============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 98 rings ring int. center anis. iso. PHE 7 1.000 -6.389 35.780 28.296 -99.200 -91.000 TRP 22 1.040 21.054 46.406 30.101 -99.200 -91.000 TRP6 22 1.020 19.769 44.446 29.877 -99.200 -91.000 TYR 36 0.840 28.329 21.794 32.657 -99.200 -91.000 TRP 41 1.040 24.462 31.284 34.526 -99.200 -91.000 TRP6 41 1.020 23.948 30.318 32.431 -99.200 -91.000 PHE 42 1.000 19.793 33.345 41.477 -99.200 -91.000 TYR 53 0.840 22.871 37.416 32.574 -99.200 -91.000 TYR 54 0.840 16.238 29.949 28.076 -99.200 -91.000 PHE 67 1.000 6.958 40.730 45.466 -99.200 -91.000 PHE 75 1.000 1.793 53.563 52.313 -99.200 -91.000 PHE 90 1.000 18.180 29.618 49.933 -99.200 -91.000 TYR 97 0.840 22.763 34.725 46.801 -99.200 -91.000 TYR 108 0.840 7.102 47.886 52.428 -99.200 -91.000 PHE 115 1.000 14.929 27.514 45.330 -99.200 -91.000 PHE 129 1.000 2.956 43.457 52.743 -99.200 -91.000 HIS 137 0.900 -7.197 41.407 55.903 -99.200 -91.000 TYR 139 0.840 0.303 48.175 54.876 -99.200 -91.000 TYR 142 0.840 -0.826 46.783 43.389 -99.200 -91.000 TYR 145 0.840 9.265 39.252 33.457 -99.200 -91.000 HIS 148 0.900 15.292 45.625 29.732 -99.200 -91.000 TYR 155 0.840 9.210 44.888 17.767 -99.200 -91.000 TYR 159 0.840 2.382 36.090 24.390 -99.200 -91.000 TYR 177 0.840 8.182 32.148 22.326 -99.200 -91.000 TRP 186 1.040 -0.533 36.059 37.905 -99.200 -91.000 TRP6 186 1.020 1.505 36.502 39.015 -99.200 -91.000 TYR 189 0.840 -4.526 39.253 33.274 -99.200 -91.000 TYR 193 0.840 3.144 49.754 24.895 -99.200 -91.000 TYR 194 0.840 10.652 52.563 32.092 -99.200 -91.000 HIS 212 0.900 -6.924 45.030 35.883 -99.200 -91.000 TYR 213 0.840 -3.767 48.947 28.929 -99.200 -91.000 PHE 234 1.000 3.557 36.343 47.037 -99.200 -91.000 PHE 240 1.000 14.076 32.628 31.635 -99.200 -91.000 TYR 259 0.840 10.316 27.031 48.576 -99.200 -91.000 TYR 266 0.840 20.315 26.824 43.806 -99.200 -91.000 TRP 270 1.040 25.100 26.012 43.751 -99.200 -91.000 TRP6 270 1.020 27.078 26.416 42.521 -99.200 -91.000 TYR 273 0.840 32.588 23.420 42.818 -99.200 -91.000 PHE 280 1.000 43.312 25.839 50.904 -99.200 -91.000 TYR 288 0.840 38.484 27.866 49.410 -99.200 -91.000 TYR 289 0.840 34.271 25.986 51.478 -99.200 -91.000 TYR 307 0.840 34.855 28.782 34.034 -99.200 -91.000 TRP 315 1.040 29.917 52.772 36.390 -99.200 -91.000 TRP6 315 1.020 31.872 51.854 35.419 -99.200 -91.000 TYR 327 0.840 33.481 44.561 33.061 -99.200 -91.000 HIS 328 0.900 27.210 40.008 30.802 -99.200 -91.000 TRP 331 1.040 38.967 40.640 28.117 -99.200 -91.000 TRP6 331 1.020 36.721 41.185 28.630 -99.200 -91.000 TYR 336 0.840 47.656 32.753 33.967 -99.200 -91.000 HIS 337 0.900 45.229 36.647 36.228 -99.200 -91.000 PHE 342 1.000 37.032 27.124 38.544 -99.200 -91.000 TYR 357 0.840 36.206 29.487 25.269 -99.200 -91.000 TRP 373 1.040 30.979 37.813 20.282 -99.200 -91.000 TRP6 373 1.020 29.270 39.242 21.069 -99.200 -91.000 TYR 379 0.840 32.963 42.720 21.460 -99.200 -91.000 TRP 380 1.040 36.651 45.717 21.953 -99.200 -91.000 TRP6 380 1.020 35.145 46.397 20.255 -99.200 -91.000 TYR 396 0.840 55.417 24.397 33.944 -99.200 -91.000 TYR 401 0.840 53.958 18.172 30.095 -99.200 -91.000 TYR 404 0.840 55.333 21.748 21.086 -99.200 -91.000 PHE 414 1.000 50.152 36.481 17.114 -99.200 -91.000 TRP 427 1.040 45.834 48.514 33.849 -99.200 -91.000 TRP6 427 1.020 44.841 46.805 35.159 -99.200 -91.000 TYR 433 0.840 59.501 47.945 23.515 -99.200 -91.000 TYR 450 0.840 58.713 21.270 31.837 -99.200 -91.000 TYR 458 0.840 64.996 17.022 22.537 -99.200 -91.000 TYR 464 0.840 58.910 27.940 21.123 -99.200 -91.000 TRP 471 1.040 62.064 39.002 23.613 -99.200 -91.000 TRP6 471 1.020 59.898 38.259 23.021 -99.200 -91.000 TYR 480 0.840 64.993 50.733 37.380 -99.200 -91.000 TYR 491 0.840 59.686 56.283 38.468 -99.200 -91.000 TYR 492 0.840 61.231 47.245 36.785 -99.200 -91.000 PHE 505 1.000 56.392 57.604 22.799 -99.200 -91.000 TYR 516 0.840 48.803 63.204 32.568 -99.200 -91.000 PHE 526 1.000 56.232 47.376 40.572 -99.200 -91.000 TRP 563 1.040 48.899 50.205 46.167 -99.200 -91.000 TRP6 563 1.020 48.373 48.623 47.849 -99.200 -91.000 TYR 564 0.840 43.626 56.161 42.972 -99.200 -91.000 TYR 566 0.840 46.204 53.990 34.160 -99.200 -91.000 HIS 568 0.900 47.773 62.092 36.197 -99.200 -91.000 TYR 571 0.840 36.721 51.099 33.116 -99.200 -91.000 TYR 580 0.840 33.503 54.899 32.326 -99.200 -91.000 HIS 581 0.900 26.782 57.841 32.030 -99.200 -91.000 TRP 589 1.040 40.641 48.946 39.585 -99.200 -91.000 TRP6 589 1.020 40.230 47.487 37.771 -99.200 -91.000 TYR 599 0.840 56.677 42.622 46.554 -99.200 -91.000 TYR 610 0.840 49.010 43.676 51.856 -99.200 -91.000 PHE 617 1.000 39.225 47.180 50.074 -99.200 -91.000 TRP 629 1.040 32.453 55.085 45.928 -99.200 -91.000 TRP6 629 1.020 32.560 56.879 44.396 -99.200 -91.000 TRP 644 1.040 42.433 39.066 37.653 -99.200 -91.000 TRP6 644 1.020 43.212 40.769 36.213 -99.200 -91.000 HIS 646 0.900 34.400 37.323 44.501 -99.200 -91.000 TYR 649 0.840 39.442 35.918 50.021 -99.200 -91.000 PHE 653 1.000 41.392 31.333 53.009 -99.200 -91.000 HIS 659 0.900 53.053 30.522 56.226 -99.200 -91.000 TYR 669 0.840 61.654 31.300 42.828 -99.200 -91.000 TYR 672 0.840 64.206 33.816 33.154 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lf6A1 SER 11 HA 0.00 -0.02 0.19 -0.75 4.49 3.92 1lf6A1 SER 11 HB2 0.00 0.01 0.05 -0.04 3.95 3.98 1lf6A1 SER 11 HB3 0.00 -0.12 0.13 -0.04 3.93 3.90 1lf6A1 ILE 12 H 0.00 0.20 0.14 -0.55 8.25 8.05 1lf6A1 ILE 12 HA 0.01 0.20 0.83 -0.75 4.18 4.47 1lf6A1 ILE 12 HB 0.00 0.07 -0.16 -0.04 1.89 1.76 1lf6A1 ILE 12 HG12 0.01 -0.08 -0.22 -0.04 1.49 1.16 1lf6A1 ILE 12 HG13 0.01 0.07 -0.00 -0.04 1.21 1.24 1lf6A1 ILE 12 HG23 0.00 -0.02 -0.09 -0.04 0.93 0.78 1lf6A1 ILE 12 HD13 0.00 -0.01 -0.16 -0.04 0.88 0.68 1lf6A1 LYS 13 H 0.01 0.14 0.08 -0.55 8.42 8.10 1lf6A1 LYS 13 HA 0.01 0.24 0.97 -0.75 4.32 4.79 1lf6A1 LYS 13 HB2 0.01 0.09 -0.03 -0.04 1.87 1.89 1lf6A1 LYS 13 HB3 0.02 -0.10 0.22 -0.04 1.79 1.89 1lf6A1 LYS 13 HG2 0.03 -0.02 -0.18 -0.04 1.46 1.24 1lf6A1 LYS 13 HG3 0.02 0.06 -0.02 -0.04 1.46 1.48 1lf6A1 LYS 13 HD2 0.01 0.04 -0.02 -0.04 1.69 1.69 1lf6A1 LYS 13 HD3 0.02 -0.06 0.01 -0.04 1.68 1.61 1lf6A1 LYS 13 HE2 0.02 -0.02 -0.06 -0.04 2.99 2.89 1lf6A1 LYS 13 HE3 0.02 0.03 -0.04 -0.04 2.99 2.96 1lf6A1 ILE 14 H 0.02 0.23 0.03 -0.55 8.25 7.98 1lf6A1 ILE 14 HA 0.04 0.40 1.05 -0.75 4.18 4.92 1lf6A1 ILE 14 HB 0.03 -0.01 -0.11 -0.04 1.89 1.76 1lf6A1 ILE 14 HG12 0.01 0.02 0.05 -0.04 1.49 1.53 1lf6A1 ILE 14 HG13 0.02 0.04 0.08 -0.04 1.21 1.30 1lf6A1 ILE 14 HG23 0.01 -0.02 -0.17 -0.04 0.93 0.71 1lf6A1 ILE 14 HD13 -0.00 -0.01 -0.09 -0.04 0.88 0.73 1lf6A1 ASP 15 H 0.08 0.54 0.35 -0.55 8.40 8.82 1lf6A1 ASP 15 HA 0.07 0.17 0.98 -0.75 4.63 5.10 1lf6A1 ASP 15 HB2 0.13 -0.04 0.16 -0.04 2.71 2.91 1lf6A1 ASP 15 HB3 0.12 0.06 0.00 -0.04 2.70 2.84 1lf6A1 ARG 16 H 0.07 0.18 0.16 -0.55 8.46 8.32 1lf6A1 ARG 16 HA -0.03 0.21 0.98 -0.75 4.34 4.74 1lf6A1 ARG 16 HB2 0.01 -0.06 -0.01 -0.04 1.90 1.80 1lf6A1 ARG 16 HB3 -0.00 -0.00 0.06 -0.04 1.80 1.81 1lf6A1 ARG 16 HG2 -0.10 -0.00 -0.13 -0.04 1.67 1.39 1lf6A1 ARG 16 HG3 -0.08 0.15 0.09 -0.04 1.67 1.79 1lf6A1 ARG 16 HD2 -0.13 -0.05 -0.08 -0.04 3.22 2.92 1lf6A1 ARG 16 HD3 -0.14 -0.02 -0.06 -0.04 3.22 2.96 1lf6A1 PHE 17 H -0.51 0.47 0.31 -0.55 8.34 8.06 1lf6A1 PHE 17 HA 0.03 0.11 0.73 -0.75 4.62 4.74 1lf6A1 PHE 17 HB2 0.05 -0.04 -0.02 -0.04 3.15 3.09 1lf6A1 PHE 17 HB3 0.04 0.09 -0.15 -0.04 3.06 2.99 1lf6A1 PHE 17 HD2 0.06 -0.07 -0.21 -0.04 7.28 7.02 1lf6A1 PHE 17 HE2 0.10 -0.00 -0.14 -0.04 7.38 7.30 1lf6A1 PHE 17 HZ -0.06 0.00 -0.10 -0.04 7.32 7.12 1lf6A1 ASN 18 H 0.13 0.22 0.01 -0.55 8.53 8.35 1lf6A1 ASN 18 HA 0.06 0.19 0.87 -0.75 4.76 5.12 1lf6A1 ASN 18 HB2 -0.01 0.02 -0.05 -0.04 2.88 2.79 1lf6A1 ASN 18 HB3 0.03 0.02 0.15 -0.04 2.79 2.96 1lf6A1 ASN 18 HD21 0.01 -0.01 -0.05 -0.04 7.03 6.94 1lf6A1 ASN 18 HD22 0.01 0.01 0.00 -0.04 7.74 7.73 1lf6A1 ASN 19 H 0.27 0.19 -0.10 -0.55 8.53 8.35 1lf6A1 ASN 19 HA 0.12 0.13 0.55 -0.75 4.76 4.81 1lf6A1 ASN 19 HB2 0.22 0.01 0.09 -0.04 2.88 3.16 1lf6A1 ASN 19 HB3 0.11 0.04 0.02 -0.04 2.79 2.92 1lf6A1 ASN 19 HD21 0.09 0.02 -0.06 -0.04 7.03 7.04 1lf6A1 ASN 19 HD22 0.10 0.05 -0.05 -0.04 7.74 7.80 1lf6A1 ILE 20 H 0.17 0.08 0.01 -0.55 8.25 7.96 1lf6A1 ILE 20 HA 0.12 0.20 0.78 -0.75 4.18 4.53 1lf6A1 ILE 20 HB 0.21 -0.06 0.05 -0.04 1.89 2.05 1lf6A1 ILE 20 HG12 0.10 0.09 -0.11 -0.04 1.49 1.53 1lf6A1 ILE 20 HG13 0.12 -0.21 -1.06 -0.04 1.21 0.01 1lf6A1 ILE 20 HG23 0.23 0.03 -0.08 -0.04 0.93 1.08 1lf6A1 ILE 20 HD13 0.08 0.02 -0.08 -0.04 0.88 0.86 1lf6A1 SER 21 H 0.08 0.21 0.10 -0.55 8.46 8.30 1lf6A1 SER 21 HA 0.02 0.07 0.86 -0.75 4.49 4.69 1lf6A1 SER 21 HB2 0.01 0.01 0.07 -0.04 3.95 4.00 1lf6A1 SER 21 HB3 -0.01 0.07 0.04 -0.04 3.93 3.99 1lf6A1 ALA 22 H -0.19 0.74 0.42 -0.55 8.40 8.82 1lf6A1 ALA 22 HA -1.77 -0.01 0.51 -0.75 4.34 2.32 1lf6A1 ALA 22 HB3 -0.53 0.03 0.22 -0.04 1.41 1.08 1lf6A1 VAL 23 H -0.44 0.12 0.20 -0.55 8.24 7.58 1lf6A1 VAL 23 HA -0.02 0.22 1.01 -0.75 4.13 4.58 1lf6A1 VAL 23 HB -0.01 -0.02 0.08 -0.04 2.12 2.13 1lf6A1 VAL 23 HG13 -0.03 0.04 -0.09 -0.04 0.97 0.85 1lf6A1 VAL 23 HG23 0.00 -0.00 -0.02 -0.04 0.95 0.89 1lf6A1 ASN 24 H -0.04 0.15 0.15 -0.55 8.53 8.24 1lf6A1 ASN 24 HA -0.08 0.07 0.37 -0.75 4.76 4.36 1lf6A1 ASN 24 HB2 -0.00 0.12 0.06 -0.04 2.88 3.01 1lf6A1 ASN 24 HB3 -0.04 0.04 0.19 -0.04 2.79 2.94 1lf6A1 ASN 24 HD21 0.01 0.02 -0.07 -0.04 7.03 6.95 1lf6A1 ASN 24 HD22 0.02 0.04 -0.18 -0.04 7.74 7.58 1lf6A1 GLY 25 H -0.30 0.02 -0.12 -0.55 8.43 7.48 1lf6A1 GLY 25 HA2 -1.25 0.07 0.41 -0.51 4.01 2.73 1lf6A1 GLY 25 HA3 -1.40 0.06 0.26 -0.51 4.01 2.42 1lf6A1 PRO 26 HA -0.75 0.06 0.36 -0.51 4.44 3.61 1lf6A1 PRO 26 HB2 -0.02 -0.16 0.29 -0.04 2.28 2.34 1lf6A1 PRO 26 HB3 -0.08 0.07 0.19 -0.04 2.02 2.16 1lf6A1 PRO 26 HG2 -0.06 0.22 0.01 -0.04 2.03 2.16 1lf6A1 PRO 26 HG3 -0.04 0.01 0.09 -0.04 2.03 2.05 1lf6A1 PRO 26 HD2 -0.12 0.14 0.36 -0.04 3.68 4.02 1lf6A1 PRO 26 HD3 -0.12 0.07 0.12 -0.04 3.65 3.68 1lf6A1 GLY 27 H -0.22 0.19 -0.19 -0.55 8.43 7.66 1lf6A1 GLY 27 HA2 0.01 0.07 0.29 -0.51 4.01 3.86 1lf6A1 GLY 27 HA3 0.12 0.13 0.75 -0.51 4.01 4.51 1lf6A1 GLU 28 H 0.02 0.50 0.18 -0.55 8.60 8.75 1lf6A1 GLU 28 HA 0.01 0.06 0.54 -0.75 4.29 4.15 1lf6A1 GLU 28 HB2 -0.08 0.01 0.09 -0.04 2.09 2.07 1lf6A1 GLU 28 HB3 -0.12 0.01 -0.03 -0.04 1.99 1.81 1lf6A1 GLU 28 HG2 0.03 0.10 0.09 -0.04 2.34 2.52 1lf6A1 GLU 28 HG3 -0.01 -0.04 0.10 -0.04 2.34 2.35 1lf6A1 GLU 29 H 0.05 0.07 0.16 -0.55 8.60 8.34 1lf6A1 GLU 29 HA 0.02 0.02 0.40 -0.75 4.29 3.98 1lf6A1 GLU 29 HB2 0.04 0.01 0.14 -0.04 2.09 2.24 1lf6A1 GLU 29 HB3 0.02 0.03 0.15 -0.04 1.99 2.15 1lf6A1 GLU 29 HG2 -0.00 -0.03 0.04 -0.04 2.34 2.31 1lf6A1 GLU 29 HG3 0.01 0.00 0.07 -0.04 2.34 2.38 1lf6A1 ASP 30 H -0.06 0.04 0.17 -0.55 8.40 8.00 1lf6A1 ASP 30 HA 0.01 0.18 0.67 -0.75 4.63 4.74 1lf6A1 ASP 30 HB2 -0.23 0.07 -0.12 -0.04 2.71 2.39 1lf6A1 ASP 30 HB3 -0.25 -0.05 -0.04 -0.04 2.70 2.32 1lf6A1 THR 31 H -0.13 0.31 0.19 -0.55 8.28 8.09 1lf6A1 THR 31 HA -0.07 0.25 0.78 -0.75 4.39 4.59 1lf6A1 THR 31 HB 0.05 -0.13 -0.39 -0.04 4.32 3.81 1lf6A1 THR 31 HG23 0.05 0.00 -0.14 -0.04 1.22 1.09 1lf6A1 TRP 32 H 0.23 0.42 0.08 -0.55 7.97 8.15 1lf6A1 TRP 32 HA 0.00 0.06 0.42 -0.75 4.62 4.35 1lf6A1 TRP 32 HB2 0.06 0.01 0.04 -0.04 3.23 3.30 1lf6A1 TRP 32 HB3 0.03 -0.07 0.08 -0.04 3.23 3.23 1lf6A1 TRP 32 HD1 0.09 0.09 -0.19 -0.04 7.22 7.17 1lf6A1 TRP 32 HE1 0.07 0.11 -0.30 -0.04 10.20 10.04 1lf6A1 TRP 32 HE3 -0.05 -0.03 -0.02 -0.04 7.59 7.45 1lf6A1 TRP 32 HZ2 0.06 0.21 -0.38 -0.04 7.44 7.28 1lf6A1 TRP 32 HZ3 -0.07 0.04 -0.34 -0.04 7.13 6.73 1lf6A1 TRP 32 HH2 0.07 0.09 -0.25 -0.04 7.19 7.05 1lf6A1 ALA 33 H 0.32 0.10 0.10 -0.55 8.40 8.37 1lf6A1 ALA 33 HA 0.09 0.11 0.45 -0.75 4.34 4.24 1lf6A1 ALA 33 HB3 0.09 0.02 0.08 -0.04 1.41 1.56 1lf6A1 SER 34 H 0.06 0.14 0.10 -0.55 8.46 8.21 1lf6A1 SER 34 HA 0.04 -0.11 0.41 -0.75 4.49 4.08 1lf6A1 SER 34 HB2 0.04 0.05 0.14 -0.04 3.95 4.15 1lf6A1 SER 34 HB3 0.02 0.06 0.12 -0.04 3.93 4.09 1lf6A1 ALA 35 H -0.10 0.01 0.19 -0.55 8.40 7.95 1lf6A1 ALA 35 HA -0.10 0.12 0.39 -0.75 4.34 3.99 1lf6A1 ALA 35 HB3 -0.33 0.04 -0.23 -0.04 1.41 0.86 1lf6A1 GLN 36 H -0.10 -0.06 -0.31 -0.55 8.47 7.46 1lf6A1 GLN 36 HA -0.14 0.09 0.52 -0.75 4.36 4.07 1lf6A1 GLN 36 HB2 -0.09 0.13 0.04 -0.04 2.15 2.19 1lf6A1 GLN 36 HB3 -0.05 -0.11 0.10 -0.04 2.02 1.92 1lf6A1 GLN 36 HG2 -0.02 0.01 -0.04 -0.04 2.40 2.32 1lf6A1 GLN 36 HG3 -0.03 -0.08 -0.27 -0.04 2.39 1.97 1lf6A1 GLN 36 HE21 -0.09 -0.01 -0.01 -0.04 6.97 6.82 1lf6A1 GLN 36 HE22 -0.12 0.01 0.02 -0.04 7.69 7.56 1lf6A1 LYS 37 H -0.10 0.16 0.06 -0.55 8.42 7.99 1lf6A1 LYS 37 HA -0.05 0.27 1.11 -0.75 4.32 4.90 1lf6A1 LYS 37 HB2 -0.09 -0.07 -0.09 -0.04 1.87 1.58 1lf6A1 LYS 37 HB3 -0.08 -0.01 0.09 -0.04 1.79 1.74 1lf6A1 LYS 37 HG2 -0.09 0.27 -0.12 -0.04 1.46 1.47 1lf6A1 LYS 37 HG3 -0.07 0.05 0.03 -0.04 1.46 1.43 1lf6A1 LYS 37 HD2 -0.01 -0.07 -0.12 -0.04 1.69 1.45 1lf6A1 LYS 37 HD3 -0.03 0.07 -0.47 -0.04 1.68 1.20 1lf6A1 LYS 37 HE2 -0.04 -0.10 -0.04 -0.04 2.99 2.78 1lf6A1 LYS 37 HE3 0.02 0.05 0.03 -0.04 2.99 3.05 1lf6A1 GLN 38 H -0.07 0.60 0.20 -0.55 8.47 8.66 1lf6A1 GLN 38 HA -0.04 0.02 0.53 -0.75 4.36 4.10 1lf6A1 GLN 38 HB2 -0.07 -0.03 -0.18 -0.04 2.15 1.83 1lf6A1 GLN 38 HB3 -0.05 0.02 -0.08 -0.04 2.02 1.86 1lf6A1 GLN 38 HG2 -0.01 0.04 -0.04 -0.04 2.40 2.35 1lf6A1 GLN 38 HG3 -0.02 -0.01 -0.06 -0.04 2.39 2.26 1lf6A1 GLN 38 HE21 0.02 -0.02 -0.21 -0.04 6.97 6.73 1lf6A1 GLN 38 HE22 0.01 0.09 -0.15 -0.04 7.69 7.60 1lf6A1 GLY 39 H -0.18 0.23 0.03 -0.55 8.43 7.97 1lf6A1 GLY 39 HA2 -0.21 0.15 0.31 -0.51 4.01 3.75 1lf6A1 GLY 39 HA3 -1.09 0.07 0.23 -0.51 4.01 2.72 1lf6A1 VAL 40 H -0.08 0.36 0.18 -0.55 8.24 8.15 1lf6A1 VAL 40 HA -0.29 0.24 0.92 -0.75 4.13 4.25 1lf6A1 VAL 40 HB -0.12 0.10 0.14 -0.04 2.12 2.19 1lf6A1 VAL 40 HG13 -0.11 -0.04 -0.14 -0.04 0.97 0.64 1lf6A1 VAL 40 HG23 -0.11 -0.01 -0.06 -0.04 0.95 0.72 1lf6A1 GLY 41 H -0.70 0.58 0.38 -0.55 8.43 8.13 1lf6A1 GLY 41 HA2 -0.11 0.11 0.62 -0.51 4.01 4.13 1lf6A1 GLY 41 HA3 -0.40 0.10 0.38 -0.51 4.01 3.57 1lf6A1 THR 42 H 0.43 0.37 0.27 -0.55 8.28 8.80 1lf6A1 THR 42 HA 0.20 0.09 0.56 -0.75 4.39 4.49 1lf6A1 THR 42 HB -0.20 0.06 0.03 -0.04 4.32 4.16 1lf6A1 THR 42 HG23 0.12 0.03 -0.17 -0.04 1.22 1.16 1lf6A1 ALA 43 H 0.04 0.22 0.19 -0.55 8.40 8.31 1lf6A1 ALA 43 HA -0.09 -0.00 0.53 -0.75 4.34 4.02 1lf6A1 ALA 43 HB3 -0.03 0.02 0.05 -0.04 1.41 1.40 1lf6A1 ASN 44 H -0.94 0.09 0.13 -0.55 8.53 7.26 1lf6A1 ASN 44 HA -0.95 0.21 0.56 -0.75 4.76 3.83 1lf6A1 ASN 44 HB2 -3.34 0.01 0.06 -0.04 2.88 -0.43 1lf6A1 ASN 44 HB3 -1.21 -0.08 0.04 -0.04 2.79 1.50 1lf6A1 ASN 44 HD21 -0.25 -0.05 0.08 -0.04 7.03 6.77 1lf6A1 ASN 44 HD22 -0.46 0.29 -0.04 -0.04 7.74 7.50 1lf6A1 ASN 45 H -0.45 0.72 -0.28 -0.55 8.53 7.98 1lf6A1 ASN 45 HA -0.41 0.11 0.44 -0.75 4.76 4.14 1lf6A1 ASN 45 HB2 -0.14 -0.10 0.15 -0.04 2.88 2.74 1lf6A1 ASN 45 HB3 -0.23 0.14 -0.08 -0.04 2.79 2.58 1lf6A1 ASN 45 HD21 -0.10 0.15 0.09 -0.04 7.03 7.13 1lf6A1 ASN 45 HD22 -0.19 -0.02 -0.15 -0.04 7.74 7.34 1lf6A1 TYR 46 H -0.07 0.13 0.11 -0.55 8.29 7.91 1lf6A1 TYR 46 HA -0.10 0.24 0.65 -0.75 4.56 4.60 1lf6A1 TYR 46 HB2 -0.05 -0.05 0.07 -0.04 3.06 2.99 1lf6A1 TYR 46 HB3 -0.03 0.14 0.13 -0.04 2.98 3.18 1lf6A1 TYR 46 HD2 -0.04 -0.02 0.03 -0.04 7.15 7.08 1lf6A1 TYR 46 HE2 -0.05 0.03 -0.09 -0.04 6.85 6.70 1lf6A1 VAL 47 H -0.03 -0.01 -0.16 -0.55 8.24 7.50 1lf6A1 VAL 47 HA 0.03 0.10 0.43 -0.75 4.13 3.94 1lf6A1 VAL 47 HB -0.02 0.06 0.07 -0.04 2.12 2.20 1lf6A1 VAL 47 HG13 0.02 -0.00 -0.09 -0.04 0.97 0.85 1lf6A1 VAL 47 HG23 0.01 -0.02 0.04 -0.04 0.95 0.93 1lf6A1 SER 48 H -0.07 0.10 -0.20 -0.55 8.46 7.74 1lf6A1 SER 48 HA 0.00 -0.01 0.25 -0.75 4.49 3.97 1lf6A1 SER 48 HB2 -0.01 0.11 -0.10 -0.04 3.95 3.90 1lf6A1 SER 48 HB3 -0.09 -0.07 0.13 -0.04 3.93 3.86 1lf6A1 LYS 49 H 0.03 0.21 0.09 -0.55 8.42 8.20 1lf6A1 LYS 49 HA -0.44 0.19 0.57 -0.75 4.32 3.89 1lf6A1 LYS 49 HB2 0.13 -0.12 0.24 -0.04 1.87 2.08 1lf6A1 LYS 49 HB3 0.13 0.15 0.20 -0.04 1.79 2.23 1lf6A1 LYS 49 HG2 0.02 0.07 -0.14 -0.04 1.46 1.37 1lf6A1 LYS 49 HG3 0.05 0.19 0.01 -0.04 1.46 1.67 1lf6A1 LYS 49 HD2 0.05 -0.12 0.09 -0.04 1.69 1.67 1lf6A1 LYS 49 HD3 0.11 -0.04 0.02 -0.04 1.68 1.73 1lf6A1 LYS 49 HE2 0.06 -0.05 0.05 -0.04 2.99 3.00 1lf6A1 LYS 49 HE3 0.05 -0.10 -0.02 -0.04 2.99 2.88 1lf6A1 VAL 50 H -0.37 0.45 -0.26 -0.55 8.24 7.51 1lf6A1 VAL 50 HA 0.16 0.45 0.94 -0.75 4.13 4.93 1lf6A1 VAL 50 HB 0.05 -0.07 -0.08 -0.04 2.12 1.98 1lf6A1 VAL 50 HG13 0.16 -0.00 -0.29 -0.04 0.97 0.80 1lf6A1 VAL 50 HG23 0.01 -0.04 -0.33 -0.04 0.95 0.55 1lf6A1 TRP 51 H 0.61 0.50 0.30 -0.55 7.97 8.83 1lf6A1 TRP 51 HA 0.14 0.33 1.12 -0.75 4.62 5.46 1lf6A1 TRP 51 HB2 0.14 -0.15 0.05 -0.04 3.23 3.23 1lf6A1 TRP 51 HB3 -0.02 0.08 0.05 -0.04 3.23 3.30 1lf6A1 TRP 51 HD1 -0.04 0.06 -0.00 -0.04 7.22 7.20 1lf6A1 TRP 51 HE1 -0.02 0.23 -0.06 -0.04 10.20 10.31 1lf6A1 TRP 51 HE3 0.10 0.11 -0.47 -0.04 7.59 7.30 1lf6A1 TRP 51 HZ2 -0.02 0.23 0.01 -0.04 7.44 7.62 1lf6A1 TRP 51 HZ3 0.01 0.04 -0.79 -0.04 7.13 6.36 1lf6A1 TRP 51 HH2 0.01 -0.19 -0.01 -0.04 7.19 6.95 1lf6A1 PHE 52 H -0.03 0.61 0.37 -0.55 8.34 8.73 1lf6A1 PHE 52 HA 0.27 0.24 1.03 -0.75 4.62 5.40 1lf6A1 PHE 52 HB2 0.12 0.02 0.01 -0.04 3.15 3.27 1lf6A1 PHE 52 HB3 0.16 -0.03 -0.18 -0.04 3.06 2.97 1lf6A1 PHE 52 HD2 0.09 0.02 -0.39 -0.04 7.28 6.96 1lf6A1 PHE 52 HE2 0.13 -0.06 -0.30 -0.04 7.38 7.11 1lf6A1 PHE 52 HZ 0.26 0.24 -0.07 -0.04 7.32 7.70 1lf6A1 THR 53 H 0.30 0.42 0.22 -0.55 8.28 8.66 1lf6A1 THR 53 HA -0.04 0.24 1.00 -0.75 4.39 4.83 1lf6A1 THR 53 HB 0.02 0.03 0.16 -0.04 4.32 4.50 1lf6A1 THR 53 HG23 0.11 0.04 -0.10 -0.04 1.22 1.23 1lf6A1 LEU 54 H -0.06 0.65 0.34 -0.55 8.37 8.75 1lf6A1 LEU 54 HA 0.05 0.24 0.94 -0.75 4.35 4.82 1lf6A1 LEU 54 HB2 -0.16 -0.14 -0.07 -0.04 1.64 1.23 1lf6A1 LEU 54 HB3 -0.03 -0.02 -0.19 -0.04 1.64 1.35 1lf6A1 LEU 54 HG 0.02 0.02 -0.46 -0.04 1.64 1.18 1lf6A1 LEU 54 HD13 -0.24 0.01 -0.31 -0.04 0.93 0.34 1lf6A1 LEU 54 HD23 0.08 0.03 -0.32 -0.04 0.89 0.64 1lf6A1 ALA 55 H 0.03 0.83 0.24 -0.55 8.40 8.95 1lf6A1 ALA 55 HA -0.01 -0.01 0.68 -0.75 4.34 4.25 1lf6A1 ALA 55 HB3 0.02 0.04 -0.03 -0.04 1.41 1.40 1lf6A1 ASN 56 H 0.02 0.19 0.15 -0.55 8.53 8.34 1lf6A1 ASN 56 HA 0.03 0.06 0.37 -0.75 4.76 4.47 1lf6A1 ASN 56 HB2 0.04 0.07 -0.12 -0.04 2.88 2.84 1lf6A1 ASN 56 HB3 0.05 0.25 0.34 -0.04 2.79 3.39 1lf6A1 ASN 56 HD21 0.04 -0.05 0.04 -0.04 7.03 7.02 1lf6A1 ASN 56 HD22 0.04 -0.01 -0.02 -0.04 7.74 7.70 1lf6A1 GLY 57 H 0.03 0.00 -0.30 -0.55 8.43 7.62 1lf6A1 GLY 57 HA2 0.05 -0.03 0.13 -0.51 4.01 3.64 1lf6A1 GLY 57 HA3 0.07 0.12 0.29 -0.51 4.01 3.97 1lf6A1 ALA 58 H 0.05 0.43 -0.36 -0.55 8.40 7.97 1lf6A1 ALA 58 HA 0.07 0.10 0.70 -0.75 4.34 4.45 1lf6A1 ALA 58 HB3 0.06 0.07 -0.07 -0.04 1.41 1.43 1lf6A1 ILE 59 H 0.04 0.21 0.17 -0.55 8.25 8.11 1lf6A1 ILE 59 HA 0.09 0.10 0.53 -0.75 4.18 4.15 1lf6A1 ILE 59 HB 0.04 -0.00 0.17 -0.04 1.89 2.05 1lf6A1 ILE 59 HG12 0.01 0.03 -0.07 -0.04 1.49 1.42 1lf6A1 ILE 59 HG13 0.01 -0.08 0.00 -0.04 1.21 1.10 1lf6A1 ILE 59 HG23 0.12 0.04 -0.22 -0.04 0.93 0.83 1lf6A1 ILE 59 HD13 -0.05 0.00 -0.10 -0.04 0.88 0.70 1lf6A1 SER 60 H 0.11 0.65 0.23 -0.55 8.46 8.91 1lf6A1 SER 60 HA 0.07 0.18 0.85 -0.75 4.49 4.83 1lf6A1 SER 60 