04 1.41 1.50 3dm0A1 GLY 1004 H 0.04 0.01 0.17 -0.55 8.43 8.10 3dm0A1 GLY 1004 HA2 0.08 0.17 0.74 -0.51 4.01 4.48 3dm0A1 GLY 1004 HA3 0.07 -0.05 0.38 -0.51 4.01 3.90 3dm0A1 LEU 1005 H 0.05 0.05 0.14 -0.55 8.37 8.06 3dm0A1 LEU 1005 HA 0.16 0.14 0.45 -0.75 4.35 4.34 3dm0A1 LEU 1005 HB2 0.07 -0.02 0.08 -0.04 1.64 1.72 3dm0A1 LEU 1005 HB3 0.01 -0.03 0.06 -0.04 1.64 1.64 3dm0A1 LEU 1005 HG 0.22 -0.02 -0.05 -0.04 1.64 1.75 3dm0A1 LEU 1005 HD13 0.35 0.02 -0.15 -0.04 0.93 1.10 3dm0A1 LEU 1005 HD23 0.06 -0.01 -0.11 -0.04 0.89 0.79 3dm0A1 VAL 1006 H 0.16 0.60 0.30 -0.55 8.24 8.75 3dm0A1 VAL 1006 HA 0.24 0.19 0.92 -0.75 4.13 4.73 3dm0A1 VAL 1006 HB 0.06 -0.10 0.08 -0.04 2.12 2.12 3dm0A1 VAL 1006 HG13 0.09 0.04 -0.34 -0.04 0.97 0.72 3dm0A1 VAL 1006 HG23 0.05 0.03 -0.13 -0.04 0.95 0.86 3dm0A1 LEU 1007 H 0.02 0.16 0.10 -0.55 8.37 8.10 3dm0A1 LEU 1007 HA -0.57 0.26 0.80 -0.75 4.35 4.09 3dm0A1 LEU 1007 HB2 -0.50 -0.03 0.08 -0.04 1.64 1.15 3dm0A1 LEU 1007 HB3 -0.21 0.00 0.20 -0.04 1.64 1.60 3dm0A1 LEU 1007 HG -0.36 -0.04 -0.13 -0.04 1.64 1.08 3dm0A1 LEU 1007 HD13 -0.95 0.10 0.03 -0.04 0.93 0.07 3dm0A1 LEU 1007 HD23 -0.31 -0.01 -0.05 -0.04 0.89 0.48 3dm0A1 LYS 1008 H -0.29 0.35 0.19 -0.55 8.42 8.12 3dm0A1 LYS 1008 HA -0.10 0.07 0.32 -0.75 4.32 3.86 3dm0A1 LYS 1008 HB2 -0.39 -0.07 -0.21 -0.04 1.87 1.16 3dm0A1 LYS 1008 HB3 -0.05 -0.01 -0.06 -0.04 1.79 1.63 3dm0A1 LYS 1008 HG2 -0.00 0.06 -0.18 -0.04 1.46 1.30 3dm0A1 LYS 1008 HG3 -0.06 0.03 -0.19 -0.04 1.46 1.21 3dm0A1 LYS 1008 HD2 0.03 -0.07 -0.22 -0.04 1.69 1.39 3dm0A1 LYS 1008 HD3 -0.14 0.04 -0.60 -0.04 1.68 0.95 3dm0A1 LYS 1008 HE2 0.08 -0.07 -0.15 -0.04 2.99 2.80 3dm0A1 LYS 1008 HE3 0.10 0.05 -0.12 -0.04 2.99 2.99 3dm0A1 GLY 1009 H -0.42 0.27 -0.14 -0.55 8.43 7.59 3dm0A1 GLY 1009 HA2 -0.16 0.12 0.26 -0.51 4.01 3.72 3dm0A1 GLY 1009 HA3 -0.12 0.06 0.50 -0.51 4.01 3.94 3dm0A1 THR 1010 H -0.12 0.26 0.23 -0.55 8.28 8.10 3dm0A1 THR 1010 HA -0.26 0.31 1.07 -0.75 4.39 4.75 3dm0A1 THR 1010 HB -0.16 -0.01 -0.07 -0.04 4.32 4.04 3dm0A1 THR 1010 HG23 -0.24 -0.00 -0.21 -0.04 1.22 0.73 3dm0A1 MET 1011 H -0.26 0.71 0.30 -0.55 8.47 8.67 3dm0A1 MET 1011 HA -0.16 0.19 0.95 -0.75 4.52 4.74 3dm0A1 MET 1011 HB2 -0.90 -0.04 0.06 -0.04 2.15 1.23 3dm0A1 MET 1011 HB3 -1.72 0.01 -0.12 -0.04 2.03 0.16 3dm0A1 MET 1011 HG2 -0.15 -0.01 -0.15 -0.04 2.63 2.28 3dm0A1 MET 1011 HG3 -0.22 -0.02 -0.35 -0.04 2.56 1.93 3dm0A1 MET 1011 HE3 -0.00 0.01 -0.26 -0.04 2.10 1.81 3dm0A1 ARG 1012 H 0.10 0.28 0.16 -0.55 8.46 8.44 3dm0A1 ARG 1012 HA 0.12 0.15 1.04 -0.75 4.34 4.89 3dm0A1 ARG 1012 HB2 0.06 0.03 0.06 -0.04 1.90 2.01 3dm0A1 ARG 1012 HB3 0.06 0.08 -0.05 -0.04 1.80 1.85 3dm0A1 ARG 1012 HG2 -0.01 0.02 -0.14 -0.04 1.67 1.50 3dm0A1 ARG 1012 HG3 -0.04 -0.14 -0.52 -0.04 1.67 0.93 3dm0A1 ARG 1012 HD2 -0.01 0.03 -0.06 -0.04 3.22 3.14 3dm0A1 ARG 1012 HD3 -0.01 0.03 -0.07 -0.04 3.22 3.14 3dm0A1 ALA 1013 H 0.19 0.23 0.13 -0.55 8.40 8.40 3dm0A1 ALA 1013 HA 0.03 0.09 0.37 -0.75 4.34 4.08 3dm0A1 ALA 1013 HB3 -0.14 0.03 -0.07 -0.04 1.41 1.19 3dm0A1 HIS 1014 H 0.15 0.09 0.12 -0.55 8.41 8.22 3dm0A1 HIS 1014 HA 0.02 -0.00 0.42 -0.75 4.63 4.31 3dm0A1 HIS 1014 HB2 0.10 0.27 0.20 -0.04 3.26 3.79 3dm0A1 HIS 1014 HB3 0.03 0.06 0.07 -0.04 3.20 3.31 3dm0A1 HIS 1014 HD2 0.21 0.04 -0.10 -0.04 6.97 7.08 3dm0A1 HIS 1014 HE1 -0.04 0.04 -0.44 -0.04 7.75 7.27 3dm0A1 THR 1015 H 0.11 0.05 0.17 -0.55 8.28 8.07 3dm0A1 THR 1015 HA 0.04 0.25 0.76 -0.75 4.39 4.68 3dm0A1 THR 1015 HB 0.01 0.01 0.15 -0.04 4.32 4.45 3dm0A1 THR 1015 HG23 0.01 0.04 -0.03 -0.04 1.22 1.21 3dm0A1 ASP 1016 H 0.03 0.12 -0.11 -0.55 8.40 7.90 3dm0A1 ASP 1016 HA -0.06 0.24 0.51 -0.75 4.63 4.57 3dm0A1 ASP 1016 HB2 -0.05 0.05 -0.39 -0.04 2.71 2.27 3dm0A1 ASP 1016 HB3 -0.14 -0.21 -0.22 -0.04 2.70 2.09 3dm0A1 MET 1017 H -0.16 0.19 0.11 -0.55 8.47 8.06 3dm0A1 MET 1017 HA -0.11 0.05 0.39 -0.75 4.52 4.10 3dm0A1 MET 1017 HB2 -0.19 0.12 0.20 -0.04 2.15 2.25 3dm0A1 MET 1017 HB3 -0.28 -0.12 0.13 -0.04 2.03 1.71 3dm0A1 MET 1017 HG2 -0.15 0.01 -0.51 -0.04 2.63 1.94 3dm0A1 MET 1017 HG3 -0.16 -0.01 -0.10 -0.04 2.56 2.25 3dm0A1 MET 1017 HE3 -0.13 -0.00 0.06 -0.04 2.10 1.98 3dm0A1 VAL 1018 H -0.08 0.52 0.22 -0.55 8.24 8.35 3dm0A1 VAL 1018 HA -0.22 0.11 0.87 -0.75 4.13 4.13 3dm0A1 VAL 1018 HB -0.01 -0.14 0.18 -0.04 2.12 2.11 3dm0A1 VAL 1018 HG13 0.03 -0.00 -0.13 -0.04 0.97 0.83 3dm0A1 VAL 1018 HG23 0.11 -0.03 -0.14 -0.04 0.95 0.85 3dm0A1 THR 1019 H -0.14 0.34 0.26 -0.55 8.28 8.20 3dm0A1 THR 1019 HA -0.03 0.11 0.53 -0.75 4.39 4.24 3dm0A1 THR 1019 HB 0.01 0.19 0.12 -0.04 4.32 4.59 3dm0A1 THR 1019 HG23 -0.15 -0.03 -0.09 -0.04 1.22 0.90 3dm0A1 ALA 1020 H -0.01 0.27 0.10 -0.55 8.40 8.21 3dm0A1 ALA 1020 HA 0.04 0.15 0.64 -0.75 4.34 4.42 3dm0A1 ALA 1020 HB3 0.05 0.08 -0.00 -0.04 1.41 1.49 3dm0A1 ILE 1021 H 0.06 0.32 0.16 -0.55 8.25 8.24 3dm0A1 ILE 1021 HA 0.06 0.27 0.96 -0.75 4.18 4.72 3dm0A1 ILE 1021 HB 0.06 -0.04 -0.18 -0.04 1.89 1.68 3dm0A1 ILE 1021 HG12 0.05 0.06 -0.12 -0.04 1.49 1.43 3dm0A1 ILE 1021 HG13 0.04 -0.10 -0.73 -0.04 1.21 0.38 3dm0A1 ILE 1021 HG23 0.03 -0.00 -0.30 -0.04 0.93 0.61 3dm0A1 ILE 1021 HD13 0.04 -0.00 -0.44 -0.04 0.88 0.44 3dm0A1 ALA 1022 H 0.05 0.69 0.30 -0.55 8.40 8.90 3dm0A1 ALA 1022 HA 0.09 0.20 1.00 -0.75 4.34 4.88 3dm0A1 ALA 1022 HB3 0.09 0.02 -0.08 -0.04 1.41 1.40 3dm0A1 THR 1023 H 0.10 0.24 0.19 -0.55 8.28 8.26 3dm0A1 THR 1023 HA 0.00 0.22 1.09 -0.75 4.39 4.95 3dm0A1 THR 1023 HB 0.12 -0.01 0.08 -0.04 4.32 4.47 3dm0A1 THR 1023 HG23 0.08 -0.01 -0.33 -0.04 1.22 0.92 3dm0A1 PRO 1024 HA 0.06 0.02 0.50 -0.51 4.44 4.50 3dm0A1 PRO 1024 HB2 0.04 -0.17 0.05 -0.04 2.28 2.16 3dm0A1 PRO 1024 HB3 0.03 0.09 0.13 -0.04 2.02 2.23 3dm0A1 PRO 1024 HG2 0.06 -0.13 0.16 -0.04 2.03 2.09 3dm0A1 PRO 1024 HG3 0.03 0.21 0.15 -0.04 2.03 2.38 3dm0A1 PRO 1024 HD2 0.02 0.05 0.36 -0.04 3.68 4.07 3dm0A1 PRO 1024 HD3 0.01 0.23 0.34 -0.04 3.65 4.19 3dm0A1 ILE 1025 H 0.05 0.19 0.25 -0.55 8.25 8.20 3dm0A1 ILE 1025 HA 0.07 0.15 0.58 -0.75 4.18 4.22 3dm0A1 ILE 1025 HB 0.03 0.03 0.24 -0.04 1.89 2.15 3dm0A1 ILE 1025 HG12 0.06 0.04 0.14 -0.04 1.49 1.69 3dm0A1 ILE 1025 HG13 0.06 0.00 0.13 -0.04 1.21 1.37 3dm0A1 ILE 1025 HG23 0.03 0.01 -0.08 -0.04 0.93 0.85 3dm0A1 ILE 1025 HD13 0.03 -0.01 0.07 -0.04 0.88 0.94 3dm0A1 ASP 1026 H 0.04 0.10 -0.03 -0.55 8.40 7.96 3dm0A1 ASP 1026 HA 0.03 0.17 0.49 -0.75 4.63 4.57 3dm0A1 ASP 1026 HB2 0.02 0.05 0.16 -0.04 2.71 2.90 3dm0A1 ASP 1026 HB3 0.02 0.03 0.11 -0.04 2.70 2.83 3dm0A1 ASN 1027 H 0.06 0.28 -1.04 -0.55 8.53 7.28 3dm0A1 ASN 1027 HA 0.09 0.00 0.34 -0.75 4.76 4.44 3dm0A1 ASN 1027 HB2 0.06 0.02 -0.17 -0.04 2.88 2.75 3dm0A1 ASN 1027 HB3 0.05 0.21 0.00 -0.04 2.79 3.01 3dm0A1 ASN 1027 HD21 0.08 -0.03 0.05 -0.04 7.03 7.09 3dm0A1 ASN 1027 HD22 0.06 0.10 0.07 -0.04 7.74 7.92 3dm0A1 ALA 1028 H 0.04 -0.11 -0.37 -0.55 8.40 7.41 3dm0A1 ALA 1028 HA 0.03 0.14 0.40 -0.75 4.34 4.16 3dm0A1 ALA 1028 HB3 0.02 -0.01 0.04 -0.04 1.41 1.42 3dm0A1 ASP 1029 H 0.02 0.13 0.13 -0.55 8.40 8.12 3dm0A1 ASP 1029 HA 0.04 0.18 0.63 -0.75 4.63 4.74 3dm0A1 ASP 1029 HB2 0.01 -0.04 0.23 -0.04 2.71 2.87 3dm0A1 ASP 1029 HB3 0.00 0.06 0.31 -0.04 2.70 3.03 3dm0A1 ILE 1030 H 0.02 0.60 -0.13 -0.55 8.25 8.19 3dm0A1 ILE 1030 HA 0.04 0.11 0.68 -0.75 4.18 4.25 3dm0A1 ILE 1030 HB 0.02 0.04 0.10 -0.04 1.89 2.01 3dm0A1 ILE 1030 HG12 0.00 0.01 -0.13 -0.04 1.49 1.34 3dm0A1 ILE 1030 HG13 0.01 -0.13 -0.19 -0.04 1.21 0.86 3dm0A1 ILE 1030 HG23 0.01 -0.02 -0.09 -0.04 0.93 0.79 3dm0A1 ILE 1030 HD13 0.01 -0.01 -0.26 -0.04 0.88 0.58 3dm0A1 ILE 1031 H 0.07 0.33 0.30 -0.55 8.25 8.41 3dm0A1 ILE 1031 HA -0.05 0.22 0.83 -0.75 4.18 4.42 3dm0A1 ILE 1031 HB -0.25 0.11 0.11 -0.04 1.89 1.82 3dm0A1 ILE 1031 HG12 -0.19 -0.05 -0.15 -0.04 1.49 1.05 3dm0A1 ILE 1031 HG13 0.11 -0.03 -0.51 -0.04 1.21 0.73 3dm0A1 ILE 1031 HG23 -0.77 -0.01 -0.21 -0.04 0.93 -0.11 3dm0A1 ILE 1031 HD13 -0.61 -0.00 -0.23 -0.04 0.88 -0.01 3dm0A1 VAL 1032 H 0.03 0.60 0.32 -0.55 8.24 8.63 3dm0A1 VAL 1032 HA 0.15 0.41 1.11 -0.75 4.13 5.05 3dm0A1 VAL 1032 HB 0.05 -0.06 -0.04 -0.04 2.12 2.03 3dm0A1 VAL 1032 HG13 -0.01 -0.01 -0.27 -0.04 0.97 0.63 3dm0A1 VAL 1032 HG23 0.01 -0.01 -0.27 -0.04 0.95 0.64 3dm0A1 SER 1033 H 0.20 0.38 0.31 -0.55 8.46 8.81 3dm0A1 SER 1033 HA 0.13 0.34 1.10 -0.75 4.49 5.31 3dm0A1 SER 1033 HB2 0.35 0.06 0.04 -0.04 3.95 4.36 3dm0A1 SER 1033 HB3 0.30 -0.00 -0.11 -0.04 3.93 4.08 3dm0A1 ALA 1034 H 0.05 0.61 0.32 -0.55 8.40 8.83 3dm0A1 ALA 1034 HA -0.02 0.22 0.93 -0.75 4.34 4.71 3dm0A1 ALA 1034 HB3 0.00 -0.00 -0.28 -0.04 1.41 1.09 3dm0A1 SER 1035 H -0.14 0.45 0.33 -0.55 8.46 8.55 3dm0A1 SER 1035 HA -0.29 0.13 1.13 -0.75 4.49 4.72 3dm0A1 SER 1035 HB2 -1.41 0.06 -0.14 -0.04 3.95 2.42 3dm0A1 SER 1035 HB3 -0.61 -0.01 0.01 -0.04 3.93 3.28 3dm0A1 ARG 1036 H -0.28 0.72 0.21 -0.55 8.46 8.56 3dm0A1 ARG 1036 HA -0.24 0.01 0.67 -0.75 4.34 4.02 3dm0A1 ARG 1036 HB2 -0.47 -0.03 0.10 -0.04 1.90 1.47 3dm0A1 ARG 1036 HB3 -1.16 0.02 0.16 -0.04 1.80 0.78 3dm0A1 ARG 1036 HG2 -0.96 -0.01 0.02 -0.04 1.67 0.68 3dm0A1 ARG 1036 HG3 -0.47 0.08 0.02 -0.04 1.67 1.25 3dm0A1 ARG 1036 HD2 -0.58 -0.02 0.06 -0.04 3.22 2.64 3dm0A1 ARG 1036 HD3 -1.68 -0.01 0.06 -0.04 3.22 1.55 3dm0A1 ASP 1037 H -0.12 0.07 -0.44 -0.55 8.40 7.37 3dm0A1 ASP 1037 HA 0.01 0.20 0.44 -0.75 4.63 4.54 3dm0A1 ASP 1037 HB2 0.04 0.12 0.09 -0.04 2.71 2.91 3dm0A1 ASP 1037 HB3 0.01 -0.09 -0.01 -0.04 2.70 2.57 3dm0A1 LYS 1038 H 0.02 0.06 -0.76 -0.55 8.42 7.20 3dm0A1 LYS 1038 HA 0.10 -0.03 0.21 -0.75 4.32 3.85 3dm0A1 LYS 1038 HB2 0.06 0.20 0.18 -0.04 1.87 2.27 3dm0A1 LYS 1038 HB3 0.11 0.05 0.05 -0.04 1.79 1.95 3dm0A1 LYS 1038 HG2 0.11 -0.15 -0.69 -0.04 1.46 0.69 3dm0A1 LYS 1038 HG3 0.08 0.04 -0.63 -0.04 1.46 0.91 3dm0A1 LYS 1038 HD2 0.03 0.05 -0.17 -0.04 1.69 1.56 3dm0A1 LYS 1038 HD3 0.00 -0.08 -0.63 -0.04 1.68 0.93 3dm0A1 LYS 1038 HE2 -0.00 0.01 -0.14 -0.04 2.99 2.82 3dm0A1 LYS 1038 HE3 -0.06 0.02 -0.11 -0.04 2.99 2.80 3dm0A1 SER 1039 H 0.03 -0.01 -0.15 -0.55 8.46 7.78 3dm0A1 SER 1039 HA -0.01 0.27 1.03 -0.75 4.49 5.02 3dm0A1 SER 1039 HB2 -0.08 0.15 -0.04 -0.04 3.95 3.94 3dm0A1 SER 1039 HB3 0.01 0.03 -0.27 -0.04 3.93 3.65 3dm0A1 ILE 1040 H -0.28 0.53 0.33 -0.55 8.25 8.29 3dm0A1 ILE 1040 HA -0.00 0.29 1.01 -0.75 4.18 4.73 3dm0A1 ILE 1040 HB -0.18 0.08 0.05 -0.04 1.89 1.80 3dm0A1 ILE 1040 HG12 -0.96 0.04 0.01 -0.04 1.49 0.53 3dm0A1 ILE 1040 HG13 -0.45 -0.00 -0.40 -0.04 1.21 0.32 3dm0A1 ILE 1040 HG23 -0.20 -0.03 -0.17 -0.04 0.93 0.48 3dm0A1 ILE 1040 HD13 -0.85 -0.01 -0.22 -0.04 0.88 -0.24 3dm0A1 ILE 1041 H 0.00 0.34 0.25 -0.55 8.25 8.30 3dm0A1 ILE 1041 HA -0.34 0.34 1.15 -0.75 4.18 4.57 3dm0A1 ILE 1041 HB -0.45 -0.08 -0.05 -0.04 1.89 1.27 3dm0A1 ILE 1041 HG12 -0.47 0.06 -0.12 -0.04 1.49 0.92 3dm0A1 ILE 