HB2 0.09 -0.09 0.17 -0.04 3.95 4.07 1lf6A1 SER 60 HB3 0.06 -0.02 -0.01 -0.04 3.93 3.93 1lf6A1 GLU 61 H 0.12 0.03 0.08 -0.55 8.60 8.29 1lf6A1 GLU 61 HA 0.09 0.43 0.39 -0.75 4.29 4.45 1lf6A1 GLU 61 HB2 0.17 -0.02 0.05 -0.04 2.09 2.25 1lf6A1 GLU 61 HB3 -0.32 -0.02 -0.07 -0.04 1.99 1.54 1lf6A1 GLU 61 HG2 -0.22 -0.02 -0.03 -0.04 2.34 2.03 1lf6A1 GLU 61 HG3 0.22 0.14 0.12 -0.04 2.34 2.77 1lf6A1 VAL 62 H 0.01 0.13 0.30 -0.55 8.24 8.13 1lf6A1 VAL 62 HA 0.33 0.30 1.01 -0.75 4.13 5.01 1lf6A1 VAL 62 HB 0.31 -0.15 0.04 -0.04 2.12 2.28 1lf6A1 VAL 62 HG13 0.33 0.02 -0.10 -0.04 0.97 1.18 1lf6A1 VAL 62 HG23 0.24 0.04 -0.21 -0.04 0.95 0.98 1lf6A1 TYR 63 H 0.53 0.76 0.32 -0.55 8.29 9.35 1lf6A1 TYR 63 HA 0.10 0.23 1.16 -0.75 4.56 5.30 1lf6A1 TYR 63 HB2 0.26 -0.07 -0.01 -0.04 3.06 3.20 1lf6A1 TYR 63 HB3 -0.05 0.14 -0.12 -0.04 2.98 2.90 1lf6A1 TYR 63 HD2 -0.00 -0.04 -0.49 -0.04 7.15 6.57 1lf6A1 TYR 63 HE2 -0.19 0.03 -0.25 -0.04 6.85 6.39 1lf6A1 TYR 64 H 0.17 0.67 0.32 -0.55 8.29 8.90 1lf6A1 TYR 64 HA 0.21 0.17 0.48 -0.75 4.56 4.66 1lf6A1 TYR 64 HB2 -0.52 0.17 0.19 -0.04 3.06 2.86 1lf6A1 TYR 64 HB3 -0.80 -0.10 -0.17 -0.04 2.98 1.87 1lf6A1 TYR 64 HD2 0.06 0.10 -0.07 -0.04 7.15 7.19 1lf6A1 TYR 64 HE2 0.17 -0.01 -0.03 -0.04 6.85 6.94 1lf6A1 PRO 65 HA -0.28 0.35 0.44 -0.51 4.44 4.44 1lf6A1 PRO 65 HB2 -0.24 0.04 0.13 -0.04 2.28 2.17 1lf6A1 PRO 65 HB3 -1.26 0.02 0.11 -0.04 2.02 0.85 1lf6A1 PRO 65 HG2 -0.17 -0.01 -0.05 -0.04 2.03 1.77 1lf6A1 PRO 65 HG3 -0.27 0.03 0.06 -0.04 2.03 1.81 1lf6A1 PRO 65 HD2 -0.16 0.06 0.44 -0.04 3.68 3.97 1lf6A1 PRO 65 HD3 -0.51 0.11 0.06 -0.04 3.65 3.27 1lf6A1 THR 66 H 0.00 0.22 -0.10 -0.55 8.28 7.85 1lf6A1 THR 66 HA 0.13 0.20 0.92 -0.75 4.39 4.88 1lf6A1 THR 66 HB -0.06 -0.06 0.07 -0.04 4.32 4.22 1lf6A1 THR 66 HG23 -0.00 0.02 -0.13 -0.04 1.22 1.07 1lf6A1 ILE 67 H -0.53 0.12 0.09 -0.55 8.25 7.39 1lf6A1 ILE 67 HA -1.46 0.14 0.24 -0.75 4.18 2.34 1lf6A1 ILE 67 HB -1.28 0.05 -0.06 -0.04 1.89 0.56 1lf6A1 ILE 67 HG12 -0.83 -0.05 0.01 -0.04 1.49 0.57 1lf6A1 ILE 67 HG13 -2.07 0.00 -0.03 -0.04 1.21 -0.93 1lf6A1 ILE 67 HG23 -0.34 0.01 -0.21 -0.04 0.93 0.34 1lf6A1 ILE 67 HD13 -0.40 0.10 -0.23 -0.04 0.88 0.32 1lf6A1 ASP 68 H -0.15 -0.04 -0.56 -0.55 8.40 7.10 1lf6A1 ASP 68 HA 0.00 0.25 0.87 -0.75 4.63 5.00 1lf6A1 ASP 68 HB2 0.07 0.07 0.19 -0.04 2.71 3.01 1lf6A1 ASP 68 HB3 -0.00 0.04 0.01 -0.04 2.70 2.70 1lf6A1 THR 69 H 0.06 0.45 -0.31 -0.55 8.28 7.93 1lf6A1 THR 69 HA 0.01 0.22 0.95 -0.75 4.39 4.81 1lf6A1 THR 69 HB 0.03 -0.08 0.02 -0.04 4.32 4.25 1lf6A1 THR 69 HG23 0.05 0.01 0.02 -0.04 1.22 1.26 1lf6A1 ALA 70 H -0.15 0.23 0.01 -0.55 8.40 7.94 1lf6A1 ALA 70 HA -0.69 0.17 0.61 -0.75 4.34 3.67 1lf6A1 ALA 70 HB3 -0.60 0.02 0.03 -0.04 1.41 0.81 1lf6A1 ASP 71 H 0.00 0.61 0.44 -0.55 8.40 8.90 1lf6A1 ASP 71 HA 0.21 0.21 0.81 -0.75 4.63 5.10 1lf6A1 ASP 71 HB2 0.41 0.08 -0.04 -0.04 2.71 3.11 1lf6A1 ASP 71 HB3 0.35 -0.07 0.00 -0.04 2.70 2.93 1lf6A1 VAL 72 H 0.12 0.14 0.26 -0.55 8.24 8.21 1lf6A1 VAL 72 HA 0.06 0.09 1.00 -0.75 4.13 4.54 1lf6A1 VAL 72 HB 0.20 -0.05 0.05 -0.04 2.12 2.27 1lf6A1 VAL 72 HG13 0.17 0.02 -0.26 -0.04 0.97 0.87 1lf6A1 VAL 72 HG23 0.41 -0.00 -0.27 -0.04 0.95 1.04 1lf6A1 LYS 73 H -0.23 0.62 0.25 -0.55 8.42 8.51 1lf6A1 LYS 73 HA 0.07 0.06 0.70 -0.75 4.32 4.39 1lf6A1 LYS 73 HB2 -1.76 -0.00 -0.09 -0.04 1.87 -0.02 1lf6A1 LYS 73 HB3 -0.62 0.01 0.08 -0.04 1.79 1.23 1lf6A1 LYS 73 HG2 -0.15 -0.18 0.03 -0.04 1.46 1.12 1lf6A1 LYS 73 HG3 -0.66 0.14 -0.04 -0.04 1.46 0.86 1lf6A1 LYS 73 HD2 -0.29 -0.04 -0.14 -0.04 1.69 1.18 1lf6A1 LYS 73 HD3 -0.13 -0.03 -0.44 -0.04 1.68 1.03 1lf6A1 LYS 73 HE2 -0.03 -0.12 -0.44 -0.04 2.99 2.37 1lf6A1 LYS 73 HE3 -0.15 0.31 -0.04 -0.04 2.99 3.06 1lf6A1 GLU 74 H -0.13 0.21 0.22 -0.55 8.60 8.36 1lf6A1 GLU 74 HA 0.03 0.38 0.52 -0.75 4.29 4.47 1lf6A1 GLU 74 HB2 -0.07 -0.11 -0.13 -0.04 2.09 1.74 1lf6A1 GLU 74 HB3 -0.01 -0.04 -0.04 -0.04 1.99 1.86 1lf6A1 GLU 74 HG2 0.02 0.12 0.13 -0.04 2.34 2.57 1lf6A1 GLU 74 HG3 -0.04 -0.03 -0.45 -0.04 2.34 1.78 1lf6A1 ILE 75 H 0.03 0.57 0.07 -0.55 8.25 8.36 1lf6A1 ILE 75 HA 0.05 0.18 0.77 -0.75 4.18 4.42 1lf6A1 ILE 75 HB 0.01 -0.04 0.13 -0.04 1.89 1.96 1lf6A1 ILE 75 HG12 0.33 -0.01 -0.02 -0.04 1.49 1.75 1lf6A1 ILE 75 HG13 0.16 -0.02 -0.64 -0.04 1.21 0.67 1lf6A1 ILE 75 HG23 -0.07 -0.01 -0.14 -0.04 0.93 0.66 1lf6A1 ILE 75 HD13 0.03 -0.01 -0.14 -0.04 0.88 0.73 1lf6A1 LYS 76 H -0.05 0.50 0.22 -0.55 8.42 8.54 1lf6A1 LYS 76 HA -0.07 0.21 0.96 -0.75 4.32 4.67 1lf6A1 LYS 76 HB2 0.07 -0.05 0.10 -0.04 1.87 1.95 1lf6A1 LYS 76 HB3 0.03 0.06 -0.13 -0.04 1.79 1.71 1lf6A1 LYS 76 HG2 0.01 0.06 -0.01 -0.04 1.46 1.47 1lf6A1 LYS 76 HG3 0.04 -0.02 -0.30 -0.04 1.46 1.14 1lf6A1 LYS 76 HD2 0.07 -0.09 -0.08 -0.04 1.69 1.54 1lf6A1 LYS 76 HD3 0.03 0.06 -0.10 -0.04 1.68 1.64 1lf6A1 LYS 76 HE2 0.02 0.01 -0.12 -0.04 2.99 2.86 1lf6A1 LYS 76 HE3 0.05 -0.04 -0.14 -0.04 2.99 2.82 1lf6A1 PHE 77 H 0.18 0.15 0.19 -0.55 8.34 8.32 1lf6A1 PHE 77 HA 0.11 0.33 1.08 -0.75 4.62 5.39 1lf6A1 PHE 77 HB2 0.12 -0.04 0.10 -0.04 3.15 3.28 1lf6A1 PHE 77 HB3 0.11 0.03 -0.05 -0.04 3.06 3.10 1lf6A1 PHE 77 HD2 0.13 0.07 -0.14 -0.04 7.28 7.30 1lf6A1 PHE 77 HE2 0.20 0.01 -0.18 -0.04 7.38 7.37 1lf6A1 PHE 77 HZ 0.41 0.02 -0.16 -0.04 7.32 7.55 1lf6A1 ILE 78 H 0.31 0.86 0.40 -0.55 8.25 9.27 1lf6A1 ILE 78 HA 0.15 0.16 1.00 -0.75 4.18 4.73 1lf6A1 ILE 78 HB 0.18 -0.06 -0.02 -0.04 1.89 1.95 1lf6A1 ILE 78 HG12 0.11 -0.02 -0.38 -0.04 1.49 1.16 1lf6A1 ILE 78 HG13 0.06 -0.06 -0.21 -0.04 1.21 0.96 1lf6A1 ILE 78 HG23 0.08 0.02 -0.24 -0.04 0.93 0.75 1lf6A1 ILE 78 HD13 0.10 0.07 -0.12 -0.04 0.88 0.89 1lf6A1 VAL 79 H 0.07 0.52 0.26 -0.55 8.24 8.55 1lf6A1 VAL 79 HA 0.06 0.35 1.23 -0.75 4.13 5.02 1lf6A1 VAL 79 HB -0.21 -0.06 -0.03 -0.04 2.12 1.79 1lf6A1 VAL 79 HG13 -0.74 -0.02 -0.01 -0.04 0.97 0.16 1lf6A1 VAL 79 HG23 0.01 0.03 -0.07 -0.04 0.95 0.87 1lf6A1 THR 80 H 0.11 0.54 0.41 -0.55 8.28 8.79 1lf6A1 THR 80 HA -0.01 0.21 0.73 -0.75 4.39 4.57 1lf6A1 THR 80 HB 0.04 0.00 -0.15 -0.04 4.32 4.17 1lf6A1 THR 80 HG23 0.17 0.03 -0.17 -0.04 1.22 1.20 1lf6A1 ASP 81 H -0.70 0.24 0.25 -0.55 8.40 7.64 1lf6A1 ASP 81 HA -0.14 0.39 0.99 -0.75 4.63 5.12 1lf6A1 ASP 81 HB2 -0.21 0.13 0.25 -0.04 2.71 2.84 1lf6A1 ASP 81 HB3 -0.46 -0.01 0.13 -0.04 2.70 2.32 1lf6A1 GLY 82 H -0.15 0.04 -0.05 -0.55 8.43 7.72 1lf6A1 GLY 82 HA2 -0.05 0.46 0.37 -0.51 4.01 4.28 1lf6A1 GLY 82 HA3 -0.05 0.07 0.44 -0.51 4.01 3.96 1lf6A1 LYS 83 H -0.20 -0.26 -0.39 -0.55 8.42 7.02 1lf6A1 LYS 83 HA -0.06 0.30 0.96 -0.75 4.32 4.77 1lf6A1 LYS 83 HB2 -0.09 -0.17 0.05 -0.04 1.87 1.62 1lf6A1 LYS 83 HB3 -0.04 -0.00 -0.03 -0.04 1.79 1.68 1lf6A1 LYS 83 HG2 -0.05 0.06 -0.14 -0.04 1.46 1.30 1lf6A1 LYS 83 HG3 -0.08 0.22 -0.32 -0.04 1.46 1.23 1lf6A1 LYS 83 HD2 -0.04 -0.06 0.00 -0.04 1.69 1.55 1lf6A1 LYS 83 HD3 -0.03 -0.04 -0.02 -0.04 1.68 1.56 1lf6A1 LYS 83 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.89 1lf6A1 LYS 83 HE3 -0.06 0.13 0.02 -0.04 2.99 3.04 1lf6A1 SER 84 H -0.20 -0.10 0.08 -0.55 8.46 7.69 1lf6A1 SER 84 HA -0.02 0.34 0.97 -0.75 4.49 5.03 1lf6A1 SER 84 HB2 0.08 0.02 0.01 -0.04 3.95 4.02 1lf6A1 SER 84 HB3 0.02 0.09 -0.09 -0.04 3.93 3.91 1lf6A1 PHE 85 H 0.06 0.03 0.16 -0.55 8.34 8.05 1lf6A1 PHE 85 HA 0.06 0.13 0.44 -0.75 4.62 4.50 1lf6A1 PHE 85 HB2 0.10 0.00 0.06 -0.04 3.15 3.27 1lf6A1 PHE 85 HB3 0.08 0.03 0.12 -0.04 3.06 3.25 1lf6A1 PHE 85 HD2 0.12 0.07 -0.12 -0.04 7.28 7.30 1lf6A1 PHE 85 HE2 0.20 0.05 -0.10 -0.04 7.38 7.49 1lf6A1 PHE 85 HZ 0.61 0.11 -0.09 -0.04 7.32 7.90 1lf6A1 VAL 86 H 0.24 0.14 0.04 -0.55 8.24 8.11 1lf6A1 VAL 86 HA 0.16 0.27 0.83 -0.75 4.13 4.63 1lf6A1 VAL 86 HB 0.07 -0.02 0.10 -0.04 2.12 2.22 1lf6A1 VAL 86 HG13 0.03 -0.04 -0.22 -0.04 0.97 0.71 1lf6A1 VAL 86 HG23 -0.01 0.07 -0.32 -0.04 0.95 0.65 1lf6A1 PRO 87 HA 0.16 0.11 0.82 -0.51 4.44 5.02 1lf6A1 PRO 87 HB2 0.30 -0.01 -0.10 -0.04 2.28 2.43 1lf6A1 PRO 87 HB3 0.21 0.03 0.05 -0.04 2.02 2.27 1lf6A1 PRO 87 HG2 0.18 -0.07 0.12 -0.04 2.03 2.23 1lf6A1 PRO 87 HG3 0.43 -0.03 -0.01 -0.04 2.03 2.38 1lf6A1 PRO 87 HD2 0.45 0.62 0.22 -0.04 3.68 4.93 1lf6A1 PRO 87 HD3 0.67 -0.03 -0.09 -0.04 3.65 4.15 1lf6A1 ASP 88 H 0.13 0.21 0.17 -0.55 8.40 8.36 1lf6A1 ASP 88 HA 0.13 0.18 0.77 -0.75 4.63 4.94 1lf6A1 ASP 88 HB2 0.09 0.10 0.04 -0.04 2.71 2.89 1lf6A1 ASP 88 HB3 0.09 -0.01 0.17 -0.04 2.70 2.91 1lf6A1 GLU 89 H 0.17 0.52 0.23 -0.55 8.60 8.98 1lf6A1 GLU 89 HA 0.23 -0.01 0.23 -0.75 4.29 3.99 1lf6A1 GLU 89 HB2 0.23 0.01 0.01 -0.04 2.09 2.31 1lf6A1 GLU 89 HB3 0.25 0.06 0.10 -0.04 1.99 2.36 1lf6A1 GLU 89 HG2 0.17 -0.04 0.16 -0.04 2.34 2.58 1lf6A1 GLU 89 HG3 0.15 0.16 -0.27 -0.04 2.34 2.34 1lf6A1 THR 90 H 0.11 0.03 -0.26 -0.55 8.28 7.61 1lf6A1 THR 90 HA 0.08 0.46 0.46 -0.75 4.39 4.64 1lf6A1 THR 90 HB 0.06 0.02 0.14 -0.04 4.32 4.50 1lf6A1 THR 90 HG23 0.07 0.00 -0.03 -0.04 1.22 1.22 1lf6A1 LYS 91 H 0.09 0.26 -0.40 -0.55 8.42 7.82 1lf6A1 LYS 91 HA 0.06 0.21 0.82 -0.75 4.32 4.65 1lf6A1 LYS 91 HB2 0.06 0.00 0.07 -0.04 1.87 1.96 1lf6A1 LYS 91 HB3 0.06 0.05 -0.11 -0.04 1.79 1.75 1lf6A1 LYS 91 HG2 0.08 0.05 0.07 -0.04 1.46 1.62 1lf6A1 LYS 91 HG3 0.07 -0.00 -0.05 -0.04 1.46 1.44 1lf6A1 LYS 91 HD2 0.07 -0.02 -0.17 -0.04 1.69 1.52 1lf6A1 LYS 91 HD3 0.07 -0.05 -0.05 -0.04 1.68 1.62 1lf6A1 LYS 91 HE2 0.06 0.01 -0.04 -0.04 2.99 2.99 1lf6A1 LYS 91 HE3 0.06 0.04 -0.05 -0.04 2.99 3.00 1lf6A1 ASP 92 H 0.10 0.52 0.21 -0.55 8.40 8.68 1lf6A1 ASP 92 HA 0.05 0.26 0.94 -0.75 4.63 5.13 1lf6A1 ASP 92 HB2 0.16 -0.05 -0.04 -0.04 2.71 2.74 1lf6A1 ASP 92 HB3 0.09 -0.05 0.19 -0.04 2.70 2.90 1lf6A1 ALA 93 H 0.06 0.37 -0.13 -0.55 8.40 8.15 1lf6A1 ALA 93 HA -0.04 0.04 0.77 -0.75 4.34 4.35 1lf6A1 ALA 93 HB3 0.06 0.02 -0.29 -0.04 1.41 1.15 1lf6A1 ILE 94 H -0.05 0.67 0.19 -0.55 8.25 8.51 1lf6A1 ILE 94 HA 0.00 0.12 0.74 -0.75 4.18 4.29 1lf6A1 ILE 94 HB -0.03 -0.01 0.17 -0.04 1.89 1.97 1lf6A1 ILE 94 HG12 -0.04 -0.00 0.01 -0.04 1.49 1.42 1lf6A1 ILE 94 HG13 -0.03 0.02 0.02 -0.04 1.21 1.18 1lf6A1 ILE 94 HG23 -0.01 0.01 -0.08 -0.04 0.93 0.82 1lf6A1 ILE 94 HD13 -0.01 0.02 -0.09 -0.04 0.88 0.76 1lf6A1 SER 95 H 0.02 0.17 0.17 -0.55 8.46 8.26 1lf6A1 SER 95 HA 0.02 0.31 0.99 -0.75 4.49 5.06 1lf6A1 SER 95 HB2 0.04 0.08 -0.17 -0.04 3.95 3.86 1lf6A1 SER 95 HB3 0.03 -0.06 0.00 -0.04 3.93 3.86 1lf6A1 LYS 96 H 0.03 0.44 0.30 -0.55 8.42 8.63 1lf6A1 LYS 96 HA 0.02 0.14 0.90 -0.75 4.32 4.63 1lf6A1 LYS 96 HB2 0.02 -0.05 0.18 -0.04 1.87 1.98 1lf6A1 LYS 96 HB3 0.02 0.05 0.03 -0.04 1.79 1.85 1lf6A1 LYS 96 HG2 0.00 0.02 -0.21 -0.04 1.46 1.24 1lf6A1 LYS 96 HG3 0.00 -0.01 -0.03 -0.04 1.46 1.38 1lf6A1 LYS 96 HD2 0.00 0.01 0.01 -0.04 1.69 1.67 1lf6A1 LYS 96 HD3 0.01 0.12 -0.02 -0.04 1.68 1.75 1lf6A1 LYS 96 HE2 -0.01 -0.04 -0.16 -0.04 2.99 2.74 1lf6A1 LYS 96 HE3 -0.01 -0.01 -0.05 -0.04 2.99 2.88 1lf6A1 VAL 97 H 0.03 0.19 0.16 -0.55 8.24 8.07 1lf6A1 VAL 97 HA 0.08 0.37 1.20 -0.75 4.13 5.02 1lf6A1 VAL 97 HB 0.04 -0.13 -0.13 -0.04 2.12 1.86 1lf6A1 VAL 97 HG13 0.04 0.02 -0.14 -0.04 0.97 0.85 1lf6A1 VAL 97 HG23 0.13 0.03 -0.14 -0.04 0.95 0.93 1lf6A1 GLU 98 H 0.13 0.50 0.34 -0.55 8.60 9.02 1lf6A1 GLU 98 HA 0.06 0.12 0.57 -0.75 4.29 4.29 1lf6A1 GLU 98 HB2 0.04 0.03 0.09 -0.04 2.09 2.21 1lf6A1 GLU 98 HB3 0.05 0.04 -0.18 -0.04 1.99 1.86 1lf6A1 GLU 98 HG2 0.08 -0.01 -0.08 -0.04 2.34 2.29 1lf6A1 GLU 98 HG3 0.10 0.01 -0.27 -0.04 2.34 2.14 1lf6A1 LYS 99 H -0.02 0.13 0.14 -0.55 8.42 8.11 1lf6A1 LYS 99 HA -0.33 0.21 0.95 -0.75 4.32 4.39 1lf6A1 LYS 99 HB2 -0.14 -0.02 0.07 -0.04 1.87 1.74 1lf6A1 LYS 99 HB3 -0.36 0.11 0.32 -0.04 1.79 1.83 1lf6A1 LYS 99 HG2 -0.51 -0.05 -0.01 -0.04 1.46 0.84 1lf6A1 LYS 99 HG3 -0.12 -0.04 0.06 -0.04 1.46 1.32 1lf6A1 LYS 99 HD2 -0.56 0.04 0.17 -0.04 1.69 1.30 1lf6A1 LYS 99 HD3 -0.21 0.01 0.04 -0.04 1.68 1.48 1lf6A1 LYS 99 HE2 -0.19 0.21 0.16 -0.04 2.99 3.13 1lf6A1 LYS 99 HE3 -0.20 -0.06 -0.03 -0.04 2.99 2.66 1lf6A1 PHE 100 H -0.32 0.46 0.19 -0.55 8.34 8.11 1lf6A1 PHE 100 HA -0.02 0.04 0.32 -0.75 4.62 4.22 1lf6A1 PHE 100 HB2 -0.03 -0.08 0.10 -0.04 3.15 3.09 1lf6A1 PHE 100 HB3 -0.03 -0.01 -0.04 -0.04 3.06 2.94 1lf6A1 PHE 100 HD2 -0.00 0.02 -0.13 -0.04 7.28 7.12 1lf6A1 PHE 100 HE2 -0.10 0.04 -0.19 -0.04 7.38 7.09 1lf6A1 PHE 100 HZ 0.26 -0.06 -0.14 -0.04 7.32 7.34 1lf6A1 THR 101 H 0.03 0.23 0.01 -0.55 8.28 8.00 1lf6A1 THR 101 HA 0.02 0.24 0.60 -0.75 4.39 4.49 1lf6A1 THR 101 HB -0.00 -0.02 0.11 -0.04 4.32 4.36 1lf6A1 THR 101 HG23 0.05 0.02 -0.26 -0.04 1.22 0.99 1lf6A1 ASP 102 H -0.03 0.20 0.11 -0.55 8.40 8.13 1lf6A1 ASP 102 HA -0.04 0.15 0.53 -0.75 4.63 4.52 1lf6A1 ASP 102 HB2 -0.04 0.01 0.09 -0.04 2.71 2.73 1lf6A1 ASP 102 HB3 -0.00 0.02 0.10 -0.04 2.70 2.78 1lf6A1 LYS 103 H -0.06 -0.03 -0.51 -0.55 8.42 7.27 1lf6A1 LYS 103 HA -0.09 0.27 0.82 -0.75 4.32 4.57 1lf6A1 LYS 103 HB2 -0.08 -0.05 0.03 -0.04 1.87 1.72 1lf6A1 LYS 103 HB3 -0.08 0.05 0.17 -0.04 1.79 1.90 1lf6A1 LYS 103 HG2 -0.63 0.10 -0.11 -0.04 1.46 0.78 1lf6A1 LYS 103 HG3 -0.28 -0.14 -0.42 -0.04 1.46 0.57 1lf6A1 LYS 103 HD2 -0.17 -0.05 -0.05 -0.04 1.69 1.38 1lf6A1 LYS 103 HD3 -0.25 0.05 -0.03 -0.04 1.68 1.41 1lf6A1 LYS 103 HE2 -1.06 0.06 -0.11 -0.04 2.99 1.84 1lf6A1 LYS 103 HE3 -0.36 -0.04 -0.10 -0.04 2.99 2.44 1lf6A1 SER 104 H -0.13 0.42 -0.19 -0.55 8.46 8.01 1lf6A1 SER 104 HA -0.11 0.12 0.56 -0.75 4.49 4.31 1lf6A1 SER 104 HB2 0.15 -0.01 0.05 -0.04 3.95 4.09 1lf6A1 SER 104 HB3 0.11 0.19 -0.05 -0.04 3.93 4.14 1lf6A1 LEU 105 H -1.00 0.19 0.08 -0.55 8.37 7.09 1lf6A1 LEU 105 HA -0.56 0.22 0.76 -0.75 4.35 4.01 1lf6A1 LEU 105 HB2 -0.76 -0.03 0.25 -0.04 1.64 1.06 1lf6A1 LEU 105 HB3 -0.18 0.15 0.36 -0.04 1.64 1.93 1lf6A1 LEU 105 HG -1.28 -0.06 -0.06 -0.04 1.64 0.20 1lf6A1 LEU 105 HD13 -0.56 0.03 -0.16 -0.04 0.93 0.20 1lf6A1 LEU 105 HD23 -0.32 0.04 -0.01 -0.04 0.89 0.56 1lf6A1 GLY 106 H -0.36 0.23 -0.48 -0.55 8.43 7.27 1lf6A1 GLY 106 HA2 -0.16 0.27 0.94 -0.51 4.01 4.54 1lf6A1 GLY 106 HA3 -0.76 -0.05 0.29 -0.51 4.01 2.97 1lf6A1 TYR 107 H -0.29 0.56 0.29 -0.55 8.29 8.30 1lf6A1 TYR 107 HA -0.30 0.27 1.26 -0.75 4.56 5.03 1lf6A1 TYR 107 HB2 0.00 -0.06 -0.10 -0.04 3.06 2.86 1lf6A1 TYR 107 HB3 -0.01 0.03 -0.12 -0.04 2.98 2.84 1lf6A1 TYR 107 HD2 0.10 0.02 -0.25 -0.04 7.15 6.98 1lf6A1 TYR 107 HE2 -0.05 0.19 -0.13 -0.04 6.85 6.82 1lf6A1 LYS 108 H 0.15 0.77 0.37 -0.55 8.42 9.16 1lf6A1 LYS 108 HA 0.25 0.40 1.09 -0.75 4.32 5.31 1lf6A1 LYS 108 HB2 0.34 -0.06 -0.04 -0.04 1.87 2.06 1lf6A1 LYS 108 HB3 0.17 0.04 0.09 -0.04 1.79 2.05 1lf6A1 LYS 108 HG2 0.11 -0.03 -0.28 -0.04 1.46 1.21 1lf6A1 LYS 108 HG3 0.14 0.06 0.02 -0.04 1.46 1.64 1lf6A1 LYS 108 HD2 0.11 -0.02 -0.09 -0.04 1.69 1.65 1lf6A1 LYS 108 HD3 0.09 0.00 -0.11 -0.04 1.68 1.62 1lf6A1 LYS 108 HE2 0.05 -0.01 -0.14 -0.04 2.99 2.85 1lf6A1 LYS 108 HE3 0.05 -0.02 -0.10 -0.04 2.99 2.88 1lf6A1 LEU 109 H 0.12 0.45 0.32 -0.55 8.37 8.72 1lf6A1 LEU 109 HA 0.08 0.38 1.11 -0.75 4.35 5.16 1lf6A1 LEU 109 HB2 0.09 -0.06 0.05 -0.04 1.64 1.69 1lf6A1 LEU 109 HB3 0.07 0.01 -0.08 -0.04 1.64 1.61 1lf6A1 LEU 109 HG 0.09 -0.03 -0.43 -0.04 1.64 1.23 1lf6A1 LEU 109 HD13 0.06 -0.00 -0.35 -0.04 0.93 0.59 1lf6A1 LEU 109 HD23 0.04 0.01 -0.18 -0.04 0.89 0.72 1lf6A1 VAL 110 H 0.05 0.56 0.31 -0.55 8.24 8.60 1lf6A1 VAL 110 HA 0.03 0.24 1.09 -0.75 4.13 4.73 1lf6A1 VAL 110 HB 0.02 -0.02 0.19 -0.04 2.12 2.27 1lf6A1 VAL 110 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.75 1lf6A1 VAL 110 HG23 0.03 0.00 -0.17 -0.04 0.95 0.77 1lf6A1 ASN 111 H 0.04 0.79 0.30 -0.55 8.53 9.12 1lf6A1 ASN 111 HA 0.02 0.38 0.98 -0.75 4.76 5.38 1lf6A1 ASN 111 HB2 0.12 -0.08 0.18 -0.04 2.88 3.06 1lf6A1 ASN 111 HB3 0.09 -0.01 -0.12 -0.04 2.79 2.71 1lf6A1 ASN 111 HD21 0.12 0.46 0.08 -0.04 7.03 7.66 1lf6A1 ASN 111 HD22 0.17 -0.13 -0.02 -0.04 7.74 7.72 1lf6A1 THR 112 H -0.04 0.77 0.29 -0.55 8.28 8.75 1lf6A1 THR 112 HA -0.19 0.16 1.11 -0.75 4.39 4.72 1lf6A1 THR 112 HB -0.08 -0.01 0.18 -0.04 4.32 4.37 1lf6A1 THR 112 HG23 -0.14 0.05 -0.06 -0.04 1.22 1.03 1lf6A1 ASP 113 H -0.64 0.46 0.24 -0.55 8.40 7.91 1lf6A1 ASP 113 HA -0.40 0.11 0.48 -0.75 4.63 4.06 1lf6A1 ASP 113 HB2 -2.41 0.08 0.16 -0.04 2.71 0.51 1lf6A1 ASP 113 HB3 -0.65 -0.12 0.29 -0.04 2.70 2.18 1lf6A1 LYS 114 H -0.10 0.68 0.46 -0.55 8.42 8.90 1lf6A1 LYS 114 HA -0.08 0.12 0.48 -0.75 4.32 4.08 1lf6A1 LYS 114 HB2 -0.03 0.00 0.12 -0.04 1.87 1.92 1lf6A1 LYS 114 HB3 -0.03 0.01 0.06 -0.04 1.79 1.78 1lf6A1 LYS 114 HG2 -0.03 -0.00 -0.08 -0.04 1.46 1.31 1lf6A1 LYS 114 HG3 -0.02 -0.02 -0.50 -0.04 1.46 0.87 1lf6A1 LYS 114 HD2 0.01 -0.02 -0.00 -0.04 1.69 1.63 1lf6A1 LYS 114 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.60 1lf6A1 LYS 114 HE2 0.00 -0.04 -0.13 -0.04 2.99 2.78 1lf6A1 LYS 114 HE3 0.02 -0.04 -0.31 -0.04 2.99 2.62 1lf6A1 LYS 115 H -0.13 -0.02 -0.29 -0.55 8.42 7.42 1lf6A1 LYS 115 HA -0.07 0.24 0.73 -0.75 4.32 4.47 1lf6A1 LYS 115 HB2 -0.14 -0.10 0.02 -0.04 1.87 1.61 1lf6A1 LYS 115 HB3 -0.10 0.05 0.11 -0.04 1.79 1.81 1lf6A1 LYS 115 HG2 -0.05 0.08 -0.04 -0.04 1.46 1.42 1lf6A1 LYS 115 HG3 -0.05 -0.06 -0.09 -0.04 1.46 1.22 1lf6A1 LYS 115 HD2 -0.11 -0.05 -0.00 -0.04 1.69 1.49 1lf6A1 LYS 115 HD3 -0.09 0.02 0.00 -0.04 1.68 1.57 1lf6A1 LYS 115 HE2 -0.01 0.04 -0.02 -0.04 2.99 2.97 1lf6A1 LYS 115 HE3 0.00 0.00 -0.01 -0.04 2.99 2.94 1lf6A1 GLY 116 H -0.17 0.54 -0.46 -0.55 8.43 7.80 1lf6A1 GLY 116 HA2 -0.16 0.10 0.27 -0.51 4.01 3.70 1lf6A1 GLY 116 HA3 -0.09 0.08 0.29 -0.51 4.01 3.78 1lf6A1 ARG 117 H -0.22 -0.09 -0.12 -0.55 8.46 7.46 1lf6A1 ARG 117 HA 0.00 0.20 0.85 -0.75 4.34 4.64 1lf6A1 ARG 117 HB2 -0.00 -0.09 0.02 -0.04 1.90 1.78 1lf6A1 ARG 117 HB3 0.16 0.05 0.02 -0.04 1.80 1.99 1lf6A1 ARG 117 HG2 -0.00 0.07 -0.08 -0.04 1.67 1.62 1lf6A1 ARG 117 HG3 -0.11 0.08 -0.31 -0.04 1.67 1.29 1lf6A1 ARG 117 HD2 -0.46 0.01 -0.04 -0.04 3.22 2.70 1lf6A1 ARG 117 HD3 -0.31 0.04 -0.04 -0.04 3.22 2.87 1lf6A1 TYR 118 H -0.49 -0.01 0.18 -0.55 8.29 7.43 1lf6A1 TYR 118 HA -0.40 0.24 1.02 -0.75 4.56 4.67 1lf6A1 TYR 118 HB2 -0.76 0.03 0.13 -0.04 3.06 2.41 1lf6A1 TYR 118 HB3 -0.39 0.05 -0.14 -0.04 2.98 2.46 1lf6A1 TYR 118 HD2 -0.10 0.03 -0.20 -0.04 7.15 6.84 1lf6A1 TYR 118 HE2 0.04 0.03 -0.10 -0.04 6.85 6.78 1lf6A1 ARG 119 H -0.39 0.42 0.33 -0.55 8.46 8.26 1lf6A1 ARG 119 HA -0.14 0.25 0.89 -0.75 4.34 4.59 1lf6A1 ARG 119 HB2 -0.16 0.04 -0.16 -0.04 1.90 1.58 1lf6A1 ARG 119 HB3 -0.17 -0.04 0.02 -0.04 1.80 1.57 1lf6A1 ARG 119 HG2 -0.07 0.02 -0.29 -0.04 1.67 1.28 1lf6A1 ARG 119 HG3 -0.08 0.01 -0.13 -0.04 1.67 1.42 1lf6A1 ARG 119 HD2 -0.08 -0.03 -0.15 -0.04 3.22 2.92 1lf6A1 ARG 119 HD3 -0.05 -0.00 -0.15 -0.04 3.22 2.98 1lf6A1 ILE 120 H 0.03 0.65 0.36 -0.55 8.25 8.74 1lf6A1 ILE 120 HA -0.05 0.36 1.21 -0.75 4.18 4.95 1lf6A1 ILE 120 HB 0.13 -0.04 0.15 -0.04 1.89 2.09 1lf6A1 ILE 120 HG12 0.14 0.06 -0.06 -0.04 1.49 1.58 1lf6A1 ILE 120 HG13 0.26 -0.10 -0.24 -0.04 1.21 1.09 1lf6A1 ILE 120 HG23 -0.02 0.01 -0.13 -0.04 0.93 0.74 1lf6A1 ILE 120 HD13 0.06 -0.01 -0.09 -0.04 0.88 0.80 1lf6A1 THR 121 H -0.04 0.48 0.37 -0.55 8.28 8.53 1lf6A1 THR 121 HA 0.03 0.38 1.25 -0.75 4.39 5.30 1lf6A1 THR 121 HB -0.03 -0.05 0.13 -0.04 4.32 4.32 1lf6A1 THR 121 HG23 0.02 0.01 -0.10 -0.04 1.22 1.12 1lf6A1 LYS 122 H 0.07 0.65 0.45 -0.55 8.42 9.04 1lf6A1 LYS 122 HA 0.03 0.45 1.27 -0.75 4.32 5.32 1lf6A1 LYS 122 HB2 0.10 -0.10 0.02 -0.04 1.87 1.85 1lf6A1 LYS 122 HB3 0.09 0.01 -0.00 -0.04 1.79 