1041 HG13 -0.27 -0.06 -0.65 -0.04 1.21 0.20 3dm0A1 ILE 1041 HG23 -1.50 -0.01 -0.39 -0.04 0.93 -1.00 3dm0A1 ILE 1041 HD13 -0.92 -0.00 -0.24 -0.04 0.88 -0.33 3dm0A1 LEU 1042 H -0.33 0.68 0.27 -0.55 8.37 8.44 3dm0A1 LEU 1042 HA -0.08 0.17 0.83 -0.75 4.35 4.51 3dm0A1 LEU 1042 HB2 -0.13 -0.02 0.03 -0.04 1.64 1.48 3dm0A1 LEU 1042 HB3 -0.17 -0.03 0.20 -0.04 1.64 1.59 3dm0A1 LEU 1042 HG -0.06 -0.01 -0.28 -0.04 1.64 1.25 3dm0A1 LEU 1042 HD13 -0.03 0.02 -0.07 -0.04 0.93 0.81 3dm0A1 LEU 1042 HD23 -0.07 0.00 -0.12 -0.04 0.89 0.65 3dm0A1 TRP 1043 H 0.20 0.78 0.32 -0.55 7.97 8.72 3dm0A1 TRP 1043 HA -0.07 0.16 0.92 -0.75 4.62 4.88 3dm0A1 TRP 1043 HB2 -0.09 -0.06 -0.01 -0.04 3.23 3.02 3dm0A1 TRP 1043 HB3 -0.04 -0.01 -0.24 -0.04 3.23 2.90 3dm0A1 TRP 1043 HD1 -0.08 0.10 -0.28 -0.04 7.22 6.92 3dm0A1 TRP 1043 HE1 -0.05 -0.05 -0.17 -0.04 10.20 9.88 3dm0A1 TRP 1043 HE3 -0.04 -0.02 -0.68 -0.04 7.59 6.81 3dm0A1 TRP 1043 HZ2 -0.23 -0.05 -0.22 -0.04 7.44 6.90 3dm0A1 TRP 1043 HZ3 -0.05 0.12 -0.17 -0.04 7.13 6.98 3dm0A1 TRP 1043 HH2 -0.10 -0.06 -0.82 -0.04 7.19 6.17 3dm0A1 LYS 1044 H 0.14 0.62 0.32 -0.55 8.42 8.95 3dm0A1 LYS 1044 HA 0.05 0.24 0.90 -0.75 4.32 4.75 3dm0A1 LEU 1045 H 0.04 0.58 0.10 -0.55 8.37 8.54 3dm0A1 LEU 1045 HA 0.02 0.02 0.61 -0.75 4.35 4.25 3dm0A1 LEU 1045 HB2 -0.00 0.02 0.12 -0.04 1.64 1.73 3dm0A1 LEU 1045 HB3 -0.11 0.06 -0.04 -0.04 1.64 1.52 3dm0A1 LEU 1045 HG 0.04 -0.04 -0.38 -0.04 1.64 1.22 3dm0A1 LEU 1045 HD13 0.14 -0.01 -0.11 -0.04 0.93 0.91 3dm0A1 LEU 1045 HD23 0.19 -0.02 -0.24 -0.04 0.89 0.78 3dm0A1 THR 1046 H -0.03 0.09 0.25 -0.55 8.28 8.04 3dm0A1 THR 1046 HA -0.05 0.15 0.69 -0.75 4.39 4.43 3dm0A1 THR 1046 HB -0.03 -0.08 0.02 -0.04 4.32 4.19 3dm0A1 THR 1046 HG23 0.00 0.03 -0.04 -0.04 1.22 1.17 3dm0A1 LYS 1047 H -0.16 0.22 0.01 -0.55 8.42 7.93 3dm0A1 LYS 1047 HA -0.25 -0.05 0.31 -0.75 4.32 3.57 3dm0A1 LYS 1047 HB2 -0.16 0.26 0.11 -0.04 1.87 2.04 3dm0A1 LYS 1047 HB3 -0.18 -0.04 0.03 -0.04 1.79 1.56 3dm0A1 LYS 1047 HG2 -1.04 -0.05 -0.09 -0.04 1.46 0.25 3dm0A1 LYS 1047 HG3 -0.47 -0.04 -0.53 -0.04 1.46 0.38 3dm0A1 LYS 1047 HD2 -0.15 0.07 -0.16 -0.04 1.69 1.42 3dm0A1 LYS 1047 HD3 -0.16 -0.02 -0.10 -0.04 1.68 1.36 3dm0A1 LYS 1047 HE2 -0.21 -0.06 -0.11 -0.04 2.99 2.57 3dm0A1 LYS 1047 HE3 -0.18 0.02 -0.15 -0.04 2.99 2.64 3dm0A1 ASP 1048 H -0.06 0.00 -1.04 -0.55 8.40 6.75 3dm0A1 ASP 1048 HA -0.04 0.03 0.32 -0.75 4.63 4.19 3dm0A1 ASP 1049 H -0.03 0.09 0.12 -0.55 8.40 8.04 3dm0A1 ASP 1049 HA -0.02 0.10 0.28 -0.75 4.63 4.23 3dm0A1 LYS 1050 H -0.02 -0.10 -0.60 -0.55 8.42 7.15 3dm0A1 LYS 1050 HA -0.01 -0.01 0.36 -0.75 4.32 3.90 3dm0A1 ALA 1051 H 0.00 0.24 0.04 -0.55 8.40 8.13 3dm0A1 ALA 1051 HA 0.01 0.18 0.63 -0.75 4.34 4.41 3dm0A1 ALA 1051 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 3dm0A1 TYR 1052 H 0.10 0.21 0.13 -0.55 8.29 8.19 3dm0A1 TYR 1052 HA -0.02 0.13 0.43 -0.75 4.56 4.35 3dm0A1 TYR 1052 HB2 -0.09 0.01 -0.02 -0.04 3.06 2.92 3dm0A1 TYR 1052 HB3 -0.07 -0.03 -0.18 -0.04 2.98 2.65 3dm0A1 TYR 1052 HD2 0.04 0.07 -0.22 -0.04 7.15 7.00 3dm0A1 TYR 1052 HE2 0.18 0.03 -0.14 -0.04 6.85 6.88 3dm0A1 GLY 1053 H 0.09 0.26 -0.13 -0.55 8.43 8.11 3dm0A1 GLY 1053 HA2 0.08 -0.03 0.67 -0.51 4.01 4.22 3dm0A1 GLY 1053 HA3 0.16 0.01 0.14 -0.51 4.01 3.82 3dm0A1 VAL 1054 H 0.21 0.55 0.29 -0.55 8.24 8.74 3dm0A1 VAL 1054 HA 0.31 0.20 0.98 -0.75 4.13 4.88 3dm0A1 VAL 1054 HB 0.03 0.07 -0.02 -0.04 2.12 2.16 3dm0A1 VAL 1054 HG13 0.06 -0.00 -0.17 -0.04 0.97 0.82 3dm0A1 VAL 1054 HG23 0.02 0.02 -0.04 -0.04 0.95 0.92 3dm0A1 ALA 1055 H -0.12 0.22 0.08 -0.55 8.40 8.03 3dm0A1 ALA 1055 HA -0.99 0.04 0.36 -0.75 4.34 2.99 3dm0A1 ALA 1055 HB3 -0.59 0.01 0.03 -0.04 1.41 0.82 3dm0A1 GLN 1056 H -0.27 0.47 0.53 -0.55 8.47 8.66 3dm0A1 GLN 1056 HA -0.11 0.06 0.48 -0.75 4.36 4.03 3dm0A1 GLN 1056 HB2 -0.07 -0.06 0.09 -0.04 2.15 2.07 3dm0A1 GLN 1056 HB3 -0.11 0.02 -0.00 -0.04 2.02 1.89 3dm0A1 GLN 1056 HG2 -0.07 0.02 0.00 -0.04 2.40 2.31 3dm0A1 GLN 1056 HG3 -0.05 -0.02 0.05 -0.04 2.39 2.32 3dm0A1 GLN 1056 HE21 -0.04 -0.03 -0.05 -0.04 6.97 6.81 3dm0A1 GLN 1056 HE22 -0.05 0.03 -0.04 -0.04 7.69 7.59 3dm0A1 ARG 1057 H -0.29 0.20 0.01 -0.55 8.46 7.83 3dm0A1 ARG 1057 HA -0.15 0.11 0.50 -0.75 4.34 4.04 3dm0A1 ARG 1057 HB2 -0.11 0.14 -0.31 -0.04 1.90 1.58 3dm0A1 ARG 1057 HB3 -0.14 -0.12 -0.01 -0.04 1.80 1.49 3dm0A1 ARG 1057 HG2 -0.10 -0.00 -0.21 -0.04 1.67 1.32 3dm0A1 ARG 1057 HG3 -0.08 0.02 0.09 -0.04 1.67 1.66 3dm0A1 ARG 1057 HD2 -0.06 0.09 -0.03 -0.04 3.22 3.18 3dm0A1 ARG 1057 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.07 3dm0A1 ARG 1058 H -0.16 0.24 0.11 -0.55 8.46 8.10 3dm0A1 ARG 1058 HA -0.26 0.14 0.92 -0.75 4.34 4.39 3dm0A1 ARG 1058 HB2 -0.21 -0.02 -0.01 -0.04 1.90 1.61 3dm0A1 ARG 1058 HB3 -0.13 0.02 0.09 -0.04 1.80 1.74 3dm0A1 ARG 1058 HG2 -0.12 0.03 -0.27 -0.04 1.67 1.28 3dm0A1 ARG 1058 HG3 -0.17 -0.05 -0.11 -0.04 1.67 1.31 3dm0A1 ARG 1058 HD2 -0.08 0.02 -0.09 -0.04 3.22 3.03 3dm0A1 ARG 1058 HD3 -0.05 -0.00 -0.15 -0.04 3.22 2.98 3dm0A1 LEU 1059 H -0.27 0.65 0.28 -0.55 8.37 8.48 3dm0A1 LEU 1059 HA -0.09 0.25 0.92 -0.75 4.35 4.68 3dm0A1 LEU 1059 HB2 -0.88 -0.12 0.05 -0.04 1.64 0.65 3dm0A1 LEU 1059 HB3 -0.53 0.03 -0.14 -0.04 1.64 0.95 3dm0A1 LEU 1059 HG -0.26 0.01 -0.32 -0.04 1.64 1.03 3dm0A1 LEU 1059 HD13 -0.29 -0.03 -0.26 -0.04 0.93 0.31 3dm0A1 LEU 1059 HD23 0.01 0.06 -0.28 -0.04 0.89 0.64 3dm0A1 THR 1060 H 0.06 0.27 0.16 -0.55 8.28 8.22 3dm0A1 THR 1060 HA 0.05 0.21 1.02 -0.75 4.39 4.92 3dm0A1 THR 1060 HB 0.06 0.04 0.05 -0.04 4.32 4.43 3dm0A1 THR 1060 HG23 -0.01 0.00 -0.22 -0.04 1.22 0.95 3dm0A1 GLY 1061 H 0.18 0.27 0.17 -0.55 8.43 8.50 3dm0A1 GLY 1061 HA2 0.08 0.06 0.35 -0.51 4.01 3.99 3dm0A1 GLY 1061 HA3 0.14 0.03 0.37 -0.51 4.01 4.05 3dm0A1 HIS 1062 H 0.23 0.13 0.12 -0.55 8.41 8.33 3dm0A1 HIS 1062 HA 0.10 0.05 0.49 -0.75 4.63 4.51 3dm0A1 HIS 1062 HB2 0.15 0.17 0.08 -0.04 3.26 3.63 3dm0A1 HIS 1062 HB3 0.12 -0.11 0.00 -0.04 3.20 3.17 3dm0A1 HIS 1062 HD2 0.29 0.04 -0.16 -0.04 6.97 7.09 3dm0A1 HIS 1062 HE1 0.04 0.01 -0.51 -0.04 7.75 7.25 3dm0A1 SER 1063 H 0.18 0.07 0.13 -0.55 8.46 8.29 3dm0A1 SER 1063 HA 0.06 0.25 0.75 -0.75 4.49 4.79 3dm0A1 SER 1063 HB2 0.01 0.01 0.16 -0.04 3.95 4.09 3dm0A1 SER 1063 HB3 0.04 0.06 0.05 -0.04 3.93 4.04 3dm0A1 HIS 1064 H 0.16 0.11 -0.21 -0.55 8.41 7.92 3dm0A1 HIS 1064 HA -0.19 0.23 0.57 -0.75 4.63 4.48 3dm0A1 HIS 1064 HB2 -0.05 0.05 -0.43 -0.04 3.26 2.78 3dm0A1 HIS 1064 HB3 -0.04 -0.18 -0.27 -0.04 3.20 2.66 3dm0A1 HIS 1064 HD2 -0.05 0.07 -0.04 -0.04 6.97 6.90 3dm0A1 HIS 1064 HE1 -1.87 0.03 0.07 -0.04 7.75 5.94 3dm0A1 PHE 1065 H 0.15 0.14 0.11 -0.55 8.34 8.20 3dm0A1 PHE 1065 HA -0.15 0.07 0.40 -0.75 4.62 4.18 3dm0A1 PHE 1065 HB2 -1.30 -0.09 0.03 -0.04 3.15 1.75 3dm0A1 PHE 1065 HB3 -0.56 0.09 0.00 -0.04 3.06 2.55 3dm0A1 PHE 1065 HD2 -1.67 0.11 0.10 -0.04 7.28 5.78 3dm0A1 PHE 1065 HE2 -0.38 0.04 0.05 -0.04 7.38 7.05 3dm0A1 PHE 1065 HZ -0.11 0.02 0.04 -0.04 7.32 7.24 3dm0A1 VAL 1066 H 0.00 0.39 0.31 -0.55 8.24 8.40 3dm0A1 VAL 1066 HA -0.07 0.03 0.67 -0.75 4.13 4.00 3dm0A1 VAL 1066 HB -0.01 -0.07 0.14 -0.04 2.12 2.14 3dm0A1 VAL 1066 HG13 0.07 -0.02 -0.16 -0.04 0.97 0.82 3dm0A1 VAL 1066 HG23 0.18 -0.04 -0.23 -0.04 0.95 0.81 3dm0A1 GLU 1067 H 0.02 0.66 0.46 -0.55 8.60 9.20 3dm0A1 GLU 1067 HA 0.03 0.11 0.74 -0.75 4.29 4.42 3dm0A1 GLU 1067 HB2 0.41 -0.13 0.01 -0.04 2.09 2.33 3dm0A1 GLU 1067 HB3 0.14 0.11 0.05 -0.04 1.99 2.25 3dm0A1 GLU 1067 HG2 0.18 -0.05 0.10 -0.04 2.34 2.54 3dm0A1 GLU 1067 HG3 0.13 0.14 0.01 -0.04 2.34 2.57 3dm0A1 ASP 1068 H 0.03 0.27 0.19 -0.55 8.40 8.34 3dm0A1 ASP 1068 HA 0.05 0.13 0.64 -0.75 4.63 4.69 3dm0A1 ASP 1068 HB2 0.05 0.30 -0.32 -0.04 2.71 2.70 3dm0A1 ASP 1068 HB3 0.03 -0.16 -0.11 -0.04 2.70 2.41 3dm0A1 VAL 1069 H 0.06 0.30 0.13 -0.55 8.24 8.17 3dm0A1 VAL 1069 HA 0.07 0.30 0.83 -0.75 4.13 4.58 3dm0A1 VAL 1069 HB 0.04 -0.03 -0.34 -0.04 2.12 1.75 3dm0A1 VAL 1069 HG13 0.06 -0.03 -0.49 -0.04 0.97 0.46 3dm0A1 VAL 1069 HG23 0.05 0.01 -0.22 -0.04 0.95 0.75 3dm0A1 VAL 1070 H 0.11 0.43 0.28 -0.55 8.24 8.51 3dm0A1 VAL 1070 HA 0.13 0.13 0.80 -0.75 4.13 4.44 3dm0A1 VAL 1070 HB 0.06 -0.00 -0.06 -0.04 2.12 2.07 3dm0A1 VAL 1070 HG13 0.34 -0.05 -0.06 -0.04 0.97 1.16 3dm0A1 VAL 1070 HG23 0.12 0.02 -0.04 -0.04 0.95 1.01 3dm0A1 LEU 1071 H 0.18 0.19 0.18 -0.55 8.37 8.37 3dm0A1 LEU 1071 HA 0.23 0.29 1.10 -0.75 4.35 5.21 3dm0A1 LEU 1071 HB2 0.11 0.03 0.00 -0.04 1.64 1.74 3dm0A1 LEU 1071 HB3 0.10 0.02 0.07 -0.04 1.64 1.78 3dm0A1 LEU 1071 HG 0.09 -0.09 -0.27 -0.04 1.64 1.33 3dm0A1 LEU 1071 HD13 0.05 0.00 -0.32 -0.04 0.93 0.62 3dm0A1 LEU 1071 HD23 0.08 0.01 -0.20 -0.04 0.89 0.74 3dm0A1 SER 1072 H 0.16 0.36 0.29 -0.55 8.46 8.72 3dm0A1 SER 1072 HA -0.52 0.21 0.64 -0.75 4.49 4.06 3dm0A1 SER 1072 HB2 -0.19 0.01 0.17 -0.04 3.95 3.90 3dm0A1 SER 1072 HB3 -0.04 0.13 0.07 -0.04 3.93 4.04 3dm0A1 SER 1073 H -0.21 0.22 0.17 -0.55 8.46 8.09 3dm0A1 SER 1073 HA -0.03 0.12 0.44 -0.75 4.49 4.27 3dm0A1 SER 1073 HB2 -0.06 -0.06 0.12 -0.04 3.95 3.90 3dm0A1 SER 1073 HB3 -0.03 0.06 0.06 -0.04 3.93 3.98 3dm0A1 ASP 1074 H -0.00 0.05 -0.11 -0.55 8.40 7.79 3dm0A1 ASP 1074 HA 0.02 0.15 0.37 -0.75 4.63 4.42 3dm0A1 ASP 1074 HB2 0.13 -0.26 0.07 -0.04 2.71 2.61 3dm0A1 ASP 1074 HB3 0.05 0.10 -0.00 -0.04 2.70 2.81 3dm0A1 GLY 1075 H 0.04 0.16 -0.53 -0.55 8.43 7.55 3dm0A1 GLY 1075 HA2 0.04 0.05 0.28 -0.51 4.01 3.86 3dm0A1 GLY 1075 HA3 0.02 0.12 0.54 -0.51 4.01 4.18 3dm0A1 GLN 1076 H 0.04 -0.13 -0.30 -0.55 8.47 7.53 3dm0A1 GLN 1076 HA -0.16 0.23 0.65 -0.75 4.36 4.34 3dm0A1 GLN 1076 HB2 -0.01 -0.07 -0.01 -0.04 2.15 2.02 3dm0A1 GLN 1076 HB3 -0.52 -0.02 0.05 -0.04 2.02 1.49 3dm0A1 GLN 1076 HG2 -0.02 0.09 -0.22 -0.04 2.40 2.21 3dm0A1 GLN 1076 HG3 -0.02 0.02 -0.03 -0.04 2.39 2.31 3dm0A1 GLN 1076 HE21 -0.05 0.01 -0.08 -0.04 6.97 6.81 3dm0A1 GLN 1076 HE22 -0.03 0.15 -0.20 -0.04 7.69 7.57 3dm0A1 PHE 1077 H 0.17 -0.03 0.05 -0.55 8.34 7.98 3dm0A1 PHE 1077 HA 0.14 0.24 1.08 -0.75 4.62 5.33 3dm0A1 PHE 1077 HB2 0.11 -0.14 0.03 -0.04 3.15 3.11 3dm0A1 PHE 1077 HB3 0.20 0.10 0.06 -0.04 3.06 3.38 3dm0A1 PHE 1077 HD2 0.07 0.01 -0.16 -0.04 7.28 7.15 3dm0A1 PHE 1077 HE2 0.04 0.01 -0.05 -0.04 7.38 7.33 3dm0A1 PHE 1077 HZ 0.03 0.04 -0.03 -0.04 7.32 7.32 3dm0A1 ALA 1078 H 0.42 0.39 0.30 -0.55 8.40 8.96 3dm0A1 ALA 1078 HA 0.28 0.38 1.07 -0.75 4.34 5.32 3dm0A1 ALA 1078 HB3 0.12 -0.01 -0.09 -0.04 1.41 1.39 3dm0A1 LEU 1079 H 0.22 0.65 0.30 -0.55 8.37 8.99 3dm0A1 LEU 1079 HA 0.11 0.32 0.99 -0.75 4.35 5.01 3dm0A1 LEU 1079 HB2 -0.43 -0.02 -0.14 -0.04 1.64 1.01 3dm0A1 LEU 1079 HB3 -0.26 -0.04 -0.00 -0.04 1.64 1.29 3dm0A1 LEU 1079 HG -0.30 0.01 -0.39 -0.04 1.64 0.91 3dm0A1 LEU 1079 HD13 -0.60 0.04 -0.17 -0.04 0.93 0.16 3dm0A1 LEU 1079 HD23 -0.84 -0.02 -0.25 -0.04 0.89 -0.26 3dm0A1 SER 1080 H 0.23 0.61 0.30 -0.55 8.46 9.05 3dm0A1 SER 1080 HA 0.12 0.33 1.15 -0.75 4.49 5.33 3dm0A1 SER 1080 HB2 0.31 0.03 0.03 -0.04 3.95 4.28 3dm0A1 SER 1080 HB3 0.37 -0.04 -0.14 -0.04 3.93 4.08 3dm0A1 GLY 1081 H 0.05 0.57 0.29 -0.55 8.43 8.79 3dm0A1 GLY 1081 HA2 -0.06 0.25 0.93 -0.51 4.01 4.62 3dm0A1 GLY 1081 HA3 -0.04 0.02 0.17 -0.51 4.01 3.64 3dm0A1 SER 1082 H -0.19 0.51 0.31 -0.55 8.46 8.54 3dm0A1 SER 1082 HA 0.00 0.17 1.18 -0.75 4.49 5.08 3dm0A1 SER 1082 HB2 -0.15 0.55 -0.03 -0.04 3.95 4.28 3dm0A1 SER 1082 HB3 -0.75 -0.05 -0.16 -0.04 3.93 2.93 3dm0A1 TRP 1083 H 0.17 0.66 0.22 -0.55 7.97 8.46 3dm0A1 TRP 1083 HA -0.29 -0.05 0.53 -0.75 4.62 4.06 3dm0A1 TRP 1083 HB2 -0.93 -0.04 0.12 -0.04 3.23 2.34 3dm0A1 TRP 1083 HB3 -0.83 0.02 0.21 -0.04 3.23 2.59 3dm0A1 TRP 1083 HD1 -0.17 -0.00 -0.02 -0.04 7.22 6.99 3dm0A1 TRP 1083 HE1 -0.08 0.09 -0.03 -0.04 10.20 10.14 3dm0A1 TRP 1083 HE3 -0.58 -0.01 0.06 -0.04 7.59 7.02 3dm0A1 TRP 1083 HZ2 -0.01 0.06 0.00 -0.04 7.44 7.44 3dm0A1 TRP 1083 HZ3 0.08 0.02 0.04 -0.04 7.13 7.22 3dm0A1 TRP 1083 HH2 0.08 0.02 0.02 -0.04 7.19 7.27 3dm0A1 ASP 1084 H 0.02 0.06 -0.81 -0.55 8.40 7.12 3dm0A1 ASP 1084 HA 0.10 0.24 0.62 -0.75 4.63 4.84 3dm0A1 ASP 1084 HB2 0.10 0.12 0.09 -0.04 2.71 2.98 3dm0A1 ASP 1084 HB3 0.14 -0.08 -0.08 -0.04 2.70 2.65 3dm0A1 GLY 1085 H -0.02 0.14 -0.31 -0.55 8.43 7.70 3dm0A1 GLY 1085 HA2 -0.03 0.13 0.12 -0.51 4.01 3.71 3dm0A1 GLY 1085 HA3 0.03 0.14 0.20 -0.51 4.01 3.87 3dm0A1 GLU 1086 H 0.04 -0.05 -0.30 -0.55 8.60 7.74 3dm0A1 GLU 1086 HA 0.09 0.38 1.14 -0.75 4.29 5.14 3dm0A1 GLU 1086 HB2 0.15 -0.07 -0.13 -0.04 2.09 1.99 3dm0A1 GLU 1086 HB3 0.07 0.01 0.00 -0.04 1.99 2.03 3dm0A1 GLU 1086 HG2 0.08 0.09 -0.35 -0.04 2.34 2.12 3dm0A1 GLU 1086 HG3 0.09 0.02 -0.25 -0.04 2.34 2.16 3dm0A1 LEU 1087 H -0.04 0.29 0.32 -0.55 8.37 8.40 3dm0A1 LEU 1087 HA -0.03 0.30 1.07 -0.75 4.35 4.94 3dm0A1 LEU 1087 HB2 -0.64 -0.08 0.07 -0.04 1.64 0.95 3dm0A1 LEU 1087 HB3 -0.65 0.04 -0.00 -0.04 1.64 0.98 3dm0A1 LEU 1087 HG -0.24 0.04 -0.06 -0.04 1.64 1.34 3dm0A1 LEU 1087 HD13 -0.07 -0.02 -0.21 -0.04 0.93 0.58 3dm0A1 LEU 1087 HD23 -0.80 -0.01 -0.19 -0.04 0.89 -0.15 3dm0A1 ARG 1088 H 0.01 0.43 0.26 -0.55 8.46 8.61 3dm0A1 ARG 1088 HA -0.16 0.51 1.04 -0.75 4.34 4.97 3dm0A1 ARG 1088 HB2 -0.23 -0.09 -0.09 -0.04 1.90 1.45 3dm0A1 ARG 1088 HB3 -1.35 0.03 -0.13 -0.04 1.80 0.31 3dm0A1 ARG 1088 HG2 -0.46 0.06 -0.09 -0.04 1.67 1.14 3dm0A1 ARG 1088 HG3 -0.20 -0.01 -0.39 -0.04 1.67 1.03 3dm0A1 ARG 1088 HD2 -1.11 -0.08 -0.25 -0.04 3.22 1.73 3dm0A1 ARG 1088 HD3 -1.06 0.02 -0.19 -0.04 3.22 1.95 3dm0A1 LEU 1089 H -0.18 0.46 0.30 -0.55 8.37 8.40 3dm0A1 LEU 1089 HA 0.04 0.21 0.88 -0.75 4.35 4.73 3dm0A1 LEU 1089 HB2 0.06 0.02 0.08 -0.04 1.64 1.76 3dm0A1 LEU 1089 HB3 0.05 -0.02 -0.09 -0.04 1.64 1.54 3dm0A1 LEU 1089 HG 0.06 -0.02 -0.11 -0.04 1.64 1.53 3dm0A1 LEU 1089 HD13 0.14 0.01 -0.05 -0.04 0.93 0.99 3dm0A1 LEU 1089 HD23 0.21 0.02 -0.07 -0.04 0.89 1.01 3dm0A1 TRP 1090 H 0.43 0.64 0.35 -0.55 7.97 8.83 3dm0A1 TRP 1090 HA 0.10 0.21 1.11 -0.75 4.62 5.29 3dm0A1 TRP 1090 HB2 0.09 -0.17 -0.00 -0.04 3.23 3.11 3dm0A1 TRP 1090 HB3 0.04 0.09 -0.26 -0.04 3.23 3.06 3dm0A1 TRP 1090 HD1 0.06 0.17 -0.45 -0.04 7.22 6.95 3dm0A1 TRP 1090 HE1 0.05 -0.07 -0.19 -0.04 10.20 9.95 3dm0A1 TRP 1090 HE3 -0.01 0.05 -0.51 -0.04 7.59 7.09 3dm0A1 TRP 1090 HZ2 -0.27 -0.05 -0.22 -0.04 7.44 6.85 3dm0A1 TRP 1090 HZ3 -0.05 0.20 -0.24 -0.04 7.13 6.99 3dm0A1 TRP 1090 HH2 -0.14 -0.09 -0.59 -0.04 7.19 6.33 3dm0A1 ASP 1091 H 0.28 0.80 0.18 -0.55 8.40 9.11 3dm0A1 ASP 1091 HA -0.02 0.15 0.82 -0.75 4.63 4.83 3dm0A1 ASP 1091 HB2 0.33 0.06 0.06 -0.04 2.71 3.12 3dm0A1 ASP 1091 HB3 0.14 0.01 0.20 -0.04 2.70 3.01 3dm0A1 LEU 1092 H -0.12 0.44 0.13 -0.55 8.37 8.27 3dm0A1 LEU 1092 HA -0.00 0.04 0.22 -0.75 4.35 3.85 3dm0A1 LEU 1092 HB2 -0.13 0.11 0.01 -0.04 1.64 1.59 3dm0A1 LEU 1092 HB3 -0.06 0.04 -0.09 -0.04 1.64 1.48 3dm0A1 LEU 1092 HG 0.04 -0.04 -0.17 -0.04 1.64 1.44 3dm0A1 LEU 1092 HD13 0.01 0.01 -0.41 -0.04 0.93 0.49 3dm0A1 LEU 1092 HD23 -0.02 -0.01 -0.21 -0.04 0.89 0.61 3dm0A1 ALA 1093 H -0.16 0.10 -0.15 -0.55 8.40 7.64 3dm0A1 ALA 1093 HA -0.06 0.13 0.41 -0.75 4.34 4.07 3dm0A1 ALA 1093 HB3 -0.08 -0.00 0.05 -0.04 1.41 1.33 3dm0A1 ALA 1094 H -0.02 0.02 -0.13 -0.55 8.40 7.72 3dm0A1 ALA 1094 HA -0.00 0.14 0.51 -0.75 4.34 4.24 3dm0A1 ALA 1094 HB3 0.03 -0.01 0.07 -0.04 1.41 1.46 3dm0A1 GLY 1095 H 0.02 0.22 -0.53 -0.55 8.43 7.59 3dm0A1 GLY 1095 HA2 0.04 -0.00 0.17 -0.51 4.01 3.70 3dm0A1 GLY 1095 HA3 0.02 0.08 0.35 -0.51 4.01 3.94 3dm0A1 VAL 1096 H 0.13 0.13 -0.17 -0.55 8.24 7.77 3dm0A1 VAL 1096 HA 0.18 0.28 1.07 -0.75 4.13 4.92 3dm0A1 VAL 1096 HB 0.04 0.04 0.06 -0.04 2.12 2.22 3dm0A1 VAL 1096 HG13 0.05 0.06 -0.21 -0.04 0.97 0.83 3dm0A1 VAL 1096 HG23 0.06 -0.03 -0.23 -0.04 0.95 0.71 3dm0A1 SER 1097 H 0.00 0.20 0.14 -0.55 8.46 8.27 3dm0A1 SER 1097 HA -0.62 0.11 0.62 -0.75 4.49 3.85 3dm0A1 SER 1097 HB2 -0.76 0.05 0.06 -0.04 3.95 3.25 3dm0A1 SER 1097 HB3 -0.36 0.02 0.06 -0.04 3.93 3.60 3dm0A1 THR 1098 H -0.20 0.76 0.32 -0.55 8.28 8.61 3dm0A1 THR 1098 HA -0.06 0.26 0.97 -0.75 4.39 4.80 3dm0A1 THR 1098 HB 0.00 0.01 0.08 -0.04 4.32 4.37 3dm0A1 THR 1098 HG23 0.12 0.00 -0.15 -0.04 1.22 1.15 3dm0A1 ARG 1099 H -0.23 0.14 0.06 -0.55 8.46 7.88 3dm0A1 ARG 1099 HA -0.13 0.10 0.47 -0.75 4.34 4.02 3dm0A1 ARG 1099 HB2 -0.08 0.21 -0.24 -0.04 1.90 1.75 3dm0A1 ARG 1099 HB3 0.07 -0.18 -0.09 -0.04 1.80 1.57 3dm0A1 ARG 1099 HG2 -0.58 -0.06 -0.28 -0.04 1.67 0.70 3dm0A1 ARG 1099 HG3 -0.41 0.17 -0.26 -0.04 1.67 1.13 3dm0A1 ARG 1099 HD2 -0.28 0.11 -0.35 -0.04 3.22 2.66 3dm0A1 ARG 1099 HD3 -0.17 -0.00 0.07 -0.04 3.22 3.08 3dm0A1 ARG 1100 H -0.15 0.21 0.14 -0.55 8.46 8.11 3dm0A1 ARG 1100 HA -0.03 0.31 0.96 -0.75 4.34 4.81 3dm0A1 ARG 1100 HB2 -0.08 0.00 0.09 -0.04 1.90 1.87 3dm0A1 ARG 1100 HB3 -0.04 0.00 -0.05 -0.04 1.80 1.68 3dm0A1 ARG 1100 HG2 -0.14 0.02 -0.08 -0.04 1.67 1.43 3dm0A1 ARG 1100 HG3 -0.13 -0.03 -0.11 -0.04 1.67 1.36 3dm0A1 ARG 1100 HD2 -0.02 -0.01 -0.07 -0.04 3.22 3.08 3dm0A1 ARG 1100 HD3 -0.07 0.03 -0.07 -0.04 3.22 3.07 3dm0A1 PHE 1101 H 0.11 0.50 0.23 -0.55 8.34 8.63 3dm0A1 PHE 1101 HA -0.32 0.25 0.83 -0.75 4.62 4.62 3dm0A1 PHE 1101 HB2 -0.76 -0.17 0.19 -0.04 3.15 2.37 3dm0A1 PHE 1101 HB3 -2.41 0.02 -0.06 -0.04 3.06 0.56 3dm0A1 PHE 1101 HD2 -0.98 0.05 -0.38 -0.04 7.28 5.93 3dm0A1 PHE 1101 HE2 -0.14 0.09 -0.21 -0.04 7.38 7.08 3dm0A1 PHE 1101 HZ -0.11 0.04 -0.14 -0.04 7.32 7.06 3dm0A1 VAL 1102 H 0.07 0.32 0.01 -0.55 8.24 8.09 3dm0A1 VAL 1102 HA 0.15 0.13 0.82 -0.75 4.13 4.48 3dm0A1 VAL 1102 HB 0.08 0.03 0.13 -0.04 2.12 2.32 3dm0A1 VAL 1102 HG13 0.07 0.02 -0.12 -0.04 0.97 0.89 3dm0A1 VAL 1102 HG23 0.02 -0.00 -0.14 -0.04 0.95 0.78 3dm0A1 GLY 1103 H 0.29 0.23 0.13 -0.55 8.43 8.53 3dm0A1 GLY 1103 HA2 0.08 0.10 0.54 -0.51 4.01 4.21 3dm0A1 GLY 1103 HA3 0.14 -0.04 0.22 -0.51 4.01 3.82 3dm0A1 HIS 1104 H 0.28 0.10 0.12 -0.55 8.41 8.37 3dm0A1 HIS 1104 HA 0.05 -0.01 0.38 -0.75 4.63 4.30 3dm0A1 HIS 1104 HB2 0.10 0.32 0.16 -0.04 3.26 3.80 3dm0A1 HIS 1104 HB3 0.02 -0.09 0.08 -0.04 3.20 3.17 3dm0A1 HIS 1104 HD2 0.30 0.06 -0.08 -0.04 6.97 7.20 3dm0A1 HIS 1104 HE1 0.04 0.08 -0.37 -0.04 7.75 7.45 3dm0A1 THR 1105 H 0.11 0.01 0.19 -0.55 8.28 8.04 3dm0A1 THR 1105 HA 0.04 0.28 0.89 -0.75 4.39 4.85 3dm0A1 THR 1105 HB 0.01 0.01 0.14 -0.04 4.32 4.44 3dm0A1 THR 1105 HG23 0.01 0.02 -0.05 -0.04 1.22 1.17 3dm0A1 LYS 1106 H 0.02 0.02 0.03 -0.55 8.42 7.93 3dm0A1 LYS 1106 HA -0.09 0.27 0.67 -0.75 4.32 4.41 3dm0A1 LYS 1106 HB2 -0.14 -0.19 -0.10 -0.04 1.87 1.40 3dm0A1 LYS 1106 HB3 -0.27 -0.06 0.06 -0.04 1.79 1.48 3dm0A1 LYS 1106 HG2 -0.09 0.14 0.02 -0.04 1.46 1.49 3dm0A1 LYS 1106 HG3 -0.05 -0.03 -0.39 -0.04 1.46 0.96 3dm0A1 LYS 1106 HD2 -0.05 0.03 -0.27 -0.04 1.69 1.36 3dm0A1 LYS 1106 HD3 -0.17 -0.04 -0.11 -0.04 1.68 1.31 3dm0A1 LYS 1106 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.91 3dm0A1 LYS 1106 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.90 3dm0A1 ASP 1107 H -0.33 0.16 0.11 -0.55 8.40 7.80 3dm0A1 ASP 1107 HA -0.21 -0.04 0.34 -0.75 4.63 3.97 3dm0A1 ASP 1107 HB2 -0.84 -0.07 0.07 -0.04 2.71 1.83 3dm0A1 ASP 1107 HB3 -0.84 0.07 0.01 -0.04 2.70 1.90 3dm0A1 VAL 1108 H -0.14 0.39 0.18 -0.55 8.24 8.12 3dm0A1 VAL 1108 HA -0.32 0.16 0.92 -0.75 4.13 4.14 3dm0A1 VAL 1108 HB -0.09 -0.03 0.12 -0.04 2.12 2.08 3dm0A1 VAL 1108 HG13 -0.11 0.01 -0.14 -0.04 0.97 0.70 3dm0A1 VAL 1108 HG23 -0.12 -0.03 -0.23 -0.04 0.95 0.53 3dm0A1 LEU 1109 H -0.20 0.60 0.26 -0.55 8.37 8.47 3dm0A1 LEU 1109 HA -0.05 0.14 0.86 -0.75 4.35 4.55 3dm0A1 LEU 1109 HB2 -0.14 0.13 -0.03 -0.04 1.64 1.56 3dm0A1 LEU 1109 HB3 -0.08 0.10 0.11 -0.04 1.64 1.73 3dm0A1 LEU 1109 HG -0.46 -0.10 -0.35 -0.04 1.64 0.69 3dm0A1 LEU 1109 HD13 -0.47 0.05 -0.18 -0.04 0.93 0.28 3dm0A1 LEU 1109 HD23 -0.52 0.01 -0.12 -0.04 0.89 0.22 3dm0A1 SER 1110 H -0.07 0.22 0.14 -0.55 8.46 8.20 3dm0A1 SER 1110 HA 0.02 0.13 0.57 -0.75 4.49 4.45 3dm0A1 SER 1110 HB2 0.03 0.46 -0.23 -0.04 3.95 4.16 3dm0A1 SER 1110 HB3 0.01 -0.16 -0.20 -0.04 3.93 3.54 3dm0A1 VAL 1111 H 0.02 0.32 0.18 -0.55 8.24 8.21 3dm0A1 VAL 1111 HA -0.01 0.29 0.93 -0.75 4.13 4.58 3dm0A1 VAL 1111 HB -0.17 0.02 -0.10 -0.04 2.12 1.83 3dm0A1 VAL 1111 HG13 -0.10 -0.01 -0.42 -0.04 0.97 0.40 3dm0A1 VAL 1111 HG23 -0.03 -0.02 -0.36 -0.04 0.95 0.50 3dm0A1 ALA 1112 H 0.01 0.57 0.31 -0.55 8.40 8.74 3dm0A1 ALA 1112 HA 0.13 0.11 0.71 -0.75 4.34 4.53 3dm0A1 ALA 1112 HB3 0.26 0.05 -0.07 -0.04 1.41 1.61 3dm0A1 PHE 1113 H 0.31 0.21 0.18 -0.55 8.34 8.49 3dm0A1 PHE 1113 HA 0.06 0.17 0.85 -0.75 4.62 4.94 3dm0A1 PHE 1113 HB2 0.05 0.01 0.13 -0.04 3.15 3.30 3dm0A1 PHE 1113 HB3 -0.03 0.14 -0.03 -0.04 3.06 3.10 3dm0A1 PHE 1113 HD2 0.04 0.08 -0.14 -0.04 7.28 7.21 3dm0A1 PHE 1113 HE2 0.05 0.03 -0.29 -0.04 7.38 7.13 3dm0A1 PHE 1113 HZ 0.03 -0.02 -0.18 -0.04 7.32 7.11 3dm0A1 SER 1114 H 0.02 0.56 0.29 -0.55 8.46 8.78 3dm0A1 SER 1114 HA -2.00 0.12 0.44 -0.75 4.49 2.30 3dm0A1 SER 1114 HB2 -0.36 0.04 0.11 -0.04 3.95 3.69 3dm0A1 SER 1114 HB3 -0.23 0.14 0.10 -0.04 3.93 3.91 3dm0A1 LEU 1115 H -0.36 0.19 0.15 -0.55 8.37 7.81 3dm0A1 LEU 1115 HA -0.08 0.14 0.41 -0.75 4.35 4.06 3dm0A1 LEU 1115 HB2 -0.06 -0.05 0.09 -0.04 1.64 1.58 3dm0A1 LEU 1115 HB3 -0.03 0.07 0.08 -0.04 1.64 1.72 3dm0A1 LEU 1115 HG -0.12 -0.12 0.12 -0.04 1.64 1.48 3dm0A1 LEU 1115 HD13 0.03 0.07 -0.07 -0.04 0.93 0.91 3dm0A1 LEU 1115 HD23 0.03 0.03 -0.05 -0.04 0.89 0.86 3dm0A1 ASP 1116 H -0.09 0.04 -0.20 -0.55 8.40 7.60 3dm0A1 ASP 1116 HA -0.05 0.22 0.66 -0.75 4.63 4.71 3dm0A1 ASP 1116 HB2 -0.02 0.06 0.14 -0.04 2.71 2.85 3dm0A1 ASP 1116 HB3 -0.03 0.05 0.05 -0.04 2.70 2.73 3dm0A1 ASN 1117 H -0.10 0.62 -0.64 -0.55 8.53 7.85 3dm0A1 