1.85 1lf6A1 LYS 122 HG2 0.17 0.03 -0.18 -0.04 1.46 1.43 1lf6A1 LYS 122 HG3 0.11 -0.04 -0.37 -0.04 1.46 1.12 1lf6A1 LYS 122 HD2 0.13 0.03 -0.08 -0.04 1.69 1.72 1lf6A1 LYS 122 HD3 0.14 -0.03 -0.08 -0.04 1.68 1.68 1lf6A1 LYS 122 HE2 0.56 -0.05 -0.08 -0.04 2.99 3.38 1lf6A1 LYS 122 HE3 0.27 -0.02 -0.07 -0.04 2.99 3.13 1lf6A1 ASP 123 H 0.10 0.58 0.34 -0.55 8.40 8.87 1lf6A1 ASP 123 HA 0.41 0.29 0.97 -0.75 4.63 5.54 1lf6A1 ASP 123 HB2 0.24 -0.08 0.21 -0.04 2.71 3.03 1lf6A1 ASP 123 HB3 0.50 -0.02 0.01 -0.04 2.70 3.14 1lf6A1 ILE 124 H 0.27 0.73 0.31 -0.55 8.25 9.01 1lf6A1 ILE 124 HA -0.10 0.41 1.26 -0.75 4.18 5.00 1lf6A1 ILE 124 HB -0.03 -0.06 0.00 -0.04 1.89 1.76 1lf6A1 ILE 124 HG12 -0.05 0.07 -0.09 -0.04 1.49 1.37 1lf6A1 ILE 124 HG13 0.06 -0.14 -0.50 -0.04 1.21 0.59 1lf6A1 ILE 124 HG23 -0.61 0.02 -0.14 -0.04 0.93 0.15 1lf6A1 ILE 124 HD13 0.01 -0.01 -0.19 -0.04 0.88 0.66 1lf6A1 PHE 125 H -0.56 0.65 0.39 -0.55 8.34 8.27 1lf6A1 PHE 125 HA -0.44 0.10 0.43 -0.75 4.62 3.96 1lf6A1 PHE 125 HB2 -1.59 -0.04 0.16 -0.04 3.15 1.64 1lf6A1 PHE 125 HB3 -0.33 0.09 -0.00 -0.04 3.06 2.78 1lf6A1 PHE 125 HD2 -0.00 0.15 -0.33 -0.04 7.28 7.06 1lf6A1 PHE 125 HE2 -0.04 -0.02 -0.29 -0.04 7.38 6.99 1lf6A1 PHE 125 HZ -0.47 -0.00 -0.15 -0.04 7.32 6.65 1lf6A1 THR 126 H -0.25 0.15 0.12 -0.55 8.28 7.76 1lf6A1 THR 126 HA -0.11 0.21 1.21 -0.75 4.39 4.94 1lf6A1 THR 126 HB 0.14 0.12 0.13 -0.04 4.32 4.66 1lf6A1 THR 126 HG23 0.25 0.01 -0.22 -0.04 1.22 1.23 1lf6A1 ASP 127 H 0.06 0.57 0.30 -0.55 8.40 8.78 1lf6A1 ASP 127 HA 0.17 0.05 0.63 -0.75 4.63 4.73 1lf6A1 ASP 127 HB2 0.04 0.05 0.06 -0.04 2.71 2.82 1lf6A1 ASP 127 HB3 0.06 0.16 0.25 -0.04 2.70 3.13 1lf6A1 VAL 128 H 0.17 0.21 0.19 -0.55 8.24 8.26 1lf6A1 VAL 128 HA 0.06 0.06 0.33 -0.75 4.13 3.83 1lf6A1 VAL 128 HB -0.03 0.02 0.03 -0.04 2.12 2.10 1lf6A1 VAL 128 HG13 0.10 0.04 -0.03 -0.04 0.97 1.04 1lf6A1 VAL 128 HG23 0.04 0.01 -0.05 -0.04 0.95 0.91 1lf6A1 LYS 129 H 0.05 -0.03 -0.35 -0.55 8.42 7.54 1lf6A1 LYS 129 HA 0.01 0.19 0.74 -0.75 4.32 4.51 1lf6A1 LYS 129 HB2 0.03 -0.04 -0.01 -0.04 1.87 1.81 1lf6A1 LYS 129 HB3 0.02 0.03 -0.06 -0.04 1.79 1.75 1lf6A1 LYS 129 HG2 0.01 0.05 -0.04 -0.04 1.46 1.43 1lf6A1 LYS 129 HG3 0.02 -0.06 -0.10 -0.04 1.46 1.27 1lf6A1 LYS 129 HD2 0.02 -0.01 -0.05 -0.04 1.69 1.60 1lf6A1 LYS 129 HD3 0.01 0.02 -0.05 -0.04 1.68 1.63 1lf6A1 LYS 129 HE2 0.00 0.02 -0.03 -0.04 2.99 2.94 1lf6A1 LYS 129 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.90 1lf6A1 ARG 130 H 0.05 0.18 -0.10 -0.55 8.46 8.03 1lf6A1 ARG 130 HA 0.05 0.21 0.67 -0.75 4.34 4.51 1lf6A1 ARG 130 HB2 0.04 -0.04 0.04 -0.04 1.90 1.91 1lf6A1 ARG 130 HB3 0.04 0.10 -0.19 -0.04 1.80 1.71 1lf6A1 ARG 130 HG2 0.04 -0.15 -0.12 -0.04 1.67 1.40 1lf6A1 ARG 130 HG3 0.04 -0.00 -0.23 -0.04 1.67 1.44 1lf6A1 ARG 130 HD2 0.02 -0.02 -0.14 -0.04 3.22 3.05 1lf6A1 ARG 130 HD3 0.02 0.04 -0.02 -0.04 3.22 3.22 1lf6A1 ASN 131 H 0.08 0.18 0.10 -0.55 8.53 8.33 1lf6A1 ASN 131 HA 0.09 0.12 0.49 -0.75 4.76 4.71 1lf6A1 ASN 131 HB2 0.09 0.06 0.27 -0.04 2.88 3.26 1lf6A1 ASN 131 HB3 0.09 0.04 0.08 -0.04 2.79 2.97 1lf6A1 ASN 131 HD21 0.22 0.08 0.08 -0.04 7.03 7.37 1lf6A1 ASN 131 HD22 0.23 0.01 0.08 -0.04 7.74 8.01 1lf6A1 SER 132 H 0.08 0.47 0.28 -0.55 8.46 8.75 1lf6A1 SER 132 HA 0.13 0.31 0.98 -0.75 4.49 5.16 1lf6A1 SER 132 HB2 -0.01 0.04 -0.18 -0.04 3.95 3.76 1lf6A1 SER 132 HB3 0.03 -0.03 -0.37 -0.04 3.93 3.51 1lf6A1 LEU 133 H 0.07 0.83 0.37 -0.55 8.37 9.10 1lf6A1 LEU 133 HA -0.05 0.11 0.87 -0.75 4.35 4.53 1lf6A1 LEU 133 HB2 0.17 0.01 -0.03 -0.04 1.64 1.75 1lf6A1 LEU 133 HB3 0.06 -0.04 0.14 -0.04 1.64 1.75 1lf6A1 LEU 133 HG -0.15 0.04 -0.28 -0.04 1.64 1.20 1lf6A1 LEU 133 HD13 -0.32 0.03 -0.11 -0.04 0.93 0.48 1lf6A1 LEU 133 HD23 0.06 -0.01 -0.12 -0.04 0.89 0.78 1lf6A1 ILE 134 H -0.38 0.73 0.42 -0.55 8.25 8.47 1lf6A1 ILE 134 HA -0.17 0.28 1.14 -0.75 4.18 4.67 1lf6A1 ILE 134 HB -1.10 -0.01 -0.03 -0.04 1.89 0.72 1lf6A1 ILE 134 HG12 -0.13 0.04 -0.25 -0.04 1.49 1.11 1lf6A1 ILE 134 HG13 -0.22 -0.08 -0.47 -0.04 1.21 0.40 1lf6A1 ILE 134 HG23 -0.12 -0.01 -0.18 -0.04 0.93 0.58 1lf6A1 ILE 134 HD13 -0.14 -0.01 -0.26 -0.04 0.88 0.43 1lf6A1 MET 135 H -0.09 0.59 0.28 -0.55 8.47 8.70 1lf6A1 MET 135 HA -0.07 0.40 1.04 -0.75 4.52 5.13 1lf6A1 MET 135 HB2 -0.07 0.00 -0.09 -0.04 2.15 1.96 1lf6A1 MET 135 HB3 -0.01 -0.04 0.12 -0.04 2.03 2.05 1lf6A1 MET 135 HG2 0.05 -0.01 -0.47 -0.04 2.63 2.16 1lf6A1 MET 135 HG3 0.04 0.01 -0.10 -0.04 2.56 2.46 1lf6A1 MET 135 HE3 -0.00 -0.02 -0.12 -0.04 2.10 1.92 1lf6A1 LYS 136 H 0.06 0.56 0.35 -0.55 8.42 8.84 1lf6A1 LYS 136 HA -0.19 0.17 1.01 -0.75 4.32 4.56 1lf6A1 LYS 136 HB2 -0.30 -0.05 0.09 -0.04 1.87 1.57 1lf6A1 LYS 136 HB3 -0.04 -0.05 0.17 -0.04 1.79 1.83 1lf6A1 LYS 136 HG2 -0.25 0.02 -0.15 -0.04 1.46 1.03 1lf6A1 LYS 136 HG3 -0.37 0.10 0.01 -0.04 1.46 1.17 1lf6A1 LYS 136 HD2 -1.69 -0.06 -0.05 -0.04 1.69 -0.15 1lf6A1 LYS 136 HD3 -0.46 -0.01 -0.07 -0.04 1.68 1.10 1lf6A1 LYS 136 HE2 -0.25 0.02 -0.10 -0.04 2.99 2.62 1lf6A1 LYS 136 HE3 -0.37 0.01 -0.11 -0.04 2.99 2.49 1lf6A1 ALA 137 H -0.49 0.70 0.47 -0.55 8.40 8.53 1lf6A1 ALA 137 HA -0.17 0.46 1.07 -0.75 4.34 4.95 1lf6A1 ALA 137 HB3 -0.33 -0.03 -0.07 -0.04 1.41 0.94 1lf6A1 LYS 138 H -0.16 0.42 0.38 -0.55 8.42 8.51 1lf6A1 LYS 138 HA -0.12 0.37 1.11 -0.75 4.32 4.93 1lf6A1 LYS 138 HB2 -0.04 0.04 -0.01 -0.04 1.87 1.82 1lf6A1 LYS 138 HB3 -0.11 -0.03 -0.08 -0.04 1.79 1.52 1lf6A1 LYS 138 HG2 -0.07 0.03 0.09 -0.04 1.46 1.46 1lf6A1 LYS 138 HG3 -0.06 -0.03 -0.06 -0.04 1.46 1.26 1lf6A1 LYS 138 HD2 -0.04 0.03 -0.11 -0.04 1.69 1.53 1lf6A1 LYS 138 HD3 -0.05 -0.01 -0.08 -0.04 1.68 1.50 1lf6A1 LYS 138 HE2 -0.03 -0.01 -0.07 -0.04 2.99 2.84 1lf6A1 LYS 138 HE3 -0.04 -0.01 -0.10 -0.04 2.99 2.80 1lf6A1 PHE 139 H 0.17 0.69 0.37 -0.55 8.34 9.01 1lf6A1 PHE 139 HA -0.06 0.20 1.07 -0.75 4.62 5.07 1lf6A1 PHE 139 HB2 -0.08 -0.04 0.03 -0.04 3.15 3.02 1lf6A1 PHE 139 HB3 -0.01 0.01 0.17 -0.04 3.06 3.19 1lf6A1 PHE 139 HD2 -0.09 -0.04 -0.17 -0.04 7.28 6.94 1lf6A1 PHE 139 HE2 -0.22 -0.03 -0.14 -0.04 7.38 6.96 1lf6A1 PHE 139 HZ -0.55 0.01 -0.12 -0.04 7.32 6.62 1lf6A1 GLU 140 H -0.75 0.50 0.36 -0.55 8.60 8.17 1lf6A1 GLU 140 HA -0.13 0.16 0.97 -0.75 4.29 4.53 1lf6A1 GLU 140 HB2 -0.22 -0.04 0.07 -0.04 2.09 1.86 1lf6A1 GLU 140 HB3 -0.13 0.06 -0.12 -0.04 1.99 1.76 1lf6A1 GLU 140 HG2 -0.07 0.05 -0.17 -0.04 2.34 2.11 1lf6A1 GLU 140 HG3 -0.11 0.00 -0.34 -0.04 2.34 1.85 1lf6A1 ALA 141 H -0.02 0.16 0.06 -0.55 8.40 8.04 1lf6A1 ALA 141 HA -0.19 0.12 0.71 -0.75 4.34 4.23 1lf6A1 ALA 141 HB3 0.32 0.03 -0.19 -0.04 1.41 1.52 1lf6A1 LEU 142 H -0.12 0.39 0.13 -0.55 8.37 8.22 1lf6A1 LEU 142 HA -0.04 0.02 0.38 -0.75 4.35 3.96 1lf6A1 LEU 142 HB2 -0.08 -0.02 -0.43 -0.04 1.64 1.06 1lf6A1 LEU 142 HB3 -0.06 0.04 -0.13 -0.04 1.64 1.45 1lf6A1 LEU 142 HG -0.17 -0.10 -0.44 -0.04 1.64 0.89 1lf6A1 LEU 142 HD13 -0.15 -0.05 -0.22 -0.04 0.93 0.48 1lf6A1 LEU 142 HD23 -0.09 -0.01 -0.20 -0.04 0.89 0.56 1lf6A1 GLU 143 H 0.09 0.31 0.14 -0.55 8.60 8.59 1lf6A1 GLU 143 HA 0.07 0.16 0.94 -0.75 4.29 4.70 1lf6A1 GLU 143 HB2 0.06 -0.04 0.09 -0.04 2.09 2.16 1lf6A1 GLU 143 HB3 0.04 0.14 0.04 -0.04 1.99 2.17 1lf6A1 GLU 143 HG2 0.18 -0.07 0.14 -0.04 2.34 2.55 1lf6A1 GLU 143 HG3 0.19 -0.03 -0.26 -0.04 2.34 2.20 1lf6A1 GLY 144 H 0.09 0.10 0.11 -0.55 8.43 8.18 1lf6A1 GLY 144 HA2 0.08 -0.00 0.32 -0.51 4.01 3.89 1lf6A1 GLY 144 HA3 0.12 0.09 0.52 -0.51 4.01 4.23 1lf6A1 SER 145 H 0.07 0.13 0.17 -0.55 8.46 8.29 1lf6A1 SER 145 HA 0.16 0.27 0.90 -0.75 4.49 5.06 1lf6A1 SER 145 HB2 0.08 0.08 -0.00 -0.04 3.95 4.06 1lf6A1 SER 145 HB3 0.08 0.02 0.06 -0.04 3.93 4.05 1lf6A1 ILE 146 H 0.23 0.20 0.17 -0.55 8.25 8.29 1lf6A1 ILE 146 HA 0.48 0.12 0.41 -0.75 4.18 4.44 1lf6A1 ILE 146 HB 0.20 0.02 0.13 -0.04 1.89 2.20 1lf6A1 ILE 146 HG12 -0.01 0.01 -0.17 -0.04 1.49 1.28 1lf6A1 ILE 146 HG13 0.35 -0.01 0.00 -0.04 1.21 1.51 1lf6A1 ILE 146 HG23 0.01 0.02 0.01 -0.04 0.93 0.92 1lf6A1 ILE 146 HD13 0.08 0.02 -0.02 -0.04 0.88 0.93 1lf6A1 HIS 147 H 0.35 0.06 -0.13 -0.55 8.41 8.15 1lf6A1 HIS 147 HA 0.01 0.11 0.40 -0.75 4.63 4.40 1lf6A1 HIS 147 HB2 0.00 -0.02 0.00 -0.04 3.26 3.21 1lf6A1 HIS 147 HB3 -0.01 0.06 0.12 -0.04 3.20 3.32 1lf6A1 HIS 147 HD2 -0.01 0.03 0.04 -0.04 6.97 6.98 1lf6A1 HIS 147 HE1 0.02 0.03 0.01 -0.04 7.75 7.77 1lf6A1 ASP 148 H 0.05 0.27 -0.86 -0.55 8.40 7.31 1lf6A1 ASP 148 HA -0.10 0.16 0.70 -0.75 4.63 4.64 1lf6A1 ASP 148 HB2 -0.40 0.22 0.12 -0.04 2.71 2.61 1lf6A1 ASP 148 HB3 -0.29 -0.02 0.19 -0.04 2.70 2.54 1lf6A1 TYR 149 H 0.04 0.45 -0.19 -0.55 8.29 8.04 1lf6A1 TYR 149 HA -0.00 0.27 1.12 -0.75 4.56 5.19 1lf6A1 TYR 149 HB2 -0.04 0.02 0.05 -0.04 3.06 3.06 1lf6A1 TYR 149 HB3 -0.09 -0.05 0.03 -0.04 2.98 2.83 1lf6A1 TYR 149 HD2 0.31 -0.02 -0.09 -0.04 7.15 7.31 1lf6A1 TYR 149 HE2 0.43 0.00 -0.12 -0.04 6.85 7.12 1lf6A1 LYS 150 H 0.04 0.67 0.41 -0.55 8.42 8.98 1lf6A1 LYS 150 HA -0.25 0.14 0.91 -0.75 4.32 4.37 1lf6A1 LYS 150 HB2 0.10 -0.04 0.03 -0.04 1.87 1.91 1lf6A1 LYS 150 HB3 -0.34 -0.05 -0.05 -0.04 1.79 1.30 1lf6A1 LYS 150 HG2 0.07 -0.00 -0.08 -0.04 1.46 1.41 1lf6A1 LYS 150 HG3 -0.09 0.02 -0.04 -0.04 1.46 1.31 1lf6A1 LYS 150 HD2 -0.04 -0.06 -0.90 -0.04 1.69 0.65 1lf6A1 LYS 150 HD3 -0.01 -0.08 -0.50 -0.04 1.68 1.04 1lf6A1 LYS 150 HE2 -0.01 0.00 -0.12 -0.04 2.99 2.82 1lf6A1 LYS 150 HE3 -0.03 -0.03 -0.14 -0.04 2.99 2.75 1lf6A1 LEU 151 H -0.50 0.25 0.23 -0.55 8.37 7.80 1lf6A1 LEU 151 HA -0.22 0.26 1.15 -0.75 4.35 4.78 1lf6A1 LEU 151 HB2 -0.63 0.01 -0.07 -0.04 1.64 0.92 1lf6A1 LEU 151 HB3 -0.36 0.00 0.16 -0.04 1.64 1.40 1lf6A1 LEU 151 HG 0.00 -0.01 -0.26 -0.04 1.64 1.33 1lf6A1 LEU 151 HD13 -0.19 0.01 -0.07 -0.04 0.93 0.64 1lf6A1 LEU 151 HD23 -0.25 -0.00 -0.11 -0.04 0.89 0.48 1lf6A1 TYR 152 H 0.19 0.83 0.41 -0.55 8.29 9.17 1lf6A1 TYR 152 HA 0.08 0.23 1.22 -0.75 4.56 5.34 1lf6A1 TYR 152 HB2 0.04 -0.05 -0.02 -0.04 3.06 3.00 1lf6A1 TYR 152 HB3 0.02 -0.01 -0.06 -0.04 2.98 2.89 1lf6A1 TYR 152 HD2 -0.00 0.10 -0.24 -0.04 7.15 6.96 1lf6A1 TYR 152 HE2 -0.03 0.02 -0.18 -0.04 6.85 6.62 1lf6A1 LEU 153 H 0.18 0.88 0.42 -0.55 8.37 9.29 1lf6A1 LEU 153 HA -0.01 0.23 0.98 -0.75 4.35 4.79 1lf6A1 LEU 153 HB2 0.25 -0.02 -0.07 -0.04 1.64 1.76 1lf6A1 LEU 153 HB3 0.07 -0.01 0.10 -0.04 1.64 1.76 1lf6A1 LEU 153 HG -0.08 -0.01 -0.29 -0.04 1.64 1.22 1lf6A1 LEU 153 HD13 -0.68 0.05 -0.19 -0.04 0.93 0.07 1lf6A1 LEU 153 HD23 0.20 -0.00 -0.14 -0.04 0.89 0.91 1lf6A1 ALA 154 H -0.04 0.77 0.27 -0.55 8.40 8.85 1lf6A1 ALA 154 HA -0.01 0.16 0.91 -0.75 4.34 4.65 1lf6A1 ALA 154 HB3 0.01 -0.03 -0.08 -0.04 1.41 1.26 1lf6A1 TYR 155 H 0.04 0.78 0.20 -0.55 8.29 8.75 1lf6A1 TYR 155 HA -0.08 0.19 0.95 -0.75 4.56 4.86 1lf6A1 TYR 155 HB2 -0.11 -0.02 0.01 -0.04 3.06 2.90 1lf6A1 TYR 155 HB3 -0.14 0.13 0.24 -0.04 2.98 3.18 1lf6A1 TYR 155 HD2 -0.10 0.03 -0.02 -0.04 7.15 7.03 1lf6A1 TYR 155 HE2 -0.06 0.01 -0.17 -0.04 6.85 6.58 1lf6A1 ASP 156 H -0.19 0.69 0.26 -0.55 8.40 8.62 1lf6A1 ASP 156 HA -0.34 0.25 1.09 -0.75 4.63 4.88 1lf6A1 ASP 156 HB2 -0.20 -0.06 -0.06 -0.04 2.71 2.35 1lf6A1 ASP 156 HB3 -0.27 -0.16 0.22 -0.04 2.70 2.45 1lf6A1 PRO 157 HA -0.23 0.07 0.76 -0.51 4.44 4.53 1lf6A1 PRO 157 HB2 -0.08 0.01 -0.01 -0.04 2.28 2.16 1lf6A1 PRO 157 HB3 -0.37 -0.01 0.00 -0.04 2.02 1.61 1lf6A1 PRO 157 HG2 -0.18 0.06 0.10 -0.04 2.03 1.98 1lf6A1 PRO 157 HG3 -0.23 0.02 -0.03 -0.04 2.03 1.74 1lf6A1 PRO 157 HD2 -0.35 0.19 0.19 -0.04 3.68 3.68 1lf6A1 PRO 157 HD3 -1.01 0.10 -0.11 -0.04 3.65 2.59 1lf6A1 HIS 158 H 0.10 0.60 -0.01 -0.55 8.41 8.56 1lf6A1 HIS 158 HA -0.11 0.31 0.63 -0.75 4.63 4.70 1lf6A1 HIS 158 HB2 -0.00 -0.12 -0.40 -0.04 3.26 2.70 1lf6A1 HIS 158 HB3 -0.13 -0.05 -0.34 -0.04 3.20 2.63 1lf6A1 HIS 158 HD2 -0.27 0.38 -0.66 -0.04 6.97 6.37 1lf6A1 HIS 158 HE1 -0.70 0.01 -0.19 -0.04 7.75 6.82 1lf6A1 ILE 159 H 0.07 0.09 -0.16 -0.55 8.25 7.70 1lf6A1 ILE 159 HA 0.17 -0.07 0.50 -0.75 4.18 4.02 1lf6A1 ILE 159 HB 0.05 0.04 -0.02 -0.04 1.89 1.92 1lf6A1 ILE 159 HG12 0.14 -0.00 -0.07 -0.04 1.49 1.52 1lf6A1 ILE 159 HG13 0.06 -0.05 -0.04 -0.04 1.21 1.14 1lf6A1 ILE 159 HG23 0.10 0.02 -0.05 -0.04 0.93 0.96 1lf6A1 ILE 159 HD13 0.01 0.04 -0.29 -0.04 0.88 0.59 1lf6A1 LYS 160 H 0.15 0.09 0.21 -0.55 8.42 8.32 1lf6A1 LYS 160 HA 0.09 -0.01 0.38 -0.75 4.32 4.03 1lf6A1 LYS 160 HB2 0.08 0.12 -0.20 -0.04 1.87 1.82 1lf6A1 LYS 160 HB3 0.06 -0.03 0.23 -0.04 1.79 2.02 1lf6A1 LYS 160 HG2 0.07 0.01 0.09 -0.04 1.46 1.59 1lf6A1 LYS 160 HG3 0.09 0.01 -0.00 -0.04 1.46 1.51 1lf6A1 LYS 160 HD2 0.04 -0.01 -0.02 -0.04 1.69 1.66 1lf6A1 LYS 160 HD3 0.03 0.01 0.04 -0.04 1.68 1.72 1lf6A1 LYS 160 HE2 0.03 0.03 0.04 -0.04 2.99 3.04 1lf6A1 LYS 160 HE3 0.06 -0.05 0.05 -0.04 2.99 3.00 1lf6A1 ASN 161 H 0.19 0.78 0.17 -0.55 8.53 9.13 1lf6A1 ASN 161 HA 0.45 0.02 0.30 -0.75 4.76 4.78 1lf6A1 ASN 161 HB2 0.13 0.15 0.01 -0.04 2.88 3.12 1lf6A1 ASN 161 HB3 0.15 -0.22 0.29 -0.04 2.79 2.97 1lf6A1 ASN 161 HD21 0.01 0.17 0.23 -0.04 7.03 7.40 1lf6A1 ASN 161 HD22 0.05 0.02 -0.14 -0.04 7.74 7.63 1lf6A1 GLN 162 H 0.20 0.42 -0.55 -0.55 8.47 8.00 1lf6A1 GLN 162 HA 0.05 0.45 0.72 -0.75 4.36 4.83 1lf6A1 GLN 162 HB2 0.01 -0.19 0.05 -0.04 2.15 1.97 1lf6A1 GLN 162 HB3 0.09 0.00 -0.17 -0.04 2.02 1.90 1lf6A1 GLN 162 HG2 0.06 0.22 -0.08 -0.04 2.40 2.55 1lf6A1 GLN 162 HG3 -0.00 0.11 -0.24 -0.04 2.39 2.22 1lf6A1 GLN 162 HE21 0.04 -0.12 -0.14 -0.04 6.97 6.71 1lf6A1 GLN 162 HE22 0.06 0.57 -0.21 -0.04 7.69 8.07 1lf6A1 GLY 163 H -0.51 0.15 -0.00 -0.55 8.43 7.52 1lf6A1 GLY 163 HA2 -1.03 0.18 0.60 -0.51 4.01 3.25 1lf6A1 GLY 163 HA3 -1.38 -0.07 0.25 -0.51 4.01 2.30 1lf6A1 SER 164 H -0.18 -0.01 -0.19 -0.55 8.46 7.54 1lf6A1 SER 164 HA -0.05 0.07 0.35 -0.75 4.49 4.10 1lf6A1 SER 164 HB2 0.02 -0.02 0.01 -0.04 3.95 3.92 1lf6A1 SER 164 HB3 -0.05 -0.04 -0.01 -0.04 3.93 3.79 1lf6A1 TYR 165 H 0.11 0.00 0.05 -0.55 8.29 7.90 1lf6A1 TYR 165 HA 0.00 -0.05 0.26 -0.75 4.56 4.02 1lf6A1 TYR 165 HB2 -0.02 -0.07 -0.16 -0.04 3.06 2.77 1lf6A1 TYR 165 HB3 -0.02 0.15 0.08 -0.04 2.98 3.15 1lf6A1 TYR 165 HD2 -0.01 0.00 0.04 -0.04 7.15 7.15 1lf6A1 TYR 165 HE2 -0.01 -0.01 -0.01 -0.04 6.85 6.78 1lf6A1 ASN 166 H -0.04 0.59 0.06 -0.55 8.53 8.59 1lf6A1 ASN 166 HA -0.05 0.19 0.82 -0.75 4.76 4.97 1lf6A1 ASN 166 HB2 -0.07 0.16 0.27 -0.04 2.88 3.20 1lf6A1 ASN 166 HB3 -0.07 -0.11 -0.02 -0.04 2.79 2.55 1lf6A1 ASN 166 HD21 -0.11 0.31 0.07 -0.04 7.03 7.27 1lf6A1 ASN 166 HD22 -0.11 0.16 -0.46 -0.04 7.74 7.29 1lf6A1 GLU 167 H -0.08 0.54 0.35 -0.55 8.60 8.86 1lf6A1 GLU 167 HA -0.10 0.14 0.94 -0.75 4.29 4.52 1lf6A1 GLU 167 HB2 -0.14 0.00 0.11 -0.04 2.09 2.03 1lf6A1 GLU 167 HB3 0.00 -0.04 0.20 -0.04 1.99 2.11 1lf6A1 GLU 167 HG2 0.09 0.03 -0.19 -0.04 2.34 2.22 1lf6A1 GLU 167 HG3 -0.07 -0.00 0.02 -0.04 2.34 2.25 1lf6A1 GLY 168 H -0.03 0.82 0.46 -0.55 8.43 9.14 1lf6A1 GLY 168 HA2 -0.08 0.32 1.14 -0.51 4.01 4.87 1lf6A1 GLY 168 HA3 -0.08 -0.06 0.32 -0.51 4.01 3.68 1lf6A1 TYR 169 H -0.35 0.67 0.36 -0.55 8.29 8.41 1lf6A1 TYR 169 HA -0.13 0.26 0.51 -0.75 4.56 4.44 1lf6A1 TYR 169 HB2 -0.17 0.02 0.24 -0.04 3.06 3.11 1lf6A1 TYR 169 HB3 -0.10 0.06 0.04 -0.04 2.98 2.94 1lf6A1 TYR 169 HD2 -0.10 0.02 -0.43 -0.04 7.15 6.60 1lf6A1 TYR 169 HE2 -0.01 -0.01 -0.20 -0.04 6.85 6.59 1lf6A1 VAL 170 H -0.20 0.38 0.39 -0.55 8.24 8.26 1lf6A1 VAL 170 HA -0.31 0.20 1.26 -0.75 4.13 4.53 1lf6A1 VAL 170 HB -0.64 0.00 0.19 -0.04 2.12 1.62 1lf6A1 VAL 170 HG13 -0.49 0.04 -0.01 -0.04 0.97 0.46 1lf6A1 VAL 170 HG23 -0.44 -0.00 -0.09 -0.04 0.95 0.38 1lf6A1 ILE 171 H -0.15 0.53 0.39 -0.55 8.25 8.47 1lf6A1 ILE 171 HA -0.12 0.24 1.01 -0.75 4.18 4.55 1lf6A1 ILE 171 HB 0.05 -0.10 -0.02 -0.04 1.89 1.77 1lf6A1 ILE 171 HG12 -0.06 0.08 -0.03 -0.04 1.49 1.45 1lf6A1 ILE 171 HG13 0.01 -0.01 -0.32 -0.04 1.21 0.86 1lf6A1 ILE 171 HG23 0.10 -0.03 -0.24 -0.04 0.93 0.71 1lf6A1 ILE 171 HD13 0.02 -0.02 -0.17 -0.04 0.88 0.67 1lf6A1 LYS 172 H 0.12 0.26 0.21 -0.55 8.42 8.45 1lf6A1 LYS 172 HA 0.11 0.34 0.79 -0.75 4.32 4.81 1lf6A1 LYS 172 HB2 0.25 0.06 -0.16 -0.04 1.87 1.98 1lf6A1 LYS 172 HB3 0.13 -0.06 0.16 -0.04 1.79 1.98 1lf6A1 LYS 172 HG2 0.06 -0.20 -0.22 -0.04 1.46 1.06 1lf6A1 LYS 172 HG3 0.10 0.05 -0.34 -0.04 1.46 1.23 1lf6A1 LYS 172 HD2 0.05 0.04 -0.10 -0.04 1.69 1.64 1lf6A1 LYS 172 HD3 0.04 -0.02 -0.06 -0.04 1.68 1.60 1lf6A1 LYS 172 HE2 0.03 -0.10 -0.07 -0.04 2.99 2.81 1lf6A1 LYS 172 HE3 0.05 0.06 -0.16 -0.04 2.99 2.89 1lf6A1 ALA 173 H 0.05 0.76 0.21 -0.55 8.40 8.87 1lf6A1 ALA 173 HA 0.03 0.20 0.90 -0.75 4.34 4.72 1lf6A1 ALA 173 HB3 0.01 0.01 -0.03 -0.04 1.41 1.37 1lf6A1 ASN 174 H 0.02 0.45 0.17 -0.55 8.53 8.63 1lf6A1 ASN 174 HA 0.01 0.04 0.36 -0.75 4.76 4.42 1lf6A1 ASN 174 HB2 0.01 0.13 -0.18 -0.04 2.88 2.80 1lf6A1 ASN 174 HB3 0.00 0.06 0.18 -0.04 2.79 3.00 1lf6A1 ASN 174 HD21 0.01 0.09 0.04 -0.04 7.03 7.13 1lf6A1 ASN 174 HD22 0.00 0.05 0.02 -0.04 7.74 7.77 1lf6A1 ASN 175 H 0.03 0.08 -0.22 -0.55 8.53 7.87 1lf6A1 ASN 175 HA 0.03 -0.02 0.18 -0.75 4.76 4.19 1lf6A1 ASN 175 HB2 0.00 0.26 -0.02 -0.04 2.88 3.09 1lf6A1 ASN 175 HB3 0.00 -0.01 0.17 -0.04 2.79 2.92 1lf6A1 ASN 175 HD21 0.00 -0.01 -0.09 -0.04 7.03 6.89 1lf6A1 ASN 175 HD22 0.00 0.10 -0.19 -0.04 7.74 7.61 1lf6A1 ASN 176 H 0.03 0.10 -0.64 -0.55 8.53 7.47 1lf6A1 ASN 176 HA 0.00 0.17 0.92 -0.75 4.76 5.11 1lf6A1 ASN 176 HB2 0.01 0.45 0.08 -0.04 2.88 3.37 1lf6A1 ASN 176 HB3 0.01 -0.14 -0.04 -0.04 2.79 2.58 1lf6A1 ASN 176 HD21 -0.03 -0.01 -0.03 -0.04 7.03 6.92 1lf6A1 ASN 176 HD22 -0.01 0.13 -0.05 -0.04 7.74 7.76 1lf6A1 GLU 177 H 0.07 0.19 0.13 -0.55 8.60 8.44 1lf6A1 GLU 177 HA 0.15 0.23 0.79 -0.75 4.29 4.70 1lf6A1 GLU 177 HB2 0.31 -0.07 0.23 -0.04 2.09 2.52 1lf6A1 GLU 177 HB3 0.36 0.01 0.02 -0.04 1.99 2.33 1lf6A1 GLU 177 HG2 0.23 0.07 0.00 -0.04 2.34 2.59 1lf6A1 GLU 177 HG3 0.16 -0.01 -0.02 -0.04 2.34 2.43 1lf6A1 MET 178 H 0.07 0.39 0.29 -0.55 8.47 8.68 1lf6A1 MET 178 HA 0.25 0.38 1.12 -0.75 4.52 5.51 1lf6A1 MET 178 HB2 -0.00 -0.12 -0.01 -0.04 2.15 1.97 1lf6A1 MET 178 HB3 -0.01 -0.01 -0.14 -0.04 2.03 1.83 1lf6A1 MET 178 HG2 0.06 0.04 -0.27 -0.04 2.63 2.42 1lf6A1 MET 178 HG3 0.05 0.03 -0.44 -0.04 2.56 2.16 1lf6A1 MET 178 HE3 -0.00 0.04 -0.12 -0.04 2.10 1.97 1lf6A1 LEU 179 H -0.02 0.48 0.31 -0.55 8.37 8.59 1lf6A1 LEU 179 HA -0.26 0.12 0.82 -0.75 4.35 4.28 1lf6A1 LEU 179 HB2 -0.23 -0.03 0.21 -0.04 1.64 1.54 1lf6A1 LEU 179 HB3 -0.18 0.03 0.03 -0.04 1.64 1.48 1lf6A1 LEU 179 HG -0.31 0.01 -0.02 -0.04 1.64 1.28 1lf6A1 LEU 179 HD13 -0.57 -0.01 -0.14 -0.04 0.93 0.17 1lf6A1 LEU 179 HD23 -0.41 0.00 -0.14 -0.04 0.89 0.30 1lf6A1 MET 180 H -0.40 0.76 0.51 -0.55 8.47 8.79 1lf6A1 MET 180 HA -0.25 0.35 1.10 -0.75 4.52 4.96 1lf6A1 MET 180 HB2 -1.66 -0.05 -0.03 -0.04 2.15 0.36 1lf6A1 MET 180 HB3 -0.51 -0.01 0.05 -0.04 2.03 1.53 1lf6A1 MET 180 HG2 -0.29 0.09 -0.06 -0.04 2.63 2.32 1lf6A1 MET 180 HG3 -0.17 -0.08 -0.13 -0.04 2.56 2.14 1lf6A1 MET 180 HE3 -0.02 -0.01 -0.11 -0.04 2.10 1.92 1lf6A1 ALA 181 H -0.14 0.47 0.41 -0.55 8.40 8.59 1lf6A1 ALA 181 HA -0.11 0.38 0.94 -0.75 4.34 4.78 1lf6A1 ALA 181 HB3 0.01 -0.01 -0.03 -0.04 1.41 1.34 1lf6A1 LYS 182 H -0.02 0.56 0.39 -0.55 8.42 8.79 1lf6A1 LYS 182 HA -0.17 0.35 0.84 -0.75 4.32 4.58 1lf6A1 LYS 182 HB2 -0.84 0.04 -0.00 -0.04 1.87 1.02 1lf6A1 LYS 182 HB3 -0.30 -0.04 -0.19 -0.04 1.79 1.22 1lf6A1 LYS 182 HG2 0.27 -0.06 -0.15 -0.04 1.46 1.48 1lf6A1 LYS 182 HG3 0.09 0.06 0.04 -0.04 