ASN 1117 HA -0.03 0.06 0.29 -0.75 4.76 4.32 3dm0A1 ASN 1117 HB2 -0.17 0.15 -0.23 -0.04 2.88 2.59 3dm0A1 ASN 1117 HB3 -0.35 -0.04 0.20 -0.04 2.79 2.56 3dm0A1 ASN 1117 HD21 -0.23 -0.00 0.02 -0.04 7.03 6.78 3dm0A1 ASN 1117 HD22 -0.17 0.43 0.02 -0.04 7.74 7.98 3dm0A1 ARG 1118 H 0.00 -0.04 -0.47 -0.55 8.46 7.40 3dm0A1 ARG 1118 HA 0.06 0.19 0.76 -0.75 4.34 4.59 3dm0A1 ARG 1118 HB2 0.02 -0.06 -0.03 -0.04 1.90 1.80 3dm0A1 ARG 1118 HB3 0.04 -0.01 0.07 -0.04 1.80 1.87 3dm0A1 ARG 1118 HG2 0.01 -0.01 0.00 -0.04 1.67 1.63 3dm0A1 ARG 1118 HG3 -0.01 0.24 -0.11 -0.04 1.67 1.75 3dm0A1 ARG 1118 HD2 0.00 0.02 0.00 -0.04 3.22 3.21 3dm0A1 ARG 1118 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.13 3dm0A1 GLN 1119 H 0.09 -0.03 -0.05 -0.55 8.47 7.94 3dm0A1 GLN 1119 HA 0.19 0.35 0.97 -0.75 4.36 5.12 3dm0A1 GLN 1119 HB2 0.12 -0.14 0.01 -0.04 2.15 2.10 3dm0A1 GLN 1119 HB3 0.22 0.08 -0.04 -0.04 2.02 2.23 3dm0A1 GLN 1119 HG2 0.08 -0.11 -0.37 -0.04 2.40 1.96 3dm0A1 GLN 1119 HG3 0.11 0.04 -0.10 -0.04 2.39 2.40 3dm0A1 GLN 1119 HE21 0.09 -0.11 0.04 -0.04 6.97 6.95 3dm0A1 GLN 1119 HE22 0.08 -0.06 -0.07 -0.04 7.69 7.59 3dm0A1 ILE 1120 H 0.29 0.76 0.30 -0.55 8.25 9.05 3dm0A1 ILE 1120 HA 0.16 0.27 1.08 -0.75 4.18 4.94 3dm0A1 ILE 1120 HB 0.18 -0.00 -0.05 -0.04 1.89 1.97 3dm0A1 ILE 1120 HG12 -0.25 0.02 -0.19 -0.04 1.49 1.03 3dm0A1 ILE 1120 HG13 0.18 -0.09 -0.57 -0.04 1.21 0.69 3dm0A1 ILE 1120 HG23 -0.38 0.01 -0.22 -0.04 0.93 0.29 3dm0A1 ILE 1120 HD13 -0.09 0.02 -0.20 -0.04 0.88 0.56 3dm0A1 VAL 1121 H 0.20 0.59 0.31 -0.55 8.24 8.79 3dm0A1 VAL 1121 HA 0.27 0.50 1.16 -0.75 4.13 5.31 3dm0A1 VAL 1121 HB 0.01 -0.05 -0.11 -0.04 2.12 1.93 3dm0A1 VAL 1121 HG13 -0.05 0.01 -0.19 -0.04 0.97 0.70 3dm0A1 VAL 1121 HG23 0.12 -0.01 -0.31 -0.04 0.95 0.70 3dm0A1 SER 1122 H 0.23 0.44 0.32 -0.55 8.46 8.91 3dm0A1 SER 1122 HA 0.06 0.28 0.86 -0.75 4.49 4.93 3dm0A1 SER 1122 HB2 0.12 0.05 0.07 -0.04 3.95 4.15 3dm0A1 SER 1122 HB3 0.10 0.00 -0.17 -0.04 3.93 3.83 3dm0A1 ALA 1123 H -0.02 0.51 0.28 -0.55 8.40 8.62 3dm0A1 ALA 1123 HA 0.01 0.27 0.97 -0.75 4.34 4.84 3dm0A1 ALA 1123 HB3 -0.01 0.00 -0.27 -0.04 1.41 1.09 3dm0A1 SER 1124 H -0.09 0.44 0.30 -0.55 8.46 8.56 3dm0A1 SER 1124 HA -0.34 0.23 1.16 -0.75 4.49 4.78 3dm0A1 SER 1124 HB2 -1.16 0.07 -0.14 -0.04 3.95 2.68 3dm0A1 SER 1124 HB3 -0.16 -0.06 0.02 -0.04 3.93 3.69 3dm0A1 ARG 1125 H -0.43 0.70 0.18 -0.55 8.46 8.37 3dm0A1 ARG 1125 HA -0.52 0.03 0.60 -0.75 4.34 3.69 3dm0A1 ARG 1125 HB2 -0.71 -0.02 0.12 -0.04 1.90 1.25 3dm0A1 ARG 1125 HB3 -0.98 0.03 0.10 -0.04 1.80 0.91 3dm0A1 ARG 1125 HG2 -2.47 -0.03 0.04 -0.04 1.67 -0.83 3dm0A1 ARG 1125 HG3 -1.15 0.06 -0.04 -0.04 1.67 0.50 3dm0A1 ARG 1125 HD2 -1.35 -0.03 0.03 -0.04 3.22 1.83 3dm0A1 ARG 1125 HD3 -1.91 0.01 0.04 -0.04 3.22 1.32 3dm0A1 ASP 1126 H -0.14 0.04 -0.37 -0.55 8.40 7.38 3dm0A1 ASP 1126 HA 0.00 0.21 0.46 -0.75 4.63 4.55 3dm0A1 ASP 1126 HB2 0.03 0.11 0.11 -0.04 2.71 2.92 3dm0A1 ASP 1126 HB3 -0.01 -0.08 0.02 -0.04 2.70 2.59 3dm0A1 ARG 1127 H 0.05 0.09 -1.05 -0.55 8.46 6.99 3dm0A1 ARG 1127 HA 0.12 0.11 0.19 -0.75 4.34 4.00 3dm0A1 ARG 1127 HB2 0.07 0.14 -0.22 -0.04 1.90 1.85 3dm0A1 ARG 1127 HB3 0.11 0.09 0.01 -0.04 1.80 1.97 3dm0A1 ARG 1127 HG2 0.12 -0.08 -0.49 -0.04 1.67 1.18 3dm0A1 ARG 1127 HG3 0.17 0.01 -0.41 -0.04 1.67 1.39 3dm0A1 ARG 1127 HD2 0.07 -0.04 -0.21 -0.04 3.22 3.00 3dm0A1 ARG 1127 HD3 0.07 0.06 -0.19 -0.04 3.22 3.12 3dm0A1 THR 1128 H 0.07 -0.08 -0.43 -0.55 8.28 7.29 3dm0A1 THR 1128 HA 0.05 0.46 1.08 -0.75 4.39 5.23 3dm0A1 THR 1128 HB -0.01 -0.01 -0.18 -0.04 4.32 4.08 3dm0A1 THR 1128 HG23 0.01 0.06 -0.21 -0.04 1.22 1.04 3dm0A1 ILE 1129 H -0.05 0.34 0.16 -0.55 8.25 8.15 3dm0A1 ILE 1129 HA 0.06 0.35 1.02 -0.75 4.18 4.86 3dm0A1 ILE 1129 HB -0.29 -0.03 0.12 -0.04 1.89 1.64 3dm0A1 ILE 1129 HG12 -0.01 0.03 -0.09 -0.04 1.49 1.37 3dm0A1 ILE 1129 HG13 0.01 -0.03 -0.26 -0.04 1.21 0.90 3dm0A1 ILE 1129 HG23 -0.18 0.00 -0.22 -0.04 0.93 0.49 3dm0A1 ILE 1129 HD13 -0.21 0.00 -0.15 -0.04 0.88 0.48 3dm0A1 LYS 1130 H 0.19 0.48 0.27 -0.55 8.42 8.80 3dm0A1 LYS 1130 HA -0.16 0.31 1.26 -0.75 4.32 4.98 3dm0A1 LYS 1130 HB2 0.06 -0.05 -0.03 -0.04 1.87 1.82 3dm0A1 LYS 1130 HB3 -0.82 0.05 -0.07 -0.04 1.79 0.91 3dm0A1 LYS 1130 HG2 -0.41 0.06 -0.10 -0.04 1.46 0.97 3dm0A1 LYS 1130 HG3 -0.22 -0.09 -0.48 -0.04 1.46 0.63 3dm0A1 LYS 1130 HD2 -1.66 -0.05 -0.18 -0.04 1.69 -0.25 3dm0A1 LYS 1130 HD3 -0.77 0.02 -0.17 -0.04 1.68 0.72 3dm0A1 LYS 1130 HE2 -0.27 -0.03 -0.22 -0.04 2.99 2.43 3dm0A1 LYS 1130 HE3 -0.34 -0.00 -0.45 -0.04 2.99 2.16 3dm0A1 LEU 1131 H -0.22 0.70 0.39 -0.55 8.37 8.69 3dm0A1 LEU 1131 HA 0.16 0.30 1.00 -0.75 4.35 5.07 3dm0A1 LEU 1131 HB2 0.02 -0.09 0.16 -0.04 1.64 1.69 3dm0A1 LEU 1131 HB3 0.08 0.02 -0.05 -0.04 1.64 1.65 3dm0A1 LEU 1131 HG -0.00 -0.01 -0.18 -0.04 1.64 1.40 3dm0A1 LEU 1131 HD13 -0.02 0.01 -0.14 -0.04 0.93 0.74 3dm0A1 LEU 1131 HD23 0.06 0.01 -0.17 -0.04 0.89 0.75 3dm0A1 TRP 1132 H 0.46 0.77 0.43 -0.55 7.97 9.08 3dm0A1 TRP 1132 HA 0.09 0.20 1.18 -0.75 4.62 5.34 3dm0A1 TRP 1132 HB2 0.33 -0.01 -0.08 -0.04 3.23 3.43 3dm0A1 TRP 1132 HB3 0.27 -0.02 -0.09 -0.04 3.23 3.36 3dm0A1 TRP 1132 HD1 0.07 0.28 -0.36 -0.04 7.22 7.17 3dm0A1 TRP 1132 HE1 0.08 -0.04 -0.25 -0.04 10.20 9.94 3dm0A1 TRP 1132 HE3 0.04 -0.04 -0.88 -0.04 7.59 6.67 3dm0A1 TRP 1132 HZ2 -0.09 -0.07 -0.17 -0.04 7.44 7.07 3dm0A1 TRP 1132 HZ3 -0.02 0.25 -0.24 -0.04 7.13 7.09 3dm0A1 TRP 1132 HH2 0.01 -0.07 -0.71 -0.04 7.19 6.38 3dm0A1 ASN 1133 H 0.29 0.28 0.21 -0.55 8.53 8.76 3dm0A1 ASN 1133 HA 0.18 0.31 0.81 -0.75 4.76 5.31 3dm0A1 ASN 1133 HB2 0.09 -0.05 0.25 -0.04 2.88 3.12 3dm0A1 ASN 1133 HB3 0.10 0.10 0.13 -0.04 2.79 3.07 3dm0A1 ASN 1133 HD21 0.03 0.03 -0.02 -0.04 7.03 7.03 3dm0A1 ASN 1133 HD22 0.04 0.09 0.02 -0.04 7.74 7.85 3dm0A1 THR 1134 H 0.10 0.21 0.16 -0.55 8.28 8.21 3dm0A1 THR 1134 HA 0.25 0.18 0.54 -0.75 4.39 4.60 3dm0A1 THR 1134 HB 0.06 0.01 0.08 -0.04 4.32 4.43 3dm0A1 THR 1134 HG23 0.14 0.03 -0.04 -0.04 1.22 1.30 3dm0A1 LEU 1135 H 0.02 0.01 -0.19 -0.55 8.37 7.66 3dm0A1 LEU 1135 HA -0.10 0.25 0.66 -0.75 4.35 4.40 3dm0A1 LEU 1135 HB2 -0.02 -0.05 0.03 -0.04 1.64 1.56 3dm0A1 LEU 1135 HB3 -0.05 0.07 0.15 -0.04 1.64 1.77 3dm0A1 LEU 1135 HG 0.00 -0.12 0.01 -0.04 1.64 1.49 3dm0A1 LEU 1135 HD13 -0.01 0.02 0.01 -0.04 0.93 0.91 3dm0A1 LEU 1135 HD23 -0.03 0.04 -0.10 -0.04 0.89 0.75 3dm0A1 GLY 1136 H -0.32 0.18 -0.60 -0.55 8.43 7.15 3dm0A1 GLY 1136 HA2 -1.39 0.00 0.14 -0.51 4.01 2.26 3dm0A1 GLY 1136 HA3 -0.54 0.22 0.47 -0.51 4.01 3.65 3dm0A1 GLU 1137 H 0.07 -0.06 -0.24 -0.55 8.60 7.82 3dm0A1 GLU 1137 HA 0.11 0.25 0.84 -0.75 4.29 4.73 3dm0A1 GLU 1137 HB2 0.03 -0.06 -0.10 -0.04 2.09 1.92 3dm0A1 GLU 1137 HB3 -0.00 0.09 -0.02 -0.04 1.99 2.03 3dm0A1 GLU 1137 HG2 -0.01 0.13 -0.18 -0.04 2.34 2.24 3dm0A1 GLU 1137 HG3 0.01 -0.17 -0.16 -0.04 2.34 1.97 3dm0A1 CYS 1138 H -0.16 0.21 0.11 -0.55 8.50 8.11 3dm0A1 CYS 1138 HA -0.86 0.15 0.58 -0.75 4.58 3.70 3dm0A1 CYS 1138 HB2 -1.11 0.01 0.02 -0.04 2.97 1.85 3dm0A1 CYS 1138 HB3 -0.44 0.01 0.12 -0.04 2.97 2.62 3dm0A1 LYS 1139 H -0.17 0.67 0.44 -0.55 8.42 8.80 3dm0A1 LYS 1139 HA -0.05 0.12 0.65 -0.75 4.32 4.29 3dm0A1 TYR 1140 H -0.17 0.28 0.12 -0.55 8.29 7.97 3dm0A1 TYR 1140 HA -0.14 0.10 0.48 -0.75 4.56 4.25 3dm0A1 TYR 1140 HB2 -0.07 0.17 -0.35 -0.04 3.06 2.76 3dm0A1 TYR 1140 HB3 -0.10 -0.08 -0.11 -0.04 2.98 2.64 3dm0A1 TYR 1140 HD2 -0.10 -0.01 -0.22 -0.04 7.15 6.77 3dm0A1 TYR 1140 HE2 -0.07 -0.02 -0.13 -0.04 6.85 6.60 3dm0A1 THR 1141 H -0.85 0.25 0.11 -0.55 8.28 7.25 3dm0A1 THR 1141 HA -0.19 0.28 1.09 -0.75 4.39 4.82 3dm0A1 THR 1141 HB -0.30 -0.01 0.10 -0.04 4.32 4.07 3dm0A1 THR 1141 HG23 -0.16 -0.01 -0.27 -0.04 1.22 0.74 3dm0A1 ILE 1142 H -0.10 0.67 0.22 -0.55 8.25 8.49 3dm0A1 ILE 1142 HA 0.01 0.11 0.64 -0.75 4.18 4.18 3dm0A1 ILE 1142 HB -0.34 -0.12 0.26 -0.04 1.89 1.66 3dm0A1 ILE 1142 HG12 -0.14 0.12 -0.04 -0.04 1.49 1.39 3dm0A1 ILE 1142 HG13 -0.09 -0.04 -0.08 -0.04 1.21 0.96 3dm0A1 ILE 1142 HG23 -0.58 0.03 -0.02 -0.04 0.93 0.31 3dm0A1 ILE 1142 HD13 -1.12 -0.01 -0.13 -0.04 0.88 -0.42 3dm0A1 SER 1143 H -0.09 0.34 0.10 -0.55 8.46 8.27 3dm0A1 SER 1143 HA -0.04 0.03 0.26 -0.75 4.49 3.99 3dm0A1 SER 1143 HB2 -0.03 -0.03 0.10 -0.04 3.95 3.96 3dm0A1 SER 1143 HB3 -0.08 0.07 0.11 -0.04 3.93 3.99 3dm0A1 GLU 1144 H 0.01 0.09 0.11 -0.55 8.60 8.26 3dm0A1 GLU 1144 HA 0.07 0.32 0.42 -0.75 4.29 4.35 3dm0A1 GLU 1144 HB2 0.04 -0.01 0.09 -0.04 2.09 2.17 3dm0A1 GLU 1144 HB3 0.03 -0.11 -0.00 -0.04 1.99 1.86 3dm0A1 GLU 1144 HG2 0.05 0.02 0.14 -0.04 2.34 2.51 3dm0A1 GLU 1144 HG3 0.08 0.10 0.07 -0.04 2.34 2.55 3dm0A1 GLY 1145 H 0.02 -0.15 -1.06 -0.55 8.43 6.69 3dm0A1 GLY 1145 HA2 0.03 0.01 0.24 -0.51 4.01 3.77 3dm0A1 GLY 1145 HA3 0.04 -0.05 0.23 -0.51 4.01 3.71 3dm0A1 GLY 1146 H 0.03 0.06 0.11 -0.55 8.43 8.09 3dm0A1 GLY 1146 HA2 0.03 0.12 0.30 -0.51 4.01 3.96 3dm0A1 GLY 1146 HA3 0.02 -0.04 0.30 -0.51 4.01 3.78 3dm0A1 GLU 1147 H 0.06 -0.11 -0.46 -0.55 8.60 7.54 3dm0A1 GLU 1147 HA 0.03 0.06 0.46 -0.75 4.29 4.09 3dm0A1 GLU 1147 HB2 0.13 -0.03 0.03 -0.04 2.09 2.18 3dm0A1 GLU 1147 HB3 0.08 -0.06 0.04 -0.04 1.99 2.01 3dm0A1 GLU 1147 HG2 0.25 0.14 -0.16 -0.04 2.34 2.52 3dm0A1 GLU 1147 HG3 0.19 -0.01 -0.02 -0.04 2.34 2.45 3dm0A1 GLY 1148 H 0.13 0.02 -0.29 -0.55 8.43 7.74 3dm0A1 GLY 1148 HA2 0.42 -0.05 0.33 -0.51 4.01 4.20 3dm0A1 GLY 1148 HA3 0.13 0.18 0.27 -0.51 4.01 4.07 3dm0A1 HIS 1149 H 0.14 0.09 0.07 -0.55 8.41 8.17 3dm0A1 HIS 1149 HA 0.12 0.09 0.52 -0.75 4.63 4.61 3dm0A1 HIS 1149 HB2 0.12 0.15 0.01 -0.04 3.26 3.50 3dm0A1 HIS 1149 HB3 0.12 -0.24 -0.01 -0.04 3.20 3.03 3dm0A1 HIS 1149 HD2 0.14 0.00 -0.13 -0.04 6.97 6.94 3dm0A1 HIS 1149 HE1 0.13 -0.01 -0.37 -0.04 7.75 7.46 3dm0A1 ARG 1150 H 0.19 -0.00 0.13 -0.55 8.46 8.23 3dm0A1 ARG 1150 HA 0.09 0.31 0.85 -0.75 4.34 4.84 3dm0A1 ASP 1151 H 0.15 0.02 -0.06 -0.55 8.40 7.97 3dm0A1 ASP 1151 HA 0.01 0.25 0.64 -0.75 4.63 4.78 3dm0A1 ASP 1151 HB2 0.04 0.04 -0.30 -0.04 2.71 2.45 3dm0A1 ASP 1151 HB3 0.09 -0.19 -0.12 -0.04 2.70 2.44 3dm0A1 TRP 1152 H -0.12 0.12 0.13 -0.55 7.97 7.55 3dm0A1 TRP 1152 HA -0.13 0.09 0.46 -0.75 4.62 4.28 3dm0A1 TRP 1152 HB2 -0.45 -0.12 0.08 -0.04 3.23 2.70 3dm0A1 TRP 1152 HB3 -0.38 0.11 -0.11 -0.04 3.23 2.81 3dm0A1 TRP 1152 HD1 -0.19 0.18 0.11 -0.04 7.22 7.28 3dm0A1 TRP 1152 HE1 -0.24 0.05 0.06 -0.04 10.20 10.03 3dm0A1 TRP 1152 HE3 -2.39 -0.02 -0.01 -0.04 7.59 5.12 3dm0A1 TRP 1152 HZ2 -0.34 0.02 0.03 -0.04 7.44 7.12 3dm0A1 TRP 1152 HZ3 -1.77 0.02 0.01 -0.04 7.13 5.34 3dm0A1 TRP 1152 HH2 -0.52 0.02 0.02 -0.04 7.19 6.67 3dm0A1 VAL 1153 H 0.04 0.52 0.25 -0.55 8.24 8.51 3dm0A1 VAL 1153 HA -0.08 0.21 0.89 -0.75 4.13 4.40 3dm0A1 VAL 1153 HB -0.01 -0.18 0.16 -0.04 2.12 2.05 3dm0A1 VAL 1153 