1.46 1.61 1lf6A1 LYS 182 HD2 -0.03 -0.04 -0.09 -0.04 1.69 1.50 1lf6A1 LYS 182 HD3 -0.13 0.01 -0.34 -0.04 1.68 1.19 1lf6A1 LYS 182 HE2 -0.51 0.09 -0.11 -0.04 2.99 2.42 1lf6A1 LYS 182 HE3 0.10 -0.07 -0.09 -0.04 2.99 2.90 1lf6A1 ARG 183 H -0.20 0.48 0.08 -0.55 8.46 8.27 1lf6A1 ARG 183 HA -0.02 0.03 0.55 -0.75 4.34 4.15 1lf6A1 ARG 183 HB2 0.01 0.07 -0.07 -0.04 1.90 1.87 1lf6A1 ARG 183 HB3 0.03 -0.07 0.01 -0.04 1.80 1.73 1lf6A1 ARG 183 HG2 0.06 -0.11 0.00 -0.04 1.67 1.58 1lf6A1 ARG 183 HG3 0.09 0.19 0.15 -0.04 1.67 2.05 1lf6A1 ARG 183 HD2 0.06 0.19 -0.04 -0.04 3.22 3.39 1lf6A1 ARG 183 HD3 0.06 -0.07 -0.18 -0.04 3.22 2.99 1lf6A1 ASP 184 H 0.00 0.14 0.14 -0.55 8.40 8.13 1lf6A1 ASP 184 HA 0.03 0.05 0.37 -0.75 4.63 4.32 1lf6A1 ASP 184 HB2 0.03 0.24 0.04 -0.04 2.71 2.99 1lf6A1 ASP 184 HB3 0.04 -0.14 0.30 -0.04 2.70 2.85 1lf6A1 ASN 185 H 0.06 0.14 0.23 -0.55 8.53 8.41 1lf6A1 ASN 185 HA 0.20 0.18 0.67 -0.75 4.76 5.05 1lf6A1 ASN 185 HB2 0.14 -0.00 0.26 -0.04 2.88 3.24 1lf6A1 ASN 185 HB3 0.10 -0.01 0.13 -0.04 2.79 2.96 1lf6A1 ASN 185 HD21 0.05 0.00 0.01 -0.04 7.03 7.05 1lf6A1 ASN 185 HD22 0.09 -0.02 0.04 -0.04 7.74 7.81 1lf6A1 VAL 186 H 0.02 0.43 -0.31 -0.55 8.24 7.83 1lf6A1 VAL 186 HA 0.34 0.26 1.16 -0.75 4.13 5.13 1lf6A1 VAL 186 HB 0.13 0.04 0.15 -0.04 2.12 2.41 1lf6A1 VAL 186 HG13 0.41 -0.01 -0.13 -0.04 0.97 1.20 1lf6A1 VAL 186 HG23 0.17 -0.02 -0.04 -0.04 0.95 1.02 1lf6A1 TYR 187 H 0.41 0.66 0.38 -0.55 8.29 9.19 1lf6A1 TYR 187 HA 0.07 0.35 1.16 -0.75 4.56 5.39 1lf6A1 TYR 187 HB2 0.06 -0.08 -0.13 -0.04 3.06 2.87 1lf6A1 TYR 187 HB3 0.02 0.01 -0.13 -0.04 2.98 2.84 1lf6A1 TYR 187 HD2 0.13 0.09 -0.39 -0.04 7.15 6.93 1lf6A1 TYR 187 HE2 0.10 0.09 -0.18 -0.04 6.85 6.83 1lf6A1 THR 188 H 0.03 0.63 0.42 -0.55 8.28 8.81 1lf6A1 THR 188 HA -0.35 0.38 1.14 -0.75 4.39 4.80 1lf6A1 THR 188 HB -0.42 0.02 0.01 -0.04 4.32 3.89 1lf6A1 THR 188 HG23 0.01 0.01 -0.23 -0.04 1.22 0.97 1lf6A1 ALA 189 H -0.33 0.61 0.28 -0.55 8.40 8.42 1lf6A1 ALA 189 HA -0.15 0.25 0.89 -0.75 4.34 4.58 1lf6A1 ALA 189 HB3 -0.09 -0.02 -0.20 -0.04 1.41 1.05 1lf6A1 LEU 190 H -0.14 0.70 0.28 -0.55 8.37 8.66 1lf6A1 LEU 190 HA -0.14 0.25 1.03 -0.75 4.35 4.73 1lf6A1 LEU 190 HB2 -0.40 0.02 0.08 -0.04 1.64 1.30 1lf6A1 LEU 190 HB3 -0.14 -0.13 0.20 -0.04 1.64 1.54 1lf6A1 LEU 190 HG -0.40 -0.02 -0.03 -0.04 1.64 1.15 1lf6A1 LEU 190 HD13 -0.27 -0.02 -0.07 -0.04 0.93 0.53 1lf6A1 LEU 190 HD23 0.33 -0.00 -0.09 -0.04 0.89 1.08 1lf6A1 SER 191 H 0.07 0.72 0.42 -0.55 8.46 9.13 1lf6A1 SER 191 HA 0.33 0.23 0.96 -0.75 4.49 5.25 1lf6A1 SER 191 HB2 -0.03 0.02 0.01 -0.04 3.95 3.92 1lf6A1 SER 191 HB3 0.03 -0.03 -0.23 -0.04 3.93 3.66 1lf6A1 SER 192 H -0.39 0.30 0.22 -0.55 8.46 8.04 1lf6A1 SER 192 HA -0.30 0.32 1.05 -0.75 4.49 4.80 1lf6A1 SER 192 HB2 -2.15 0.04 -0.14 -0.04 3.95 1.66 1lf6A1 SER 192 HB3 -1.40 -0.10 0.07 -0.04 3.93 2.46 1lf6A1 ASN 193 H -0.12 0.48 0.34 -0.55 8.53 8.69 1lf6A1 ASN 193 HA -0.10 0.13 0.50 -0.75 4.76 4.54 1lf6A1 ASN 193 HB2 -0.04 0.09 0.16 -0.04 2.88 3.05 1lf6A1 ASN 193 HB3 -0.04 0.03 0.20 -0.04 2.79 2.93 1lf6A1 ASN 193 HD21 -0.01 0.05 0.05 -0.04 7.03 7.08 1lf6A1 ASN 193 HD22 -0.03 0.06 0.02 -0.04 7.74 7.75 1lf6A1 ILE 194 H -0.21 0.00 -0.17 -0.55 8.25 7.32 1lf6A1 ILE 194 HA -0.12 0.25 0.89 -0.75 4.18 4.45 1lf6A1 ILE 194 HB -0.12 0.02 0.13 -0.04 1.89 1.88 1lf6A1 ILE 194 HG12 -0.14 -0.19 0.03 -0.04 1.49 1.15 1lf6A1 ILE 194 HG13 -0.29 0.25 -0.23 -0.04 1.21 0.89 1lf6A1 ILE 194 HG23 -0.04 -0.01 -0.05 -0.04 0.93 0.79 1lf6A1 ILE 194 HD13 -0.24 -0.00 -0.07 -0.04 0.88 0.53 1lf6A1 GLY 195 H -0.40 0.16 -0.38 -0.55 8.43 7.26 1lf6A1 GLY 195 HA2 -0.61 0.03 0.39 -0.51 4.01 3.31 1lf6A1 GLY 195 HA3 -0.25 0.13 0.48 -0.51 4.01 3.86 1lf6A1 TRP 196 H -0.02 0.17 0.22 -0.55 7.97 7.80 1lf6A1 TRP 196 HA -0.04 0.22 1.04 -0.75 4.62 5.09 1lf6A1 TRP 196 HB2 0.13 -0.03 -0.02 -0.04 3.23 3.27 1lf6A1 TRP 196 HB3 0.06 0.08 0.13 -0.04 3.23 3.46 1lf6A1 TRP 196 HD1 0.09 -0.04 -0.01 -0.04 7.22 7.23 1lf6A1 TRP 196 HE1 -0.02 0.34 0.12 -0.04 10.20 10.59 1lf6A1 TRP 196 HE3 -0.02 0.07 -0.13 -0.04 7.59 7.47 1lf6A1 TRP 196 HZ2 -0.05 -0.00 -0.49 -0.04 7.44 6.86 1lf6A1 TRP 196 HZ3 0.02 -0.03 -0.16 -0.04 7.13 6.92 1lf6A1 TRP 196 HH2 -0.02 0.01 -0.20 -0.04 7.19 6.94 1lf6A1 LYS 197 H 0.16 0.65 0.32 -0.55 8.42 9.00 1lf6A1 LYS 197 HA 0.02 0.14 0.61 -0.75 4.32 4.33 1lf6A1 LYS 197 HB2 -0.04 -0.11 -0.04 -0.04 1.87 1.64 1lf6A1 LYS 197 HB3 -0.00 -0.01 -0.17 -0.04 1.79 1.57 1lf6A1 LYS 197 HG2 -0.02 0.03 0.02 -0.04 1.46 1.45 1lf6A1 LYS 197 HG3 -0.03 0.03 0.09 -0.04 1.46 1.51 1lf6A1 LYS 197 HD2 -0.08 -0.12 -0.02 -0.04 1.69 1.42 1lf6A1 LYS 197 HD3 -0.08 0.00 -0.10 -0.04 1.68 1.47 1lf6A1 LYS 197 HE2 -0.03 0.03 -0.00 -0.04 2.99 2.95 1lf6A1 LYS 197 HE3 -0.04 0.01 0.02 -0.04 2.99 2.94 1lf6A1 GLY 198 H 0.21 0.12 -0.06 -0.55 8.43 8.16 1lf6A1 GLY 198 HA2 -0.16 0.09 0.32 -0.51 4.01 3.74 1lf6A1 GLY 198 HA3 0.01 0.12 0.40 -0.51 4.01 4.03 1lf6A1 TYR 199 H -0.44 0.29 0.19 -0.55 8.29 7.78 1lf6A1 TYR 199 HA -0.07 0.20 0.97 -0.75 4.56 4.90 1lf6A1 TYR 199 HB2 -0.17 0.02 0.09 -0.04 3.06 2.96 1lf6A1 TYR 199 HB3 -0.25 -0.02 -0.09 -0.04 2.98 2.59 1lf6A1 TYR 199 HD2 0.08 0.05 -0.32 -0.04 7.15 6.91 1lf6A1 TYR 199 HE2 0.17 0.02 -0.09 -0.04 6.85 6.91 1lf6A1 SER 200 H 0.07 0.53 0.24 -0.55 8.46 8.76 1lf6A1 SER 200 HA 0.17 0.35 0.44 -0.75 4.49 4.69 1lf6A1 SER 200 HB2 -0.12 0.34 -0.07 -0.04 3.95 4.06 1lf6A1 SER 200 HB3 -0.06 -0.13 -0.08 -0.04 3.93 3.61 1lf6A1 ILE 201 H 0.13 0.47 0.04 -0.55 8.25 8.33 1lf6A1 ILE 201 HA -0.05 0.22 0.99 -0.75 4.18 4.59 1lf6A1 ILE 201 HB -0.03 -0.10 -0.16 -0.04 1.89 1.56 1lf6A1 ILE 201 HG12 -0.09 0.02 -0.13 -0.04 1.49 1.25 1lf6A1 ILE 201 HG13 -0.02 0.02 -0.23 -0.04 1.21 0.93 1lf6A1 ILE 201 HG23 -0.13 -0.01 -0.26 -0.04 0.93 0.49 1lf6A1 ILE 201 HD13 -0.11 -0.00 -0.38 -0.04 0.88 0.34 1lf6A1 GLY 202 H -0.05 0.38 0.20 -0.55 8.43 8.41 1lf6A1 GLY 202 HA2 -0.21 0.21 0.87 -0.51 4.01 4.37 1lf6A1 GLY 202 HA3 0.01 0.15 0.10 -0.51 4.01 3.76 1lf6A1 TYR 203 H -0.02 0.13 -0.00 -0.55 8.29 7.85 1lf6A1 TYR 203 HA 0.01 0.31 0.70 -0.75 4.56 4.82 1lf6A1 TYR 203 HB2 -0.03 -0.03 0.02 -0.04 3.06 2.98 1lf6A1 TYR 203 HB3 -0.01 0.09 -0.16 -0.04 2.98 2.86 1lf6A1 TYR 203 HD2 -0.07 0.25 -0.35 -0.04 7.15 6.94 1lf6A1 TYR 203 HE2 -0.11 0.08 -0.51 -0.04 6.85 6.28 1lf6A1 TYR 204 H 0.25 1.04 0.37 -0.55 8.29 9.39 1lf6A1 TYR 204 HA 0.01 -0.16 0.34 -0.75 4.56 3.99 1lf6A1 TYR 204 HB2 0.00 0.08 -0.06 -0.04 3.06 3.04 1lf6A1 TYR 204 HB3 0.02 0.16 0.15 -0.04 2.98 3.26 1lf6A1 TYR 204 HD2 -0.01 0.08 -0.20 -0.04 7.15 6.98 1lf6A1 TYR 204 HE2 -0.00 0.10 -0.05 -0.04 6.85 6.85 1lf6A1 LYS 205 H -0.15 0.02 0.16 -0.55 8.42 7.90 1lf6A1 LYS 205 HA -0.22 -0.02 0.31 -0.75 4.32 3.64 1lf6A1 LYS 205 HB2 -0.41 0.17 -0.05 -0.04 1.87 1.53 1lf6A1 LYS 205 HB3 -0.24 0.05 0.22 -0.04 1.79 1.77 1lf6A1 LYS 205 HG2 -0.43 -0.01 0.02 -0.04 1.46 1.00 1lf6A1 LYS 205 HG3 -1.68 -0.07 -0.15 -0.04 1.46 -0.48 1lf6A1 LYS 205 HD2 -0.40 0.04 -0.07 -0.04 1.69 1.23 1lf6A1 LYS 205 HD3 -0.22 0.01 0.00 -0.04 1.68 1.43 1lf6A1 LYS 205 HE2 -0.14 -0.02 -0.03 -0.04 2.99 2.75 1lf6A1 LYS 205 HE3 -0.23 -0.01 -0.06 -0.04 2.99 2.66 1lf6A1 VAL 206 H 0.00 0.27 -0.30 -0.55 8.24 7.67 1lf6A1 VAL 206 HA -0.02 0.26 0.95 -0.75 4.13 4.57 1lf6A1 VAL 206 HB 0.12 -0.21 0.10 -0.04 2.12 2.10 1lf6A1 VAL 206 HG13 0.03 0.08 -0.03 -0.04 0.97 1.00 1lf6A1 VAL 206 HG23 -0.01 0.07 -0.15 -0.04 0.95 0.82 1lf6A1 ASN 207 H 0.09 0.23 0.16 -0.55 8.53 8.47 1lf6A1 ASN 207 HA 0.05 0.24 0.70 -0.75 4.76 5.00 1lf6A1 ASN 207 HB2 0.26 -0.04 0.20 -0.04 2.88 3.26 1lf6A1 ASN 207 HB3 0.12 0.15 -0.03 -0.04 2.79 2.99 1lf6A1 ASN 207 HD21 0.09 0.41 0.16 -0.04 7.03 7.64 1lf6A1 ASN 207 HD22 0.08 0.03 -0.01 -0.04 7.74 7.80 1lf6A1 ASP 208 H 0.03 0.09 -0.04 -0.55 8.40 7.94 1lf6A1 ASP 208 HA 0.02 0.12 0.43 -0.75 4.63 4.44 1lf6A1 ASP 208 HB2 0.05 -0.01 -0.03 -0.04 2.71 2.68 1lf6A1 ASP 208 HB3 0.08 0.14 -0.43 -0.04 2.70 2.44 1lf6A1 ILE 209 H -0.02 0.24 0.06 -0.55 8.25 7.98 1lf6A1 ILE 209 HA -0.10 0.11 0.24 -0.75 4.18 3.68 1lf6A1 ILE 209 HB -0.04 0.06 0.09 -0.04 1.89 1.96 1lf6A1 ILE 209 HG12 -0.09 0.05 -0.10 -0.04 1.49 1.31 1lf6A1 ILE 209 HG13 -0.01 0.01 -0.12 -0.04 1.21 1.04 1lf6A1 ILE 209 HG23 -0.02 -0.00 -0.23 -0.04 0.93 0.64 1lf6A1 ILE 209 HD13 -0.28 -0.01 -0.21 -0.04 0.88 0.34 1lf6A1 MET 210 H -0.00 0.06 -0.30 -0.55 8.47 7.68 1lf6A1 MET 210 HA -0.03 0.12 0.24 -0.75 4.52 4.09 1lf6A1 MET 210 HB2 0.04 0.01 -0.04 -0.04 2.15 2.11 1lf6A1 MET 210 HB3 0.04 -0.07 -0.06 -0.04 2.03 1.90 1lf6A1 MET 210 HG2 0.06 0.04 -0.11 -0.04 2.63 2.57 1lf6A1 MET 210 HG3 0.02 0.05 -0.26 -0.04 2.56 2.33 1lf6A1 MET 210 HE3 0.02 0.02 -0.08 -0.04 2.10 2.01 1lf6A1 THR 211 H -0.01 0.02 -0.35 -0.55 8.28 7.39 1lf6A1 THR 211 HA -0.03 0.12 0.35 -0.75 4.39 4.08 1lf6A1 THR 211 HB -0.02 0.01 -0.18 -0.04 4.32 4.10 1lf6A1 THR 211 HG23 -0.03 0.08 -0.18 -0.04 1.22 1.05 1lf6A1 ASP 212 H -0.06 0.50 -0.30 -0.55 8.40 7.99 1lf6A1 ASP 212 HA -0.07 0.08 0.32 -0.75 4.63 4.21 1lf6A1 ASP 212 HB2 -0.09 0.08 -0.09 -0.04 2.71 2.57 1lf6A1 ASP 212 HB3 -0.15 0.09 -0.03 -0.04 2.70 2.58 1lf6A1 LEU 213 H -0.12 0.42 -0.39 -0.55 8.37 7.73 1lf6A1 LEU 213 HA -0.15 -0.13 0.45 -0.75 4.35 3.76 1lf6A1 LEU 213 HB2 -0.11 0.14 -0.03 -0.04 1.64 1.59 1lf6A1 LEU 213 HB3 -0.14 0.01 -0.14 -0.04 1.64 1.34 1lf6A1 LEU 213 HG -0.33 0.23 -0.14 -0.04 1.64 1.36 1lf6A1 LEU 213 HD13 -0.32 -0.01 -0.27 -0.04 0.93 0.29 1lf6A1 LEU 213 HD23 -0.71 -0.01 -0.41 -0.04 0.89 -0.29 1lf6A1 ASP 214 H -0.05 0.34 -0.22 -0.55 8.40 7.92 1lf6A1 ASP 214 HA -0.01 0.06 0.38 -0.75 4.63 4.30 1lf6A1 ASP 214 HB2 -0.02 0.08 0.11 -0.04 2.71 2.84 1lf6A1 ASP 214 HB3 -0.01 -0.01 0.02 -0.04 2.70 2.67 1lf6A1 GLU 215 H -0.05 0.13 -0.55 -0.55 8.60 7.59 1lf6A1 GLU 215 HA -0.02 0.17 0.79 -0.75 4.29 4.47 1lf6A1 GLU 215 HB2 -0.02 -0.03 -0.02 -0.04 2.09 1.97 1lf6A1 GLU 215 HB3 -0.04 0.03 0.07 -0.04 1.99 2.00 1lf6A1 GLU 215 HG2 -0.03 0.04 -0.25 -0.04 2.34 2.06 1lf6A1 GLU 215 HG3 -0.02 -0.02 0.01 -0.04 2.34 2.28 1lf6A1 ASN 216 H -0.06 0.34 0.12 -0.55 8.53 8.38 1lf6A1 ASN 216 HA -0.04 0.22 0.88 -0.75 4.76 5.06 1lf6A1 ASN 216 HB2 -0.08 0.14 0.09 -0.04 2.88 2.99 1lf6A1 ASN 216 HB3 -0.05 -0.02 0.00 -0.04 2.79 2.68 1lf6A1 ASN 216 HD21 -0.03 -0.06 -0.11 -0.04 7.03 6.79 1lf6A1 ASN 216 HD22 -0.04 0.08 -0.08 -0.04 7.74 7.67 1lf6A1 LYS 217 H -0.08 0.10 0.15 -0.55 8.42 8.04 1lf6A1 LYS 217 HA -0.09 -0.02 0.28 -0.75 4.32 3.73 1lf6A1 LYS 217 HB2 -0.06 0.27 -0.21 -0.04 1.87 1.83 1lf6A1 LYS 217 HB3 -0.09 -0.27 -0.06 -0.04 1.79 1.33 1lf6A1 LYS 217 HG2 -0.04 0.06 -0.20 -0.04 1.46 1.23 1lf6A1 LYS 217 HG3 -0.04 -0.06 -0.71 -0.04 1.46 0.60 1lf6A1 LYS 217 HD2 -0.05 0.15 -0.53 -0.04 1.69 1.22 1lf6A1 LYS 217 HD3 -0.07 -0.18 -0.49 -0.04 1.68 0.91 1lf6A1 LYS 217 HE2 -0.02 0.01 -0.18 -0.04 2.99 2.76 1lf6A1 LYS 217 HE3 -0.01 -0.12 0.04 -0.04 2.99 2.87 1lf6A1 GLN 218 H -0.13 0.19 -0.33 -0.55 8.47 7.65 1lf6A1 GLN 218 HA -0.04 -0.04 0.25 -0.75 4.36 3.77 1lf6A1 GLN 218 HB2 0.03 -0.04 -0.05 -0.04 2.15 2.05 1lf6A1 GLN 218 HB3 0.01 0.21 -0.04 -0.04 2.02 2.15 1lf6A1 GLN 218 HG2 -0.04 0.30 -0.45 -0.04 2.40 2.17 1lf6A1 GLN 218 HG3 -0.04 -0.08 -0.41 -0.04 2.39 1.82 1lf6A1 GLN 218 HE21 -0.02 -0.04 -0.04 -0.04 6.97 6.82 1lf6A1 GLN 218 HE22 -0.03 -0.03 -0.08 -0.04 7.69 7.52 1lf6A1 MET 219 H 0.01 0.12 -0.04 -0.55 8.47 8.02 1lf6A1 MET 219 HA -0.21 -0.07 0.35 -0.75 4.52 3.84 1lf6A1 MET 219 HB2 0.08 0.01 0.02 -0.04 2.15 2.22 1lf6A1 MET 219 HB3 -0.30 0.15 -0.18 -0.04 2.03 1.67 1lf6A1 MET 219 HG2 -0.16 -0.03 -0.13 -0.04 2.63 2.27 1lf6A1 MET 219 HG3 -0.09 -0.05 -0.14 -0.04 2.56 2.24 1lf6A1 MET 219 HE3 -0.03 0.05 -0.37 -0.04 2.10 1.71 1lf6A1 THR 220 H -0.21 -0.05 0.19 -0.55 8.28 7.66 1lf6A1 THR 220 HA -0.11 0.22 0.76 -0.75 4.39 4.51 1lf6A1 THR 220 HB -0.13 -0.09 0.07 -0.04 4.32 4.14 1lf6A1 THR 220 HG23 -0.07 -0.00 -0.06 -0.04 1.22 1.05 1lf6A1 LYS 221 H -0.31 -0.06 0.12 -0.55 8.42 7.62 1lf6A1 LYS 221 HA -0.41 0.22 0.80 -0.75 4.32 4.17 1lf6A1 LYS 221 HB2 -0.36 -0.01 0.06 -0.04 1.87 1.52 1lf6A1 LYS 221 HB3 -1.24 -0.08 0.03 -0.04 1.79 0.47 1lf6A1 LYS 221 HG2 -0.08 0.01 0.01 -0.04 1.46 1.36 1lf6A1 LYS 221 HG3 -0.26 0.08 -0.05 -0.04 1.46 1.19 1lf6A1 LYS 221 HD2 -0.16 -0.13 -0.15 -0.04 1.69 1.21 1lf6A1 LYS 221 HD3 -0.11 -0.02 0.01 -0.04 1.68 1.52 1lf6A1 LYS 221 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 1lf6A1 LYS 221 HE3 -0.03 0.05 -0.06 -0.04 2.99 2.91 1lf6A1 HIS 222 H -0.42 0.15 0.02 -0.55 8.41 7.62 1lf6A1 HIS 222 HA -0.15 0.32 0.90 -0.75 4.63 4.95 1lf6A1 HIS 222 HB2 -0.15 -0.04 0.07 -0.04 3.26 3.11 1lf6A1 HIS 222 HB3 -0.22 0.00 0.21 -0.04 3.20 3.15 1lf6A1 HIS 222 HD2 -0.12 0.04 -0.22 -0.04 6.97 6.62 1lf6A1 HIS 222 HE1 -0.08 -0.09 -0.13 -0.04 7.75 7.40 1lf6A1 TYR 223 H -0.29 0.04 -0.04 -0.55 8.29 7.45 1lf6A1 TYR 223 HA 0.07 0.15 0.43 -0.75 4.56 4.47 1lf6A1 TYR 223 HB2 -0.03 -0.03 0.05 -0.04 3.06 3.00 1lf6A1 TYR 223 HB3 -0.02 0.06 0.12 -0.04 2.98 3.10 1lf6A1 TYR 223 HD2 -0.02 0.04 -0.23 -0.04 7.15 6.89 1lf6A1 TYR 223 HE2 -0.00 0.07 0.01 -0.04 6.85 6.89 1lf6A1 ASP 224 H 0.21 0.66 0.41 -0.55 8.40 9.14 1lf6A1 ASP 224 HA 0.10 0.15 0.90 -0.75 4.63 5.03 1lf6A1 ASP 224 HB2 -0.02 -0.01 0.31 -0.04 2.71 2.94 1lf6A1 ASP 224 HB3 0.42 0.10 0.03 -0.04 2.70 3.20 1lf6A1 SER 225 H 0.06 0.18 0.16 -0.55 8.46 8.32 1lf6A1 SER 225 HA 0.01 0.39 0.80 -0.75 4.49 4.94 1lf6A1 SER 225 HB2 0.01 0.10 -0.06 -0.04 3.95 3.96 1lf6A1 SER 225 HB3 0.02 -0.12 0.01 -0.04 3.93 3.79 1lf6A1 ALA 226 H -0.04 0.65 0.38 -0.55 8.40 8.85 1lf6A1 ALA 226 HA -0.08 0.03 0.45 -0.75 4.34 3.99 1lf6A1 ALA 226 HB3 -0.55 0.04 -0.13 -0.04 1.41 0.73 1lf6A1 ARG 227 H 0.26 0.19 0.07 -0.55 8.46 8.43 1lf6A1 ARG 227 HA -0.08 0.43 0.77 -0.75 4.34 4.71 1lf6A1 ARG 227 HB2 -0.13 0.02 -0.15 -0.04 1.90 1.60 1lf6A1 ARG 227 HB3 -0.09 -0.04 0.04 -0.04 1.80 1.67 1lf6A1 ARG 227 HG2 -0.73 -0.05 -0.28 -0.04 1.67 0.58 1lf6A1 ARG 227 HG3 -0.50 0.05 -0.38 -0.04 1.67 0.80 1lf6A1 ARG 227 HD2 -1.15 0.05 -0.08 -0.04 3.22 2.00 1lf6A1 ARG 227 HD3 -0.32 -0.01 -0.06 -0.04 3.22 2.79 1lf6A1 GLY 228 H -0.04 0.66 0.20 -0.55 8.43 8.71 1lf6A1 GLY 228 HA2 0.06 -0.22 0.46 -0.51 4.01 3.80 1lf6A1 GLY 228 HA3 0.11 0.24 0.87 -0.51 4.01 4.72 1lf6A1 ASN 229 H 0.09 0.60 0.24 -0.55 8.53 8.92 1lf6A1 ASN 229 HA -0.05 0.45 0.80 -0.75 4.76 5.21 1lf6A1 ASN 229 HB2 0.10 0.06 0.10 -0.04 2.88 3.09 1lf6A1 ASN 229 HB3 0.08 -0.05 0.10 -0.04 2.79 2.88 1lf6A1 ASN 229 HD21 -0.21 -0.24 -0.17 -0.04 7.03 6.36 1lf6A1 ASN 229 HD22 -0.17 0.04 -0.09 -0.04 7.74 7.48 1lf6A1 ILE 230 H -0.04 0.40 0.18 -0.55 8.25 8.24 1lf6A1 ILE 230 HA -0.01 0.12 1.03 -0.75 4.18 4.57 1lf6A1 ILE 230 HB -0.15 -0.06 -0.07 -0.04 1.89 1.57 1lf6A1 ILE 230 HG12 -0.08 0.15 0.07 -0.04 1.49 1.59 1lf6A1 ILE 230 HG13 -0.13 -0.03 -0.25 -0.04 1.21 0.76 1lf6A1 ILE 230 HG23 -0.13 -0.01 -0.45 -0.04 0.93 0.30 1lf6A1 ILE 230 HD13 -0.10 0.01 -0.22 -0.04 0.88 0.52 1lf6A1 ILE 231 H -0.08 0.50 0.21 -0.55 8.25 8.33 1lf6A1 ILE 231 HA -0.13 0.30 0.83 -0.75 4.18 4.43 1lf6A1 ILE 231 HB 0.00 -0.22 0.05 -0.04 1.89 1.68 1lf6A1 ILE 231 HG12 -0.08 0.18 -0.13 -0.04 1.49 1.41 1lf6A1 ILE 231 HG13 0.04 -0.01 -0.63 -0.04 1.21 0.56 1lf6A1 ILE 231 HG23 -0.03 -0.01 -0.26 -0.04 0.93 0.59 1lf6A1 ILE 231 HD13 0.21 -0.04 -0.12 -0.04 0.88 0.88 1lf6A1 GLU 232 H -0.13 0.83 0.31 -0.55 8.60 9.05 1lf6A1 GLU 232 HA -0.07 0.12 0.95 -0.75 4.29 4.53 1lf6A1 GLU 232 HB2 0.15 -0.00 0.23 -0.04 2.09 2.42 1lf6A1 GLU 232 HB3 -0.06 0.01 0.06 -0.04 1.99 1.96 1lf6A1 GLU 232 HG2 -0.09 -0.05 -0.09 -0.04 2.34 2.07 1lf6A1 GLU 232 HG3 -0.11 0.03 -0.05 -0.04 2.34 2.16 1lf6A1 GLY 233 H -0.06 0.63 0.44 -0.55 8.43 8.90 1lf6A1 GLY 233 HA2 -0.06 0.38 1.09 -0.51 4.01 4.92 1lf6A1 GLY 233 HA3 -0.04 -0.14 0.38 -0.51 4.01 3.70 1lf6A1 ALA 234 H -0.01 0.46 0.38 -0.55 8.40 8.69 1lf6A1 ALA 234 HA -0.02 0.17 0.76 -0.75 4.34 4.49 1lf6A1 ALA 234 HB3 -0.56 0.01 0.01 -0.04 1.41 0.83 1lf6A1 GLU 235 H 0.14 0.52 0.28 -0.55 8.60 9.00 1lf6A1 GLU 235 HA -0.05 0.20 1.05 -0.75 4.29 4.74 1lf6A1 GLU 235 HB2 0.20 -0.04 -0.02 -0.04 2.09 2.19 1lf6A1 GLU 235 HB3 0.08 -0.03 0.01 -0.04 1.99 2.00 1lf6A1 GLU 235 HG2 -0.15 -0.06 -0.32 -0.04 2.34 1.77 1lf6A1 GLU 235 HG3 -0.54 0.11 0.08 -0.04 2.34 1.96 1lf6A1 ILE 236 H -0.20 0.80 0.38 -0.55 8.25 8.69 1lf6A1 ILE 236 HA -0.11 0.13 0.82 -0.75 4.18 4.26 1lf6A1 ILE 236 HB -0.32 -0.03 0.09 -0.04 1.89 1.58 1lf6A1 ILE 236 HG12 0.08 -0.00 -0.17 -0.04 1.49 1.36 1lf6A1 ILE 236 HG13 -0.08 -0.01 -0.16 -0.04 1.21 0.92 1lf6A1 ILE 236 HG23 -1.03 0.02 -0.22 -0.04 0.93 -0.34 1lf6A1 ILE 236 HD13 0.10 0.02 -0.20 -0.04 0.88 0.75 1lf6A1 ASP 237 H -0.16 0.24 0.08 -0.55 8.40 8.01 1lf6A1 ASP 237 HA -0.13 0.07 0.54 -0.75 4.63 4.35 1lf6A1 ASP 237 HB2 -0.08 0.04 0.07 -0.04 2.71 2.70 1lf6A1 ASP 237 HB3 -0.11 0.07 0.17 -0.04 2.70 2.79 1lf6A1 LEU 238 H -0.19 0.33 0.27 -0.55 8.37 8.22 1lf6A1 LEU 238 HA -0.13 0.22 0.26 -0.75 4.35 3.94 1lf6A1 LEU 238 HB2 -0.20 0.04 0.12 -0.04 1.64 1.56 1lf6A1 LEU 238 HB3 -0.15 -0.02 -0.07 -0.04 1.64 1.36 1lf6A1 LEU 238 HG -0.31 0.08 0.09 -0.04 1.64 1.46 1lf6A1 LEU 238 HD13 -0.45 0.05 -0.09 -0.04 0.93 0.39 1lf6A1 LEU 238 HD23 -0.17 -0.00 -0.02 -0.04 0.89 0.65 1lf6A1 THR 239 H -0.14 0.11 -0.11 -0.55 8.28 7.60 1lf6A1 THR 239 HA -0.16 0.05 0.30 -0.75 4.39 3.83 1lf6A1 THR 239 HB 0.01 0.03 0.08 -0.04 4.32 4.40 1lf6A1 THR 239 HG23 -0.12 -0.01 0.05 -0.04 1.22 1.11 1lf6A1 LYS 240 H -0.08 0.18 -0.77 -0.55 8.42 7.19 1lf6A1 LYS 240 HA -0.03 0.10 0.66 -0.75 4.32 4.30 1lf6A1 LYS 240 HB2 -0.06 -0.10 0.03 -0.04 1.87 1.70 1lf6A1 LYS 240 HB3 -0.08 0.20 0.09 -0.04 1.79 1.96 1lf6A1 LYS 240 HG2 -0.06 0.00 -0.07 -0.04 1.46 1.30 1lf6A1 LYS 240 HG3 -0.04 -0.02 0.12 -0.04 1.46 1.48 1lf6A1 LYS 240 HD2 -0.05 -0.01 0.04 -0.04 1.69 1.63 1lf6A1 LYS 240 HD3 -0.04 -0.05 0.02 -0.04 1.68 1.57 1lf6A1 LYS 240 HE2 -0.08 -0.10 0.02 -0.04 2.99 2.78 1lf6A1 LYS 240 HE3 -0.09 0.12 0.08 -0.04 2.99 3.05 1lf6A1 ASN 241 H -0.05 0.29 -0.10 -0.55 8.53 8.12 1lf6A1 ASN 241 HA 0.01 -0.02 0.40 -0.75 4.76 4.39 1lf6A1 ASN 241 HB2 -0.01 0.20 -0.13 -0.04 2.88 2.90 1lf6A1 ASN 241 HB3 0.04 -0.02 -0.01 -0.04 2.79 2.76 1lf6A1 ASN 241 HD21 -0.00 -0.08 0.09 -0.04 7.03 7.00 1lf6A1 ASN 241 HD22 -0.00 0.02 0.10 -0.04 7.74 7.81 1lf6A1 SER 242 H 0.04 0.15 0.18 -0.55 8.46 8.29 1lf6A1 SER 242 HA 0.11 0.08 0.62 -0.75 4.49 4.54 1lf6A1 SER 242 HB2 0.14 0.15 0.28 -0.04 3.95 4.48 1lf6A1 SER 242 HB3 0.08 0.00 0.16 -0.04 3.93 4.12 1lf6A1 GLU 243 H 0.09 0.11 -0.18 -0.55 8.60 8.06 1lf6A1 GLU 243 HA -0.09 0.31 1.20 -0.75 4.29 4.96 1lf6A1 GLU 243 HB2 -0.03 -0.04 -0.02 -0.04 2.09 1.96 1lf6A1 GLU 243 HB3 -0.02 -0.03 0.10 -0.04 1.99 2.00 1lf6A1 GLU 243 HG2 -0.14 -0.03 -0.17 -0.04 2.34 1.96 1lf6A1 GLU 243 HG3 -0.17 0.13 -0.06 -0.04 2.34 2.19 1lf6A1 PHE 244 H -0.62 0.78 0.41 -0.55 8.34 8.36 1lf6A1 PHE 244 HA -0.09 0.14 0.76 -0.75 4.62 4.67 1lf6A1 PHE 244 HB2 -0.10 -0.14 0.08 -0.04 3.15 2.94 1lf6A1 PHE 244 HB3 -0.08 0.15 -0.18 -0.04 3.06 2.90 1lf6A1 PHE 244 HD2 -0.02 -0.01 -0.45 -0.04 7.28 6.77 1lf6A1 PHE 244 HE2 0.17 0.01 -0.17 -0.04 7.38 7.34 1lf6A1 PHE 244 HZ -0.32 -0.04 -0.18 -0.04 7.32 6.74 1lf6A1 GLU 245 H 0.07 0.11 0.23 -0.55 8.60 8.46 1lf6A1 GLU 245 HA -0.09 0.25 1.14 -0.75 4.29 4.84 1lf6A1 GLU 245 HB2 -0.03 -0.06 0.16 -0.04 2.09 2.12 1lf6A1 GLU 245 HB3 -0.02 0.06 -0.05 -0.04 1.99 1.94 1lf6A1 GLU 245 HG2 -0.28 0.03 -0.11 -0.04 