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.83 3dm0A1 VAL 1153 HG23 0.09 -0.01 -0.20 -0.04 0.95 0.78 3dm0A1 SER 1154 H 0.10 0.36 -0.05 -0.55 8.46 8.32 3dm0A1 SER 1154 HA 0.02 0.11 0.65 -0.75 4.49 4.51 3dm0A1 SER 1154 HB2 0.21 0.13 0.09 -0.04 3.95 4.34 3dm0A1 SER 1154 HB3 0.43 -0.12 -0.09 -0.04 3.93 4.10 3dm0A1 CYS 1155 H 0.05 0.26 0.01 -0.55 8.50 8.26 3dm0A1 CYS 1155 HA 0.05 0.13 0.53 -0.75 4.58 4.53 3dm0A1 CYS 1155 HB2 0.09 0.37 -0.37 -0.04 2.97 3.01 3dm0A1 CYS 1155 HB3 0.08 -0.19 -0.17 -0.04 2.97 2.65 3dm0A1 VAL 1156 H 0.05 0.29 0.06 -0.55 8.24 8.09 3dm0A1 VAL 1156 HA 0.05 0.41 0.84 -0.75 4.13 4.68 3dm0A1 VAL 1156 HB -0.06 0.01 -0.22 -0.04 2.12 1.81 3dm0A1 VAL 1156 HG13 0.02 -0.01 -0.35 -0.04 0.97 0.59 3dm0A1 VAL 1156 HG23 0.01 -0.04 -0.39 -0.04 0.95 0.50 3dm0A1 ARG 1157 H 0.03 0.50 0.23 -0.55 8.46 8.67 3dm0A1 ARG 1157 HA 0.10 0.13 0.84 -0.75 4.34 4.66 3dm0A1 ARG 1157 HB2 0.12 -0.05 -0.06 -0.04 1.90 1.86 3dm0A1 ARG 1157 HB3 0.15 0.09 0.03 -0.04 1.80 2.04 3dm0A1 ARG 1157 HG2 0.11 -0.08 -0.45 -0.04 1.67 1.20 3dm0A1 ARG 1157 HG3 0.14 0.13 0.04 -0.04 1.67 1.94 3dm0A1 ARG 1157 HD2 0.17 -0.01 0.16 -0.04 3.22 3.49 3dm0A1 ARG 1157 HD3 0.15 0.03 0.25 -0.04 3.22 3.61 3dm0A1 PHE 1158 H 0.33 0.15 0.15 -0.55 8.34 8.41 3dm0A1 PHE 1158 HA 0.10 0.16 0.81 -0.75 4.62 4.93 3dm0A1 PHE 1158 HB2 0.10 0.02 0.11 -0.04 3.15 3.34 3dm0A1 PHE 1158 HB3 0.09 0.09 -0.04 -0.04 3.06 3.15 3dm0A1 PHE 1158 HD2 0.09 0.05 -0.11 -0.04 7.28 7.27 3dm0A1 PHE 1158 HE2 0.08 0.03 -0.37 -0.04 7.38 7.08 3dm0A1 PHE 1158 HZ 0.09 -0.00 -0.30 -0.04 7.32 7.07 3dm0A1 SER 1159 H 0.20 0.63 0.37 -0.55 8.46 9.12 3dm0A1 SER 1159 HA 0.12 0.13 0.68 -0.75 4.49 4.66 3dm0A1 SER 1159 HB2 0.07 -0.03 0.10 -0.04 3.95 4.06 3dm0A1 SER 1159 HB3 0.09 -0.02 0.03 -0.04 3.93 3.99 3dm0A1 PRO 1160 HA 0.08 0.02 0.36 -0.51 4.44 4.39 3dm0A1 PRO 1160 HB2 0.04 0.06 -0.12 -0.04 2.28 2.21 3dm0A1 PRO 1160 HB3 0.05 0.01 0.13 -0.04 2.02 2.17 3dm0A1 PRO 1160 HG2 0.04 0.08 0.08 -0.04 2.03 2.20 3dm0A1 PRO 1160 HG3 0.09 0.01 0.08 -0.04 2.03 2.17 3dm0A1 PRO 1160 HD2 0.05 -0.01 0.10 -0.04 3.68 3.77 3dm0A1 PRO 1160 HD3 0.09 0.19 0.27 -0.04 3.65 4.17 3dm0A1 ASN 1161 H 0.06 0.03 -0.52 -0.55 8.53 7.56 3dm0A1 ASN 1161 HA 0.03 0.04 0.45 -0.75 4.76 4.52 3dm0A1 ASN 1161 HB2 0.03 0.11 0.10 -0.04 2.88 3.08 3dm0A1 ASN 1161 HB3 0.05 0.05 0.09 -0.04 2.79 2.94 3dm0A1 ASN 1161 HD21 0.02 -0.02 0.01 -0.04 7.03 7.00 3dm0A1 ASN 1161 HD22 0.02 0.15 0.03 -0.04 7.74 7.90 3dm0A1 THR 1162 H 0.03 0.19 0.24 -0.55 8.28 8.20 3dm0A1 THR 1162 HA 0.04 0.11 0.45 -0.75 4.39 4.23 3dm0A1 THR 1162 HB 0.02 -0.02 0.12 -0.04 4.32 4.40 3dm0A1 THR 1162 HG23 0.02 0.03 0.08 -0.04 1.22 1.31 3dm0A1 LEU 1163 H 0.03 0.01 -0.27 -0.55 8.37 7.59 3dm0A1 LEU 1163 HA 0.02 0.10 0.48 -0.75 4.35 4.21 3dm0A1 GLN 1164 H 0.04 0.11 -0.27 -0.55 8.47 7.80 3dm0A1 GLN 1164 HA 0.03 0.21 0.82 -0.75 4.36 4.67 3dm0A1 PRO 1165 HA 0.12 0.12 0.43 -0.51 4.44 4.60 3dm0A1 PRO 1165 HB2 0.11 -0.08 0.02 -0.04 2.28 2.28 3dm0A1 PRO 1165 HB3 0.08 0.08 0.07 -0.04 2.02 2.21 3dm0A1 PRO 1165 HG2 0.06 -0.22 0.14 -0.04 2.03 1.96 3dm0A1 PRO 1165 HG3 0.05 0.08 0.04 -0.04 2.03 2.15 3dm0A1 PRO 1165 HD2 0.04 0.13 0.14 -0.04 3.68 3.94 3dm0A1 PRO 1165 HD3 0.04 0.29 -0.10 -0.04 3.65 3.84 3dm0A1 THR 1166 H 0.15 0.26 0.37 -0.55 8.28 8.51 3dm0A1 THR 1166 HA 0.11 0.19 0.98 -0.75 4.39 4.92 3dm0A1 THR 1166 HB 0.07 -0.05 0.12 -0.04 4.32 4.42 3dm0A1 THR 1166 HG23 0.05 0.06 -0.34 -0.04 1.22 0.95 3dm0A1 ILE 1167 H 0.14 0.37 0.31 -0.55 8.25 8.52 3dm0A1 ILE 1167 HA -0.03 0.27 1.02 -0.75 4.18 4.69 3dm0A1 ILE 1167 HB -0.24 0.05 -0.12 -0.04 1.89 1.54 3dm0A1 ILE 1167 HG12 0.08 -0.05 -0.07 -0.04 1.49 1.41 3dm0A1 ILE 1167 HG13 0.14 0.03 -0.28 -0.04 1.21 1.06 3dm0A1 ILE 1167 HG23 -0.70 -0.03 -0.33 -0.04 0.93 -0.18 3dm0A1 ILE 1167 HD13 -0.26 -0.00 -0.24 -0.04 0.88 0.34 3dm0A1 VAL 1168 H 0.06 0.50 0.30 -0.55 8.24 8.55 3dm0A1 VAL 1168 HA 0.15 0.42 1.12 -0.75 4.13 5.07 3dm0A1 VAL 1168 HB 0.08 -0.05 -0.07 -0.04 2.12 2.04 3dm0A1 VAL 1168 HG13 -0.00 0.00 -0.19 -0.04 0.97 0.74 3dm0A1 VAL 1168 HG23 0.04 -0.00 -0.20 -0.04 0.95 0.74 3dm0A1 SER 1169 H 0.21 0.36 0.30 -0.55 8.46 8.78 3dm0A1 SER 1169 HA 0.13 0.30 1.02 -0.75 4.49 5.19 3dm0A1 SER 1169 HB2 0.24 0.07 0.02 -0.04 3.95 4.23 3dm0A1 SER 1169 HB3 0.25 -0.03 -0.20 -0.04 3.93 3.91 3dm0A1 ALA 1170 H 0.07 0.42 0.22 -0.55 8.40 8.57 3dm0A1 ALA 1170 HA 0.05 0.20 0.74 -0.75 4.34 4.57 3dm0A1 ALA 1170 HB3 0.07 0.01 -0.27 -0.04 1.41 1.18 3dm0A1 SER 1171 H 0.02 0.32 0.33 -0.55 8.46 8.59 3dm0A1 SER 1171 HA 0.08 0.16 0.89 -0.75 4.49 4.86 3dm0A1 SER 1171 HB2 -0.99 0.14 -0.29 -0.04 3.95 2.77 3dm0A1 SER 1171 HB3 -0.10 0.01 -0.08 -0.04 3.93 3.71 3dm0A1 TRP 1172 H 0.41 0.70 0.23 -0.55 7.97 8.76 3dm0A1 TRP 1172 HA 0.08 -0.03 0.69 -0.75 4.62 4.60 3dm0A1 TRP 1172 HB2 -0.16 -0.08 0.20 -0.04 3.23 3.15 3dm0A1 TRP 1172 HB3 -0.26 0.05 0.19 -0.04 3.23 3.18 3dm0A1 TRP 1172 HD1 0.08 0.02 -0.18 -0.04 7.22 7.10 3dm0A1 TRP 1172 HE1 -0.09 0.09 -0.10 -0.04 10.20 10.07 3dm0A1 TRP 1172 HE3 -0.45 0.01 0.08 -0.04 7.59 7.19 3dm0A1 TRP 1172 HZ2 -0.49 0.06 -0.01 -0.04 7.44 6.96 3dm0A1 TRP 1172 HZ3 -0.23 0.03 0.04 -0.04 7.13 6.92 3dm0A1 TRP 1172 HH2 -0.28 0.03 0.02 -0.04 7.19 6.92 3dm0A1 ASP 1173 H 0.13 0.08 -0.57 -0.55 8.40 7.50 3dm0A1 ASP 1173 HA 0.07 0.21 0.52 -0.75 4.63 4.68 3dm0A1 ASP 1173 HB2 0.10 0.14 0.11 -0.04 2.71 3.02 3dm0A1 ASP 1173 HB3 0.12 -0.12 -0.00 -0.04 2.70 2.66 3dm0A1 LYS 1174 H 0.05 0.02 -0.80 -0.55 8.42 7.13 3dm0A1 LYS 1174 HA 0.00 0.06 0.27 -0.75 4.32 3.90 3dm0A1 LYS 1174 HB2 0.05 0.17 -0.08 -0.04 1.87 1.96 3dm0A1 LYS 1174 HB3 0.05 0.05 -0.03 -0.04 1.79 1.81 3dm0A1 LYS 1174 HG2 -0.04 -0.17 -0.65 -0.04 1.46 0.57 3dm0A1 LYS 1174 HG3 0.02 -0.03 -0.59 -0.04 1.46 0.81 3dm0A1 LYS 1174 HD2 0.01 0.02 -0.18 -0.04 1.69 1.50 3dm0A1 LYS 1174 HD3 -0.00 -0.02 -0.40 -0.04 1.68 1.22 3dm0A1 LYS 1174 HE2 -0.04 -0.09 -0.12 -0.04 2.99 2.71 3dm0A1 LYS 1174 HE3 -0.00 -0.02 -0.11 -0.04 2.99 2.82 3dm0A1 THR 1175 H 0.10 -0.10 -0.72 -0.55 8.28 7.01 3dm0A1 THR 1175 HA 0.07 0.28 1.02 -0.75 4.39 5.01 3dm0A1 THR 1175 HB 0.02 -0.01 -0.02 -0.04 4.32 4.27 3dm0A1 THR 1175 HG23 0.07 0.07 -0.12 -0.04 1.22 1.20 3dm0A1 VAL 1176 H -0.08 0.41 0.27 -0.55 8.24 8.30 3dm0A1 VAL 1176 HA 0.06 0.38 0.90 -0.75 4.13 4.72 3dm0A1 VAL 1176 HB -0.51 0.01 0.07 -0.04 2.12 1.65 3dm0A1 VAL 1176 HG13 -0.23 -0.01 -0.23 -0.04 0.97 0.46 3dm0A1 VAL 1176 HG23 0.02 -0.01 -0.21 -0.04 0.95 0.71 3dm0A1 LYS 1177 H 0.15 0.38 0.30 -0.55 8.42 8.69 3dm0A1 LYS 1177 HA -0.30 0.32 1.17 -0.75 4.32 4.76 3dm0A1 LYS 1177 HB2 0.29 -0.07 0.00 -0.04 1.87 2.06 3dm0A1 LYS 1177 HB3 -0.88 0.07 -0.05 -0.04 1.79 0.88 3dm0A1 LYS 1177 HG2 -0.29 0.05 -0.02 -0.04 1.46 1.15 3dm0A1 LYS 1177 HG3 -0.03 -0.14 -0.43 -0.04 1.46 0.81 3dm0A1 LYS 1177 HD2 -0.62 -0.14 -0.23 -0.04 1.69 0.66 3dm0A1 LYS 1177 HD3 -0.30 0.04 -0.10 -0.04 1.68 1.28 3dm0A1 LYS 1177 HE2 -0.09 0.45 -0.24 -0.04 2.99 3.08 3dm0A1 LYS 1177 HE3 -0.18 -0.05 -0.07 -0.04 2.99 2.65 3dm0A1 VAL 1178 H -0.50 0.62 0.36 -0.55 8.24 8.17 3dm0A1 VAL 1178 HA -0.09 0.22 0.97 -0.75 4.13 4.48 3dm0A1 VAL 1178 HB -0.23 -0.07 0.11 -0.04 2.12 1.88 3dm0A1 VAL 1178 HG13 -0.05 0.02 -0.12 -0.04 0.97 0.78 3dm0A1 VAL 1178 HG23 -0.18 0.02 -0.17 -0.04 0.95 0.58 3dm0A1 TRP 1179 H 0.17 0.57 0.34 -0.55 7.97 8.50 3dm0A1 TRP 1179 HA -0.04 0.13 1.12 -0.75 4.62 5.07 3dm0A1 TRP 1179 HB2 -0.05 -0.10 -0.11 -0.04 3.23 2.93 3dm0A1 TRP 1179 HB3 -0.05 0.07 -0.23 -0.04 3.23 2.98 3dm0A1 TRP 1179 HD1 -0.04 0.25 -0.26 -0.04 7.22 7.14 3dm0A1 TRP 1179 HE1 0.01 -0.03 -0.23 -0.04 10.20 9.92 3dm0A1 TRP 1179 HE3 -0.04 0.07 -0.55 -0.04 7.59 7.03 3dm0A1 TRP 1179 HZ2 -0.31 -0.03 -0.14 -0.04 7.44 6.92 3dm0A1 TRP 1179 HZ3 -0.03 -0.04 -0.14 -0.04 7.13 6.88 3dm0A1 TRP 1179 HH2 -0.11 0.09 -0.35 -0.04 7.19 6.78 3dm0A1 ASN 1180 H 0.15 0.58 0.16 -0.55 8.53 8.88 3dm0A1 ASN 1180 HA 0.07 0.28 0.69 -0.75 4.76 5.04 3dm0A1 ASN 1180 HB2 0.03 0.13 0.09 -0.04 2.88 3.10 3dm0A1 ASN 1180 HB3 0.05 -0.20 0.20 -0.04 2.79 2.80 3dm0A1 ASN 1180 HD21 0.02 0.03 0.01 -0.04 7.03 7.04 3dm0A1 ASN 1180 HD22 0.01 0.08 -0.00 -0.04 7.74 7.79 3dm0A1 LEU 1181 H 0.09 1.20 0.28 -0.55 8.37 9.40 3dm0A1 LEU 1181 HA 0.04 0.07 0.33 -0.75 4.35 4.04 3dm0A1 SER 1182 H 0.04 0.10 -0.22 -0.55 8.46 7.83 3dm0A1 SER 1182 HA 0.02 0.12 0.46 -0.75 4.49 4.34 3dm0A1 SER 1182 HB2 0.01 -0.08 0.09 -0.04 3.95 3.93 3dm0A1 SER 1182 HB3 0.01 0.05 0.00 -0.04 3.93 3.95 3dm0A1 ASN 1183 H -0.00 0.03 -0.08 -0.55 8.53 7.93 3dm0A1 ASN 1183 HA -0.06 0.26 0.79 -0.75 4.76 5.00 3dm0A1 ASN 1183 HB2 -0.01 0.04 0.10 -0.04 2.88 2.96 3dm0A1 ASN 1183 HB3 -0.01 0.02 -0.02 -0.04 2.79 2.74 3dm0A1 ASN 1183 HD21 0.01 0.05 -0.03 -0.04 7.03 7.02 3dm0A1 ASN 1183 HD22 0.01 0.04 -0.02 -0.04 7.74 7.73 3dm0A1 CYS 1184 H -0.05 0.20 -0.30 -0.55 8.50 7.80 3dm0A1 CYS 1184 HA -0.05 0.12 0.22 -0.75 4.58 4.12 3dm0A1 CYS 1184 HB2 -0.73 0.21 -0.10 -0.04 2.97 2.31 3dm0A1 CYS 1184 HB3 -0.54 -0.09 0.06 -0.04 2.97 2.35 3dm0A1 LYS 1185 H 0.05 -0.08 -0.40 -0.55 8.42 7.43 3dm0A1 LYS 1185 HA 0.16 0.13 0.61 -0.75 4.32 4.47 3dm0A1 LEU 1186 H 0.13 0.11 0.10 -0.55 8.37 8.16 3dm0A1 LEU 1186 HA -0.63 0.04 0.41 -0.75 4.35 3.42 3dm0A1 LEU 1186 HB2 -0.41 0.04 0.02 -0.04 1.64 1.25 3dm0A1 LEU 1186 HB3 -0.14 -0.05 0.12 -0.04 1.64 1.52 3dm0A1 LEU 1186 HG -0.34 0.00 -0.54 -0.04 1.64 0.72 3dm0A1 LEU 1186 HD13 -1.09 0.01 -0.12 -0.04 0.93 -0.32 3dm0A1 LEU 1186 HD23 -0.25 0.07 -0.04 -0.04 0.89 0.63 3dm0A1 ARG 1187 H -0.44 0.51 0.43 -0.55 8.46 8.40 3dm0A1 ARG 1187 HA -0.12 0.06 0.56 -0.75 4.34 4.08 3dm0A1 ARG 1187 HB2 -0.23 0.07 0.01 -0.04 1.90 1.71 3dm0A1 ARG 1187 HB3 -0.13 0.05 -0.08 -0.04 1.80 1.60 3dm0A1 ARG 1187 HG2 -0.05 -0.01 -0.05 -0.04 1.67 1.52 3dm0A1 ARG 1187 HG3 -0.05 -0.12 -0.20 -0.04 1.67 1.26 3dm0A1 ARG 1187 HD2 -0.05 -0.03 -0.20 -0.04 3.22 2.90 3dm0A1 ARG 1187 HD3 -0.04 0.07 -0.10 -0.04 3.22 3.11 3dm0A1 SER 1188 H -0.39 0.26 0.26 -0.55 8.46 8.04 3dm0A1 SER 1188 HA -0.20 0.12 0.55 -0.75 4.49 4.21 3dm0A1 SER 1188 HB2 -0.15 0.07 0.00 -0.04 3.95 3.83 3dm0A1 SER 1188 HB3 -0.12 0.17 -0.04 -0.04 3.93 3.89 3dm0A1 THR 1189 H -0.18 0.23 0.18 -0.55 8.28 7.97 3dm0A1 THR 1189 HA -0.25 0.20 1.02 -0.75 4.39 4.61 3dm0A1 THR 1189 HB -0.11 -0.03 0.14 -0.04 4.32 4.28 3dm0A1 THR 1189 HG23 -0.07 -0.02 -0.15 -0.04 1.22 0.94 3dm0A1 LEU 1190 H -0.29 1.03 0.34 -0.55 8.37 8.91 3dm0A1 LEU 1190 HA -0.27 0.19 0.92 -0.75 4.35 4.44 3dm0A1 LEU 1190 HB2 -1.01 -0.09 0.07 -0.04 1.64 0.57 3dm0A1 LEU 1190 HB3 -2.27 -0.00 -0.13 -0.04 1.64 -0.81 3dm0A1 LEU 1190 HG -0.47 0.01 -0.30 -0.04 1.64 0.84 3dm0A1 LEU 1190 HD13 -0.93 -0.02 -0.27 -0.04 0.93 -0.34 3dm0A1 LEU 1190 HD23 -0.19 0.03 -0.31 -0.04 0.89 0.37 3dm0A1 ALA 1191 H 0.02 0.25 0.15 -0.55 8.40 8.27 3dm0A1 ALA 1191 HA 0.09 0.16 0.86 -0.75 4.34 4.69 3dm0A1 