2.34 1.93 1lf6A1 GLU 245 HG3 -0.13 -0.06 -0.17 -0.04 2.34 1.94 1lf6A1 ILE 246 H 0.02 0.79 0.35 -0.55 8.25 8.86 1lf6A1 ILE 246 HA 0.06 0.24 1.06 -0.75 4.18 4.78 1lf6A1 ILE 246 HB 0.09 0.03 0.18 -0.04 1.89 2.15 1lf6A1 ILE 246 HG12 0.44 -0.03 -0.15 -0.04 1.49 1.71 1lf6A1 ILE 246 HG13 0.42 -0.03 -0.09 -0.04 1.21 1.47 1lf6A1 ILE 246 HG23 0.13 0.01 -0.13 -0.04 0.93 0.89 1lf6A1 ILE 246 HD13 0.32 0.01 -0.08 -0.04 0.88 1.09 1lf6A1 VAL 247 H 0.01 0.60 0.30 -0.55 8.24 8.59 1lf6A1 VAL 247 HA -0.06 0.35 1.17 -0.75 4.13 4.83 1lf6A1 VAL 247 HB -0.03 -0.05 0.01 -0.04 2.12 2.00 1lf6A1 VAL 247 HG13 -0.04 0.00 -0.23 -0.04 0.97 0.66 1lf6A1 VAL 247 HG23 -0.03 -0.00 -0.33 -0.04 0.95 0.55 1lf6A1 LEU 248 H -0.08 0.69 0.31 -0.55 8.37 8.75 1lf6A1 LEU 248 HA -0.22 0.33 1.11 -0.75 4.35 4.82 1lf6A1 LEU 248 HB2 -0.22 -0.02 -0.05 -0.04 1.64 1.31 1lf6A1 LEU 248 HB3 -0.08 -0.04 0.16 -0.04 1.64 1.64 1lf6A1 LEU 248 HG -0.61 0.03 -0.29 -0.04 1.64 0.73 1lf6A1 LEU 248 HD13 -0.60 0.02 -0.14 -0.04 0.93 0.17 1lf6A1 LEU 248 HD23 -0.00 -0.01 -0.13 -0.04 0.89 0.70 1lf6A1 SER 249 H -0.25 0.60 0.35 -0.55 8.46 8.61 1lf6A1 SER 249 HA -0.04 0.28 1.19 -0.75 4.49 5.17 1lf6A1 SER 249 HB2 -0.11 0.03 0.08 -0.04 3.95 3.91 1lf6A1 SER 249 HB3 -0.05 0.05 0.08 -0.04 3.93 3.97 1lf6A1 PHE 250 H 0.04 0.54 0.38 -0.55 8.34 8.74 1lf6A1 PHE 250 HA -0.20 0.35 1.14 -0.75 4.62 5.17 1lf6A1 PHE 250 HB2 -1.03 -0.02 0.08 -0.04 3.15 2.14 1lf6A1 PHE 250 HB3 -1.63 -0.00 0.09 -0.04 3.06 1.48 1lf6A1 PHE 250 HD2 -0.11 0.08 -0.14 -0.04 7.28 7.07 1lf6A1 PHE 250 HE2 0.08 -0.03 -0.20 -0.04 7.38 7.19 1lf6A1 PHE 250 HZ 0.11 -0.04 -0.22 -0.04 7.32 7.13 1lf6A1 GLY 251 H 0.09 0.60 0.42 -0.55 8.43 8.99 1lf6A1 GLY 251 HA2 0.17 0.13 0.52 -0.51 4.01 4.32 1lf6A1 GLY 251 HA3 0.07 -0.10 0.32 -0.51 4.01 3.79 1lf6A1 GLN 252 H 0.15 0.13 0.19 -0.55 8.47 8.39 1lf6A1 GLN 252 HA 0.33 0.58 0.92 -0.75 4.36 5.45 1lf6A1 GLN 252 HB2 0.18 0.00 0.15 -0.04 2.15 2.45 1lf6A1 GLN 252 HB3 0.11 -0.07 0.13 -0.04 2.02 2.15 1lf6A1 GLN 252 HG2 0.15 -0.05 0.28 -0.04 2.40 2.73 1lf6A1 GLN 252 HG3 0.17 0.14 0.26 -0.04 2.39 2.91 1lf6A1 GLN 252 HE21 0.06 0.00 0.05 -0.04 6.97 7.04 1lf6A1 GLN 252 HE22 0.08 0.01 0.09 -0.04 7.69 7.83 1lf6A1 SER 253 H -0.06 0.10 -0.24 -0.55 8.46 7.72 1lf6A1 SER 253 HA -1.07 0.23 0.43 -0.75 4.49 3.32 1lf6A1 SER 253 HB2 -0.22 -0.02 0.12 -0.04 3.95 3.79 1lf6A1 SER 253 HB3 -0.11 0.26 -0.18 -0.04 3.93 3.86 1lf6A1 ASP 254 H -0.54 0.25 0.08 -0.55 8.40 7.63 1lf6A1 ASP 254 HA -0.13 0.14 0.33 -0.75 4.63 4.21 1lf6A1 ASP 254 HB2 -0.10 0.01 0.11 -0.04 2.71 2.68 1lf6A1 ASP 254 HB3 -0.01 0.04 -0.13 -0.04 2.70 2.55 1lf6A1 SER 255 H -0.11 0.12 -0.12 -0.55 8.46 7.81 1lf6A1 SER 255 HA -0.03 0.09 0.32 -0.75 4.49 4.12 1lf6A1 SER 255 HB2 -0.03 0.04 0.05 -0.04 3.95 3.97 1lf6A1 SER 255 HB3 -0.04 -0.01 0.00 -0.04 3.93 3.84 1lf6A1 GLU 256 H -0.07 0.03 -0.36 -0.55 8.60 7.65 1lf6A1 GLU 256 HA -0.00 0.12 0.35 -0.75 4.29 3.99 1lf6A1 GLU 256 HB2 -0.01 -0.01 0.07 -0.04 2.09 2.10 1lf6A1 GLU 256 HB3 0.01 -0.09 0.12 -0.04 1.99 1.98 1lf6A1 GLU 256 HG2 0.04 0.08 0.01 -0.04 2.34 2.43 1lf6A1 GLU 256 HG3 0.03 0.05 0.04 -0.04 2.34 2.42 1lf6A1 ALA 257 H -0.04 0.43 -0.21 -0.55 8.40 8.03 1lf6A1 ALA 257 HA -0.03 0.15 -0.00 -0.75 4.34 3.71 1lf6A1 ALA 257 HB3 -0.03 0.02 -0.25 -0.04 1.41 1.12 1lf6A1 ALA 258 H -0.03 0.54 -0.25 -0.55 8.40 8.11 1lf6A1 ALA 258 HA -0.03 0.02 0.29 -0.75 4.34 3.87 1lf6A1 ALA 258 HB3 -0.01 0.00 -0.02 -0.04 1.41 1.34 1lf6A1 LYS 259 H -0.01 0.66 -0.16 -0.55 8.42 8.35 1lf6A1 LYS 259 HA -0.00 0.00 0.34 -0.75 4.32 3.90 1lf6A1 LYS 259 HB2 -0.00 0.00 0.07 -0.04 1.87 1.90 1lf6A1 LYS 259 HB3 0.00 0.08 0.12 -0.04 1.79 1.95 1lf6A1 LYS 259 HG2 0.01 -0.02 -0.24 -0.04 1.46 1.17 1lf6A1 LYS 259 HG3 0.00 -0.01 -0.03 -0.04 1.46 1.39 1lf6A1 LYS 259 HD2 0.00 -0.03 -0.08 -0.04 1.69 1.54 1lf6A1 LYS 259 HD3 0.01 -0.02 -0.07 -0.04 1.68 1.56 1lf6A1 LYS 259 HE2 0.01 -0.00 -0.06 -0.04 2.99 2.90 1lf6A1 LYS 259 HE3 0.01 -0.00 -0.07 -0.04 2.99 2.88 1lf6A1 THR 260 H -0.00 0.62 -0.26 -0.55 8.28 8.09 1lf6A1 THR 260 HA 0.01 -0.00 0.38 -0.75 4.39 4.02 1lf6A1 THR 260 HB -0.01 0.14 0.10 -0.04 4.32 4.51 1lf6A1 THR 260 HG23 0.03 -0.02 -0.15 -0.04 1.22 1.03 1lf6A1 ALA 261 H -0.02 0.53 -0.19 -0.55 8.40 8.16 1lf6A1 ALA 261 HA -0.02 -0.02 0.31 -0.75 4.34 3.85 1lf6A1 ALA 261 HB3 -0.04 0.03 -0.01 -0.04 1.41 1.35 1lf6A1 LEU 262 H -0.01 0.53 -0.24 -0.55 8.37 8.10 1lf6A1 LEU 262 HA -0.01 0.03 0.36 -0.75 4.35 3.97 1lf6A1 LEU 262 HB2 -0.00 0.12 0.09 -0.04 1.64 1.81 1lf6A1 LEU 262 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.54 1lf6A1 LEU 262 HG -0.00 0.12 -0.05 -0.04 1.64 1.67 1lf6A1 LEU 262 HD13 0.00 -0.04 -0.17 -0.04 0.93 0.68 1lf6A1 LEU 262 HD23 -0.00 0.02 -0.06 -0.04 0.89 0.81 1lf6A1 GLU 263 H 0.00 0.48 -0.24 -0.55 8.60 8.29 1lf6A1 GLU 263 HA 0.01 0.05 0.39 -0.75 4.29 3.99 1lf6A1 GLU 263 HB2 0.01 0.08 0.12 -0.04 2.09 2.26 1lf6A1 GLU 263 HB3 0.02 -0.07 -0.06 -0.04 1.99 1.84 1lf6A1 GLU 263 HG2 0.01 -0.03 -0.02 -0.04 2.34 2.25 1lf6A1 GLU 263 HG3 0.01 0.19 0.02 -0.04 2.34 2.52 1lf6A1 THR 264 H 0.01 0.54 -0.19 -0.55 8.28 8.09 1lf6A1 THR 264 HA 0.03 -0.04 0.32 -0.75 4.39 3.94 1lf6A1 THR 264 HB -0.00 0.11 0.04 -0.04 4.32 4.42 1lf6A1 THR 264 HG23 0.00 -0.02 -0.25 -0.04 1.22 0.91 1lf6A1 LEU 265 H -0.00 0.60 -0.18 -0.55 8.37 8.24 1lf6A1 LEU 265 HA 0.01 -0.04 0.33 -0.75 4.35 3.90 1lf6A1 LEU 265 HB2 -0.01 0.10 0.08 -0.04 1.64 1.77 1lf6A1 LEU 265 HB3 -0.02 -0.02 -0.04 -0.04 1.64 1.52 1lf6A1 LEU 265 HG -0.02 0.05 -0.05 -0.04 1.64 1.59 1lf6A1 LEU 265 HD13 -0.04 -0.02 -0.20 -0.04 0.93 0.62 1lf6A1 LEU 265 HD23 -0.04 -0.03 -0.14 -0.04 0.89 0.64 1lf6A1 GLY 266 H 0.01 0.41 -0.40 -0.55 8.43 7.90 1lf6A1 GLY 266 HA2 0.01 -0.00 0.41 -0.51 4.01 3.91 1lf6A1 GLY 266 HA3 0.01 -0.01 0.29 -0.51 4.01 3.79 1lf6A1 GLU 267 H 0.03 0.35 -0.54 -0.55 8.60 7.90 1lf6A1 GLU 267 HA 0.03 0.02 0.55 -0.75 4.29 4.13 1lf6A1 GLU 267 HB2 0.03 0.11 0.07 -0.04 2.09 2.26 1lf6A1 GLU 267 HB3 0.05 0.04 -0.04 -0.04 1.99 1.99 1lf6A1 GLU 267 HG2 0.04 -0.07 -0.05 -0.04 2.34 2.22 1lf6A1 GLU 267 HG3 0.03 -0.16 0.12 -0.04 2.34 2.28 1lf6A1 ASP 268 H 0.03 0.08 0.13 -0.55 8.40 8.10 1lf6A1 ASP 268 HA 0.06 0.17 0.58 -0.75 4.63 4.70 1lf6A1 ASP 268 HB2 0.03 0.14 0.11 -0.04 2.71 2.94 1lf6A1 ASP 268 HB3 0.02 -0.04 0.18 -0.04 2.70 2.82 1lf6A1 TYR 269 H 0.18 0.26 0.17 -0.55 8.29 8.36 1lf6A1 TYR 269 HA 0.09 0.11 0.27 -0.75 4.56 4.28 1lf6A1 TYR 269 HB2 0.03 0.13 0.12 -0.04 3.06 3.29 1lf6A1 TYR 269 HB3 0.02 -0.07 0.14 -0.04 2.98 3.03 1lf6A1 TYR 269 HD2 0.04 0.01 -0.10 -0.04 7.15 7.06 1lf6A1 TYR 269 HE2 0.05 0.02 -0.11 -0.04 6.85 6.77 1lf6A1 ASN 270 H 0.13 0.16 -0.06 -0.55 8.53 8.22 1lf6A1 ASN 270 HA -0.21 0.06 0.35 -0.75 4.76 4.22 1lf6A1 ASN 270 HB2 0.01 -0.00 0.02 -0.04 2.88 2.87 1lf6A1 ASN 270 HB3 -0.04 0.05 -0.01 -0.04 2.79 2.75 1lf6A1 ASN 270 HD21 0.07 0.05 -0.00 -0.04 7.03 7.11 1lf6A1 ASN 270 HD22 0.05 0.01 0.01 -0.04 7.74 7.76 1lf6A1 ASN 271 H -0.02 0.14 -0.48 -0.55 8.53 7.62 1lf6A1 ASN 271 HA -0.05 0.06 0.43 -0.75 4.76 4.44 1lf6A1 ASN 271 HB2 -0.00 -0.03 0.12 -0.04 2.88 2.92 1lf6A1 ASN 271 HB3 -0.00 0.04 -0.01 -0.04 2.79 2.77 1lf6A1 ASN 271 HD21 -0.00 0.04 0.00 -0.04 7.03 7.03 1lf6A1 ASN 271 HD22 0.00 -0.03 0.03 -0.04 7.74 7.70 1lf6A1 LEU 272 H -0.04 0.58 -0.03 -0.55 8.37 8.33 1lf6A1 LEU 272 HA 0.04 -0.02 0.41 -0.75 4.35 4.02 1lf6A1 LEU 272 HB2 0.07 0.15 0.09 -0.04 1.64 1.90 1lf6A1 LEU 272 HB3 0.29 -0.04 -0.08 -0.04 1.64 1.77 1lf6A1 LEU 272 HG 0.06 0.05 -0.12 -0.04 1.64 1.58 1lf6A1 LEU 272 HD13 0.09 0.03 -0.12 -0.04 0.93 0.89 1lf6A1 LEU 272 HD23 0.08 -0.03 -0.00 -0.04 0.89 0.89 1lf6A1 LYS 273 H -0.35 0.62 -0.12 -0.55 8.42 8.01 1lf6A1 LYS 273 HA -1.28 0.03 0.38 -0.75 4.32 2.69 1lf6A1 LYS 273 HB2 -0.97 0.03 0.00 -0.04 1.87 0.89 1lf6A1 LYS 273 HB3 -0.52 0.05 0.09 -0.04 1.79 1.37 1lf6A1 LYS 273 HG2 -0.58 -0.01 -0.22 -0.04 1.46 0.61 1lf6A1 LYS 273 HG3 -1.02 -0.03 -0.05 -0.04 1.46 0.32 1lf6A1 LYS 273 HD2 -0.40 -0.01 -0.10 -0.04 1.69 1.14 1lf6A1 LYS 273 HD3 -0.39 -0.00 -0.08 -0.04 1.68 1.17 1lf6A1 LYS 273 HE2 -0.82 0.00 -0.09 -0.04 2.99 2.04 1lf6A1 LYS 273 HE3 -2.12 -0.02 -0.10 -0.04 2.99 0.72 1lf6A1 ASN 274 H -0.20 0.69 -0.08 -0.55 8.53 8.40 1lf6A1 ASN 274 HA -0.10 -0.00 0.43 -0.75 4.76 4.33 1lf6A1 ASN 274 HB2 -0.07 0.09 0.17 -0.04 2.88 3.02 1lf6A1 ASN 274 HB3 -0.05 -0.05 0.03 -0.04 2.79 2.68 1lf6A1 ASN 274 HD21 -0.07 -0.09 -0.04 -0.04 7.03 6.80 1lf6A1 ASN 274 HD22 -0.06 -0.05 -0.10 -0.04 7.74 7.49 1lf6A1 ASN 275 H -0.05 0.60 -0.21 -0.55 8.53 8.32 1lf6A1 ASN 275 HA -0.02 0.02 0.44 -0.75 4.76 4.45 1lf6A1 ASN 275 HB2 0.02 0.10 0.18 -0.04 2.88 3.14 1lf6A1 ASN 275 HB3 0.00 -0.07 0.03 -0.04 2.79 2.72 1lf6A1 ASN 275 HD21 -0.00 -0.04 -0.04 -0.04 7.03 6.90 1lf6A1 ASN 275 HD22 0.01 -0.07 -0.04 -0.04 7.74 7.59 1lf6A1 TYR 276 H 0.07 0.50 -0.19 -0.55 8.29 8.12 1lf6A1 TYR 276 HA 0.03 -0.03 0.50 -0.75 4.56 4.31 1lf6A1 TYR 276 HB2 0.07 0.13 0.21 -0.04 3.06 3.42 1lf6A1 TYR 276 HB3 -0.15 0.14 0.23 -0.04 2.98 3.16 1lf6A1 TYR 276 HD2 0.23 0.06 -0.07 -0.04 7.15 7.32 1lf6A1 TYR 276 HE2 0.27 -0.05 -0.45 -0.04 6.85 6.59 1lf6A1 ILE 277 H 0.12 0.58 -0.04 -0.55 8.25 8.36 1lf6A1 ILE 277 HA 0.21 -0.05 0.42 -0.75 4.18 4.00 1lf6A1 ILE 277 HB 0.03 0.11 0.16 -0.04 1.89 2.14 1lf6A1 ILE 277 HG12 0.36 -0.12 -0.00 -0.04 1.49 1.68 1lf6A1 ILE 277 HG13 0.21 0.17 0.09 -0.04 1.21 1.63 1lf6A1 ILE 277 HG23 0.07 -0.02 -0.16 -0.04 0.93 0.78 1lf6A1 ILE 277 HD13 -0.08 -0.01 -0.11 -0.04 0.88 0.65 1lf6A1 ASP 278 H 0.01 0.74 -0.03 -0.55 8.40 8.57 1lf6A1 ASP 278 HA 0.01 -0.00 0.41 -0.75 4.63 4.29 1lf6A1 ASP 278 HB2 -0.02 0.06 0.15 -0.04 2.71 2.86 1lf6A1 ASP 278 HB3 -0.02 -0.03 0.02 -0.04 2.70 2.63 1lf6A1 GLU 279 H -0.08 0.49 -0.20 -0.55 8.60 8.28 1lf6A1 GLU 279 HA -0.12 0.03 0.47 -0.75 4.29 3.91 1lf6A1 GLU 279 HB2 -0.20 0.23 0.26 -0.04 2.09 2.34 1lf6A1 GLU 279 HB3 -0.50 -0.07 0.10 -0.04 1.99 1.49 1lf6A1 GLU 279 HG2 -0.28 0.08 0.10 -0.04 2.34 2.21 1lf6A1 GLU 279 HG3 -0.15 -0.04 0.08 -0.04 2.34 2.19 1lf6A1 TRP 280 H -0.02 0.38 -0.07 -0.55 7.97 7.70 1lf6A1 TRP 280 HA -0.04 0.03 0.59 -0.75 4.62 4.44 1lf6A1 TRP 280 HB2 -0.16 0.08 0.33 -0.04 3.23 3.44 1lf6A1 TRP 280 HB3 -0.07 0.12 0.12 -0.04 3.23 3.35 1lf6A1 TRP 280 HD1 -0.94 0.05 0.04 -0.04 7.22 6.33 1lf6A1 TRP 280 HE1 -0.36 0.29 0.17 -0.04 10.20 10.26 1lf6A1 TRP 280 HE3 0.06 -0.01 0.10 -0.04 7.59 7.70 1lf6A1 TRP 280 HZ2 -0.10 0.13 -0.07 -0.04 7.44 7.35 1lf6A1 TRP 280 HZ3 -0.20 -0.00 0.01 -0.04 7.13 6.90 1lf6A1 TRP 280 HH2 -0.11 0.06 -0.15 -0.04 7.19 6.94 1lf6A1 THR 281 H 0.12 0.52 0.02 -0.55 8.28 8.40 1lf6A1 THR 281 HA 0.06 0.06 0.55 -0.75 4.39 4.30 1lf6A1 THR 281 HB 0.02 0.05 0.16 -0.04 4.32 4.51 1lf6A1 THR 281 HG23 -0.02 -0.03 -0.04 -0.04 1.22 1.09 1lf6A1 LYS 282 H 0.03 0.63 -0.11 -0.55 8.42 8.42 1lf6A1 LYS 282 HA 0.01 -0.02 0.36 -0.75 4.32 3.93 1lf6A1 LYS 282 HB2 -0.01 0.00 0.14 -0.04 1.87 1.97 1lf6A1 LYS 282 HB3 -0.01 0.20 0.19 -0.04 1.79 2.13 1lf6A1 LYS 282 HG2 0.02 0.01 -0.23 -0.04 1.46 1.22 1lf6A1 LYS 282 HG3 0.00 -0.05 0.02 -0.04 1.46 1.40 1lf6A1 LYS 282 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.59 1lf6A1 LYS 282 HD3 -0.04 0.04 0.02 -0.04 1.68 1.67 1lf6A1 LYS 282 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.93 1lf6A1 LYS 282 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.92 1lf6A1 TYR 283 H 0.17 0.33 -0.29 -0.55 8.29 7.95 1lf6A1 TYR 283 HA 0.03 0.02 0.46 -0.75 4.56 4.32 1lf6A1 TYR 283 HB2 -0.06 0.01 0.14 -0.04 3.06 3.11 1lf6A1 TYR 283 HB3 0.18 0.14 0.20 -0.04 2.98 3.46 1lf6A1 TYR 283 HD2 0.21 0.01 -0.04 -0.04 7.15 7.30 1lf6A1 TYR 283 HE2 0.16 -0.04 -0.14 -0.04 6.85 6.80 1lf6A1 CYS 284 H 0.17 0.52 -0.03 -0.55 8.50 8.61 1lf6A1 CYS 284 HA -0.04 -0.00 0.41 -0.75 4.58 4.19 1lf6A1 CYS 284 HB2 -0.05 0.10 0.22 -0.04 2.97 3.20 1lf6A1 CYS 284 HB3 -0.23 -0.05 0.03 -0.04 2.97 2.67 1lf6A1 ASN 285 H -0.01 0.57 -0.21 -0.55 8.53 8.33 1lf6A1 ASN 285 HA 0.04 0.05 0.44 -0.75 4.76 4.54 1lf6A1 ASN 285 HB2 -0.00 0.10 0.08 -0.04 2.88 3.01 1lf6A1 ASN 285 HB3 0.00 -0.07 0.13 -0.04 2.79 2.81 1lf6A1 ASN 285 HD21 -0.03 -0.10 -0.04 -0.04 7.03 6.82 1lf6A1 ASN 285 HD22 -0.01 -0.02 -0.09 -0.04 7.74 7.59 1lf6A1 THR 286 H -0.08 0.40 -0.68 -0.55 8.28 7.38 1lf6A1 THR 286 HA -0.01 0.04 0.70 -0.75 4.39 4.36 1lf6A1 THR 286 HB -0.02 0.11 0.14 -0.04 4.32 4.52 1lf6A1 THR 286 HG23 -0.16 0.11 -0.07 -0.04 1.22 1.06 1lf6A1 LEU 287 H -0.02 0.37 -0.18 -0.55 8.37 7.99 1lf6A1 LEU 287 HA -0.01 0.13 0.69 -0.75 4.35 4.41 1lf6A1 LEU 287 HB2 0.16 0.09 0.11 -0.04 1.64 1.96 1lf6A1 LEU 287 HB3 0.10 0.01 0.18 -0.04 1.64 1.88 1lf6A1 LEU 287 HG -0.40 0.16 0.08 -0.04 1.64 1.45 1lf6A1 LEU 287 HD13 -0.14 -0.04 0.00 -0.04 0.93 0.71 1lf6A1 LEU 287 HD23 -0.14 -0.04 -0.13 -0.04 0.89 0.54 1lf6A1 ASN 288 H 0.00 0.63 0.31 -0.55 8.53 8.92 1lf6A1 ASN 288 HA -0.14 -0.01 0.48 -0.75 4.76 4.33 1lf6A1 ASN 288 HB2 -0.56 0.07 0.15 -0.04 2.88 2.50 1lf6A1 ASN 288 HB3 -0.77 -0.21 0.11 -0.04 2.79 1.89 1lf6A1 ASN 288 HD21 -0.07 -0.04 -0.19 -0.04 7.03 6.69 1lf6A1 ASN 288 HD22 -0.10 0.20 -0.16 -0.04 7.74 7.64 1lf6A1 ASN 289 H -0.12 0.07 0.24 -0.55 8.53 8.17 1lf6A1 ASN 289 HA 0.14 0.28 0.87 -0.75 4.76 5.29 1lf6A1 ASN 289 HB2 0.18 -0.03 0.14 -0.04 2.88 3.13 1lf6A1 ASN 289 HB3 0.19 0.22 0.03 -0.04 2.79 3.18 1lf6A1 ASN 289 HD21 0.02 -0.01 0.03 -0.04 7.03 7.03 1lf6A1 ASN 289 HD22 0.06 0.16 0.03 -0.04 7.74 7.95 1lf6A1 PHE 290 H -0.48 0.11 -0.01 -0.55 8.34 7.40 1lf6A1 PHE 290 HA -0.07 0.09 0.34 -0.75 4.62 4.22 1lf6A1 PHE 290 HB2 -0.15 -0.00 -0.03 -0.04 3.15 2.93 1lf6A1 PHE 290 HB3 -0.18 0.09 0.12 -0.04 3.06 3.05 1lf6A1 PHE 290 HD2 -0.26 -0.02 -0.22 -0.04 7.28 6.74 1lf6A1 PHE 290 HE2 -0.35 0.05 -0.02 -0.04 7.38 7.03 1lf6A1 PHE 290 HZ -0.02 0.16 -0.03 -0.04 7.32 7.39 1lf6A1 ASN 291 H -0.02 0.06 -0.02 -0.55 8.53 8.01 1lf6A1 ASN 291 HA 0.01 0.02 0.29 -0.75 4.76 4.32 1lf6A1 ASN 291 HB2 0.02 0.18 -0.12 -0.04 2.88 2.92 1lf6A1 ASN 291 HB3 0.01 0.02 0.21 -0.04 2.79 3.00 1lf6A1 ASN 291 HD21 -0.01 0.02 -0.04 -0.04 7.03 6.97 1lf6A1 ASN 291 HD22 0.01 0.07 -0.16 -0.04 7.74 7.62 1lf6A1 GLY 292 H 0.07 -0.02 -0.43 -0.55 8.43 7.50 1lf6A1 GLY 292 HA2 0.10 -0.02 0.28 -0.51 4.01 3.85 1lf6A1 GLY 292 HA3 0.06 0.08 0.49 -0.51 4.01 4.12 1lf6A1 LYS 293 H 0.11 0.42 -0.22 -0.55 8.42 8.17 1lf6A1 LYS 293 HA 0.08 0.10 0.67 -0.75 4.32 4.42 1lf6A1 LYS 293 HB2 0.01 0.07 0.13 -0.04 1.87 2.03 1lf6A1 LYS 293 HB3 -0.05 -0.11 0.03 -0.04 1.79 1.61 1lf6A1 LYS 293 HG2 0.00 -0.06 -0.01 -0.04 1.46 1.35 1lf6A1 LYS 293 HG3 0.01 0.15 -0.02 -0.04 1.46 1.56 1lf6A1 LYS 293 HD2 -0.10 0.01 0.02 -0.04 1.69 1.58 1lf6A1 LYS 293 HD3 -0.14 -0.07 0.02 -0.04 1.68 1.45 1lf6A1 LYS 293 HE2 -0.03 -0.05 0.01 -0.04 2.99 2.88 1lf6A1 LYS 293 HE3 -0.02 0.02 0.01 -0.04 2.99 2.95 1lf6A1 ALA 294 H 0.18 0.52 0.01 -0.55 8.40 8.56 1lf6A1 ALA 294 HA 0.06 -0.08 0.33 -0.75 4.34 3.90 1lf6A1 ALA 294 HB3 0.00 -0.02 0.07 -0.04 1.41 1.42 1lf6A1 ASN 295 H -0.26 -0.02 0.21 -0.55 8.53 7.91 1lf6A1 ASN 295 HA 0.13 0.32 0.93 -0.75 4.76 5.39 1lf6A1 ASN 295 HB2 0.02 -0.12 0.22 -0.04 2.88 2.96 1lf6A1 ASN 295 HB3 0.06 0.24 0.08 -0.04 2.79 3.13 1lf6A1 ASN 295 HD21 -0.13 0.01 -0.00 -0.04 7.03 6.87 1lf6A1 ASN 295 HD22 0.03 0.10 0.03 -0.04 7.74 7.86 1lf6A1 SER 296 H 0.06 0.21 0.19 -0.55 8.46 8.37 1lf6A1 SER 296 HA 0.17 0.15 0.47 -0.75 4.49 4.53 1lf6A1 SER 296 HB2 0.02 0.06 0.09 -0.04 3.95 4.08 1lf6A1 SER 296 HB3 0.05 0.04 0.17 -0.04 3.93 4.14 1lf6A1 LEU 297 H -0.05 0.12 -0.04 -0.55 8.37 7.86 1lf6A1 LEU 297 HA -0.09 0.14 0.44 -0.75 4.35 4.09 1lf6A1 LEU 297 HB2 -0.21 0.06 0.11 -0.04 1.64 1.56 1lf6A1 LEU 297 HB3 -0.29 -0.02 0.02 -0.04 1.64 1.31 1lf6A1 LEU 297 HG -0.88 -0.05 -0.11 -0.04 1.64 0.57 1lf6A1 LEU 297 HD13 -0.15 -0.01 0.08 -0.04 0.93 0.81 1lf6A1 LEU 297 HD23 -0.79 0.03 -0.06 -0.04 0.89 0.03 1lf6A1 TYR 298 H -0.04 0.06 -0.40 -0.55 8.29 7.36 1lf6A1 TYR 298 HA -0.02 0.05 0.39 -0.75 4.56 4.23 1lf6A1 TYR 298 HB2 -0.75 -0.03 0.09 -0.04 3.06 2.32 1lf6A1 TYR 298 HB3 -0.41 0.17 0.17 -0.04 2.98 2.87 1lf6A1 TYR 298 HD2 -0.60 -0.01 -0.02 -0.04 7.15 6.48 1lf6A1 TYR 298 HE2 -0.12 0.08 -0.03 -0.04 6.85 6.74 1lf6A1 TYR 299 H 0.05 0.45 -0.03 -0.55 8.29 8.22 1lf6A1 TYR 299 HA -0.26 0.03 0.46 -0.75 4.56 4.03 1lf6A1 TYR 299 HB2 -0.01 0.08 0.21 -0.04 3.06 3.30 1lf6A1 TYR 299 HB3 -0.04 0.02 0.09 -0.04 2.98 3.00 1lf6A1 TYR 299 HD2 0.04 -0.01 -0.07 -0.04 7.15 7.06 1lf6A1 TYR 299 HE2 0.13 0.19 -0.11 -0.04 6.85 7.02 1lf6A1 ASN 300 H 0.02 0.74 -0.04 -0.55 8.53 8.70 1lf6A1 ASN 300 HA -0.11 -0.01 0.37 -0.75 4.76 4.26 1lf6A1 ASN 300 HB2 -0.05 0.06 0.13 -0.04 2.88 2.98 1lf6A1 ASN 300 HB3 -0.07 0.02 0.18 -0.04 2.79 2.89 1lf6A1 ASN 300 HD21 -0.08 0.01 0.03 -0.04 7.03 6.95 1lf6A1 ASN 300 HD22 -0.14 -0.04 0.04 -0.04 7.74 7.56 1lf6A1 SER 301 H -0.06 0.70 -0.14 -0.55 8.46 8.41 1lf6A1 SER 301 HA -0.24 -0.05 0.40 -0.75 4.49 3.84 1lf6A1 SER 301 HB2 0.04 0.12 0.19 -0.04 3.95 4.25 1lf6A1 SER 301 HB3 0.13 -0.10 0.01 -0.04 3.93 3.93 1lf6A1 MET 302 H -0.17 0.59 -0.14 -0.55 8.47 8.21 1lf6A1 MET 302 HA -0.10 -0.04 0.38 -0.75 4.52 4.01 1lf6A1 MET 302 HB2 -0.14 0.12 0.14 -0.04 2.15 2.23 1lf6A1 MET 302 HB3 0.10 -0.05 0.01 -0.04 2.03 2.05 1lf6A1 MET 302 HG2 -0.60 0.21 0.07 -0.04 2.63 2.26 1lf6A1 MET 302 HG3 -0.45 0.01 0.01 -0.04 2.56 2.09 1lf6A1 MET 302 HE3 -0.05 -0.02 -0.09 -0.04 2.10 1.89 1lf6A1 MET 303 H -0.05 0.61 -0.20 -0.55 8.47 8.29 1lf6A1 MET 303 HA 0.17 0.03 0.46 -0.75 4.52 4.42 1lf6A1 MET 303 HB2 -0.34 0.12 0.09 -0.04 2.15 1.97 1lf6A1 MET 303 HB3 -1.01 -0.09 -0.02 -0.04 2.03 0.87 1lf6A1 MET 303 HG2 0.17 -0.04 -0.04 -0.04 2.63 2.68 1lf6A1 MET 303 HG3 -0.01 0.40 0.03 -0.04 2.56 2.95 1lf6A1 MET 303 HE3 0.10 0.08 -0.31 -0.04 2.10 1.92 1lf6A1 ILE 304 H -0.17 0.60 -0.09 -0.55 8.25 8.04 1lf6A1 ILE 304 HA -0.13 0.02 0.31 -0.75 4.18 3.63 1lf6A1 ILE 304 HB -0.31 0.14 0.15 -0.04 1.89 1.82 1lf6A1 ILE 304 HG12 -0.19 -0.06 0.00 -0.04 1.49 1.21 1lf6A1 ILE 304 HG13 -0.24 0.23 0.08 -0.04 1.21 1.24 1lf6A1 ILE 304 HG23 -0.20 -0.04 -0.19 -0.04 0.93 0.46 1lf6A1 ILE 304 HD13 -0.43 -0.03 -0.10 -0.04 0.88 0.28 1lf6A1 LEU 305 H -0.07 0.54 -0.24 -0.55 8.37 8.06 1lf6A1 LEU 305 HA 0.04 -0.01 0.33 -0.75 4.35 3.95 1lf6A1 LEU 305 HB2 -0.25 0.12 0.08 -0.04 1.64 1.55 1lf6A1 LEU 305 HB3 -0.43 -0.06 -0.05 -0.04 1.64 1.05 1lf6A1 LEU 305 HG -0.12 0.31 -0.00 -0.04 1.64 1.79 1lf6A1 LEU 305 HD13 -0.33 -0.03 -0.09 -0.04 0.93 0.44 1lf6A1 LEU 305 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 1lf6A1 LYS 306 H 0.22 0.58 -0.18 -0.55 8.42 8.48 1lf6A1 LYS 306 HA 0.51 -0.06 0.33 -0.75 4.32 4.34 1lf6A1 LYS 306 HB2 0.29 0.27 0.25 -0.04 1.87 2.64 1lf6A1 LYS 306 HB3 0.35 0.03 -0.01 -0.04 1.79 2.12 1lf6A1 LYS 306 HG2 0.08 -0.06 0.03 -0.04 1.46 1.46 1lf6A1 LYS 306 HG3 -1.44 -0.01 -0.01 -0.04 1.46 -0.04 1lf6A1 LYS 306 HD2 -0.37 0.01 -0.07 -0.04 1.69 1.23 1lf6A1 LYS 306 HD3 -0.02 -0.01 0.07 -0.04 1.68 1.68 1lf6A1 LYS 306 HE2 -0.20 -0.07 -0.02 -0.04 2.99 2.66 1lf6A1 LYS 306 HE3 -0.58 0.02 -0.03 -0.04 2.99 2.36 1lf6A1 ALA 307 H 0.23 0.62 -0.38 -0.55 8.40 8.32 1lf6A1 ALA 307 HA 0.33 0.07 0.46 -0.75 4.34 4.45 1lf6A1 ALA 307 HB3 0.23 -0.03 0.00 -0.04 1.41 1.57 1lf6A1 SER 308 H 0.30 0.56 -0.61 -0.55 8.46 8.16 1lf6A1 SER 308 HA 0.05 0.11 0.72 -0.75 4.49 4.62 1lf6A1 SER 308 HB2 0.27 0.13 0.10 -0.04 3.95 4.41 1lf6A1 SER 308 HB3 0.09 -0.17 0.12 -0.04 3.93 3.94 1lf6A1 GLU 309 H 