ALA 1191 HB3 0.05 0.02 0.03 -0.04 1.41 1.47 3dm0A1 GLY 1192 H 0.15 0.00 0.26 -0.55 8.43 8.29 3dm0A1 GLY 1192 HA2 0.03 0.04 0.27 -0.51 4.01 3.84 3dm0A1 GLY 1192 HA3 0.09 0.08 0.41 -0.51 4.01 4.08 3dm0A1 HIS 1193 H 0.16 0.05 0.26 -0.55 8.41 8.34 3dm0A1 HIS 1193 HA 0.00 0.11 0.90 -0.75 4.63 4.89 3dm0A1 HIS 1193 HB2 0.05 0.32 0.17 -0.04 3.26 3.77 3dm0A1 HIS 1193 HB3 -0.03 -0.07 0.03 -0.04 3.20 3.09 3dm0A1 HIS 1193 HD2 0.25 0.09 -0.17 -0.04 6.97 7.09 3dm0A1 HIS 1193 HE1 -0.01 0.33 -0.07 -0.04 7.75 7.97 3dm0A1 THR 1194 H 0.05 0.09 0.17 -0.55 8.28 8.03 3dm0A1 THR 1194 HA 0.00 0.22 0.72 -0.75 4.39 4.58 3dm0A1 THR 1194 HB -0.03 0.03 0.13 -0.04 4.32 4.42 3dm0A1 THR 1194 HG23 -0.02 0.02 -0.05 -0.04 1.22 1.13 3dm0A1 GLY 1195 H -0.05 0.02 -0.05 -0.55 8.43 7.81 3dm0A1 GLY 1195 HA2 -0.16 0.28 0.78 -0.51 4.01 4.40 3dm0A1 GLY 1195 HA3 -0.32 -0.08 0.32 -0.51 4.01 3.43 3dm0A1 TYR 1196 H -0.58 0.13 0.18 -0.55 8.29 7.47 3dm0A1 TYR 1196 HA -0.32 0.08 0.54 -0.75 4.56 4.10 3dm0A1 TYR 1196 HB2 -1.68 0.05 0.03 -0.04 3.06 1.42 3dm0A1 TYR 1196 HB3 -1.01 0.11 0.21 -0.04 2.98 2.26 3dm0A1 TYR 1196 HD2 -0.86 0.04 -0.17 -0.04 7.15 6.12 3dm0A1 TYR 1196 HE2 -0.34 0.09 -0.01 -0.04 6.85 6.55 3dm0A1 VAL 1197 H -0.08 0.57 0.23 -0.55 8.24 8.40 3dm0A1 VAL 1197 HA -0.24 0.07 0.60 -0.75 4.13 3.80 3dm0A1 VAL 1197 HB -0.01 -0.17 0.24 -0.04 2.12 2.14 3dm0A1 VAL 1197 HG13 -0.06 -0.02 -0.05 -0.04 0.97 0.80 3dm0A1 VAL 1197 HG23 -0.15 0.00 -0.18 -0.04 0.95 0.58 3dm0A1 SER 1198 H -0.00 0.36 0.40 -0.55 8.46 8.67 3dm0A1 SER 1198 HA 0.20 0.09 0.75 -0.75 4.49 4.78 3dm0A1 SER 1198 HB2 0.15 0.07 0.12 -0.04 3.95 4.25 3dm0A1 SER 1198 HB3 0.17 -0.13 0.01 -0.04 3.93 3.94 3dm0A1 THR 1199 H 0.04 0.34 0.08 -0.55 8.28 8.19 3dm0A1 THR 1199 HA 0.09 0.17 0.64 -0.75 4.39 4.54 3dm0A1 THR 1199 HB 0.09 0.33 -0.30 -0.04 4.32 4.40 3dm0A1 THR 1199 HG23 0.07 -0.05 -0.48 -0.04 1.22 0.72 3dm0A1 VAL 1200 H 0.11 0.33 0.10 -0.55 8.24 8.22 3dm0A1 VAL 1200 HA 0.15 0.34 0.88 -0.75 4.13 4.74 3dm0A1 VAL 1200 HB 0.11 -0.06 -0.18 -0.04 2.12 1.94 3dm0A1 VAL 1200 HG13 0.13 0.00 -0.32 -0.04 0.97 0.74 3dm0A1 VAL 1200 HG23 0.09 -0.03 -0.40 -0.04 0.95 0.57 3dm0A1 ALA 1201 H 0.22 0.62 0.27 -0.55 8.40 8.97 3dm0A1 ALA 1201 HA 0.23 0.23 0.88 -0.75 4.34 4.93 3dm0A1 ALA 1201 HB3 0.25 -0.00 -0.18 -0.04 1.41 1.44 3dm0A1 VAL 1202 H 0.28 0.28 0.15 -0.55 8.24 8.40 3dm0A1 VAL 1202 HA 0.15 0.17 1.06 -0.75 4.13 4.76 3dm0A1 VAL 1202 HB 0.13 0.08 0.11 -0.04 2.12 2.39 3dm0A1 VAL 1202 HG13 0.04 0.08 0.01 -0.04 0.97 1.06 3dm0A1 VAL 1202 HG23 0.13 -0.01 -0.28 -0.04 0.95 0.75 3dm0A1 SER 1203 H -0.41 0.32 0.08 -0.55 8.46 7.91 3dm0A1 SER 1203 HA -0.98 0.15 0.39 -0.75 4.49 3.29 3dm0A1 SER 1203 HB2 -0.36 0.11 0.16 -0.04 3.95 3.83 3dm0A1 SER 1203 HB3 -0.89 0.06 0.12 -0.04 3.93 3.18 3dm0A1 PRO 1204 HA 0.02 0.15 0.54 -0.51 4.44 4.64 3dm0A1 PRO 1204 HB2 -0.01 0.06 0.10 -0.04 2.28 2.39 3dm0A1 PRO 1204 HB3 0.03 0.07 0.18 -0.04 2.02 2.25 3dm0A1 PRO 1204 HG2 -0.05 -0.06 0.10 -0.04 2.03 1.98 3dm0A1 PRO 1204 HG3 -0.02 0.29 0.12 -0.04 2.03 2.37 3dm0A1 PRO 1204 HD2 -0.18 -0.01 0.26 -0.04 3.68 3.71 3dm0A1 PRO 1204 HD3 0.01 0.19 0.18 -0.04 3.65 3.99 3dm0A1 ASP 1205 H -0.07 -0.04 -0.29 -0.55 8.40 7.45 3dm0A1 ASP 1205 HA -0.01 0.25 0.72 -0.75 4.63 4.85 3dm0A1 ASP 1205 HB2 -0.00 0.04 0.07 -0.04 2.71 2.77 3dm0A1 ASP 1205 HB3 -0.01 0.09 0.03 -0.04 2.70 2.77 3dm0A1 GLY 1206 H -0.05 0.19 -0.25 -0.55 8.43 7.77 3dm0A1 GLY 1206 HA2 0.00 0.11 0.29 -0.51 4.01 3.90 3dm0A1 GLY 1206 HA3 0.02 0.06 0.51 -0.51 4.01 4.09 3dm0A1 SER 1207 H -0.04 -0.07 -0.08 -0.55 8.46 7.72 3dm0A1 SER 1207 HA 0.02 0.16 0.80 -0.75 4.49 4.71 3dm0A1 SER 1207 HB2 0.02 0.01 0.02 -0.04 3.95 3.96 3dm0A1 SER 1207 HB3 0.01 0.08 -0.05 -0.04 3.93 3.93 3dm0A1 LEU 1208 H -0.08 -0.08 0.15 -0.55 8.37 7.82 3dm0A1 LEU 1208 HA 0.06 0.45 1.05 -0.75 4.35 5.17 3dm0A1 LEU 1208 HB2 -0.19 -0.11 0.06 -0.04 1.64 1.36 3dm0A1 LEU 1208 HB3 0.12 0.04 0.09 -0.04 1.64 1.84 3dm0A1 LEU 1208 HG 0.01 -0.13 -0.05 -0.04 1.64 1.44 3dm0A1 LEU 1208 HD13 0.15 0.02 -0.03 -0.04 0.93 1.02 3dm0A1 LEU 1208 HD23 0.05 0.05 -0.10 -0.04 0.89 0.84 3dm0A1 CYS 1209 H 0.22 0.36 0.23 -0.55 8.50 8.76 3dm0A1 CYS 1209 HA 0.29 0.23 0.79 -0.75 4.58 5.14 3dm0A1 CYS 1209 HB2 0.13 0.07 -0.18 -0.04 2.97 2.95 3dm0A1 CYS 1209 HB3 0.23 -0.09 -0.10 -0.04 2.97 2.97 3dm0A1 ALA 1210 H 0.46 0.46 0.23 -0.55 8.40 9.01 3dm0A1 ALA 1210 HA 0.22 0.34 0.93 -0.75 4.34 5.08 3dm0A1 ALA 1210 HB3 0.03 -0.02 -0.06 -0.04 1.41 1.32 3dm0A1 SER 1211 H 0.28 0.52 0.30 -0.55 8.46 9.01 3dm0A1 SER 1211 HA 0.19 0.30 0.99 -0.75 4.49 5.22 3dm0A1 SER 1211 HB2 0.28 0.00 0.04 -0.04 3.95 4.23 3dm0A1 SER 1211 HB3 0.40 -0.00 -0.15 -0.04 3.93 4.13 3dm0A1 GLY 1212 H 0.01 0.53 0.28 -0.55 8.43 8.70 3dm0A1 GLY 1212 HA2 -0.09 0.18 0.54 -0.51 4.01 4.13 3dm0A1 GLY 1212 HA3 0.01 0.06 0.23 -0.51 4.01 3.80 3dm0A1 GLY 1213 H -0.16 0.17 0.09 -0.55 8.43 7.99 3dm0A1 GLY 1213 HA2 -0.08 0.27 0.50 -0.51 4.01 4.19 3dm0A1 GLY 1213 HA3 -0.25 0.22 0.68 -0.51 4.01 4.16 3dm0A1 LYS 1214 H -1.02 0.61 0.23 -0.55 8.42 7.69 3dm0A1 LYS 1214 HA -0.56 0.11 0.47 -0.75 4.32 3.58 3dm0A1 LYS 1214 HB2 -2.61 0.04 0.19 -0.04 1.87 -0.55 3dm0A1 LYS 1214 HB3 -1.09 -0.13 0.23 -0.04 1.79 0.76 3dm0A1 LYS 1214 HG2 -0.45 0.02 0.04 -0.04 1.46 1.03 3dm0A1 LYS 1214 HG3 -0.35 0.02 -0.31 -0.04 1.46 0.78 3dm0A1 LYS 1214 HD2 -0.16 0.04 -0.03 -0.04 1.69 1.50 3dm0A1 LYS 1214 HD3 -0.26 -0.02 0.14 -0.04 1.68 1.50 3dm0A1 LYS 1214 HE2 -0.22 -0.01 0.07 -0.04 2.99 2.78 3dm0A1 LYS 1214 HE3 -0.06 0.01 0.05 -0.04 2.99 2.95 3dm0A1 ASP 1215 H -0.28 0.09 -0.10 -0.55 8.40 7.56 3dm0A1 ASP 1215 HA -0.12 0.24 0.44 -0.75 4.63 4.43 3dm0A1 ASP 1215 HB2 -0.04 0.09 0.18 -0.04 2.71 2.91 3dm0A1 ASP 1215 HB3 -0.09 -0.01 0.05 -0.04 2.70 2.61 3dm0A1 GLY 1216 H -0.10 0.27 -0.59 -0.55 8.43 7.47 3dm0A1 GLY 1216 HA2 0.00 0.35 0.25 -0.51 4.01 4.11 3dm0A1 GLY 1216 HA3 0.00 -0.03 0.16 -0.51 4.01 3.64 3dm0A1 VAL 1217 H 0.02 0.03 -0.66 -0.55 8.24 7.08 3dm0A1 VAL 1217 HA -0.02 0.17 0.91 -0.75 4.13 4.43 3dm0A1 VAL 1217 HB 0.00 -0.03 -0.07 -0.04 2.12 1.98 3dm0A1 VAL 1217 HG13 -0.11 0.01 -0.19 -0.04 0.97 0.64 3dm0A1 VAL 1217 HG23 -0.02 0.07 -0.03 -0.04 0.95 0.92 3dm0A1 VAL 1218 H -0.18 0.53 0.18 -0.55 8.24 8.22 3dm0A1 VAL 1218 HA 0.01 0.32 0.93 -0.75 4.13 4.64 3dm0A1 VAL 1218 HB -0.51 -0.03 0.11 -0.04 2.12 1.65 3dm0A1 VAL 1218 HG13 -0.11 -0.00 -0.23 -0.04 0.97 0.58 3dm0A1 VAL 1218 HG23 -0.11 0.02 -0.14 -0.04 0.95 0.69 3dm0A1 LEU 1219 H 0.09 0.45 0.19 -0.55 8.37 8.55 3dm0A1 LEU 1219 HA -0.44 0.21 0.88 -0.75 4.35 4.24 3dm0A1 LEU 1219 HB2 -0.06 -0.04 0.03 -0.04 1.64 1.53 3dm0A1 LEU 1219 HB3 -1.29 0.02 -0.13 -0.04 1.64 0.20 3dm0A1 LEU 1219 HG -0.52 -0.03 -0.24 -0.04 1.64 0.81 3dm0A1 LEU 1219 HD13 -0.66 0.10 -0.27 -0.04 0.93 0.06 3dm0A1 LEU 1219 HD23 -0.45 0.01 -0.13 -0.04 0.89 0.28 3dm0A1 LEU 1220 H -0.61 0.57 0.31 -0.55 8.37 8.09 3dm0A1 LEU 1220 HA -0.13 0.21 0.90 -0.75 4.35 4.58 3dm0A1 LEU 1220 HB2 -0.46 0.05 -0.03 -0.04 1.64 1.15 3dm0A1 LEU 1220 HB3 -1.04 -0.06 0.14 -0.04 1.64 0.65 3dm0A1 LEU 1220 HG 0.06 -0.06 -0.09 -0.04 1.64 1.51 3dm0A1 LEU 1220 HD13 0.05 0.01 -0.10 -0.04 0.93 0.84 3dm0A1 LEU 1220 HD23 -0.15 0.02 -0.16 -0.04 0.89 0.56 3dm0A1 TRP 1221 H 0.26 0.78 0.36 -0.55 7.97 8.83 3dm0A1 TRP 1221 HA -0.09 0.20 1.01 -0.75 4.62 4.99 3dm0A1 TRP 1221 HB2 -0.01 -0.04 -0.17 -0.04 3.23 2.97 3dm0A1 TRP 1221 HB3 -0.04 0.02 -0.21 -0.04 3.23 2.96 3dm0A1 TRP 1221 HD1 0.03 0.36 -0.09 -0.04 7.22 7.47 3dm0A1 TRP 1221 HE1 0.07 -0.05 -0.16 -0.04 10.20 10.02 3dm0A1 TRP 1221 HE3 -0.05 -0.02 -0.49 -0.04 7.59 6.99 3dm0A1 TRP 1221 HZ2 -0.10 -0.04 -0.30 -0.04 7.44 6.96 3dm0A1 TRP 1221 HZ3 -0.06 0.07 -0.10 -0.04 7.13 7.00 3dm0A1 TRP 1221 HH2 -0.09 0.12 -0.81 -0.04 7.19 6.36 3dm0A1 ASP 1222 H 0.19 0.57 0.14 -0.55 8.40 8.75 3dm0A1 ASP 1222 HA 0.07 0.22 0.81 -0.75 4.63 4.98 3dm0A1 ASP 1222 HB2 0.04 0.10 0.04 -0.04 2.71 2.85 3dm0A1 ASP 1222 HB3 0.07 -0.12 0.25 -0.04 2.70 2.86 3dm0A1 LEU 1223 H 0.08 0.44 -0.01 -0.55 8.37 8.33 3dm0A1 LEU 1223 HA 0.03 -0.02 0.13 -0.75 4.35 3.74 3dm0A1 LEU 1223 HB2 0.03 0.05 -0.05 -0.04 1.64 1.64 3dm0A1 LEU 1223 HB3 0.03 0.06 -0.10 -0.04 1.64 1.58 3dm0A1 LEU 1223 HG 0.06 -0.03 -0.46 -0.04 1.64 1.17 3dm0A1 LEU 1223 HD13 0.04 -0.02 -0.19 -0.04 0.93 0.72 3dm0A1 LEU 1223 HD23 0.01 -0.02 -0.17 -0.04 0.89 0.67 3dm0A1 ALA 1224 H 0.03 0.10 -0.13 -0.55 8.40 7.86 3dm0A1 ALA 1224 HA 0.01 0.05 0.31 -0.75 4.34 3.96 3dm0A1 ALA 1224 HB3 0.02 -0.03 0.07 -0.04 1.41 1.43 3dm0A1 GLU 1225 H 0.03 -0.02 -0.07 -0.55 8.60 8.00 3dm0A1 GLU 1225 HA 0.01 0.06 0.41 -0.75 4.29 4.01 3dm0A1 GLY 1226 H 0.05 0.74 -0.02 -0.55 8.43 8.65 3dm0A1 GLY 1226 HA2 0.02 -0.04 0.11 -0.51 4.01 3.60 3dm0A1 GLY 1226 HA3 -0.01 0.15 0.63 -0.51 4.01 4.28 3dm0A1 LYS 1227 H 0.12 0.08 0.11 -0.55 8.42 8.18 3dm0A1 LYS 1227 HA 0.20 0.20 0.81 -0.75 4.32 4.79 3dm0A1 LYS 1228 H 0.11 0.15 0.12 -0.55 8.42 8.24 3dm0A1 LYS 1228 HA -0.46 0.04 0.41 -0.75 4.32 3.56 3dm0A1 LYS 1228 HB2 -0.43 0.04 0.06 -0.04 1.87 1.51 3dm0A1 LYS 1228 HB3 -0.15 0.01 0.08 -0.04 1.79 1.69 3dm0A1 LYS 1228 HG2 -0.30 0.04 -0.47 -0.04 1.46 0.69 3dm0A1 LYS 1228 HG3 -0.67 -0.03 -0.05 -0.04 1.46 0.67 3dm0A1 LYS 1228 HD2 -0.32 0.03 -0.05 -0.04 1.69 1.31 3dm0A1 LYS 1228 HD3 -0.17 0.02 -0.09 -0.04 1.68 1.39 3dm0A1 LYS 1228 HE2 -0.17 -0.00 -0.19 -0.04 2.99 2.59 3dm0A1 LYS 1228 HE3 -0.30 -0.03 -0.20 -0.04 2.99 2.42 3dm0A1 LEU 1229 H -0.46 0.57 0.43 -0.55 8.37 8.37 3dm0A1 LEU 1229 HA -0.06 0.16 0.91 -0.75 4.35 4.61 3dm0A1 LEU 1229 HB2 -0.58 0.10 0.08 -0.04 1.64 1.20 3dm0A1 LEU 1229 HB3 -0.10 -0.02 -0.00 -0.04 1.64 1.47 3dm0A1 LEU 1229 HG -0.07 -0.02 -0.20 -0.04 1.64 1.31 3dm0A1 LEU 1229 HD13 -0.02 -0.02 -0.26 -0.04 0.93 0.59 3dm0A1 LEU 1229 HD23 0.01 0.02 -0.05 -0.04 0.89 0.83 3dm0A1 TYR 1230 H -0.58 0.25 0.35 -0.55 8.29 7.77 3dm0A1 TYR 1230 HA -0.18 0.05 0.38 -0.75 4.56 4.05 3dm0A1 TYR 1230 HB2 -0.14 -0.00 0.18 -0.04 3.06 3.06 3dm0A1 TYR 1230 HB3 -0.11 0.23 0.22 -0.04 2.98 3.27 3dm0A1 TYR 1230 HD2 -0.14 0.23 -0.31 -0.04 7.15 6.89 3dm0A1 TYR 1230 HE2 -0.07 -0.02 -0.10 -0.04 6.85 6.62 3dm0A1 SER 1231 H -0.01 0.14 0.17 -0.55 8.46 8.22 3dm0A1 SER 1231 HA -0.23 0.27 0.93 -0.75 4.49 4.70 3dm0A1 SER 1231 HB2 -0.10 0.02 0.05 -0.04 3.95 3.88 3dm0A1 SER 1231 HB3 -0.14 -0.12 0.05 -0.04 3.93 3.68 3dm0A1 LEU 1232 H -0.24 0.11 0.03 -0.55 8.37 7.73 3dm0A1 LEU 1232 HA -0.35 0.12 0.55 -0.75 4.35 3.92 3dm0A1 LEU 1232 HB2 -0.79 -0.01 0.11 -0.04 1.64 0.90 3dm0A1 LEU 1232 HB3 -1.96 0.03 -0.01 -0.04 1.64 -0.34 3dm0A1 LEU 1232 HG -0.23 0.07 -0.44 -0.04 1.64 1.00 3dm0A1 LEU 1232 HD13 -0.66 -0.03 -0.16 -0.04 0.93 0.03 3dm0A1 LEU 1232 HD23 -0.45 0.01 0.06 -0.04 0.89 0.47 3dm0A1 GLU 1233 H -0.06 0.16 0.09 -0.55 8.60 8.24 3dm0A1 GLU 1233 HA 0.00 -0.01 0.55 -0.75 4.29 4.08 3dm0A1 GLU 1233 HB2 0.00 -0.00 0.12 -0.04 2.09 2.17 3dm0A1 GLU 1233 HB3 0.07 0.06 0.07 -0.04 1.99 2.16 3dm0A1 GLU 1233 HG2 0.03 0.05 -0.01 -0.04 2.34 2.37 3dm0A1 GLU 1233 HG3 0.06 -0.01 -0.10 -0.04 2.34 2.26 3dm0A1 ALA 1234 H 0.10 0.03 0.36 -0.55 8.40 8.34 3dm0A1 ALA 1234 HA 0.32 0.17 0.80 -0.75 4.34 4.88 3dm0A1 ALA 1234 HB3 0.31 0.08 0.07 -0.04 1.41 1.83 3dm0A1 ASN 1235 H 0.07 -0.07 0.21 -0.55 8.53 8.20 3dm0A1 ASN 1235 HA 0.04 0.01 0.31 -0.75 4.76 4.37 3dm0A1 ASN 1235 HB2 0.03 0.23 -0.03 -0.04 2.88 3.07 3dm0A1 ASN 1235 HB3 0.02 -0.01 0.17 -0.04 2.79 2.93 3dm0A1 ASN 1235 HD21 0.01 -0.00 -0.03 -0.04 7.03 6.96 3dm0A1 ASN 1235 HD22 0.01 0.02 0.01 -0.04 7.74 7.73 3dm0A1 SER 1236 H 0.09 0.14 -0.54 -0.55 8.46 7.61 3dm0A1 SER 1236 HA 0.10 0.15 0.80 -0.75 4.49 4.79 3dm0A1 SER 1236 HB2 0.30 0.16 -0.19 -0.04 3.95 4.18 3dm0A1 SER 1236 HB3 0.09 0.03 -0.10 -0.04 3.93 3.91 3dm0A1 VAL 1237 H -0.04 0.13 0.14 -0.55 8.24 7.93 3dm0A1 VAL 1237 HA -0.04 0.07 0.54 -0.75 4.13 3.94 3dm0A1 VAL 1237 HB 0.01 -0.06 0.12 -0.04 2.12 2.15 3dm0A1 VAL 1237 HG13 -0.04 0.04 -0.16 -0.04 0.97 0.76 3dm0A1 VAL 1237 HG23 -0.04 0.04 0.12 -0.04 0.95 1.04 3dm0A1 ILE 1238 H -0.01 0.26 0.29 -0.55 8.25 8.24 3dm0A1 ILE 1238 HA 0.10 0.18 0.60 -0.75 4.18 4.32 3dm0A1 ILE 1238 HB 0.02 -0.19 -0.07 -0.04 1.89 1.61 3dm0A1 ILE 1238 HG12 0.10 0.01 -0.20 -0.04 1.49 1.36 3dm0A1 ILE 1238 HG13 0.11 0.08 -0.17 -0.04 1.21 1.19 3dm0A1 ILE 1238 HG23 0.09 -0.00 -0.28 -0.04 0.93 0.70 3dm0A1 ILE 1238 HD13 0.02 0.01 -0.14 -0.04 0.88 0.73 3dm0A1 HIS 1239 H 0.19 0.90 0.38 -0.55 8.41 9.34 3dm0A1 HIS 1239 HA 0.09 0.11 0.92 -0.75 4.63 5.00 3dm0A1 HIS 1239 HB2 0.07 0.13 0.04 -0.04 3.26 3.46 3dm0A1 HIS 1239 HB3 0.11 0.07 0.09 -0.04 3.20 3.42 3dm0A1 HIS 1239 HD2 0.23 0.01 0.00 -0.04 6.97 7.17 3dm0A1 HIS 1239 HE1 -0.17 -0.08 -0.11 -0.04 7.75 7.35 3dm0A1 ALA 1240 H 0.13 0.17 0.23 -0.55 8.40 8.38 3dm0A1 ALA 1240 HA 0.10 0.14 0.55 -0.75 4.34 4.38 3dm0A1 ALA 1240 HB3 0.08 0.09 -0.08 -0.04 1.41 1.45 3dm0A1 LEU 1241 H 0.10 0.32 0.16 -0.55 8.37 8.40 3dm0A1 LEU 1241 HA 0.08 0.39 0.86 -0.75 4.35 4.92 3dm0A1 LEU 1241 HB2 0.10 -0.05 -0.25 -0.04 1.64 1.39 3dm0A1 LEU 1241 HB3 0.01 -0.05 -0.07 -0.04 1.64 1.49 3dm0A1 LEU 1241 HG 0.08 -0.06 -0.63 -0.04 1.64 0.99 3dm0A1 LEU 1241 HD13 0.09 -0.02 -0.58 -0.04 0.93 0.37 3dm0A1 LEU 1241 HD23 0.08 0.03 -0.11 -0.04 0.89 0.85 3dm0A1 CYS 1242 H 0.02 0.37 0.17 -0.55 8.50 8.52 3dm0A1 CYS 1242 HA 0.23 -0.01 0.42 -0.75 4.58 4.47 3dm0A1 CYS 1242 HB2 0.31 0.02 0.18 -0.04 2.97 3.44 3dm0A1 CYS 1242 HB3 0.17 0.30 -0.02 -0.04 2.97 3.38 3dm0A1 PHE 1243 H 0.54 0.15 0.13 -0.55 8.34 8.60 3dm0A1 PHE 1243 HA 0.26 0.18 0.88 -0.75 4.62 5.19 3dm0A1 PHE 1243 HB2 0.14 0.02 0.06 -0.04 3.15 3.33 3dm0A1 PHE 1243 HB3 0.13 0.16 0.16 -0.04 3.06 3.46 3dm0A1 PHE 1243 HD2 0.17 0.10 -0.15 -0.04 7.28 7.36 3dm0A1 PHE 1243 HE2 0.14 0.02 -0.41 -0.04 7.38 7.09 3dm0A1 PHE 1243 HZ 0.12 -0.05 -0.25 -0.04 7.32 7.10 3dm0A1 SER 1244 H 0.24 0.42 0.23 -0.55 8.46 8.81 3dm0A1 SER 1244 HA -0.81 0.09 0.54 -0.75 4.49 3.55 3dm0A1 SER 1244 HB2 -0.29 -0.04 0.03 -0.04 3.95 3.61 3dm0A1 SER 1244 HB3 -0.16 0.19 0.14 -0.04 3.93 4.06 3dm0A1 PRO 1245 HA -0.03 0.07 0.48 -0.51 4.44 4.46 3dm0A1 PRO 1245 HB2 -0.10 -0.02 -0.03 -0.04 2.28 2.09 3dm0A1 PRO 1245 HB3 0.00 0.14 0.14 -0.04 2.02 2.27 3dm0A1 PRO 1245 HG2 0.11 0.14 0.07 -0.04 2.03 2.30 3dm0A1 PRO 1245 HG3 0.13 0.05 0.05 -0.04 2.03 2.22 3dm0A1 PRO 1245 HD2 -0.61 0.02 0.25 -0.04 3.68 3.30 3dm0A1 PRO 1245 HD3 -0.49 0.12 0.26 -0.04 3.65 3.49 3dm0A1 ASN 1246 H -0.36 -0.03 -0.18 -0.55 8.53 7.42 3dm0A1 ASN 1246 HA -0.21 0.24 0.94 -0.75 4.76 4.97 3dm0A1 ASN 1246 HB2 -0.30 -0.04 0.06 -0.04 2.88 2.56 3dm0A1 ASN 1246 HB3 -0.19 0.07 0.01 -0.04 2.79 2.64 3dm0A1 ASN 1246 HD21 -0.15 0.23 0.08 -0.04 7.03 7.14 3dm0A1 ASN 1246 HD22 -0.14 0.01 -0.06 -0.04 7.74 7.52 3dm0A1 ARG 1247 H -0.57 0.08 0.09 -0.55 8.46 7.51 3dm0A1 ARG 1247 HA -0.49 0.05 0.34 -0.75 4.34 3.49 3dm0A1 TYR 1248 H -0.13 0.12 0.12 -0.55 8.29 7.85 3dm0A1 TYR 1248 HA 0.09 0.19 0.48 -0.75 4.56 4.56 3dm0A1 TYR 1248 HB2 0.10 -0.03 0.18 -0.04 3.06 3.27 3dm0A1 TYR 1248 HB3 0.16 -0.13 0.20 -0.04 2.98 3.17 3dm0A1 TYR 1248 HD2 0.05 -0.02 0.02 -0.04 7.15 7.16 3dm0A1 TYR 1248 HE2 0.01 0.00 -0.01 -0.04 6.85 6.82 3dm0A1 TRP 1249 H 0.18 0.84 -0.21 -0.55 7.97 8.23 3dm0A1 TRP 1249 HA 0.18 0.26 1.11 -0.75 4.62 5.42 3dm0A1 TRP 1249 HB2 -0.03 -0.02 -0.01 -0.04 3.23 3.13 3dm0A1 TRP 1249 HB3 0.13 0.05 -0.12 -0.04 3.23 3.24 3dm0A1 TRP 1249 HD1 0.12 0.04 -0.51 -0.04 7.22 6.83 3dm0A1 TRP 1249 HE1 0.06 -0.00 -0.10 -0.04 10.20 10.12 3dm0A1 TRP 1249 HE3 -0.02 -0.00 -0.11 -0.04 7.59 7.42 3dm0A1 TRP 1249 HZ2 0.02 0.02 -0.05 -0.04 7.44 7.40 3dm0A1 TRP 1249 HZ3 0.14 0.02 -0.08 -0.04 7.13 7.18 3dm0A1 TRP 1249 HH2 0.05 0.03 -0.06 -0.04 7.19 7.17 3dm0A1 LEU 1250 H 0.33 0.57 0.25 -0.55 8.37 8.98 3dm0A1 LEU 1250 HA 0.00 0.15 0.87 -0.75 4.35 4.62 3dm0A1 LEU 1250 HB2 0.09 -0.01 -0.13 -0.04 1.64 1.54 3dm0A1 LEU 1250 HB3 0.28 -0.04 0.04 -0.04 1.64 1.88 3dm0A1 LEU 1250 HG 0.12 0.05 -0.35 -0.04 1.64 1.42 3dm0A1 LEU 1250 HD13 -0.77 0.00 -0.12 -0.04 0.93 0.00 3dm0A1 LEU 1250 HD23 -0.09 -0.01 -0.18 -0.04 0.89 0.57 3dm0A1 CYS 1251 H 0.14 0.65 0.24 -0.55 8.50 8.99 3dm0A1 CYS 1251 HA 0.08 0.30 1.04 -0.75 4.58 5.25 3dm0A1 CYS 1251 HB2 0.16 -0.01 -0.08 -0.04 2.97 3.00 3dm0A1 CYS 1251 HB3 0.03 0.00 -0.13 -0.04 2.97 2.84 3dm0A1 ALA 1252 H -0.02 0.64 0.19 -0.55 8.40 8.67 3dm0A1 ALA 1252 HA 0.10 0.30 1.05 -0.75 4.34 5.03 3dm0A1 ALA 1252 HB3 0.30 -0.02 -0.09 -0.04 1.41 1.56 3dm0A1 ALA 1253 H 0.05 0.65 0.12 -0.55 8.40 8.67 3dm0A1 ALA 1253 HA -0.05 0.05 0.51 -0.75 4.34 4.10 3dm0A1 ALA 1253 HB3 0.01 -0.01 -0.20 -0.04 1.41 1.17 3dm0A1 THR 1254 H -0.04 0.43 0.27 -0.55 8.28 8.40 3dm0A1 THR 1254 HA -0.01 0.32 1.05 -0.75 4.39 5.00 3dm0A1 THR 1254 HB 0.01 -0.06 -0.15 -0.04 4.32 4.08 3dm0A1 THR 1254 HG23 0.07 0.03 -0.28 -0.04 1.22 1.01 3dm0A1 GLU 1255 H -0.25 0.36 0.14 -0.55 8.60 8.31 3dm0A1 GLU 1255 HA -0.56 0.05 0.41 -0.75 4.29 3.43 3dm0A1 GLU 1255 HB2 -0.47 -0.07 0.13 -0.04 2.09 1.65 3dm0A1 GLU 1255 HB3 -0.54 0.01 0.08 -0.04 1.99 1.50 3dm0A1 GLU 1255 HG2 -2.07 -0.00 -0.01 -0.04 2.34 0.21 3dm0A1 GLU 1255 HG3 -0.69 0.12 0.03 -0.04 2.34 1.76 3dm0A1 HIS 1256 H -0.07 0.05 -0.50 -0.55 8.41 7.34 3dm0A1 HIS 1256 HA 0.00 0.22 0.90 -0.75 4.63 4.99 3dm0A1 HIS 1256 HB2 -0.03 0.02 0.02 -0.04 3.26 3.24 3dm0A1 HIS 1256 HB3 -0.02 0.01 0.16 -0.04 3.20 3.31 3dm0A1 HIS 1256 HD2 0.01 0.04 0.03 -0.04 6.97 7.00 3dm0A1 HIS 1256 HE1 -0.01 -0.00 0.02 -0.04 7.75 7.72 3dm0A1 GLY 1257 H 0.04 0.25 -0.23 -0.55 8.43 7.94 3dm0A1 GLY 1257 HA2 0.03 0.13 0.38 -0.51 4.01 4.04 3dm0A1 GLY 1257 HA3 -0.04 0.15 0.57 -0.51 4.01 4.19 3dm0A1 ILE 1258 H -0.19 0.40 0.19 -0.55 8.25 8.10 3dm0A1 ILE 1258 HA -0.14 0.28 0.88 -0.75 4.18 4.45 3dm0A1 ILE 1258 HB -0.45 -0.10 0.16 -0.04 1.89 1.46 3dm0A1 ILE 1258 HG12 -0.13 -0.01 -0.09 -0.04 1.49 1.22 3dm0A1 ILE 1258 HG13 -0.09 0.02 -0.01 -0.04 1.21 1.09 3dm0A1 ILE 1258 HG23 -0.25 0.00 -0.29 -0.04 0.93 0.35 3dm0A1 ILE 1258 HD13 -0.26 -0.00 -0.13 -0.04 0.88 0.45 3dm0A1 LYS 1259 H -0.21 0.38 0.21 -0.55 8.42 8.24 3dm0A1 LYS 1259 HA -0.51 0.15 0.64 -0.75 4.32 3.84 3dm0A1 LYS 1259 HB2 -0.80 -0.07 0.09 -0.04 1.87 1.04 3dm0A1 LYS 1259 HB3 -1.26 0.01 0.03 -0.04 1.79 0.53 3dm0A1 LYS 1259 HG2 -0.14 0.07 -0.01 -0.04 1.46 1.34 3dm0A1 LYS 1259 HG3 -0.04 -0.02 0.01 -0.04 1.46 1.38 3dm0A1 LYS 1259 HD2 -0.23 -0.01 -0.01 -0.04 1.69 1.40 3dm0A1 LYS 1259 HD3 -0.24 -0.05 -0.13 -0.04 1.68 1.22 3dm0A1 LYS 1259 HE2 -0.01 0.00 -0.22 -0.04 2.99 2.72 3dm0A1 LYS 1259 HE3 0.03 0.10 0.01 -0.04 2.99 3.09 3dm0A1 ILE 1260 H -0.64 0.54 0.36 -0.55 8.25 7.95 3dm0A1 ILE 1260 HA -0.26 0.34 1.15 -0.75 4.18 4.66 3dm0A1 ILE 1260 HB -0.49 -0.12 0.17 -0.04 1.89 1.41 3dm0A1 ILE 1260 HG12 -0.16 0.00 -0.26 -0.04 1.49 1.03 3dm0A1 ILE 1260 HG13 -0.34 0.16 -0.38 -0.04 1.21 0.61 3dm0A1 ILE 1260 HG23 -0.46 0.00 -0.22 -0.04 0.93 0.21 3dm0A1 ILE 1260 HD13 -0.19 -0.02 -0.15 -0.04 0.88 0.48 3dm0A1 TRP 1261 H 0.26 0.49 0.22 -0.55 7.97 8.39 3dm0A1 TRP 1261 HA -0.09 0.24 0.84 -0.75 4.62 4.85 3dm0A1 TRP 1261 HB2 0.02 -0.03 -0.06 -0.04 3.23 3.12 3dm0A1 TRP 1261 HB3 0.01 -0.01 -0.23 -0.04 3.23 2.96 3dm0A1 TRP 1261 HD1 -0.03 0.01 -0.47 -0.04 7.22 6.69 3dm0A1 TRP 1261 HE1 -0.02 0.08 -0.09 -0.04 10.20 10.13 3dm0A1 TRP 1261 HE3 -0.02 0.09 -0.13 -0.04 7.59 7.49 3dm0A1 TRP 1261 HZ2 -0.02 0.30 -0.17 -0.04 7.44 7.51 3dm0A1 TRP 1261 HZ3 -0.03 -0.02 -0.22 -0.04 7.13 6.82 3dm0A1 TRP 1261 HH2 -0.02 -0.02 -0.13 -0.04 7.19 6.98 3dm0A1 ASP 1262 H 0.19 0.65 0.25 -0.55 8.40 8.94 3dm0A1 ASP 1262 HA 0.41 0.25 0.88 -0.75 4.63 5.42 3dm0A1 ASP 1262 HB2 0.21 0.10 0.06 -0.04 2.71 3.04 3dm0A1 ASP 1262 HB3 0.14 -0.02 0.25 -0.04 2.70 3.03 3dm0A1 LEU 1263 H 0.37 0.72 0.24 -0.55 8.37 9.16 3dm0A1 LEU 1263 HA 0.20 0.04 0.24 -0.75 4.35 4.07 3dm0A1 LEU 1263 HB2 0.32 0.03 0.01 -0.04 1.64 1.96 3dm0A1 LEU 1263 HB3 0.26 -0.00 0.06 -0.04 1.64 1.91 3dm0A1 LEU 1263 HG 0.38 0.04 -0.24 -0.04 1.64 1.78 3dm0A1 LEU 1263 HD13 0.53 -0.01 -0.16 -0.04 0.93 1.25 3dm0A1 LEU 1263 HD23 0.27 -0.02 -0.14 -0.04 0.89 0.97 3dm0A1 GLU 1264 H 0.12 -0.06 -0.76 -0.55 8.60 7.36 3dm0A1 GLU 1264 HA -0.11 0.21 0.78 -0.75 4.29 4.42 3dm0A1 GLU 1264 HB2 -0.18 -0.01 0.03 -0.04 2.09 1.89 3dm0A1 GLU 1264 HB3 0.04 -0.08 0.10 -0.04 1.99 2.00 3dm0A1 GLU 1264 HG2 -0.03 0.02 -0.18 -0.04 2.34 2.11 3dm0A1 GLU 1264 HG3 -0.11 0.04 0.03 -0.04 2.34 2.25 3dm0A1 SER 1265 H 0.06 0.03 0.13 -0.55 8.46 8.13 3dm0A1 SER 1265 HA -0.02 0.20 0.67 -0.75 4.49 4.59 3dm0A1 SER 1265 HB2 0.02 0.05 0.12 -0.04 3.95 4.10 3dm0A1 SER 1265 HB3 0.03 -0.00 0.08 -0.04 3.93 4.01 3dm0A1 LYS 1266 H 0.02 0.42 -0.09 -0.55 8.42 8.21 3dm0A1 LYS 1266 HA 0.01 -0.02 0.17 -0.75 4.32 3.72 3dm0A1 LYS 1266 HB2 -0.12 0.19 -0.22 -0.04 1.87 1.68 3dm0A1 LYS 1266 HB3 -0.13 -0.05 0.22 -0.04 1.79 1.80 3dm0A1 LYS 1266 HG2 -0.48 -0.03 -0.06 -0.04 1.46 0.85 3dm0A1 LYS 1266 HG3 -0.39 0.08 -0.25 -0.04 1.46 0.86 3dm0A1 LYS 1266 HD2 -1.08 -0.01 -0.04 -0.04 1.69 0.51 3dm0A1 LYS 1266 HD3 -0.35 0.00 -0.05 -0.04 1.68 1.25 3dm0A1 LYS 1266 HE2 -0.18 -0.03 0.08 -0.04 2.99 2.82 3dm0A1 LYS 1266 HE3 -0.24 0.14 0.06 -0.04 2.99 2.92 3dm0A1 SER 1267 H 0.11 0.01 -0.21 -0.55 8.46 7.83 3dm0A1 SER 1267 HA 0.15 0.22 0.89 -0.75 4.49 5.00 3dm0A1 SER 1267 HB2 0.04 0.13 -0.10 -0.04 3.95 3.99 3dm0A1 SER 1267 HB3 0.05 -0.11 -0.03 -0.04 3.93 3.81 3dm0A1 ILE 1268 H 0.04 0.17 0.14 -0.55 8.25 8.05 3dm0A1 ILE 1268 HA -0.39 0.12 0.57 -0.75 4.18 3.72 3dm0A1 ILE 1268 HB -0.15 0.00 0.10 -0.04 1.89 1.80 3dm0A1 ILE 1268 HG12 -1.23 -0.01 -0.11 -0.04 1.49 0.10 3dm0A1 ILE 1268 HG13 0.02 -0.02 0.00 -0.04 1.21 1.17 3dm0A1 ILE 1268 HG23 -0.40 -0.01 -0.13 -0.04 0.93 0.34 