0.17 0.29 -0.34 -0.55 8.60 8.18 1lf6A1 GLU 309 HA -0.54 0.20 0.67 -0.75 4.29 3.88 1lf6A1 GLU 309 HB2 -1.11 -0.04 -0.08 -0.04 2.09 0.82 1lf6A1 GLU 309 HB3 -0.05 0.11 -0.01 -0.04 1.99 2.00 1lf6A1 GLU 309 HG2 -0.08 0.55 -0.23 -0.04 2.34 2.55 1lf6A1 GLU 309 HG3 -0.58 -0.22 -0.09 -0.04 2.34 1.42 1lf6A1 ASP 310 H -0.21 0.42 0.20 -0.55 8.40 8.27 1lf6A1 ASP 310 HA 0.03 -0.01 0.52 -0.75 4.63 4.41 1lf6A1 ASP 310 HB2 -0.12 0.07 0.14 -0.04 2.71 2.76 1lf6A1 ASP 310 HB3 -0.06 0.23 0.09 -0.04 2.70 2.93 1lf6A1 LYS 311 H 0.50 0.08 0.13 -0.55 8.42 8.58 1lf6A1 LYS 311 HA 0.42 0.21 0.63 -0.75 4.32 4.83 1lf6A1 LYS 311 HB2 0.25 -0.01 0.05 -0.04 1.87 2.12 1lf6A1 LYS 311 HB3 0.26 0.07 0.13 -0.04 1.79 2.21 1lf6A1 LYS 311 HG2 0.06 0.01 -0.15 -0.04 1.46 1.35 1lf6A1 LYS 311 HG3 0.42 -0.01 -0.12 -0.04 1.46 1.70 1lf6A1 LYS 311 HD2 -0.64 -0.13 -0.07 -0.04 1.69 0.81 1lf6A1 LYS 311 HD3 -0.22 -0.01 -0.09 -0.04 1.68 1.31 1lf6A1 LYS 311 HE2 -0.36 -0.02 -0.01 -0.04 2.99 2.57 1lf6A1 LYS 311 HE3 -0.78 -0.06 -0.03 -0.04 2.99 2.08 1lf6A1 THR 312 H 0.12 -0.14 -0.19 -0.55 8.28 7.52 1lf6A1 THR 312 HA 0.02 0.25 0.83 -0.75 4.39 4.74 1lf6A1 THR 312 HB 0.04 -0.11 0.06 -0.04 4.32 4.26 1lf6A1 THR 312 HG23 0.01 0.01 -0.06 -0.04 1.22 1.15 1lf6A1 ASN 313 H 0.03 -0.06 -0.09 -0.55 8.53 7.86 1lf6A1 ASN 313 HA 0.04 0.20 0.71 -0.75 4.76 4.96 1lf6A1 ASN 313 HB2 0.03 -0.21 0.09 -0.04 2.88 2.75 1lf6A1 ASN 313 HB3 0.13 0.17 0.09 -0.04 2.79 3.14 1lf6A1 ASN 313 HD21 0.06 0.00 0.03 -0.04 7.03 7.08 1lf6A1 ASN 313 HD22 0.12 0.06 0.01 -0.04 7.74 7.89 1lf6A1 LYS 314 H -0.03 0.28 -0.19 -0.55 8.42 7.92 1lf6A1 LYS 314 HA -0.05 0.15 0.31 -0.75 4.32 3.97 1lf6A1 LYS 314 HB2 -0.07 0.01 0.00 -0.04 1.87 1.77 1lf6A1 LYS 314 HB3 -0.07 -0.03 -0.06 -0.04 1.79 1.59 1lf6A1 LYS 314 HG2 -0.34 0.06 -0.14 -0.04 1.46 1.01 1lf6A1 LYS 314 HG3 -0.21 0.08 -0.19 -0.04 1.46 1.10 1lf6A1 LYS 314 HD2 -0.25 -0.01 -0.04 -0.04 1.69 1.34 1lf6A1 LYS 314 HD3 -0.43 -0.04 -0.06 -0.04 1.68 1.12 1lf6A1 LYS 314 HE2 -1.90 0.01 -0.04 -0.04 2.99 1.02 1lf6A1 LYS 314 HE3 -0.49 0.08 -0.03 -0.04 2.99 2.51 1lf6A1 GLY 315 H -0.15 0.17 0.03 -0.55 8.43 7.93 1lf6A1 GLY 315 HA2 0.11 -0.05 0.04 -0.51 4.01 3.60 1lf6A1 GLY 315 HA3 0.09 0.33 0.49 -0.51 4.01 4.41 1lf6A1 ALA 316 H -0.32 0.37 -0.36 -0.55 8.40 7.54 1lf6A1 ALA 316 HA -0.92 0.09 0.55 -0.75 4.34 3.30 1lf6A1 ALA 316 HB3 -0.43 0.00 0.12 -0.04 1.41 1.07 1lf6A1 TYR 317 H -0.02 0.27 0.15 -0.55 8.29 8.14 1lf6A1 TYR 317 HA -0.02 0.35 0.78 -0.75 4.56 4.92 1lf6A1 TYR 317 HB2 0.04 -0.08 0.09 -0.04 3.06 3.07 1lf6A1 TYR 317 HB3 0.07 0.05 -0.09 -0.04 2.98 2.97 1lf6A1 TYR 317 HD2 0.10 0.12 -0.18 -0.04 7.15 7.14 1lf6A1 TYR 317 HE2 0.14 0.09 -0.08 -0.04 6.85 6.96 1lf6A1 ILE 318 H 0.00 0.51 0.18 -0.55 8.25 8.39 1lf6A1 ILE 318 HA 0.05 0.24 0.59 -0.75 4.18 4.31 1lf6A1 ILE 318 HB -0.07 0.05 0.18 -0.04 1.89 2.00 1lf6A1 ILE 318 HG12 -0.13 0.25 0.06 -0.04 1.49 1.62 1lf6A1 ILE 318 HG13 -0.09 -0.13 -0.30 -0.04 1.21 0.65 1lf6A1 ILE 318 HG23 -0.13 0.02 -0.26 -0.04 0.93 0.52 1lf6A1 ILE 318 HD13 -0.37 0.03 -0.19 -0.04 0.88 0.31 1lf6A1 ALA 319 H 0.19 0.44 0.32 -0.55 8.40 8.80 1lf6A1 ALA 319 HA 0.15 -0.02 0.57 -0.75 4.34 4.30 1lf6A1 ALA 319 HB3 0.16 -0.02 0.20 -0.04 1.41 1.71 1lf6A1 SER 320 H -0.02 0.50 0.09 -0.55 8.46 8.48 1lf6A1 SER 320 HA -0.08 0.16 0.47 -0.75 4.49 4.29 1lf6A1 SER 320 HB2 -0.05 0.02 -0.06 -0.04 3.95 3.82 1lf6A1 SER 320 HB3 -0.15 -0.12 -0.06 -0.04 3.93 3.56 1lf6A1 LEU 321 H -0.17 0.24 -0.01 -0.55 8.37 7.87 1lf6A1 LEU 321 HA -0.49 0.16 0.58 -0.75 4.35 3.85 1lf6A1 LEU 321 HB2 -0.24 0.03 0.05 -0.04 1.64 1.44 1lf6A1 LEU 321 HB3 -0.16 0.00 0.17 -0.04 1.64 1.61 1lf6A1 LEU 321 HG -0.26 -0.04 -0.01 -0.04 1.64 1.29 1lf6A1 LEU 321 HD13 -0.96 -0.00 -0.04 -0.04 0.93 -0.11 1lf6A1 LEU 321 HD23 -0.13 0.01 -0.03 -0.04 0.89 0.70 1lf6A1 SER 322 H -0.30 0.42 -0.50 -0.55 8.46 7.53 1lf6A1 SER 322 HA 0.00 0.17 0.53 -0.75 4.49 4.44 1lf6A1 SER 322 HB2 -0.15 -0.09 0.11 -0.04 3.95 3.78 1lf6A1 SER 322 HB3 -0.15 0.39 -0.12 -0.04 3.93 4.01 1lf6A1 ILE 323 H -0.06 0.25 -0.05 -0.55 8.25 7.84 1lf6A1 ILE 323 HA 0.01 0.10 0.80 -0.75 4.18 4.33 1lf6A1 ILE 323 HB -0.03 0.02 0.10 -0.04 1.89 1.93 1lf6A1 ILE 323 HG12 -0.18 -0.00 -0.22 -0.04 1.49 1.04 1lf6A1 ILE 323 HG13 -0.06 -0.08 -0.47 -0.04 1.21 0.56 1lf6A1 ILE 323 HG23 -0.04 0.01 -0.11 -0.04 0.93 0.75 1lf6A1 ILE 323 HD13 -1.20 0.02 -0.10 -0.04 0.88 -0.45 1lf6A1 PRO 324 HA -0.57 0.05 0.32 -0.51 4.44 3.73 1lf6A1 PRO 324 HB2 -0.74 0.07 -0.06 -0.04 2.28 1.51 1lf6A1 PRO 324 HB3 -0.93 -0.15 0.07 -0.04 2.02 0.97 1lf6A1 PRO 324 HG2 0.19 0.09 0.00 -0.04 2.03 2.26 1lf6A1 PRO 324 HG3 -0.13 0.02 0.03 -0.04 2.03 1.91 1lf6A1 PRO 324 HD2 -0.02 0.11 0.14 -0.04 3.68 3.87 1lf6A1 PRO 324 HD3 -0.53 0.09 -0.08 -0.04 3.65 3.09 1lf6A1 TRP 325 H -0.62 0.44 0.28 -0.55 7.97 7.52 1lf6A1 TRP 325 HA 0.00 -0.06 0.40 -0.75 4.62 4.22 1lf6A1 TRP 325 HB2 0.00 0.24 -0.12 -0.04 3.23 3.32 1lf6A1 TRP 325 HB3 -0.07 -0.01 0.17 -0.04 3.23 3.29 1lf6A1 TRP 325 HD1 0.00 0.04 0.09 -0.04 7.22 7.31 1lf6A1 TRP 325 HE1 -0.14 -0.08 -0.06 -0.04 10.20 9.88 1lf6A1 TRP 325 HE3 0.12 0.19 -0.29 -0.04 7.59 7.56 1lf6A1 TRP 325 HZ2 -0.47 -0.03 -0.07 -0.04 7.44 6.83 1lf6A1 TRP 325 HZ3 -0.26 0.05 -0.12 -0.04 7.13 6.75 1lf6A1 TRP 325 HH2 -1.18 0.08 -0.14 -0.04 7.19 5.90 1lf6A1 GLY 326 H 0.06 0.18 -0.21 -0.55 8.43 7.91 1lf6A1 GLY 326 HA2 0.26 0.04 0.26 -0.51 4.01 4.05 1lf6A1 GLY 326 HA3 0.22 0.19 0.12 -0.51 4.01 4.03 1lf6A1 ASP 327 H 0.15 -0.10 -0.46 -0.55 8.40 7.44 1lf6A1 ASP 327 HA 0.13 0.22 0.27 -0.75 4.63 4.51 1lf6A1 ASP 327 HB2 0.12 -0.08 -0.00 -0.04 2.71 2.71 1lf6A1 ASP 327 HB3 0.16 -0.08 -0.05 -0.04 2.70 2.69 1lf6A1 GLY 328 H 0.18 0.35 -0.36 -0.55 8.43 8.06 1lf6A1 GLY 328 HA2 0.24 0.13 0.66 -0.51 4.01 4.54 1lf6A1 GLY 328 HA3 0.20 -0.07 0.23 -0.51 4.01 3.87 1lf6A1 GLN 329 H 0.20 0.31 -0.31 -0.55 8.47 8.13 1lf6A1 GLN 329 HA 0.17 0.07 0.79 -0.75 4.36 4.64 1lf6A1 GLN 329 HB2 0.32 -0.05 0.12 -0.04 2.15 2.50 1lf6A1 GLN 329 HB3 0.32 0.07 -0.06 -0.04 2.02 2.31 1lf6A1 GLN 329 HG2 0.18 -0.01 -0.07 -0.04 2.40 2.45 1lf6A1 GLN 329 HG3 0.23 0.16 -0.24 -0.04 2.39 2.50 1lf6A1 GLN 329 HE21 0.22 -0.26 -0.12 -0.04 6.97 6.77 1lf6A1 GLN 329 HE22 0.26 0.79 -0.17 -0.04 7.69 8.53 1lf6A1 ARG 330 H 0.16 0.10 0.17 -0.55 8.46 8.34 1lf6A1 ARG 330 HA 0.07 0.18 0.51 -0.75 4.34 4.35 1lf6A1 ARG 330 HB2 0.10 0.04 0.16 -0.04 1.90 2.16 1lf6A1 ARG 330 HB3 0.11 0.01 0.11 -0.04 1.80 1.98 1lf6A1 ARG 330 HG2 0.03 -0.14 0.05 -0.04 1.67 1.57 1lf6A1 ARG 330 HG3 0.04 0.07 0.12 -0.04 1.67 1.86 1lf6A1 ARG 330 HD2 0.03 -0.03 0.03 -0.04 3.22 3.22 1lf6A1 ARG 330 HD3 0.06 0.04 0.04 -0.04 3.22 3.32 1lf6A1 ASP 331 H -0.07 0.41 0.25 -0.55 8.40 8.44 1lf6A1 ASP 331 HA -0.42 0.12 0.20 -0.75 4.63 3.77 1lf6A1 ASP 331 HB2 -0.74 -0.15 0.03 -0.04 2.71 1.81 1lf6A1 ASP 331 HB3 -0.42 0.05 -0.38 -0.04 2.70 1.91 1lf6A1 ASP 332 H 0.09 0.06 -0.47 -0.55 8.40 7.53 1lf6A1 ASP 332 HA 0.11 0.13 0.93 -0.75 4.63 5.04 1lf6A1 ASP 332 HB2 0.06 0.03 0.04 -0.04 2.71 2.80 1lf6A1 ASP 332 HB3 0.04 -0.11 0.03 -0.04 2.70 2.61 1lf6A1 ASN 333 H 0.19 0.25 0.27 -0.55 8.53 8.70 1lf6A1 ASN 333 HA 0.18 0.10 0.47 -0.75 4.76 4.76 1lf6A1 ASN 333 HB2 0.12 -0.02 0.05 -0.04 2.88 2.99 1lf6A1 ASN 333 HB3 0.15 0.01 0.03 -0.04 2.79 2.93 1lf6A1 ASN 333 HD21 0.30 -0.03 -0.08 -0.04 7.03 7.18 1lf6A1 ASN 333 HD22 0.18 -0.01 -0.00 -0.04 7.74 7.87 1lf6A1 THR 334 H 0.14 0.26 0.08 -0.55 8.28 8.20 1lf6A1 THR 334 HA 0.08 0.15 0.96 -0.75 4.39 4.82 1lf6A1 THR 334 HB -0.33 -0.03 -0.05 -0.04 4.32 3.86 1lf6A1 THR 334 HG23 0.04 -0.04 -0.06 -0.04 1.22 1.12 1lf6A1 GLY 335 H -0.01 0.09 0.07 -0.55 8.43 8.03 1lf6A1 GLY 335 HA2 -0.04 0.08 0.35 -0.51 4.01 3.89 1lf6A1 GLY 335 HA3 -0.15 0.18 0.43 -0.51 4.01 3.96 1lf6A1 GLY 336 H 0.10 0.16 0.16 -0.55 8.43 8.31 1lf6A1 GLY 336 HA2 -0.19 0.13 0.43 -0.51 4.01 3.88 1lf6A1 GLY 336 HA3 0.12 0.06 0.36 -0.51 4.01 4.04 1lf6A1 TYR 337 H 0.40 0.16 0.01 -0.55 8.29 8.30 1lf6A1 TYR 337 HA 0.31 0.11 0.65 -0.75 4.56 4.88 1lf6A1 TYR 337 HB2 -0.11 0.21 0.14 -0.04 3.06 3.26 1lf6A1 TYR 337 HB3 -0.10 -0.08 0.19 -0.04 2.98 2.94 1lf6A1 TYR 337 HD2 -0.01 -0.03 -0.03 -0.04 7.15 7.04 1lf6A1 TYR 337 HE2 0.05 0.01 -0.02 -0.04 6.85 6.85 1lf6A1 HIS 338 H 0.18 0.17 -0.77 -0.55 8.41 7.45 1lf6A1 HIS 338 HA -0.06 0.13 0.67 -0.75 4.63 4.62 1lf6A1 HIS 338 HB2 -0.09 0.11 0.14 -0.04 3.26 3.38 1lf6A1 HIS 338 HB3 -0.11 -0.05 0.21 -0.04 3.20 3.21 1lf6A1 HIS 338 HD2 -0.32 0.30 0.11 -0.04 6.97 7.01 1lf6A1 HIS 338 HE1 -0.08 0.03 -0.30 -0.04 7.75 7.36 1lf6A1 LEU 339 H 0.01 0.05 -0.67 -0.55 8.37 7.21 1lf6A1 LEU 339 HA -0.35 0.15 0.83 -0.75 4.35 4.23 1lf6A1 LEU 339 HB2 -1.22 -0.01 -0.01 -0.04 1.64 0.36 1lf6A1 LEU 339 HB3 -1.03 -0.00 0.01 -0.04 1.64 0.58 1lf6A1 LEU 339 HG -0.70 0.11 -0.15 -0.04 1.64 0.86 1lf6A1 LEU 339 HD13 -1.50 -0.01 -0.02 -0.04 0.93 -0.65 1lf6A1 LEU 339 HD23 -1.32 -0.01 -0.17 -0.04 0.89 -0.64 1lf6A1 VAL 340 H -0.34 0.75 0.23 -0.55 8.24 8.33 1lf6A1 VAL 340 HA 0.05 0.25 0.90 -0.75 4.13 4.58 1lf6A1 VAL 340 HB 0.03 0.00 0.01 -0.04 2.12 2.12 1lf6A1 VAL 340 HG13 0.04 0.03 -0.17 -0.04 0.97 0.83 1lf6A1 VAL 340 HG23 -0.16 0.02 -0.34 -0.04 0.95 0.43 1lf6A1 TRP 341 H 0.37 0.25 0.16 -0.55 7.97 8.20 1lf6A1 TRP 341 HA -0.00 0.31 1.00 -0.75 4.62 5.18 1lf6A1 TRP 341 HB2 -0.02 -0.03 0.17 -0.04 3.23 3.31 1lf6A1 TRP 341 HB3 -0.04 -0.21 0.06 -0.04 3.23 3.01 1lf6A1 TRP 341 HD1 0.02 0.05 0.10 -0.04 7.22 7.34 1lf6A1 TRP 341 HE1 0.06 -0.01 -0.07 -0.04 10.20 10.14 1lf6A1 TRP 341 HE3 -0.07 0.04 -0.10 -0.04 7.59 7.42 1lf6A1 TRP 341 HZ2 -0.11 -0.00 -0.05 -0.04 7.44 7.23 1lf6A1 TRP 341 HZ3 -0.21 -0.06 0.08 -0.04 7.13 6.90 1lf6A1 TRP 341 HH2 -0.37 0.20 -0.01 -0.04 7.19 6.97 1lf6A1 SER 342 H 0.13 0.37 0.13 -0.55 8.46 8.55 1lf6A1 SER 342 HA 0.11 0.12 0.36 -0.75 4.49 4.32 1lf6A1 SER 342 HB2 0.06 0.12 0.11 -0.04 3.95 4.20 1lf6A1 SER 342 HB3 0.06 -0.07 0.16 -0.04 3.93 4.04 1lf6A1 ARG 343 H 0.09 0.11 -0.19 -0.55 8.46 7.91 1lf6A1 ARG 343 HA -0.17 0.11 0.35 -0.75 4.34 3.87 1lf6A1 ARG 343 HB2 -0.10 -0.00 0.02 -0.04 1.90 1.78 1lf6A1 ARG 343 HB3 -0.11 -0.03 0.08 -0.04 1.80 1.70 1lf6A1 ARG 343 HG2 -0.78 0.01 -0.28 -0.04 1.67 0.59 1lf6A1 ARG 343 HG3 -0.26 0.02 -0.06 -0.04 1.67 1.33 1lf6A1 ARG 343 HD2 -0.29 0.00 -0.05 -0.04 3.22 2.85 1lf6A1 ARG 343 HD3 -0.14 -0.07 -0.02 -0.04 3.22 2.94 1lf6A1 ASP 344 H -0.04 0.08 -0.11 -0.55 8.40 7.78 1lf6A1 ASP 344 HA -0.41 -0.00 0.37 -0.75 4.63 3.84 1lf6A1 ASP 344 HB2 0.14 0.08 0.11 -0.04 2.71 3.00 1lf6A1 ASP 344 HB3 0.07 0.04 -0.00 -0.04 2.70 2.77 1lf6A1 LEU 345 H 0.08 0.65 -0.18 -0.55 8.37 8.38 1lf6A1 LEU 345 HA 0.08 0.03 0.36 -0.75 4.35 4.07 1lf6A1 LEU 345 HB2 0.14 0.06 0.08 -0.04 1.64 1.87 1lf6A1 LEU 345 HB3 0.12 0.06 0.08 -0.04 1.64 1.86 1lf6A1 LEU 345 HG 0.15 -0.05 -0.13 -0.04 1.64 1.57 1lf6A1 LEU 345 HD13 0.26 -0.00 0.12 -0.04 0.93 1.26 1lf6A1 LEU 345 HD23 0.20 0.03 0.01 -0.04 0.89 1.08 1lf6A1 TYR 346 H 0.05 0.56 -0.22 -0.55 8.29 8.13 1lf6A1 TYR 346 HA -0.07 0.02 0.36 -0.75 4.56 4.11 1lf6A1 TYR 346 HB2 -0.15 0.00 0.05 -0.04 3.06 2.92 1lf6A1 TYR 346 HB3 -0.38 0.19 0.24 -0.04 2.98 2.98 1lf6A1 TYR 346 HD2 -0.60 0.00 -0.04 -0.04 7.15 6.47 1lf6A1 TYR 346 HE2 -0.10 -0.02 -0.09 -0.04 6.85 6.60 1lf6A1 HIS 347 H -0.26 0.45 -0.13 -0.55 8.41 7.92 1lf6A1 HIS 347 HA -0.32 0.05 0.41 -0.75 4.63 4.02 1lf6A1 HIS 347 HB2 -0.42 0.08 0.15 -0.04 3.26 3.02 1lf6A1 HIS 347 HB3 0.02 -0.03 -0.01 -0.04 3.20 3.14 1lf6A1 HIS 347 HD2 -0.00 0.03 -0.04 -0.04 6.97 6.91 1lf6A1 HIS 347 HE1 -0.16 -0.09 -0.07 -0.04 7.75 7.39 1lf6A1 VAL 348 H -0.03 0.62 -0.12 -0.55 8.24 8.17 1lf6A1 VAL 348 HA -0.11 -0.02 0.39 -0.75 4.13 3.64 1lf6A1 VAL 348 HB -0.05 0.12 0.14 -0.04 2.12 2.29 1lf6A1 VAL 348 HG13 -0.33 -0.01 -0.17 -0.04 0.97 0.42 1lf6A1 VAL 348 HG23 0.02 0.04 -0.10 -0.04 0.95 0.87 1lf6A1 ALA 349 H -0.04 0.78 -0.12 -0.55 8.40 8.48 1lf6A1 ALA 349 HA 0.21 -0.04 0.36 -0.75 4.34 4.12 1lf6A1 ALA 349 HB3 0.03 0.04 0.11 -0.04 1.41 1.55 1lf6A1 ASN 350 H -0.16 0.44 -0.31 -0.55 8.53 7.95 1lf6A1 ASN 350 HA -0.06 0.03 0.43 -0.75 4.76 4.41 1lf6A1 ASN 350 HB2 -0.14 0.13 0.15 -0.04 2.88 2.98 1lf6A1 ASN 350 HB3 -0.08 -0.07 0.00 -0.04 2.79 2.60 1lf6A1 ASN 350 HD21 -1.43 -0.04 -0.08 -0.04 7.03 5.44 1lf6A1 ASN 350 HD22 -0.55 -0.09 -0.06 -0.04 7.74 6.99 1lf6A1 ALA 351 H -0.07 0.44 -0.24 -0.55 8.40 7.99 1lf6A1 ALA 351 HA 0.02 0.01 0.45 -0.75 4.34 4.06 1lf6A1 ALA 351 HB3 -0.13 0.03 0.14 -0.04 1.41 1.41 1lf6A1 PHE 352 H -0.06 0.52 -0.08 -0.55 8.34 8.17 1lf6A1 PHE 352 HA 0.05 0.00 0.38 -0.75 4.62 4.29 1lf6A1 PHE 352 HB2 -0.03 0.11 0.13 -0.04 3.15 3.31 1lf6A1 PHE 352 HB3 0.02 0.19 0.02 -0.04 3.06 3.25 1lf6A1 PHE 352 HD2 -0.05 -0.03 -0.12 -0.04 7.28 7.05 1lf6A1 PHE 352 HE2 -0.46 0.03 -0.12 -0.04 7.38 6.79 1lf6A1 PHE 352 HZ -0.01 0.07 -0.43 -0.04 7.32 6.91 1lf6A1 ILE 353 H 0.12 0.55 -0.30 -0.55 8.25 8.07 1lf6A1 ILE 353 HA 0.08 -0.04 0.26 -0.75 4.18 3.72 1lf6A1 ILE 353 HB 0.03 0.14 0.14 -0.04 1.89 2.16 1lf6A1 ILE 353 HG12 0.06 0.34 0.06 -0.04 1.49 1.90 1lf6A1 ILE 353 HG13 0.01 -0.03 -0.06 -0.04 1.21 1.09 1lf6A1 ILE 353 HG23 0.02 -0.00 -0.15 -0.04 0.93 0.76 1lf6A1 ILE 353 HD13 0.03 -0.03 -0.06 -0.04 0.88 0.78 1lf6A1 ALA 354 H 0.07 0.58 -0.11 -0.55 8.40 8.40 1lf6A1 ALA 354 HA 0.09 0.03 0.36 -0.75 4.34 4.07 1lf6A1 ALA 354 HB3 0.12 -0.00 0.07 -0.04 1.41 1.55 1lf6A1 ALA 355 H 0.16 0.41 -0.45 -0.55 8.40 7.97 1lf6A1 ALA 355 HA 0.32 0.09 0.66 -0.75 4.34 4.65 1lf6A1 ALA 355 HB3 0.16 -0.02 0.10 -0.04 1.41 1.60 1lf6A1 GLY 356 H 0.10 0.46 -0.28 -0.55 8.43 8.16 1lf6A1 GLY 356 HA2 0.02 0.04 0.36 -0.51 4.01 3.92 1lf6A1 GLY 356 HA3 0.01 0.12 0.83 -0.51 4.01 4.47 1lf6A1 ASP 357 H 0.16 0.39 -0.10 -0.55 8.40 8.31 1lf6A1 ASP 357 HA 0.08 0.14 0.70 -0.75 4.63 4.80 1lf6A1 ASP 357 HB2 0.23 0.12 0.01 -0.04 2.71 3.04 1lf6A1 ASP 357 HB3 0.38 -0.01 0.19 -0.04 2.70 3.22 1lf6A1 VAL 358 H 0.03 0.49 -0.13 -0.55 8.24 8.09 1lf6A1 VAL 358 HA 0.03 0.07 0.31 -0.75 4.13 3.79 1lf6A1 VAL 358 HB 0.01 0.00 0.08 -0.04 2.12 2.17 1lf6A1 VAL 358 HG13 -0.00 0.00 -0.05 -0.04 0.97 0.88 1lf6A1 VAL 358 HG23 0.01 0.06 -0.00 -0.04 0.95 0.98 1lf6A1 ASP 359 H 0.01 0.17 -0.14 -0.55 8.40 7.89 1lf6A1 ASP 359 HA -0.01 0.07 0.34 -0.75 4.63 4.29 1lf6A1 ASP 359 HB2 0.00 0.00 0.04 -0.04 2.71 2.71 1lf6A1 ASP 359 HB3 0.00 0.03 -0.06 -0.04 2.70 2.64 1lf6A1 SER 360 H -0.13 0.19 -0.31 -0.55 8.46 7.67 1lf6A1 SER 360 HA -0.13 0.05 0.40 -0.75 4.49 4.05 1lf6A1 SER 360 HB2 -1.07 0.15 0.06 -0.04 3.95 3.05 1lf6A1 SER 360 HB3 -1.46 0.01 -0.05 -0.04 3.93 2.39 1lf6A1 ALA 361 H -0.08 0.34 -0.24 -0.55 8.40 7.87 1lf6A1 ALA 361 HA 0.06 0.01 0.46 -0.75 4.34 4.12 1lf6A1 ALA 361 HB3 0.07 0.05 0.08 -0.04 1.41 1.57 1lf6A1 ASN 362 H 0.00 0.58 -0.11 -0.55 8.53 8.46 1lf6A1 ASN 362 HA 0.03 0.02 0.42 -0.75 4.76 4.47 1lf6A1 ASN 362 HB2 0.00 0.10 0.14 -0.04 2.88 3.08 1lf6A1 ASN 362 HB3 0.01 -0.03 -0.06 -0.04 2.79 2.67 1lf6A1 ASN 362 HD21 -0.02 0.05 -0.02 -0.04 7.03 7.00 1lf6A1 ASN 362 HD22 -0.01 -0.01 -0.13 -0.04 7.74 7.55 1lf6A1 ARG 363 H 0.03 0.53 -0.20 -0.55 8.46 8.27 1lf6A1 ARG 363 HA 0.05 0.03 0.40 -0.75 4.34 4.07 1lf6A1 ARG 363 HB2 0.04 0.17 0.12 -0.04 1.90 2.18 1lf6A1 ARG 363 HB3 0.10 0.01 -0.03 -0.04 1.80 1.85 1lf6A1 ARG 363 HG2 0.03 -0.00 -0.27 -0.04 1.67 1.39 1lf6A1 ARG 363 HG3 0.01 0.00 -0.05 -0.04 1.67 1.59 1lf6A1 ARG 363 HD2 0.04 -0.08 -0.09 -0.04 3.22 3.05 1lf6A1 ARG 363 HD3 -0.05 0.01 -0.08 -0.04 3.22 3.05 1lf6A1 SER 364 H 0.13 0.46 -0.24 -0.55 8.46 8.26 1lf6A1 SER 364 HA 0.22 0.13 0.58 -0.75 4.49 4.66 1lf6A1 SER 364 HB2 0.24 -0.03 0.12 -0.04 3.95 4.24 1lf6A1 SER 364 HB3 0.26 0.05 0.15 -0.04 3.93 4.34 1lf6A1 LEU 365 H 0.10 0.46 -0.20 -0.55 8.37 8.18 1lf6A1 LEU 365 HA 0.10 0.00 0.43 -0.75 4.35 4.13 1lf6A1 LEU 365 HB2 0.07 0.04 0.05 -0.04 1.64 1.77 1lf6A1 LEU 365 HB3 0.06 0.12 0.14 -0.04 1.64 1.91 1lf6A1 LEU 365 HG 0.05 -0.04 -0.19 -0.04 1.64 1.42 1lf6A1 LEU 365 HD13 0.07 -0.02 0.01 -0.04 0.93 0.96 1lf6A1 LEU 365 HD23 0.04 -0.00 -0.10 -0.04 0.89 0.79 1lf6A1 ASP 366 H 0.08 0.69 -0.10 -0.55 8.40 8.52 1lf6A1 ASP 366 HA 0.04 -0.03 0.40 -0.75 4.63 4.28 1lf6A1 ASP 366 HB2 0.06 0.12 0.14 -0.04 2.71 2.98 1lf6A1 ASP 366 HB3 0.03 -0.03 -0.00 -0.04 2.70 2.66 1lf6A1 TYR 367 H 0.20 0.39 -0.46 -0.55 8.29 7.86 1lf6A1 TYR 367 HA 0.01 0.06 0.43 -0.75 4.56 4.31 1lf6A1 TYR 367 HB2 0.03 0.10 0.09 -0.04 3.06 3.24 1lf6A1 TYR 367 HB3 0.06 0.21 0.14 -0.04 2.98 3.35 1lf6A1 TYR 367 HD2 0.02 0.06 -0.18 -0.04 7.15 7.01 1lf6A1 TYR 367 HE2 0.01 0.07 -0.15 -0.04 6.85 6.73 1lf6A1 LEU 368 H 0.17 0.47 -0.14 -0.55 8.37 8.32 1lf6A1 LEU 368 HA -0.06 0.01 0.39 -0.75 4.35 3.93 1lf6A1 LEU 368 HB2 0.07 0.19 0.17 -0.04 1.64 2.03 1lf6A1 LEU 368 HB3 0.04 -0.07 0.01 -0.04 1.64 1.58 1lf6A1 LEU 368 HG 0.22 0.22 0.08 -0.04 1.64 2.13 1lf6A1 LEU 368 HD13 0.10 -0.03 -0.02 -0.04 0.93 0.94 1lf6A1 LEU 368 HD23 0.14 -0.03 -0.03 -0.04 0.89 0.93 1lf6A1 ALA 369 H 0.01 0.48 -0.25 -0.55 8.40 8.09 1lf6A1 ALA 369 HA -0.02 0.02 0.37 -0.75 4.34 3.96 1lf6A1 ALA 369 HB3 0.00 0.03 0.03 -0.04 1.41 1.43 1lf6A1 LYS 370 H -0.09 0.43 -0.38 -0.55 8.42 7.83 1lf6A1 LYS 370 HA -0.07 -0.01 0.43 -0.75 4.32 3.91 1lf6A1 LYS 370 HB2 -0.10 0.13 0.19 -0.04 1.87 2.06 1lf6A1 LYS 370 HB3 -0.25 0.13 0.10 -0.04 1.79 1.73 1lf6A1 LYS 370 HG2 -0.05 -0.06 0.05 -0.04 1.46 1.36 1lf6A1 LYS 370 HG3 -0.07 -0.01 0.02 -0.04 1.46 1.37 1lf6A1 LYS 370 HD2 -0.12 0.06 -0.13 -0.04 1.69 1.46 1lf6A1 LYS 370 HD3 -0.08 -0.07 0.08 -0.04 1.68 1.57 1lf6A1 LYS 370 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 1lf6A1 LYS 370 HE3 -0.04 -0.04 0.01 -0.04 2.99 2.88 1lf6A1 VAL 371 H -0.23 0.34 -0.19 -0.55 8.24 7.61 1lf6A1 VAL 371 HA -0.15 0.07 0.44 -0.75 4.13 3.74 1lf6A1 VAL 371 HB -0.13 0.10 0.19 -0.04 2.12 2.23 1lf6A1 VAL 371 HG13 -0.07 0.01 -0.06 -0.04 0.97 0.81 1lf6A1 VAL 371 HG23 -0.37 0.05 0.01 -0.04 0.95 0.59 1lf6A1 VAL 372 H -0.08 0.55 -0.11 -0.55 8.24 8.04 1lf6A1 VAL 372 HA -0.08 -0.03 0.41 -0.75 4.13 3.67 1lf6A1 VAL 372 HB -0.05 0.16 0.16 -0.04 2.12 2.36 1lf6A1 VAL 372 HG13 -0.06 -0.02 -0.10 -0.04 0.97 0.75 1lf6A1 VAL 372 HG23 -0.04 0.02 -0.05 -0.04 0.95 0.84 1lf6A1 LYS 373 H -0.06 0.43 -0.27 -0.55 8.42 7.97 1lf6A1 LYS 373 HA -0.04 0.03 0.44 -0.75 4.32 3.99 1lf6A1 LYS 373 HB2 -0.04 0.04 0.15 -0.04 1.87 1.98 1lf6A1 LYS 373 HB3 -0.05 0.13 0.17 -0.04 1.79 2.00 1lf6A1 LYS 373 HG2 -0.03 0.01 -0.12 -0.04 1.46 1.27 1lf6A1 LYS 373 HG3 -0.03 -0.06 0.06 -0.04 1.46 1.40 1lf6A1 LYS 373 HD2 -0.03 -0.04 0.00 -0.04 1.69 1.58 1lf6A1 LYS 373 HD3 -0.03 0.03 -0.01 -0.04 1.68 1.63 1lf6A1 LYS 373 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.90 1lf6A1 LYS 373 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 1lf6A1 ASP 374 H -0.07 0.43 -0.19 -0.55 8.40 8.03 1lf6A1 ASP 374 HA -0.04 0.10 0.70 -0.75 4.63 4.63 1lf6A1 ASP 374 HB2 -0.05 0.10 0.09 -0.04 2.71 2.80 1lf6A1 ASP 374 HB3 -0.04 -0.09 0.11 -0.04 2.70 2.65 1lf6A1 ASN 375 H -0.07 0.23 -0.11 -0.55 8.53 8.04 1lf6A1 ASN 375 HA -0.06 0.17 1.04 -0.75 4.76 5.16 1lf6A1 ASN 375 HB2 -0.08 0.22 0.14 -0.04 2.88 3.12 1lf6A1 ASN 375 HB3 -0.09 -0.11 0.02 -0.04 2.79 2.57 1lf6A1 ASN 375 HD21 -0.03 -0.00 0.03 -0.04 7.03 6.98 1lf6A1 ASN 375 HD22 -0.06 0.23 0.11 -0.04 7.74 7.97 1lf6A1 GLY 376 H -0.09 0.67 0.21 -0.55 8.43 8.68 1lf6A1 GLY 376 HA2 -0.09 0.07 0.36 -0.51 4.01 3.84 1lf6A1 GLY 376 HA3 -0.12 0.03 0.49 -0.51 4.01 3.91 1lf6A1 MET 377 H -0.15 0.25 -0.19 -0.55 8.47 7.83 1lf6A1 MET 377 HA -0.21 0.02 0.29 -0.75 4.52 3.86 1lf6A1 MET 377 HB2 -1.18 0.02 0.13 -0.04 2.15 1.08 1lf6A1 MET 377 HB3 -0.62 0.09 -0.63 -0.04 2.03 0.83 1lf6A1 MET 377 HG2 -0.19 -0.11 -0.17 -0.04 2.63 2.11 1lf6A1 MET 377 HG3 -0.68 -0.04 -0.15 -0.04 2.56 1.66 1lf6A1 MET 377 HE3 -0.01 -0.01 -0.18 -0.04 2.10 1.86 1lf6A1 ILE 378 H -0.05 0.12 0.03 -0.55 8.25 7.79 1lf6A1 ILE 378 HA -0.04 0.25 0.85 -0.75 4.18 4.48 1lf6A1 ILE 378 HB 0.03 -0.10 -0.04 -0.04 1.89 1.74 1lf6A1 ILE 378 HG12 -0.01 -0.07 -0.09 -0.04 1.49 1.27 1lf6A1 ILE 378 HG13 0.01 0.13 0.04 -0.04 1.21 1.35 1lf6A1 ILE 378 HG23 0.02 0.03 -0.15 -0.04 0.93 0.80 1lf6A1 ILE 378 HD13 -0.01 0.02 -0.07 -0.04 0.88 0.77 1lf6A1 PRO 379 HA 0.03 0.10 0.46 -0.51 4.44 4.51 1lf6A1 PRO 379 HB2 0.03 0.08 0.10 -0.04 2.28 2.44 1lf6A1 PRO 379 HB3 0.01 0.06 0.06 -0.04 2.02 2.11 1lf6A1 PRO 379 HG2 -0.02 -0.05 -0.15 -0.04 2.03 1.77 1lf6A1 PRO 379 HG3 -0.01 0.09 0.01 -0.04 2.03 2.08 1lf6A1 PRO 379 HD2 -0.03 0.05 0.17 -0.04 3.68 3.82 1lf6A1 PRO 379 HD3 -0.05 0.29 0.03 -0.04 3.65 3.88 1lf6A1 GLN 380 H 0.08 0.24 0.12 -0.55 8.47 8.36 1lf6A1 GLN 380 HA 0.12 -0.06 0.31 -0.75 4.36 3.97 1lf6A1 GLN 380 HB2 0.15 -0.01 0.07 -0.04 2.15 2.31 1lf6A1 GLN 380 HB3 0.22 0.00 -0.06 -0.04 2.02 2.14 1lf6A1 GLN 380 HG2 0.31 0.02 -0.22 -0.04 2.40 2.46 1lf6A1 GLN 380 HG3 0.27 -0.03 -0.03 -0.04 2.39 2.56 1lf6A1 GLN 380 HE21 0.28 0.08 -0.01 -0.04 6.97 7.28 1lf6A1 GLN 380 HE22 0.47 0.01 -0.05 -0.04 7.69 8.08 1lf6A1 ASN 381 H -0.04 0.31 -0.11 -0.55 8.53 8.14 1lf6A1 ASN 381 HA -0.36 0.20 0.57 -0.75 4.76 4.42 1lf6A1 ASN 381 HB2 -1.32 0.03 0.01 -0.04 2.88 1.56 1lf6A1 ASN 381 HB3 -1.75 0.03 -0.04 -0.04 2.79 1.00 1lf6A1 ASN 381 HD21 -0.30 -0.03 -0.05 -0.04 7.03 6.61 1lf6A1 ASN 381 HD22 -0.83 0.04 -0.11 -0.04 7.74 6.80 1lf6A1 THR 382 H -0.35 0.50 0.31 -0.55 8.28 8.19 1lf6A1 THR 382 HA -0.10 0.09 0.94 -0.75 4.39 4.57 1lf6A1 THR 382 HB 0.09 0.05 -0.33 -0.04 4.32 4.09 1lf6A1 THR 382 HG23 -0.01 -0.01 -0.34 -0.04 1.22 0.82 1lf6A1 TRP 383 H 0.27 0.66 0.17 -0.55 7.97 8.52 1lf6A1 TRP 383 HA -0.14 0.13 0.56 -0.75 4.62 4.42 1lf6A1 TRP 383 HB2 -0.01 -0.12 0.08 -0.04 3.23 3.14 1lf6A1 TRP 383 HB3 -0.04 -0.05 0.14 -0.04 3.23 3.24 1lf6A1 TRP 383 HD1 0.03 0.24 -0.18 -0.04 7.22 7.26 1lf6A1 TRP 383 HE1 0.10 0.12 -0.05 -0.04 10.20 10.33 1lf6A1 TRP 383 HE3 -0.08 -0.04 0.03 -0.04 7.59 7.46 1lf6A1 TRP 383 HZ2 0.16 0.02 -0.04 -0.04 7.44 7.54 1lf6A1 TRP 383 HZ3 -0.07 0.04 -0.05 -0.04 7.13 7.01 1lf6A1 TRP 383 HH2 0.06 0.01 -0.07 -0.04 7.19 7.16 1lf6A1 ILE 384 H 0.17 0.21 0.16 -0.55 8.25 8.24 1lf6A1 ILE 384 HA 0.03 0.14 0.29 -0.75 4.18 3.89 1lf6A1 ILE 384 HB -0.04 0.02 0.07 -0.04 1.89 1.90 1lf6A1 ILE 384 HG12 0.10 0.00 0.12 -0.04 1.49 1.66 1lf6A1 ILE 384 HG13 0.05 0.03 -0.09 -0.04 1.21 1.16 1lf6A1 ILE 384 HG23 -0.09 0.04 -0.06 -0.04 0.93 0.78 1lf6A1 ILE 384 HD13 -0.05 -0.01 -0.02 -0.04 0.88 0.76 1lf6A1 SER 385 H 0.18 -0.01 -0.39 -0.55 8.46 7.70 1lf6A1 SER 385 HA 0.09 0.08 0.36 -0.75 4.49 4.27 1lf6A1 SER 385 HB2 0.01 0.08 0.05 -0.04 3.95 4.05 1lf6A1 SER 385 HB3 0.01 -0.03 0.05 -0.04 3.93 3.92 1lf6A1 GLY 386 H 0.22 0.46 -0.50 -0.55 8.43 8.06 1lf6A1 GLY 386 HA2 0.06 0.03 0.17 -0.51 4.01 3.76 1lf6A1 GLY 386 HA3 -0.04 0.20 0.70 -0.51 4.01 4.37 1lf6A1 LYS 387 H 0.15 -0.11 -0.22 -0.55 8.42 7.69 1lf6A1 LYS 387 HA 0.07 0.21 0.48 -0.75 4.32 4.33 1lf6A1 LYS 387 HB2 0.04 0.01 0.02 -0.04 1.87 1.89 1lf6A1 LYS 387 HB3 0.17 -0.17 0.06 -0.04 1.79 1.80 1lf6A1 LYS 387 HG2 0.25 0.22 -0.18 -0.04 1.46 1.71 1lf6A1 LYS 387 HG3 0.08 0.07 0.07 -0.04 1.46 1.64 1lf6A1 LYS 387 HD2 0.01 0.03 0.00 -0.04 1.69 1.69 1lf6A1 LYS 387 HD3 -0.04 -0.02 -0.00 -0.04 1.68 1.58 1lf6A1 LYS 387 HE2 -0.32 -0.11 -0.02 -0.04 2.99 2.50 1lf6A1 LYS 387 HE3 -0.20 0.04 -0.03 -0.04 2.99 2.75 1lf6A1 PRO 388 HA 0.06 0.09 0.61 -0.51 4.44 4.69 1lf6A1 PRO 388 HB2 0.07 0.05 -0.04 -0.04 2.28 2.32 1lf6A1 PRO 388 HB3 0.03 0.04 0.11 -0.04 2.02 2.17 1lf6A1 PRO 388 HG2 0.08 -0.01 0.10 -0.04 2.03 2.16 1lf6A1 PRO 388 HG3 0.03 0.08 0.08 -0.04 2.03 2.18 1lf6A1 PRO 388 HD2 0.06 0.02 0.24 -0.04 3.68 3.97 1lf6A1 PRO 388 HD3 0.03 0.25 0.21 -0.04 3.65 4.10 1lf6A1 TYR 389 H 0.04 0.55 0.29 -0.55 8.29 8.62 1lf6A1 TYR 389 HA 0.02 0.16 0.79 -0.75 4.56 4.78 1lf6A1 TYR 389 HB2 -0.95 -0.03 -0.12 -0.04 3.06 1.91 1lf6A1 TYR 389 HB3 -0.55 -0.12 0.01 -0.04 2.98 2.28 1lf6A1 TYR 389 HD2 -1.20 -0.08 -0.03 -0.04 7.15 5.79 1lf6A1 TYR 389 HE2 -1.62 -0.01 -0.06 -0.04 6.85 5.12 1lf6A1 TRP 390 H 0.29 0.04 0.11 -0.55 7.97 7.86 1lf6A1 TRP 390 HA -0.11 0.15 0.55 -0.75 4.62 4.46 1lf6A1 TRP 390 HB2 0.07 -0.02 0.10 -0.04 3.23 3.34 1lf6A1 TRP 390 HB3 0.05 -0.12 0.05 -0.04 3.23 3.16 1lf6A1 TRP 390 HD1 0.19 -0.01 -0.01 -0.04 7.22 7.35 1lf6A1 TRP 390 HE1 0.19 0.01 -0.01 -0.04 10.20 10.36 1lf6A1 TRP 390 HE3 -0.29 0.15 -0.13 -0.04 7.59 7.28 1lf6A1 TRP 390 HZ2 0.13 0.00 -0.01 -0.04 7.44 7.52 1lf6A1 TRP 390 HZ3 -0.24 0.05 -0.05 -0.04 7.13 6.85 1lf6A1 TRP 390 HH2 -0.01 0.02 -0.02 -0.04 7.19 7.14 1lf6A1 THR 391 H 0.06 0.14 0.13 -0.55 8.28 8.06 1lf6A1 THR 391 HA 0.09 0.24 1.00 -0.75 4.39 4.96 1lf6A1 THR 391 HB 0.06 0.09 -0.05 -0.04 4.32 4.38 1lf6A1 THR 391 HG23 -0.05 -0.01 -0.02 -0.04 1.22 1.10 1lf6A1 GLY 392 H 0.10 -0.01 -0.11 -0.55 8.43 7.86 1lf6A1 GLY 392 HA2 -0.00 0.13 0.48 -0.51 4.01 4.11 1lf6A1 GLY 392 HA3 0.04 0.01 0.23 -0.51 4.01 3.78 1lf6A1 ILE 393 H 0.02 0.15 0.08 -0.55 8.25 7.95 1lf6A1 ILE 393 HA 0.08 0.27 0.87 -0.75 4.18 4.66 1lf6A1 ILE 393 HB 0.01 -0.11 0.23 -0.04 1.89 1.98 1lf6A1 ILE 393 HG12 0.04 0.01 -0.05 -0.04 1.49 1.45 1lf6A1 ILE 393 HG13 0.06 0.05 -0.01 -0.04 1.21 1.27 1lf6A1 ILE 393 HG23 0.05 0.00 -0.13 -0.04 0.93 0.80 1lf6A1 ILE 393 HD13 0.15 0.05 -0.16 -0.04 0.88 0.87 1lf6A1 GLN 394 H 0.07 0.38 0.01 -0.55 8.47 8.39 1lf6A1 GLN 394 HA -0.00 0.23 1.00 -0.75 4.36 4.83 1lf6A1 GLN 394 HB2 0.07 0.11 0.09 -0.04 2.15 2.39 1lf6A1 GLN 394 HB3 0.02 -0.19 -0.01 -0.04 2.02 1.79 1lf6A1 GLN 394 HG2 0.03 0.18 -0.20 -0.04 2.40 2.37 1lf6A1 GLN 394 HG3 0.07 -0.07 -0.37 -0.04 2.39 1.98 1lf6A1 GLN 394 HE21 0.31 0.04 -0.07 -0.04 6.97 7.21 1lf6A1 GLN 394 HE22 0.16 -0.04 -0.14 -0.04 7.69 7.63 1lf6A1 LEU 395 H -0.04 0.23 0.16 -0.55 8.37 8.16 1lf6A1 LEU 395 HA 0.00 0.17 0.39 -0.75 4.35 4.15 1lf6A1 LEU 395 HB2 -0.08 -0.06 0.09 -0.04 1.64 1.55 1lf6A1 LEU 395 HB3 -0.04 0.04 -0.06 -0.04 1.64 1.54 1lf6A1 LEU 395 HG -0.14 0.22 -0.14 -0.04 1.64 1.54 1lf6A1 LEU 395 HD13 -0.07 0.01 -0.00 -0.04 0.93 0.83 1lf6A1 LEU 395 HD23 -0.10 -0.04 -0.04 -0.04 0.89 0.68 1lf6A1 ASP 396 H -0.05 0.08 -0.10 -0.55 8.40 7.79 1lf6A1 ASP 396 HA -0.07 0.12 0.39 -0.75 4.63 4.32 1lf6A1 ASP 396 HB2 -0.10 0.06 0.06 -0.04 2.71 2.69 1lf6A1 ASP 396 HB3 -0.08 -0.04 0.12 -0.04 2.70 2.65 1lf6A1 GLU 397 H -0.01 0.19 -0.47 -0.55 8.60 7.76 1lf6A1 GLU 397 HA -0.06 -0.00 0.40 -0.75 4.29 3.88 1lf6A1 GLU 397 HB2 0.05 0.24 0.07 -0.04 2.09 2.40 1lf6A1 GLU 397 HB3 0.04 0.07 0.03 -0.04 1.99 2.09 1lf6A1 GLU 397 HG2 0.02 -0.15 -0.01 -0.04 2.34 2.16 1lf6A1 GLU 397 HG3 0.05 -0.06 -0.02 -0.04 2.34 2.26 1lf6A1 GLN 398 H 0.02 0.32 -0.32 -0.55 8.47 7.93 1lf6A1 GLN 398 HA 0.05 0.09 0.59 -0.75 4.36 4.33 1lf6A1 GLN 398 HB2 0.07 0.08 0.07 -0.04 2.15 2.32 1lf6A1 GLN 398 HB3 0.17 0.03 0.09 -0.04 2.02 2.26 1lf6A1 GLN 398 HG2 0.10 0.02 0.06 -0.04 2.40 2.54 1lf6A1 GLN 398 HG3 0.25 0.01 -0.04 -0.04 2.39 2.57 1lf6A1 GLN 398 HE21 0.11 0.73 0.10 -0.04 6.97 7.86 1lf6A1 GLN 398 HE22 0.13 0.00 -0.05 -0.04 7.69 7.73 1lf6A1 ALA 399 H -0.04 0.24 -0.20 -0.55 8.40 7.86 1lf6A1 ALA 399 HA -0.04 0.11 0.56 -0.75 4.34 4.21 1lf6A1 ALA 399 HB3 -0.06 0.01 -0.00 -0.04 1.41 1.32 1lf6A1 ASP 400 H -0.20 0.46 0.00 -0.55 8.40 8.12 1lf6A1 ASP 400 HA -0.56 -0.00 0.35 -0.75 4.63 3.67 1lf6A1 ASP 400 HB2 -0.29 0.06 0.00 -0.04 2.71 2.45 1lf6A1 ASP 400 HB3 -0.79 -0.01 -0.04 -0.04 2.70 1.81 1lf6A1 PRO 401 HA 0.06 0.04 0.43 -0.51 4.44 4.46 1lf6A1 PRO 401 HB2 0.02 0.04 -0.11 -0.04 2.28 2.20 1lf6A1 PRO 401 HB3 0.03 0.01 0.03 -0.04 2.02 2.06 1lf6A1 PRO 401 HG2 -0.01 0.19 -0.12 -0.04 2.03 2.05 1lf6A1 PRO 401 HG3 -0.00 0.09 -0.00 -0.04 2.03 2.08 1lf6A1 PRO 401 HD2 -0.08 -0.02 -0.56 -0.04 3.68 2.98 1lf6A1 PRO 401 HD3 -0.04 0.07 -0.03 -0.04 3.65 3.60 1lf6A1 ILE 402 H -0.02 0.39 -0.42 -0.55 8.25 7.65 1lf6A1 ILE 402 HA 0.06 0.02 0.38 -0.75 4.18 3.88 1lf6A1 ILE 402 HB -0.02 0.15 0.17 -0.04 1.89 2.14 1lf6A1 ILE 402 HG12 -0.01 -0.07 -0.00 -0.04 1.49 1.37 1lf6A1 ILE 402 HG13 -0.02 0.12 0.05 -0.04 1.21 1.31 1lf6A1 ILE 402 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 1lf6A1 ILE 402 HD13 -0.08 -0.04 -0.09 -0.04 0.88 0.64 1lf6A1 ILE 403 H -0.02 0.46 -0.04 -0.55 8.25 8.10 1lf6A1 ILE 403 HA 0.11 0.01 0.39 -0.75 4.18 3.94 1lf6A1 ILE 403 HB -0.03 0.09 0.11 -0.04 1.89 2.02 1lf6A1 ILE 403 HG12 -0.01 0.00 -0.20 -0.04 1.49 1.24 1lf6A1 ILE 403 HG13 -0.07 0.17 -0.02 -0.04 1.21 1.25 1lf6A1 ILE 403 HG23 0.19 -0.01 -0.05 -0.04 0.93 1.03 1lf6A1 ILE 403 HD13 -0.13 -0.00 -0.06 -0.04 0.88 0.65 1lf6A1 LEU 404 H 0.14 0.55 -0.23 -0.55 8.37 8.28 1lf6A1 LEU 404 HA 0.17 0.04 0.40 -0.75 4.35 4.21 1lf6A1 LEU 404 HB2 0.31 0.02 0.06 -0.04 1.64 1.99 1lf6A1 LEU 404 HB3 0.14 0.11 0.08 -0.04 1.64 1.93 1lf6A1 LEU 404 HG 0.08 -0.03 -0.19 -0.04 1.64 1.46 1lf6A1 LEU 404 HD13 0.05 -0.01 -0.04 -0.04 0.93 0.89 1lf6A1 LEU 404 HD23 0.12 0.01 -0.06 -0.04 0.89 0.91 1lf6A1 SER 405 H 0.11 0.51 -0.24 -0.55 8.46 8.29 1lf6A1 SER 405 HA 0.06 -0.02 0.36 -0.75 4.49 4.13 1lf6A1 SER 405 HB2 0.14 0.18 0.13 -0.04 3.95 4.35 1lf6A1 SER 405 HB3 0.13 -0.04 -0.05 -0.04 3.93 3.93 1lf6A1 TYR 406 H 0.24 0.44 -0.39 -0.55 8.29 8.03 1lf6A1 TYR 406 HA 0.19 -0.00 0.39 -0.75 4.56 4.39 1lf6A1 TYR 406 HB2 0.11 -0.01 0.07 -0.04 3.06 3.19 1lf6A1 TYR 406 HB3 0.06 0.20 0.18 -0.04 2.98 3.38 1lf6A1 TYR 406 HD2 -0.00 0.05 -0.01 -0.04 7.15 7.15 1lf6A1 TYR 406 HE2 -0.76 -0.05 -0.01 -0.04 6.85 5.99 1lf6A1 ARG 407 H 0.11 0.48 -0.03 -0.55 8.46 8.47 1lf6A1 ARG 407 HA -0.34 0.03 0.46 -0.75 4.34 3.73 1lf6A1 ARG 407 HB2 0.04 0.04 0.11 -0.04 1.90 2.05 1lf6A1 ARG 407 HB3 -0.02 0.00 0.02 -0.04 1.80 1.76 1lf6A1 ARG 407 HG2 0.13 -0.09 0.00 -0.04 1.67 1.67 1lf6A1 ARG 407 HG3 0.23 0.15 0.05 -0.04 1.67 2.06 1lf6A1 ARG 407 HD2 0.12 0.05 -0.17 -0.04 3.22 3.18 1lf6A1 ARG 407 HD3 0.06 -0.03 -0.05 -0.04 3.22 3.16 1lf6A1 LEU 408 H -0.04 0.51 -0.29 -0.55 8.37 7.99 1lf6A1 LEU 408 HA -0.07 0.12 0.60 -0.75 4.35 4.24 1lf6A1 LEU 408 HB2 -0.02 0.07 0.04 -0.04 1.64 1.68 1lf6A1 LEU 408 HB3 -0.04 -0.07 0.07 -0.04 1.64 1.56 1lf6A1 LEU 408 HG 0.01 0.02 -0.09 -0.04 1.64 1.54 1lf6A1 LEU 408 HD13 0.03 -0.04 -0.21 -0.04 0.93 0.67 1lf6A1 LEU 408 HD23 -0.01 0.00 -0.03 -0.04 0.89 0.81 1lf6A1 LYS 409 H -0.22 0.33 -0.71 -0.55 8.42 7.26 1lf6A1 LYS 409 HA -0.59 0.05 0.31 -0.75 4.32 3.33 1lf6A1 LYS 409 HB2 -0.23 0.13 -0.12 -0.04 1.87 1.61 1lf6A1 LYS 409 HB3 -0.48 -0.11 0.22 -0.04 1.79 1.38 1lf6A1 LYS 409 HG2 -0.12 0.00 0.05 -0.04 1.46 1.35 1lf6A1 LYS 409 HG3 -0.20 0.13 -0.18 -0.04 1.46 1.17 1lf6A1 LYS 409 HD2 -0.07 0.00 -0.04 -0.04 1.69 1.54 1lf6A1 LYS 409 HD3 0.00 -0.06 0.02 -0.04 1.68 1.60 1lf6A1 LYS 409 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.93 1lf6A1 LYS 409 HE3 -0.08 0.06 0.00 -0.04 2.99 2.93 1lf6A1 ARG 410 H -0.17 0.58 -0.22 -0.55 8.46 8.10 1lf6A1 ARG 410 HA -0.15 0.13 0.67 -0.75 4.34 4.24 1lf6A1 ARG 410 HB2 -0.01 0.02 0.17 -0.04 1.90 2.04 1lf6A1 ARG 410 HB3 -0.00 -0.12 0.12 -0.04 1.80 1.76 1lf6A1 ARG 410 HG2 -0.07 0.16 -0.20 -0.04 1.67 1.52 1lf6A1 ARG 410 HG3 -0.01 -0.04 -0.02 -0.04 1.67 1.56 1lf6A1 ARG 410 HD2 -0.07 0.08 -0.05 -0.04 3.22 3.14 1lf6A1 ARG 410 HD3 -0.03 0.01 -0.03 -0.04 3.22 3.13 1lf6A1 TYR 411 H -0.40 0.51 -0.16 -0.55 8.29 7.69 1lf6A1 TYR 411 HA 0.10 0.06 0.36 -0.75 4.56 4.33 1lf6A1 TYR 411 HB2 0.02 0.05 -0.01 -0.04 3.06 3.08 1lf6A1 TYR 411 HB3 0.01 0.02 0.08 -0.04 2.98 3.05 1lf6A1 TYR 411 HD2 0.08 -0.02 -0.08 -0.04 7.15 7.09 1lf6A1 TYR 411 HE2 0.18 0.01 -0.00 -0.04 6.85 7.00 1lf6A1 ASP 412 H 0.06 0.11 -0.47 -0.55 8.40 7.56 1lf6A1 ASP 412 HA 0.10 0.13 0.49 -0.75 4.63 4.60 1lf6A1 ASP 412 HB2 0.04 0.03 0.08 -0.04 2.71 2.82 1lf6A1 ASP 412 HB3 0.05 0.04 0.06 -0.04 2.70 2.80 1lf6A1 LEU 413 H 0.11 0.45 -0.39 -0.55 8.37 7.99 1lf6A1 LEU 413 HA 0.06 0.17 0.71 -0.75 4.35 4.53 1lf6A1 LEU 413 HB2 0.08 0.16 0.06 -0.04 1.64 1.90 1lf6A1 LEU 413 HB3 0.05 -0.07 0.12 -0.04 1.64 1.70 1lf6A1 LEU 413 HG 0.04 -0.05 -0.09 -0.04 1.64 1.49 1lf6A1 LEU 413 HD13 0.04 0.02 -0.06 -0.04 0.93 0.88 1lf6A1 LEU 413 HD23 0.03 0.02 -0.11 -0.04 0.89 0.79 1lf6A1 TYR 414 H 0.24 0.40 -0.45 -0.55 8.29 7.92 1lf6A1 TYR 414 HA 0.07 -0.05 0.36 -0.75 4.56 4.19 1lf6A1 TYR 414 HB2 0.08 0.13 0.08 -0.04 3.06 3.32 1lf6A1 TYR 414 HB3 0.05 0.04 0.09 -0.04 2.98 3.11 1lf6A1 TYR 414 HD2 0.05 -0.00 -0.09 -0.04 7.15 7.07 1lf6A1 TYR 414 HE2 0.10 0.05 -0.05 -0.04 6.85 6.91 1lf6A1 ASP 415 H 0.11 0.19 -0.13 -0.55 8.40 8.02 1lf6A1 ASP 415 HA -0.20 0.08 0.45 -0.75 4.63 4.21 1lf6A1 ASP 415 HB2 0.03 0.01 0.06 -0.04 2.71 2.77 1lf6A1 ASP 415 HB3 -0.01 0.06 -0.03 -0.04 2.70 2.68 1lf6A1 SER 416 H -0.00 0.04 -0.22 -0.55 8.46 7.73 1lf6A1 SER 416 HA -0.04 0.22 0.65 -0.75 4.49 4.57 1lf6A1 SER 416 HB2 -0.02 0.07 0.06 -0.04 3.95 4.02 1lf6A1 SER 416 HB3 -0.01 -0.03 0.02 -0.04 3.93 3.88 1lf6A1 LEU 417 H -0.03 0.39 -0.16 -0.55 8.37 8.03 1lf6A1 LEU 417 HA -0.03 0.24 0.98 -0.75 4.35 4.79 1lf6A1 LEU 417 HB2 0.00 -0.04 -0.11 -0.04 1.64 1.46 1lf6A1 LEU 417 HB3 0.03 0.02 0.11 -0.04 1.64 1.76 1lf6A1 LEU 417 HG 0.03 -0.01 -0.12 -0.04 1.64 1.50 1lf6A1 LEU 417 HD13 0.02 -0.04 -0.49 -0.04 0.93 0.38 1lf6A1 LEU 417 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 1lf6A1 VAL 418 H 0.00 0.31 0.11 -0.55 8.24 8.11 1lf6A1 VAL 418 HA -0.01 0.03 0.37 -0.75 4.13 3.77 1lf6A1 VAL 418 HB 0.09 -0.00 0.19 -0.04 2.12 2.36 1lf6A1 VAL 418 HG13 0.15 0.00 -0.10 -0.04 0.97 0.98 1lf6A1 VAL 418 HG23 0.15 0.01 -0.08 -0.04 0.95 0.99 1lf6A1 LYS 419 H -0.39 0.76 0.13 -0.55 8.42 8.37 1lf6A1 LYS 419 HA -0.07 -0.04 0.38 -0.75 4.32 3.83 1lf6A1 LYS 419 HB2 -0.87 -0.07 0.06 -0.04 1.87 0.95 1lf6A1 LYS 419 HB3 -0.32 0.19 0.13 -0.04 1.79 1.74 1lf6A1 LYS 419 HG2 -0.06 0.06 -0.19 -0.04 1.46 1.24 1lf6A1 LYS 419 HG3 0.05 -0.09 -0.01 -0.04 1.46 1.37 1lf6A1 LYS 419 HD2 -0.00 -0.07 -0.02 -0.04 1.69 1.56 1lf6A1 LYS 419 HD3 -0.15 0.03 -0.02 -0.04 1.68 1.49 1lf6A1 LYS 419 HE2 0.03 -0.03 -0.02 -0.04 2.99 2.93 1lf6A1 LYS 419 HE3 -0.01 0.05 -0.03 -0.04 2.99 2.96 1lf6A1 PRO 420 HA 0.00 0.03 0.43 -0.51 4.44 4.39 1lf6A1 PRO 420 HB2 -0.05 0.09 -0.11 -0.04 2.28 2.17 1lf6A1 PRO 420 HB3 -0.04 0.02 0.03 -0.04 2.02 1.99 1lf6A1 PRO 420 HG2 -0.05 0.17 -0.23 -0.04 2.03 1.87 1lf6A1 PRO 420 HG3 -0.06 0.19 -0.32 -0.04 2.03 1.80 1lf6A1 PRO 420 HD2 -0.13 -0.11 -0.55 -0.04 3.68 2.85 1lf6A1 PRO 420 HD3 -0.11 0.28 -0.05 -0.04 3.65 3.73 1lf6A1 LEU 421 H -0.03 0.49 -0.28 -0.55 8.37 8.00 1lf6A1 LEU 421 HA 0.09 0.04 0.49 -0.75 4.35 4.23 1lf6A1 LEU 421 HB2 -0.02 0.09 0.14 -0.04 1.64 1.80 1lf6A1 LEU 421 HB3 0.02 0.04 0.04 -0.04 1.64 1.70 1lf6A1 LEU 421 HG -0.02 0.14 0.02 -0.04 1.64 1.73 1lf6A1 LEU 421 HD13 -0.00 0.03 -0.05 -0.04 0.93 0.87 1lf6A1 LEU 421 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 1lf6A1 ALA 422 H -0.09 0.72 -0.01 -0.55 8.40 8.47 1lf6A1 ALA 422 HA -0.18 -0.02 0.41 -0.75 4.34 3.79 1lf6A1 ALA 422 HB3 -0.72 -0.00 0.07 -0.04 1.41 0.72 1lf6A1 ASP 423 H 0.03 0.69 -0.12 -0.55 8.40 8.45 1lf6A1 ASP 423 HA 0.14 -0.01 0.40 -0.75 4.63 4.40 1lf6A1 ASP 423 HB2 0.09 0.15 0.11 -0.04 2.71 3.02 1lf6A1 ASP 423 HB3 0.10 -0.04 0.00 -0.04 2.70 2.72 1lf6A1 PHE 424 H 0.19 0.44 -0.30 -0.55 8.34 8.12 1lf6A1 PHE 424 HA 0.03 0.04 0.48 -0.75 4.62 4.41 1lf6A1 PHE 424 HB2 0.00 0.22 0.20 -0.04 3.15 3.53 1lf6A1 PHE 424 HB3 -0.00 0.04 0.23 -0.04 3.06 3.29 1lf6A1 PHE 424 HD2 0.01 -0.01 0.02 -0.04 7.28 7.26 1lf6A1 PHE 424 HE2 0.00 -0.04 -0.06 -0.04 7.38 7.25 1lf6A1 PHE 424 HZ 0.00 -0.04 -0.07 -0.04 7.32 7.17 1lf6A1 ILE 425 H 0.08 0.63 -0.09 -0.55 8.25 8.31 1lf6A1 ILE 425 HA -0.11 -0.04 0.41 -0.75 4.18 3.68 1lf6A1 ILE 425 HB 0.02 0.16 0.15 -0.04 1.89 2.18 1lf6A1 ILE 425 HG12 0.05 -0.13 0.02 -0.04 1.49 1.38 1lf6A1 ILE 425 HG13 0.08 0.23 0.07 -0.04 1.21 1.55 1lf6A1 ILE 425 HG23 0.28 -0.03 -0.13 -0.04 0.93 1.01 1lf6A1 ILE 425 HD13 0.01 -0.04 -0.25 -0.04 0.88 0.56 1lf6A1 ILE 426 H 0.05 0.52 -0.18 -0.55 8.25 8.09 1lf6A1 ILE 426 HA 0.22 0.01 0.38 -0.75 4.18 4.03 1lf6A1 ILE 426 HB 0.08 0.09 0.07 -0.04 1.89 2.09 1lf6A1 ILE 426 HG12 -0.22 -0.06 -0.00 -0.04 1.49 1.16 1lf6A1 ILE 426 HG13 -0.03 0.24 0.07 -0.04 1.21 1.45 1lf6A1 ILE 426 HG23 0.05 -0.02 -0.07 -0.04 0.93 0.85 1lf6A1 ILE 426 HD13 0.16 -0.03 -0.08 -0.04 0.88 0.89 1lf6A1 LYS 427 H 0.02 0.28 -0.52 -0.55 8.42 7.64 1lf6A1 LYS 427 HA 0.05 0.03 0.51 -0.75 4.32 4.15 1lf6A1 LYS 427 HB2 0.03 0.21 0.22 -0.04 1.87 2.29 1lf6A1 LYS 427 HB3 -0.05 -0.02 0.01 -0.04 1.79 1.70 1lf6A1 LYS 427 HG2 0.04 -0.05 0.05 -0.04 1.46 1.46 1lf6A1 LYS 427 HG3 0.05 -0.04 0.03 -0.04 1.46 1.47 1lf6A1 LYS 427 HD2 0.13 -0.00 0.00 -0.04 1.69 1.78 1lf6A1 LYS 427 HD3 0.07 -0.07 -0.00 -0.04 1.68 1.64 1lf6A1 LYS 427 HE2 0.08 -0.04 -0.03 -0.04 2.99 2.96 1lf6A1 LYS 427 HE3 0.13 0.13 -0.13 -0.04 2.99 3.08 1lf6A1 ILE 428 H -0.14 0.22 -0.08 -0.55 8.25 7.69 1lf6A1 ILE 428 HA -0.08 0.24 1.11 -0.75 4.18 4.70 1lf6A1 ILE 428 HB -0.18 -0.08 0.03 -0.04 1.89 1.62 1lf6A1 ILE 428 HG12 -0.65 0.31 0.10 -0.04 1.49 1.21 1lf6A1 ILE 428 HG13 -0.30 0.00 -0.07 -0.04 1.21 0.80 1lf6A1 ILE 428 HG23 -0.17 -0.02 -0.13 -0.04 0.93 0.57 1lf6A1 ILE 428 HD13 -0.58 -0.05 -0.08 -0.04 0.88 0.12 1lf6A1 GLY 429 H 0.04 0.66 0.15 -0.55 8.43 8.73 1lf6A1 GLY 429 HA2 -0.30 0.15 0.33 -0.51 4.01 3.68 1lf6A1 GLY 429 HA3 -0.29 -0.01 0.32 -0.51 4.01 3.52 1lf6A1 PRO 430 HA -1.09 0.01 0.32 -0.51 4.44 3.17 1lf6A1 PRO 430 HB2 -0.60 -0.05 0.01 -0.04 2.28 1.60 1lf6A1 PRO 430 HB3 -2.26 0.03 0.05 -0.04 2.02 -0.20 1lf6A1 PRO 430 HG2 -0.20 0.00 -0.03 -0.04 2.03 1.76 1lf6A1 PRO 430 HG3 -0.73 0.03 0.02 -0.04 2.03 1.31 1lf6A1 PRO 430 HD2 -0.32 0.14 0.38 -0.04 3.68 3.84 1lf6A1 PRO 430 HD3 -1.04 0.10 0.04 -0.04 3.65 2.70 1lf6A1 LYS 431 H -0.27 0.26 -0.09 -0.55 8.42 7.76 1lf6A1 LYS 431 HA -0.53 0.06 0.41 -0.75 4.32 3.51 1lf6A1 LYS 431 HB2 -0.64 -0.00 -0.00 -0.04 1.87 1.18 1lf6A1 LYS 431 HB3 -0.30 0.12 -0.01 -0.04 1.79 1.56 1lf6A1 LYS 431 HG2 -0.34 0.02 -0.12 -0.04 1.46 0.99 1lf6A1 LYS 431 HG3 -0.63 -0.05 0.08 -0.04 1.46 0.82 1lf6A1 LYS 431 HD2 -0.53 -0.03 0.00 -0.04 1.69 1.10 1lf6A1 LYS 431 HD3 -1.02 0.01 -0.09 -0.04 1.68 0.55 1lf6A1 LYS 431 HE2 -0.18 0.03 -0.05 -0.04 2.99 2.75 1lf6A1 LYS 431 HE3 -0.20 -0.02 -0.06 -0.04 2.99 2.68 1lf6A1 THR 432 H -0.30 0.45 0.34 -0.55 8.28 8.23 1lf6A1 THR 432 HA -0.15 0.25 0.95 -0.75 4.39 4.69 1lf6A1 THR 432 HB -0.14 0.05 -0.02 -0.04 4.32 4.17 1lf6A1 THR 432 HG23 -0.13 0.03 -0.12 -0.04 1.22 0.96 1lf6A1 GLY 433 H -0.07 0.29 0.26 -0.55 8.43 8.36 1lf6A1 GLY 433 HA2 -0.07 0.08 0.51 -0.51 4.01 4.02 1lf6A1 GLY 433 HA3 -0.04 -0.02 0.43 -0.51 4.01 3.88 1lf6A1 GLN 434 H -0.04 0.31 0.09 -0.55 8.47 8.28 1lf6A1 GLN 434 HA -0.03 0.49 0.18 -0.75 4.36 4.24 1lf6A1 GLN 434 HB2 0.03 -0.21 -0.12 -0.04 2.15 1.81 1lf6A1 GLN 434 HB3 0.00 0.18 -0.35 -0.04 2.02 1.81 1lf6A1 GLN 434 HG2 0.02 -0.02 -0.36 -0.04 2.40 2.00 1lf6A1 GLN 434 HG3 0.05 0.01 -0.25 -0.04 2.39 2.15 1lf6A1 GLN 434 HE21 0.01 0.05 -0.13 -0.04 6.97 6.85 1lf6A1 GLN 434 HE22 0.01 