3dm0A1 ILE 1268 HD13 -0.13 0.03 -0.02 -0.04 0.88 0.71 3dm0A1 VAL 1269 H -0.37 0.95 0.49 -0.55 8.24 8.76 3dm0A1 VAL 1269 HA -0.15 0.20 0.94 -0.75 4.13 4.37 3dm0A1 VAL 1269 HB -0.60 0.02 -0.02 -0.04 2.12 1.48 3dm0A1 VAL 1269 HG13 -0.13 -0.01 0.06 -0.04 0.97 0.85 3dm0A1 VAL 1269 HG23 -0.07 0.01 -0.17 -0.04 0.95 0.68 3dm0A1 GLU 1270 H -0.38 0.20 0.23 -0.55 8.60 8.11 3dm0A1 GLU 1270 HA -0.22 0.10 0.49 -0.75 4.29 3.91 3dm0A1 GLU 1270 HB2 -0.39 -0.05 -0.02 -0.04 2.09 1.58 3dm0A1 GLU 1270 HB3 -0.30 0.00 0.01 -0.04 1.99 1.66 3dm0A1 GLU 1270 HG2 -0.31 0.31 -0.38 -0.04 2.34 1.91 3dm0A1 GLU 1270 HG3 -0.28 -0.06 -0.07 -0.04 2.34 1.89 3dm0A1 ASP 1271 H -0.21 0.22 -0.02 -0.55 8.40 7.84 3dm0A1 ASP 1271 HA -0.29 0.24 0.55 -0.75 4.63 4.38 3dm0A1 ASP 1271 HB2 -0.23 -0.02 -0.17 -0.04 2.71 2.25 3dm0A1 ASP 1271 HB3 -0.15 -0.00 0.11 -0.04 2.70 2.63 3dm0A1 LEU 1272 H -0.36 0.36 0.06 -0.55 8.37 7.88 3dm0A1 LEU 1272 HA -0.23 0.12 0.66 -0.75 4.35 4.14 3dm0A1 LEU 1272 HB2 -0.80 -0.11 0.13 -0.04 1.64 0.82 3dm0A1 LEU 1272 HB3 -1.21 0.11 -0.02 -0.04 1.64 0.48 3dm0A1 LEU 1272 HG -0.54 -0.03 -0.00 -0.04 1.64 1.03 3dm0A1 LEU 1272 HD13 -1.53 -0.00 -0.09 -0.04 0.93 -0.74 3dm0A1 LEU 1272 HD23 -0.42 0.01 -0.08 -0.04 0.89 0.35 3dm0A1 LYS 1273 H -0.03 0.19 0.21 -0.55 8.42 8.23 3dm0A1 LYS 1273 HA 0.05 0.11 0.72 -0.75 4.32 4.46 3dm0A1 LYS 1273 HB2 0.02 -0.00 0.04 -0.04 1.87 1.88 3dm0A1 LYS 1273 HB3 0.04 0.04 0.05 -0.04 1.79 1.88 3dm0A1 LYS 1273 HG2 0.02 0.00 -0.04 -0.04 1.46 1.40 3dm0A1 LYS 1273 HG3 0.04 0.02 -0.14 -0.04 1.46 1.33 3dm0A1 LYS 1273 HD2 -0.05 -0.10 -0.52 -0.04 1.69 0.99 3dm0A1 LYS 1273 HD3 -0.04 0.07 -0.05 -0.04 1.68 1.62 3dm0A1 LYS 1273 HE2 -0.06 -0.02 -0.06 -0.04 2.99 2.81 3dm0A1 LYS 1273 HE3 -0.02 -0.05 -0.04 -0.04 2.99 2.84 3dm0A1 VAL 1274 H 0.06 0.20 0.13 -0.55 8.24 8.08 3dm0A1 VAL 1274 HA 0.05 0.20 0.86 -0.75 4.13 4.49 3dm0A1 VAL 1274 HB -0.01 0.04 0.03 -0.04 2.12 2.13 3dm0A1 VAL 1274 HG13 -0.14 -0.01 -0.24 -0.04 0.97 0.54 3dm0A1 VAL 1274 HG23 -0.17 -0.01 -0.20 -0.04 0.95 0.53 3dm0A1 ASP 1275 H -0.02 0.26 0.02 -0.55 8.40 8.11 3dm0A1 ASP 1275 HA -0.00 0.17 0.87 -0.75 4.63 4.92 3dm0A1 ASP 1275 HB2 0.02 0.07 -0.12 -0.04 2.71 2.63 3dm0A1 ASP 1275 HB3 0.00 0.06 0.10 -0.04 2.70 2.82 3dm0A1 LEU 1276 H -0.02 0.21 0.04 -0.55 8.37 8.05 3dm0A1 LEU 1276 HA -0.05 0.07 0.36 -0.75 4.35 3.98 3dm0A1 LEU 1276 HB2 -0.02 -0.00 0.24 -0.04 1.64 1.82 3dm0A1 LEU 1276 HB3 -0.03 0.05 0.16 -0.04 1.64 1.78 3dm0A1 LEU 1276 HG -0.02 -0.06 -0.77 -0.04 1.64 0.75 3dm0A1 LEU 1276 HD13 -0.01 0.02 -3.55 -0.04 0.93 -2.65 3dm0A1 LEU 1276 HD23 -0.05 0.00 0.01 -0.04 0.89 0.82 3dm0A1 LYS 1277 H -0.02 -0.07 -0.54 -0.55 8.42 7.24 3dm0A1 LYS 1277 HA -0.02 0.21 0.49 -0.75 4.32 4.26 3dm0A1 LYS 1294 HA 0.03 -0.08 0.20 -0.75 4.32 3.71 3dm0A1 VAL 1295 H 0.05 0.08 0.08 -0.55 8.24 7.90 3dm0A1 VAL 1295 HA 0.07 0.11 0.64 -0.75 4.13 4.20 3dm0A1 ILE 1296 H 0.08 0.27 0.22 -0.55 8.25 8.27 3dm0A1 ILE 1296 HA -0.04 0.10 0.91 -0.75 4.18 4.40 3dm0A1 ILE 1296 HB 0.03 0.03 0.09 -0.04 1.89 2.00 3dm0A1 ILE 1296 HG12 -0.01 -0.02 -0.19 -0.04 1.49 1.23 3dm0A1 ILE 1296 HG13 0.01 0.20 -0.33 -0.04 1.21 1.05 3dm0A1 ILE 1296 HG23 0.05 -0.05 -0.14 -0.04 0.93 0.74 3dm0A1 ILE 1296 HD13 -0.03 -0.01 -0.08 -0.04 0.88 0.72 3dm0A1 TYR 1297 H -0.26 0.11 0.20 -0.55 8.29 7.79 3dm0A1 TYR 1297 HA 0.20 0.14 0.67 -0.75 4.56 4.81 3dm0A1 TYR 1297 HB2 -0.11 0.14 0.10 -0.04 3.06 3.16 3dm0A1 TYR 1297 HB3 -0.05 0.20 -0.15 -0.04 2.98 2.94 3dm0A1 TYR 1297 HD2 -0.21 0.20 -0.43 -0.04 7.15 6.67 3dm0A1 TYR 1297 HE2 -0.40 0.03 -0.11 -0.04 6.85 6.32 3dm0A1 CYS 1298 H 0.01 0.19 0.08 -0.55 8.50 8.24 3dm0A1 CYS 1298 HA -1.07 0.18 0.63 -0.75 4.58 3.57 3dm0A1 CYS 1298 HB2 -0.63 -0.01 0.00 -0.04 2.97 2.29 3dm0A1 CYS 1298 HB3 -0.18 -0.03 0.03 -0.04 2.97 2.75 3dm0A1 THR 1299 H -0.26 0.60 0.37 -0.55 8.28 8.44 3dm0A1 THR 1299 HA 0.08 0.15 0.81 -0.75 4.39 4.68 3dm0A1 THR 1299 HB 0.07 0.04 0.05 -0.04 4.32 4.44 3dm0A1 THR 1299 HG23 -0.06 -0.02 -0.19 -0.04 1.22 0.91 3dm0A1 SER 1300 H -0.11 0.21 0.24 -0.55 8.46 8.25 3dm0A1 SER 1300 HA 0.03 0.16 0.62 -0.75 4.49 4.55 3dm0A1 SER 1300 HB2 0.03 -0.12 -0.03 -0.04 3.95 3.79 3dm0A1 SER 1300 HB3 0.03 0.48 -0.21 -0.04 3.93 4.18 3dm0A1 LEU 1301 H 0.04 0.37 0.19 -0.55 8.37 8.42 3dm0A1 LEU 1301 HA 0.01 0.28 0.75 -0.75 4.35 4.63 3dm0A1 LEU 1301 HB2 -0.13 0.05 -0.06 -0.04 1.64 1.47 3dm0A1 LEU 1301 HB3 -0.06 0.04 -0.23 -0.04 1.64 1.35 3dm0A1 LEU 1301 HG -0.02 0.03 -0.38 -0.04 1.64 1.24 3dm0A1 LEU 1301 HD13 -0.08 -0.01 -0.41 -0.04 0.93 0.39 3dm0A1 LEU 1301 HD23 0.03 -0.01 -0.31 -0.04 0.89 0.55 3dm0A1 ASN 1302 H -0.00 0.63 0.25 -0.55 8.53 8.86 3dm0A1 ASN 1302 HA 0.12 0.07 0.65 -0.75 4.76 4.85 3dm0A1 ASN 1302 HB2 0.10 -0.02 -0.28 -0.04 2.88 2.64 3dm0A1 ASN 1302 HB3 0.15 -0.05 -0.13 -0.04 2.79 2.72 3dm0A1 ASN 1302 HD21 0.17 -0.01 0.17 -0.04 7.03 7.32 3dm0A1 ASN 1302 HD22 0.16 -0.06 0.06 -0.04 7.74 7.86 3dm0A1 TRP 1303 H 0.39 0.16 0.15 -0.55 7.97 8.11 3dm0A1 TRP 1303 HA 0.17 0.21 0.78 -0.75 4.62 5.03 3dm0A1 TRP 1303 HB2 0.14 0.04 0.13 -0.04 3.23 3.50 3dm0A1 TRP 1303 HB3 0.12 0.04 0.10 -0.04 3.23 3.46 3dm0A1 TRP 1303 HD1 0.16 0.14 -0.15 -0.04 7.22 7.33 3dm0A1 TRP 1303 HE1 0.18 -0.00 -0.31 -0.04 10.20 10.03 3dm0A1 TRP 1303 HE3 0.10 -0.05 -0.38 -0.04 7.59 7.21 3dm0A1 TRP 1303 HZ2 0.29 -0.03 -0.17 -0.04 7.44 7.49 3dm0A1 TRP 1303 HZ3 0.13 0.05 -0.41 -0.04 7.13 6.86 3dm0A1 TRP 1303 HH2 0.32 -0.01 -0.16 -0.04 7.19 7.30 3dm0A1 SER 1304 H 0.48 0.42 0.35 -0.55 8.46 9.16 3dm0A1 SER 1304 HA 0.33 0.13 0.56 -0.75 4.49 4.75 3dm0A1 SER 1304 HB2 0.27 0.07 0.13 -0.04 3.95 4.39 3dm0A1 SER 1304 HB3 0.44 0.10 0.14 -0.04 3.93 4.57 3dm0A1 ALA 1305 H 0.17 0.22 0.20 -0.55 8.40 8.45 3dm0A1 ALA 1305 HA 0.13 0.09 0.41 -0.75 4.34 4.21 3dm0A1 ALA 1305 HB3 0.08 0.05 0.19 -0.04 1.41 1.69 3dm0A1 ASP 1306 H 0.12 0.04 -0.22 -0.55 8.40 7.79 3dm0A1 ASP 1306 HA 0.03 0.22 0.59 -0.75 4.63 4.72 3dm0A1 ASP 1306 HB2 0.03 0.05 0.16 -0.04 2.71 2.90 3dm0A1 ASP 1306 HB3 0.05 0.07 0.07 -0.04 2.70 2.85 3dm0A1 GLY 1307 H 0.13 0.66 -0.40 -0.55 8.43 8.27 3dm0A1 GLY 1307 HA2 -0.04 0.03 0.34 -0.51 4.01 3.83 3dm0A1 GLY 1307 HA3 -0.19 0.01 0.45 -0.51 4.01 3.77 3dm0A1 SER 1308 H 0.15 -0.00 -0.41 -0.55 8.46 7.65 3dm0A1 SER 1308 HA 0.14 0.17 0.66 -0.75 4.49 4.70 3dm0A1 SER 1308 HB2 0.10 0.03 0.08 -0.04 3.95 4.13 3dm0A1 SER 1308 HB3 0.08 0.07 -0.02 -0.04 3.93 4.01 3dm0A1 THR 1309 H 0.38 -0.02 -0.03 -0.55 8.28 8.07 3dm0A1 THR 1309 HA 0.10 0.40 1.01 -0.75 4.39 5.14 3dm0A1 THR 1309 HB -0.02 -0.12 0.01 -0.04 4.32 4.14 3dm0A1 THR 1309 HG23 -0.74 0.04 -0.15 -0.04 1.22 0.33 3dm0A1 LEU 1310 H -0.25 0.63 0.18 -0.55 8.37 8.40 3dm0A1 LEU 1310 HA -0.69 0.15 0.83 -0.75 4.35 3.90 3dm0A1 LEU 1310 HB2 -1.97 -0.01 -0.14 -0.04 1.64 -0.51 3dm0A1 LEU 1310 HB3 -0.35 -0.05 0.05 -0.04 1.64 1.26 3dm0A1 LEU 1310 HG -0.30 0.04 -0.34 -0.04 1.64 1.00 3dm0A1 LEU 1310 HD13 -1.17 0.01 -0.25 -0.04 0.93 -0.52 3dm0A1 LEU 1310 HD23 -0.56 -0.01 -0.19 -0.04 0.89 0.09 3dm0A1 PHE 1311 H -0.00 0.62 0.20 -0.55 8.34 8.61 3dm0A1 PHE 1311 HA -0.13 0.16 0.73 -0.75 4.62 4.62 3dm0A1 PHE 1311 HB2 -0.05 0.09 0.04 -0.04 3.15 3.20 3dm0A1 PHE 1311 HB3 -0.09 -0.05 -0.11 -0.04 3.06 2.76 3dm0A1 PHE 1311 HD2 -0.09 0.07 -0.17 -0.04 7.28 7.05 3dm0A1 PHE 1311 HE2 0.09 -0.02 -0.16 -0.04 7.38 7.24 3dm0A1 PHE 1311 HZ 0.29 0.04 -0.16 -0.04 7.32 7.45 3dm0A1 SER 1312 H 0.08 0.32 0.11 -0.55 8.46 8.43 3dm0A1 SER 1312 HA 0.04 0.15 0.77 -0.75 4.49 4.70 3dm0A1 SER 1312 HB2 0.04 0.02 0.02 -0.04 3.95 3.99 3dm0A1 SER 1312 HB3 0.11 -0.01 -0.19 -0.04 3.93 3.80 3dm0A1 GLY 1313 H -0.03 0.36 0.14 -0.55 8.43 8.36 3dm0A1 GLY 1313 HA2 0.07 0.14 0.84 -0.51 4.01 4.55 3dm0A1 GLY 1313 HA3 -0.01 0.06 0.27 -0.51 4.01 3.83 3dm0A1 TYR 1314 H 0.14 0.38 0.26 -0.55 8.29 8.52 3dm0A1 TYR 1314 HA -0.07 0.30 1.02 -0.75 4.56 5.05 3dm0A1 TYR 1314 HB2 -0.05 0.13 0.07 -0.04 3.06 3.18 3dm0A1 TYR 1314 HB3 -0.08 -0.18 0.05 -0.04 2.98 2.74 3dm0A1 TYR 1314 HD2 -0.01 0.02 -0.35 -0.04 7.15 6.77 3dm0A1 TYR 1314 HE2 0.17 0.03 -0.17 -0.04 6.85 6.85 3dm0A1 THR 1315 H -0.14 0.36 0.26 -0.55 8.28 8.22 3dm0A1 THR 1315 HA -0.18 0.05 0.53 -0.75 4.39 4.03 3dm0A1 THR 1315 HB -0.24 0.04 0.13 -0.04 4.32 4.21 3dm0A1 THR 1315 HG23 -0.85 0.09 0.06 -0.04 1.22 0.48 3dm0A1 ASP 1316 H 0.01 0.04 -0.25 -0.55 8.40 7.65 3dm0A1 ASP 1316 HA -0.04 0.23 0.55 -0.75 4.63 4.62 3dm0A1 ASP 1316 HB2 -0.02 0.09 0.08 -0.04 2.71 2.82 3dm0A1 ASP 1316 HB3 -0.03 0.04 -0.00 -0.04 2.70 2.67 3dm0A1 GLY 1317 H -0.01 0.24 -0.65 -0.55 8.43 7.47 3dm0A1 GLY 1317 HA2 0.02 0.07 0.08 -0.51 4.01 3.68 3dm0A1 GLY 1317 HA3 0.04 0.18 0.16 -0.51 4.01 3.88 3dm0A1 VAL 1318 H 0.04 -0.06 -0.48 -0.55 8.24 7.18 3dm0A1 VAL 1318 HA 0.02 0.20 0.75 -0.75 4.13 4.35 3dm0A1 VAL 1318 HB -0.05 -0.11 -0.07 -0.04 2.12 1.85 3dm0A1 VAL 1318 HG13 -0.12 0.00 -0.30 -0.04 0.97 0.52 3dm0A1 VAL 1318 HG23 -0.03 0.05 -0.16 -0.04 0.95 0.77 3dm0A1 ILE 1319 H -0.10 0.61 0.28 -0.55 8.25 8.50 3dm0A1 ILE 1319 HA 0.03 0.23 0.99 -0.75 4.18 4.68 3dm0A1 ILE 1319 HB -0.40 0.01 0.20 -0.04 1.89 1.65 3dm0A1 ILE 1319 HG12 0.01 -0.01 -0.15 -0.04 1.49 1.30 3dm0A1 ILE 1319 HG13 0.02 0.04 -0.14 -0.04 1.21 1.09 3dm0A1 ILE 1319 HG23 -0.17 -0.01 -0.30 -0.04 0.93 0.40 3dm0A1 ILE 1319 HD13 -0.26 -0.02 -0.16 -0.04 0.88 0.40 3dm0A1 ARG 1320 H 0.08 0.65 0.27 -0.55 8.46 8.90 3dm0A1 ARG 1320 HA -0.39 0.21 1.06 -0.75 4.34 4.46 3dm0A1 ARG 1320 HB2 0.02 -0.02 0.04 -0.04 1.90 1.90 3dm0A1 ARG 1320 HB3 -0.88 0.07 -0.06 -0.04 1.80 0.89 3dm0A1 ARG 1320 HG2 -0.36 0.04 -0.21 -0.04 1.67 1.10 3dm0A1 ARG 1320 HG3 -0.25 -0.04 -0.29 -0.04 1.67 1.05 3dm0A1 ARG 1320 HD2 -1.19 -0.04 -0.17 -0.04 3.22 1.78 3dm0A1 ARG 1320 HD3 -0.47 0.05 -0.13 -0.04 3.22 2.63 3dm0A1 VAL 1321 H -0.58 0.81 0.33 -0.55 8.24 8.24 3dm0A1 VAL 1321 HA -0.59 0.20 0.86 -0.75 4.13 3.84 3dm0A1 VAL 1321 HB -0.76 -0.07 -0.02 -0.04 2.12 1.23 3dm0A1 VAL 1321 HG13 -1.27 0.01 -0.22 -0.04 0.97 -0.56 3dm0A1 VAL 1321 HG23 -0.60 -0.01 -0.26 -0.04 0.95 0.03 3dm0A1 TRP 1322 H -0.29 0.66 0.36 -0.55 7.97 8.15 3dm0A1 TRP 1322 HA -0.17 0.34 1.17 -0.75 4.62 5.20 3dm0A1 TRP 1322 HB2 -0.27 -0.10 0.04 -0.04 3.23 2.86 3dm0A1 TRP 1322 HB3 -0.11 -0.02 0.02 -0.04 3.23 3.08 3dm0A1 TRP 1322 HD1 -0.23 0.11 -0.19 -0.04 7.22 6.87 3dm0A1 TRP 1322 HE1 0.07 -0.04 -0.18 -0.04 10.20 10.01 3dm0A1 TRP 1322 HE3 -0.08 0.07 -0.43 -0.04 7.59 7.11 3dm0A1 TRP 1322 HZ2 -0.04 -0.04 -0.20 -0.04 7.44 7.12 3dm0A1 TRP 1322 HZ3 -0.07 0.00 -0.12 -0.04 7.13 6.90 3dm0A1 TRP 1322 HH2 -0.09 0.14 -0.11 -0.04 7.19 7.09 3dm0A1 GLY 1323 H 0.20 0.43 0.35 -0.55 8.43 8.87 3dm0A1 GLY 1323 HA2 0.24 -0.02 0.33 -0.51 4.01 4.05 3dm0A1 GLY 1323 HA3 0.10 0.24 0.68 -0.51 4.01 4.53 3dm0A1 ILE 1324 H 0.15 0.18 0.11 -0.55 8.25 8.14 3dm0A1 ILE 1324 HA 0.12 0.27 0.50 -0.75 4.18 4.31