0.07 -0.34 -0.04 7.69 7.40 1lf6A1 GLU 435 H -0.04 0.31 0.21 -0.55 8.60 8.54 1lf6A1 GLU 435 HA -0.10 0.10 0.66 -0.75 4.29 4.19 1lf6A1 GLU 435 HB2 -0.20 -0.16 0.18 -0.04 2.09 1.87 1lf6A1 GLU 435 HB3 -0.11 0.09 0.09 -0.04 1.99 2.02 1lf6A1 GLU 435 HG2 -0.07 0.13 -0.04 -0.04 2.34 2.32 1lf6A1 GLU 435 HG3 -0.05 0.34 0.09 -0.04 2.34 2.69 1lf6A1 ARG 436 H -0.29 0.14 0.12 -0.55 8.46 7.88 1lf6A1 ARG 436 HA -0.10 0.15 0.27 -0.75 4.34 3.90 1lf6A1 ARG 436 HB2 -0.22 0.06 0.09 -0.04 1.90 1.78 1lf6A1 ARG 436 HB3 -0.24 -0.02 0.09 -0.04 1.80 1.59 1lf6A1 ARG 436 HG2 -0.82 -0.08 0.05 -0.04 1.67 0.78 1lf6A1 ARG 436 HG3 -1.73 0.06 -0.18 -0.04 1.67 -0.23 1lf6A1 ARG 436 HD2 -0.07 0.03 -0.04 -0.04 3.22 3.10 1lf6A1 ARG 436 HD3 -0.24 0.00 -0.02 -0.04 3.22 2.93 1lf6A1 TRP 437 H -0.16 0.03 -0.36 -0.55 7.97 6.93 1lf6A1 TRP 437 HA -0.00 0.18 0.62 -0.75 4.62 4.66 1lf6A1 TRP 437 HB2 0.01 -0.06 -0.03 -0.04 3.23 3.12 1lf6A1 TRP 437 HB3 0.04 0.05 0.08 -0.04 3.23 3.36 1lf6A1 TRP 437 HD1 0.06 0.04 -0.07 -0.04 7.22 7.21 1lf6A1 TRP 437 HE1 0.04 0.14 0.01 -0.04 10.20 10.36 1lf6A1 TRP 437 HE3 -0.05 0.12 -0.08 -0.04 7.59 7.53 1lf6A1 TRP 437 HZ2 -0.27 0.02 -0.01 -0.04 7.44 7.15 1lf6A1 TRP 437 HZ3 -0.13 0.01 -0.06 -0.04 7.13 6.91 1lf6A1 TRP 437 HH2 -0.50 0.00 -0.06 -0.04 7.19 6.59 1lf6A1 GLU 438 H 0.10 0.42 -0.36 -0.55 8.60 8.21 1lf6A1 GLU 438 HA 0.10 0.06 0.17 -0.75 4.29 3.87 1lf6A1 GLU 438 HB2 0.18 0.16 0.09 -0.04 2.09 2.48 1lf6A1 GLU 438 HB3 0.21 -0.04 0.09 -0.04 1.99 2.21 1lf6A1 GLU 438 HG2 0.19 -0.00 -0.17 -0.04 2.34 2.32 1lf6A1 GLU 438 HG3 0.17 0.03 -0.59 -0.04 2.34 1.91 1lf6A1 GLU 439 H 0.10 -0.14 -0.13 -0.55 8.60 7.89 1lf6A1 GLU 439 HA 0.07 0.31 1.10 -0.75 4.29 5.02 1lf6A1 GLU 439 HB2 0.09 -0.05 -0.05 -0.04 2.09 2.03 1lf6A1 GLU 439 HB3 0.09 -0.01 0.05 -0.04 1.99 2.07 1lf6A1 GLU 439 HG2 0.11 0.08 -0.20 -0.04 2.34 2.29 1lf6A1 GLU 439 HG3 0.18 0.11 -0.60 -0.04 2.34 2.00 1lf6A1 ILE 440 H 0.02 -0.09 0.19 -0.55 8.25 7.82 1lf6A1 ILE 440 HA 0.00 0.26 0.90 -0.75 4.18 4.59 1lf6A1 ILE 440 HB 0.01 0.07 -0.22 -0.04 1.89 1.70 1lf6A1 ILE 440 HG12 -0.00 0.29 -0.06 -0.04 1.49 1.68 1lf6A1 ILE 440 HG13 0.02 -0.00 0.15 -0.04 1.21 1.34 1lf6A1 ILE 440 HG23 -0.03 -0.05 -0.15 -0.04 0.93 0.67 1lf6A1 ILE 440 HD13 0.05 -0.00 -0.07 -0.04 0.88 0.81 1lf6A1 GLY 441 H -0.02 0.15 0.18 -0.55 8.43 8.18 1lf6A1 GLY 441 HA2 -0.09 -0.02 0.49 -0.51 4.01 3.88 1lf6A1 GLY 441 HA3 -0.08 0.17 0.32 -0.51 4.01 3.91 1lf6A1 GLY 442 H -0.23 0.47 0.29 -0.55 8.43 8.42 1lf6A1 GLY 442 HA2 -0.44 0.07 0.34 -0.51 4.01 3.47 1lf6A1 GLY 442 HA3 -0.23 0.31 0.87 -0.51 4.01 4.45 1lf6A1 TYR 443 H -0.14 0.78 0.26 -0.55 8.29 8.64 1lf6A1 TYR 443 HA -0.14 0.08 0.79 -0.75 4.56 4.54 1lf6A1 TYR 443 HB2 -0.10 0.07 0.13 -0.04 3.06 3.12 1lf6A1 TYR 443 HB3 -0.11 -0.01 -0.09 -0.04 2.98 2.73 1lf6A1 TYR 443 HD2 -0.19 0.08 -0.16 -0.04 7.15 6.84 1lf6A1 TYR 443 HE2 -0.20 -0.02 -0.24 -0.04 6.85 6.35 1lf6A1 SER 444 H -0.05 0.20 0.15 -0.55 8.46 8.22 1lf6A1 SER 444 HA -0.01 0.44 0.97 -0.75 4.49 5.14 1lf6A1 SER 444 HB2 -0.07 0.14 -0.02 -0.04 3.95 3.96 1lf6A1 SER 444 HB3 -0.09 -0.03 0.14 -0.04 3.93 3.91 1lf6A1 PRO 445 HA -0.06 0.12 0.43 -0.51 4.44 4.42 1lf6A1 PRO 445 HB2 -0.15 -0.00 0.03 -0.04 2.28 2.12 1lf6A1 PRO 445 HB3 -0.17 0.09 0.07 -0.04 2.02 1.97 1lf6A1 PRO 445 HG2 0.04 -0.15 0.11 -0.04 2.03 1.99 1lf6A1 PRO 445 HG3 0.08 0.19 0.08 -0.04 2.03 2.34 1lf6A1 PRO 445 HD2 0.03 0.40 0.29 -0.04 3.68 4.35 1lf6A1 PRO 445 HD3 0.06 0.20 0.08 -0.04 3.65 3.95 1lf6A1 ALA 446 H -0.06 0.18 -0.17 -0.55 8.40 7.81 1lf6A1 ALA 446 HA -0.08 0.11 0.37 -0.75 4.34 3.99 1lf6A1 ALA 446 HB3 -0.12 0.01 0.00 -0.04 1.41 1.26 1lf6A1 THR 447 H -0.09 0.07 -0.18 -0.55 8.28 7.53 1lf6A1 THR 447 HA -0.08 -0.01 0.45 -0.75 4.39 3.99 1lf6A1 THR 447 HB -0.09 0.12 0.16 -0.04 4.32 4.47 1lf6A1 THR 447 HG23 -0.09 -0.01 -0.05 -0.04 1.22 1.03 1lf6A1 MET 448 H -0.06 0.75 -0.04 -0.55 8.47 8.57 1lf6A1 MET 448 HA -0.03 0.06 0.44 -0.75 4.52 4.24 1lf6A1 MET 448 HB2 -0.04 0.05 0.07 -0.04 2.15 2.20 1lf6A1 MET 448 HB3 -0.02 0.03 -0.02 -0.04 2.03 1.98 1lf6A1 MET 448 HG2 -0.12 0.06 0.02 -0.04 2.63 2.55 1lf6A1 MET 448 HG3 -0.05 -0.06 0.06 -0.04 2.56 2.48 1lf6A1 MET 448 HE3 -0.11 0.01 -0.09 -0.04 2.10 1.86 1lf6A1 ALA 449 H -0.05 0.45 -0.36 -0.55 8.40 7.89 1lf6A1 ALA 449 HA -0.05 0.07 0.41 -0.75 4.34 4.01 1lf6A1 ALA 449 HB3 -0.06 0.05 -0.02 -0.04 1.41 1.34 1lf6A1 ALA 450 H -0.04 0.39 -0.17 -0.55 8.40 8.03 1lf6A1 ALA 450 HA -0.05 0.05 0.43 -0.75 4.34 4.01 1lf6A1 ALA 450 HB3 -0.08 0.02 0.14 -0.04 1.41 1.45 1lf6A1 GLU 451 H 0.02 0.46 -0.21 -0.55 8.60 8.32 1lf6A1 GLU 451 HA 0.07 0.00 0.41 -0.75 4.29 4.02 1lf6A1 GLU 451 HB2 0.20 0.11 0.12 -0.04 2.09 2.48 1lf6A1 GLU 451 HB3 0.52 0.01 -0.03 -0.04 1.99 2.44 1lf6A1 GLU 451 HG2 0.09 -0.03 -0.07 -0.04 2.34 2.29 1lf6A1 GLU 451 HG3 0.01 0.11 -0.06 -0.04 2.34 2.36 1lf6A1 VAL 452 H 0.06 0.57 -0.16 -0.55 8.24 8.16 1lf6A1 VAL 452 HA 0.04 0.03 0.48 -0.75 4.13 3.92 1lf6A1 VAL 452 HB -0.08 0.07 0.16 -0.04 2.12 2.23 1lf6A1 VAL 452 HG13 -0.32 0.00 -0.14 -0.04 0.97 0.48 1lf6A1 VAL 452 HG23 0.03 0.05 -0.00 -0.04 0.95 0.99 1lf6A1 ALA 453 H -0.01 0.57 -0.08 -0.55 8.40 8.33 1lf6A1 ALA 453 HA 0.03 0.04 0.44 -0.75 4.34 4.10 1lf6A1 ALA 453 HB3 0.00 0.02 0.12 -0.04 1.41 1.51 1lf6A1 GLY 454 H -0.02 0.65 -0.16 -0.55 8.43 8.35 1lf6A1 GLY 454 HA2 -0.04 -0.03 0.37 -0.51 4.01 3.81 1lf6A1 GLY 454 HA3 -0.04 0.07 0.32 -0.51 4.01 3.85 1lf6A1 LEU 455 H -0.04 0.58 -0.19 -0.55 8.37 8.18 1lf6A1 LEU 455 HA -0.18 0.02 0.51 -0.75 4.35 3.94 1lf6A1 LEU 455 HB2 -0.11 0.10 0.14 -0.04 1.64 1.73 1lf6A1 LEU 455 HB3 -0.13 0.03 0.03 -0.04 1.64 1.52 1lf6A1 LEU 455 HG -0.10 0.14 0.07 -0.04 1.64 1.71 1lf6A1 LEU 455 HD13 -0.62 -0.00 -0.08 -0.04 0.93 0.19 1lf6A1 LEU 455 HD23 -0.24 -0.02 0.02 -0.04 0.89 0.61 1lf6A1 THR 456 H 0.00 0.52 -0.25 -0.55 8.28 8.00 1lf6A1 THR 456 HA 0.04 0.03 0.43 -0.75 4.39 4.13 1lf6A1 THR 456 HB 0.03 0.10 0.15 -0.04 4.32 4.56 1lf6A1 THR 456 HG23 -0.02 -0.02 -0.17 -0.04 1.22 0.97 1lf6A1 CYS 457 H -0.05 0.64 -0.11 -0.55 8.50 8.43 1lf6A1 CYS 457 HA -0.20 -0.00 0.41 -0.75 4.58 4.03 1lf6A1 CYS 457 HB2 -0.01 0.11 -0.01 -0.04 2.97 3.02 1lf6A1 CYS 457 HB3 0.04 -0.03 -0.02 -0.04 2.97 2.92 1lf6A1 ALA 458 H -0.01 0.46 -0.37 -0.55 8.40 7.93 1lf6A1 ALA 458 HA 0.12 -0.02 0.38 -0.75 4.34 4.07 1lf6A1 ALA 458 HB3 -0.25 0.05 0.08 -0.04 1.41 1.25 1lf6A1 ALA 459 H 0.10 0.52 -0.31 -0.55 8.40 8.17 1lf6A1 ALA 459 HA 0.25 -0.03 0.46 -0.75 4.34 4.26 1lf6A1 ALA 459 HB3 0.10 0.05 0.14 -0.04 1.41 1.66 1lf6A1 TYR 460 H 0.16 0.46 -0.24 -0.55 8.29 8.12 1lf6A1 TYR 460 HA -0.04 0.03 0.39 -0.75 4.56 4.19 1lf6A1 TYR 460 HB2 -0.06 0.05 0.10 -0.04 3.06 3.11 1lf6A1 TYR 460 HB3 0.02 0.15 0.16 -0.04 2.98 3.27 1lf6A1 TYR 460 HD2 0.13 0.02 -0.12 -0.04 7.15 7.14 1lf6A1 TYR 460 HE2 0.12 0.01 -0.03 -0.04 6.85 6.91 1lf6A1 ILE 461 H 0.23 0.60 -0.14 -0.55 8.25 8.39 1lf6A1 ILE 461 HA -0.10 0.03 0.41 -0.75 4.18 3.77 1lf6A1 ILE 461 HB 0.26 0.09 0.08 -0.04 1.89 2.28 1lf6A1 ILE 461 HG12 0.58 -0.05 -0.09 -0.04 1.49 1.89 1lf6A1 ILE 461 HG13 0.43 0.21 0.05 -0.04 1.21 1.86 1lf6A1 ILE 461 HG23 0.26 -0.03 -0.09 -0.04 0.93 1.02 1lf6A1 ILE 461 HD13 0.30 -0.02 -0.19 -0.04 0.88 0.92 1lf6A1 ALA 462 H 0.02 0.57 -0.29 -0.55 8.40 8.14 1lf6A1 ALA 462 HA -1.05 -0.00 0.39 -0.75 4.34 2.92 1lf6A1 ALA 462 HB3 0.04 0.05 0.06 -0.04 1.41 1.53 1lf6A1 GLU 463 H -0.26 0.55 -0.28 -0.55 8.60 8.07 1lf6A1 GLU 463 HA -0.58 -0.08 0.31 -0.75 4.29 3.18 1lf6A1 GLU 463 HB2 -0.35 0.23 0.17 -0.04 2.09 2.10 1lf6A1 GLU 463 HB3 -0.27 -0.03 -0.01 -0.04 1.99 1.63 1lf6A1 GLU 463 HG2 -0.16 -0.11 -0.02 -0.04 2.34 2.01 1lf6A1 GLU 463 HG3 -0.14 0.19 0.05 -0.04 2.34 2.40 1lf6A1 GLN 464 H -0.47 0.41 -0.21 -0.55 8.47 7.67 1lf6A1 GLN 464 HA -0.37 0.03 0.42 -0.75 4.36 3.69 1lf6A1 GLN 464 HB2 -0.54 0.14 0.15 -0.04 2.15 1.86 1lf6A1 GLN 464 HB3 -0.56 -0.05 0.07 -0.04 2.02 1.44 1lf6A1 GLN 464 HG2 -0.87 0.28 0.09 -0.04 2.40 1.86 1lf6A1 GLN 464 HG3 -1.49 -0.06 0.00 -0.04 2.39 0.80 1lf6A1 GLN 464 HE21 -0.30 -0.02 -0.01 -0.04 6.97 6.60 1lf6A1 GLN 464 HE22 -1.24 0.01 -0.02 -0.04 7.69 6.40 1lf6A1 ASN 465 H -0.44 0.31 -0.49 -0.55 8.53 7.37 1lf6A1 ASN 465 HA -0.17 0.12 0.67 -0.75 4.76 4.62 1lf6A1 ASN 465 HB2 -0.74 0.05 0.14 -0.04 2.88 2.29 1lf6A1 ASN 465 HB3 -0.25 -0.07 0.16 -0.04 2.79 2.59 1lf6A1 ASN 465 HD21 0.04 0.07 0.10 -0.04 7.03 7.21 1lf6A1 ASN 465 HD22 -0.40 0.61 0.12 -0.04 7.74 8.03 1lf6A1 LYS 466 H -0.42 0.46 -0.63 -0.55 8.42 7.27 1lf6A1 LYS 466 HA -0.95 0.06 0.33 -0.75 4.32 3.01 1lf6A1 LYS 466 HB2 -0.08 0.19 -0.06 -0.04 1.87 1.88 1lf6A1 LYS 466 HB3 0.10 -0.11 0.23 -0.04 1.79 1.98 1lf6A1 LYS 466 HG2 0.03 -0.00 0.03 -0.04 1.46 1.48 1lf6A1 LYS 466 HG3 -0.11 0.10 -0.22 -0.04 1.46 1.19 1lf6A1 LYS 466 HD2 0.00 0.01 -0.05 -0.04 1.69 1.61 1lf6A1 LYS 466 HD3 0.08 -0.06 0.02 -0.04 1.68 1.67 1lf6A1 LYS 466 HE2 0.04 -0.02 0.01 -0.04 2.99 2.98 1lf6A1 LYS 466 HE3 -0.01 0.06 -0.01 -0.04 2.99 2.99 1lf6A1 ASP 467 H -0.46 0.75 -0.26 -0.55 8.40 7.88 1lf6A1 ASP 467 HA -0.09 0.14 0.72 -0.75 4.63 4.64 1lf6A1 ASP 467 HB2 -0.10 0.14 0.02 -0.04 2.71 2.73 1lf6A1 ASP 467 HB3 -0.24 -0.01 0.17 -0.04 2.70 2.58 1lf6A1 TYR 468 H -0.10 0.45 -0.32 -0.55 8.29 7.77 1lf6A1 TYR 468 HA -0.09 0.05 0.28 -0.75 4.56 4.05 1lf6A1 TYR 468 HB2 -0.06 0.02 0.02 -0.04 3.06 3.00 1lf6A1 TYR 468 HB3 -0.06 0.02 0.03 -0.04 2.98 2.92 1lf6A1 TYR 468 HD2 -0.06 0.02 0.03 -0.04 7.15 7.10 1lf6A1 TYR 468 HE2 -0.07 0.05 0.06 -0.04 6.85 6.85 1lf6A1 GLU 469 H 0.04 0.13 -0.26 -0.55 8.60 7.96 1lf6A1 GLU 469 HA -0.01 0.10 0.41 -0.75 4.29 4.04 1lf6A1 GLU 469 HB2 -0.02 -0.03 0.06 -0.04 2.09 2.06 1lf6A1 GLU 469 HB3 -0.04 0.06 -0.03 -0.04 1.99 1.94 1lf6A1 GLU 469 HG2 0.00 0.03 0.01 -0.04 2.34 2.34 1lf6A1 GLU 469 HG3 0.03 -0.03 0.04 -0.04 2.34 2.34 1lf6A1 SER 470 H -0.10 0.14 -0.16 -0.55 8.46 7.80 1lf6A1 SER 470 HA -0.40 0.08 0.42 -0.75 4.49 3.84 1lf6A1 SER 470 HB2 -0.07 0.10 0.10 -0.04 3.95 4.03 1lf6A1 SER 470 HB3 -0.56 0.01 -0.02 -0.04 3.93 3.32 1lf6A1 ALA 471 H -0.15 0.50 -0.18 -0.55 8.40 8.02 1lf6A1 ALA 471 HA -0.01 -0.01 0.41 -0.75 4.34 3.98 1lf6A1 ALA 471 HB3 -0.09 0.02 0.02 -0.04 1.41 1.32 1lf6A1 GLN 472 H -0.06 0.57 -0.16 -0.55 8.47 8.28 1lf6A1 GLN 472 HA -0.02 0.01 0.40 -0.75 4.36 3.99 1lf6A1 GLN 472 HB2 -0.01 0.02 0.12 -0.04 2.15 2.24 1lf6A1 GLN 472 HB3 -0.04 0.10 0.13 -0.04 2.02 2.17 1lf6A1 GLN 472 HG2 -0.03 -0.02 -0.19 -0.04 2.40 2.12 1lf6A1 GLN 472 HG3 -0.02 -0.02 0.03 -0.04 2.39 2.34 1lf6A1 GLN 472 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.87 1lf6A1 GLN 472 HE22 -0.03 0.00 -0.08 -0.04 7.69 7.55 1lf6A1 LYS 473 H -0.15 0.42 -0.20 -0.55 8.42 7.93 1lf6A1 LYS 473 HA -0.07 0.00 0.41 -0.75 4.32 3.90 1lf6A1 LYS 473 HB2 -0.14 0.03 0.12 -0.04 1.87 1.85 1lf6A1 LYS 473 HB3 -0.36 0.09 0.19 -0.04 1.79 1.68 1lf6A1 LYS 473 HG2 -0.04 0.01 -0.22 -0.04 1.46 1.16 1lf6A1 LYS 473 HG3 -0.06 -0.03 0.01 -0.04 1.46 1.35 1lf6A1 LYS 473 HD2 -0.07 -0.02 -0.03 -0.04 1.69 1.52 1lf6A1 LYS 473 HD3 -0.15 -0.03 -0.03 -0.04 1.68 1.43 1lf6A1 LYS 473 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 1lf6A1 LYS 473 HE3 0.05 0.02 -0.06 -0.04 2.99 2.95 1lf6A1 TYR 474 H -0.23 0.71 -0.07 -0.55 8.29 8.16 1lf6A1 TYR 474 HA -0.12 0.01 0.42 -0.75 4.56 4.12 1lf6A1 TYR 474 HB2 -0.02 0.06 0.16 -0.04 3.06 3.22 1lf6A1 TYR 474 HB3 -0.04 0.08 0.05 -0.04 2.98 3.03 1lf6A1 TYR 474 HD2 -0.00 -0.01 -0.29 -0.04 7.15 6.81 1lf6A1 TYR 474 HE2 0.09 -0.00 -0.16 -0.04 6.85 6.74 1lf6A1 GLN 475 H 0.05 0.59 -0.03 -0.55 8.47 8.54 1lf6A1 GLN 475 HA 0.02 -0.00 0.36 -0.75 4.36 3.99 1lf6A1 GLN 475 HB2 0.00 0.12 0.15 -0.04 2.15 2.39 1lf6A1 GLN 475 HB3 0.00 -0.02 -0.05 -0.04 2.02 1.91 1lf6A1 GLN 475 HG2 0.05 -0.00 0.08 -0.04 2.40 2.48 1lf6A1 GLN 475 HG3 0.01 -0.01 -0.00 -0.04 2.39 2.35 1lf6A1 GLN 475 HE21 0.07 0.02 0.01 -0.04 6.97 7.02 1lf6A1 GLN 475 HE22 0.03 -0.02 0.12 -0.04 7.69 7.78 1lf6A1 GLU 476 H -0.03 0.62 -0.16 -0.55 8.60 8.49 1lf6A1 GLU 476 HA -0.03 0.00 0.43 -0.75 4.29 3.94 1lf6A1 GLU 476 HB2 -0.05 0.19 0.18 -0.04 2.09 2.38 1lf6A1 GLU 476 HB3 -0.05 -0.04 -0.04 -0.04 1.99 1.82 1lf6A1 GLU 476 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.27 1lf6A1 GLU 476 HG3 -0.02 0.01 0.05 -0.04 2.34 2.34 1lf6A1 LYS 477 H -0.14 0.50 -0.22 -0.55 8.42 8.01 1lf6A1 LYS 477 HA -0.36 0.01 0.44 -0.75 4.32 3.66 1lf6A1 LYS 477 HB2 -0.27 0.11 0.15 -0.04 1.87 1.82 1lf6A1 LYS 477 HB3 -0.45 0.11 0.17 -0.04 1.79 1.57 1lf6A1 LYS 477 HG2 -0.83 0.00 -0.02 -0.04 1.46 0.57 1lf6A1 LYS 477 HG3 -2.27 -0.08 -0.13 -0.04 1.46 -1.07 1lf6A1 LYS 477 HD2 -0.03 0.05 -0.03 -0.04 1.69 1.64 1lf6A1 LYS 477 HD3 -0.35 -0.07 0.05 -0.04 1.68 1.27 1lf6A1 LYS 477 HE2 -0.12 0.00 0.02 -0.04 2.99 2.84 1lf6A1 LYS 477 HE3 -0.07 0.03 0.01 -0.04 2.99 2.92 1lf6A1 ALA 478 H -0.21 0.62 -0.05 -0.55 8.40 8.21 1lf6A1 ALA 478 HA -0.19 -0.04 0.36 -0.75 4.34 3.71 1lf6A1 ALA 478 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 1lf6A1 ASP 479 H 0.00 0.69 -0.15 -0.55 8.40 8.40 1lf6A1 ASP 479 HA 0.21 0.02 0.42 -0.75 4.63 4.53 1lf6A1 ASP 479 HB2 0.03 0.10 0.15 -0.04 2.71 2.95 1lf6A1 ASP 479 HB3 0.08 -0.05 0.01 -0.04 2.70 2.70 1lf6A1 ASN 480 H -0.04 0.53 -0.19 -0.55 8.53 8.29 1lf6A1 ASN 480 HA 0.07 0.00 0.45 -0.75 4.76 4.53 1lf6A1 ASN 480 HB2 0.02 0.04 0.14 -0.04 2.88 3.03 1lf6A1 ASN 480 HB3 -0.03 0.13 0.24 -0.04 2.79 3.09 1lf6A1 ASN 480 HD21 0.26 -0.04 -0.08 -0.04 7.03 7.14 1lf6A1 ASN 480 HD22 0.43 0.04 -0.05 -0.04 7.74 8.12 1lf6A1 TRP 481 H 0.09 0.74 0.02 -0.55 7.97 8.27 1lf6A1 TRP 481 HA -0.03 -0.00 0.39 -0.75 4.62 4.23 1lf6A1 TRP 481 HB2 -0.03 0.10 0.07 -0.04 3.23 3.33 1lf6A1 TRP 481 HB3 -0.03 -0.10 -0.00 -0.04 3.23 3.05 1lf6A1 TRP 481 HD1 -0.01 -0.08 -0.12 -0.04 7.22 6.97 1lf6A1 TRP 481 HE1 0.00 0.04 -0.06 -0.04 10.20 10.14 1lf6A1 TRP 481 HE3 -0.03 -0.05 -0.15 -0.04 7.59 7.32 1lf6A1 TRP 481 HZ2 -0.01 0.21 -0.24 -0.04 7.44 7.36 1lf6A1 TRP 481 HZ3 -0.05 -0.06 -0.10 -0.04 7.13 6.88 1lf6A1 TRP 481 HH2 -0.05 0.24 -0.21 -0.04 7.19 7.13 1lf6A1 GLN 482 H 0.08 0.60 -0.27 -0.55 8.47 8.34 1lf6A1 GLN 482 HA -0.07 -0.06 0.42 -0.75 4.36 3.90 1lf6A1 GLN 482 HB2 -0.31 0.16 0.16 -0.04 2.15 2.12 1lf6A1 GLN 482 HB3 -0.08 0.12 0.14 -0.04 2.02 2.16 1lf6A1 GLN 482 HG2 -0.40 -0.11 0.08 -0.04 2.40 1.92 1lf6A1 GLN 482 HG3 -1.52 0.02 0.03 -0.04 2.39 0.87 1lf6A1 GLN 482 HE21 0.01 -0.06 0.04 -0.04 6.97 6.92 1lf6A1 GLN 482 HE22 -0.14 0.20 0.09 -0.04 7.69 7.79 1lf6A1 LYS 483 H 0.06 0.53 -0.20 -0.55 8.42 8.25 1lf6A1 LYS 483 HA 0.02 0.03 0.50 -0.75 4.32 4.12 1lf6A1 LYS 483 HB2 0.05 0.17 0.18 -0.04 1.87 2.23 1lf6A1 LYS 483 HB3 0.03 -0.10 0.10 -0.04 1.79 1.78 1lf6A1 LYS 483 HG2 0.06 0.15 0.10 -0.04 1.46 1.74 1lf6A1 LYS 483 HG3 0.04 -0.06 0.04 -0.04 1.46 1.45 1lf6A1 LYS 483 HD2 0.03 -0.06 0.08 -0.04 1.69 1.69 1lf6A1 LYS 483 HD3 0.04 0.01 0.03 -0.04 1.68 1.72 1lf6A1 LYS 483 HE2 0.03 -0.03 0.02 -0.04 2.99 2.97 1lf6A1 LYS 483 HE3 0.03 -0.03 0.03 -0.04 2.99 2.98 1lf6A1 LEU 484 H 0.06 0.35 -0.48 -0.55 8.37 7.75 1lf6A1 LEU 484 HA -0.01 0.10 0.80 -0.75 4.35 4.48 1lf6A1 LEU 484 HB2 0.01 0.09 0.07 -0.04 1.64 1.77 1lf6A1 LEU 484 HB3 -0.08 -0.09 0.04 -0.04 1.64 1.48 1lf6A1 LEU 484 HG 0.07 0.29 -0.03 -0.04 1.64 1.93 1lf6A1 LEU 484 HD13 0.05 -0.03 -0.08 -0.04 0.93 0.83 1lf6A1 LEU 484 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.78 1lf6A1 ILE 485 H 0.01 0.45 -0.17 -0.55 8.25 8.00 1lf6A1 ILE 485 HA -0.00 -0.01 0.30 -0.75 4.18 3.72 1lf6A1 ILE 485 HB 0.02 0.14 0.12 -0.04 1.89 2.13 1lf6A1 ILE 485 HG12 -0.01 -0.13 -0.03 -0.04 1.49 1.27 1lf6A1 ILE 485 HG13 0.00 0.34 0.12 -0.04 1.21 1.63 1lf6A1 ILE 485 HG23 0.03 -0.04 -0.17 -0.04 0.93 0.70 1lf6A1 ILE 485 HD13 -0.07 0.01 -0.07 -0.04 0.88 0.72 1lf6A1 ASP 486 H 0.05 0.26 -0.24 -0.55 8.40 7.92 1lf6A1 ASP 486 HA 0.19 -0.02 0.38 -0.75 4.63 4.42 1lf6A1 ASP 486 HB2 0.00 0.10 0.07 -0.04 2.71 2.83 1lf6A1 ASP 486 HB3 -0.05 0.03 -0.03 -0.04 2.70 2.61 1lf6A1 ASN 487 H 0.00 0.18 -0.18 -0.55 8.53 7.99 1lf6A1 ASN 487 HA -0.00 0.06 0.42 -0.75 4.76 4.49 1lf6A1 ASN 487 HB2 -0.03 0.05 0.15 -0.04 2.88 3.01 1lf6A1 ASN 487 HB3 -0.05 0.02 0.06 -0.04 2.79 2.78 1lf6A1 ASN 487 HD21 -0.01 -0.03 0.03 -0.04 7.03 6.98 1lf6A1 ASN 487 HD22 -0.03 0.01 0.04 -0.04 7.74 7.73 1lf6A1 LEU 488 H -0.04 0.42 -0.40 -0.55 8.37 7.81 1lf6A1 LEU 488 HA -0.16 0.17 0.74 -0.75 4.35 4.35 1lf6A1 LEU 488 HB2 -0.16 0.06 -0.01 -0.04 1.64 1.50 1lf6A1 LEU 488 HB3 -0.37 -0.09 -0.02 -0.04 1.64 1.11 1lf6A1 LEU 488 HG -0.24 0.04 -0.09 -0.04 1.64 1.31 1lf6A1 LEU 488 HD13 -0.56 -0.03 -0.11 -0.04 0.93 0.20 1lf6A1 LEU 488 HD23 -0.59 0.03 -0.03 -0.04 0.89 0.26 1lf6A1 THR 489 H 0.07 0.41 0.03 -0.55 8.28 8.24 1lf6A1 THR 489 HA 0.05 0.21 1.06 -0.75 4.39 4.96 1lf6A1 THR 489 HB 0.15 -0.04 0.08 -0.04 4.32 4.47 1lf6A1 THR 489 HG23 0.06 -0.00 -0.38 -0.04 1.22 0.86 1lf6A1 TYR 490 H 0.14 0.53 0.13 -0.55 8.29 8.54 1lf6A1 TYR 490 HA -0.21 0.08 0.80 -0.75 4.56 4.47 1lf6A1 TYR 490 HB2 -0.35 -0.13 0.05 -0.04 3.06 2.59 1lf6A1 TYR 490 HB3 -0.16 0.17 0.19 -0.04 2.98 3.14 1lf6A1 TYR 490 HD2 -0.69 -0.04 -0.22 -0.04 7.15 6.16 1lf6A1 TYR 490 HE2 -0.23 0.02 -0.11 -0.04 6.85 6.48 1lf6A1 THR 491 H -0.48 0.47 0.27 -0.55 8.28 8.00 1lf6A1 THR 491 HA -0.27 0.08 0.53 -0.75 4.39 3.97 1lf6A1 THR 491 HB -0.27 0.10 0.03 -0.04 4.32 4.13 1lf6A1 THR 491 HG23 -0.86 0.10 -0.04 -0.04 1.22 0.38 1lf6A1 GLU 492 H -0.24 0.07 0.18 -0.55 8.60 8.07 1lf6A1 GLU 492 HA -0.32 0.17 0.79 -0.75 4.29 4.18 1lf6A1 GLU 492 HB2 -0.11 -0.03 0.03 -0.04 2.09 1.94 1lf6A1 GLU 492 HB3 -0.09 0.01 0.13 -0.04 1.99 1.99 1lf6A1 GLU 492 HG2 -0.07 -0.01 -0.11 -0.04 2.34 2.12 1lf6A1 GLU 492 HG3 -0.22 0.01 -0.58 -0.04 2.34 1.51 1lf6A1 ASN 493 H -0.23 -0.06 0.10 -0.55 8.53 7.80 1lf6A1 ASN 493 HA -0.08 0.24 0.85 -0.75 4.76 5.02 1lf6A1 ASN 493 HB2 -0.08 -0.07 -0.04 -0.04 2.88 2.65 1lf6A1 ASN 493 HB3 -0.08 0.04 0.18 -0.04 2.79 2.89 1lf6A1 ASN 493 HD21 -0.02 -0.06 0.05 -0.04 7.03 6.95 1lf6A1 ASN 493 HD22 -0.03 0.15 0.09 -0.04 7.74 7.91 1lf6A1 GLY 494 H -0.25 0.52 -0.04 -0.55 8.43 8.11 1lf6A1 GLY 494 HA2 -0.04 0.09 0.59 -0.51 4.01 4.14 1lf6A1 GLY 494 HA3 -0.18 0.02 0.24 -0.51 4.01 3.59 1lf6A1 PRO 495 HA 0.05 0.13 0.43 -0.51 4.44 4.55 1lf6A1 PRO 495 HB2 0.06 0.01 0.01 -0.04 2.28 2.31 1lf6A1 PRO 495 HB3 0.05 0.00 0.07 -0.04 2.02 2.10 1lf6A1 PRO 495 HG2 0.10 0.05 -0.03 -0.04 2.03 2.12 1lf6A1 PRO 495 HG3 0.09 -0.06 -0.05 -0.04 2.03 1.97 1lf6A1 PRO 495 HD2 0.16 0.29 0.07 -0.04 3.68 4.16 1lf6A1 PRO 495 HD3 0.06 0.11 0.11 -0.04 3.65 3.89 1lf6A1 LEU 496 H 0.24 0.08 -0.29 -0.55 8.37 7.85 1lf6A1 LEU 496 HA 0.01 0.13 0.64 -0.75 4.35 4.37 1lf6A1 LEU 496 HB2 -0.43 -0.01 -0.07 -0.04 1.64 1.09 1lf6A1 LEU 496 HB3 -0.22 -0.01 -0.04 -0.04 1.64 1.33 1lf6A1 LEU 496 HG 0.02 -0.01 -0.02 -0.04 1.64 1.59 1lf6A1 LEU 496 HD13 -0.22 0.04 -0.09 -0.04 0.93 0.62 1lf6A1 LEU 496 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.80 1lf6A1 GLY 497 H -0.02 0.12 0.12 -0.55 8.43 8.11 1lf6A1 GLY 497 HA2 0.01 0.06 0.31 -0.51 4.01 3.88 1lf6A1 GLY 497 HA3 -0.00 -0.04 0.33 -0.51 4.01 3.78 1lf6A1 ASN 498 H 0.05 0.10 0.14 -0.55 8.53 8.27 1lf6A1 ASN 498 HA 0.03 0.14 0.50 -0.75 4.76 4.67 1lf6A1 ASN 498 HB2 0.03 0.03 0.17 -0.04 2.88 3.06 1lf6A1 ASN 498 HB3 0.03 -0.03 0.12 -0.04 2.79 2.87 1lf6A1 ASN 498 HD21 0.05 0.02 0.03 -0.04 7.03 7.09 1lf6A1 ASN 498 HD22 0.04 -0.01 0.03 -0.04 7.74 7.76 1lf6A1 GLY 499 H 0.14 0.56 -0.52 -0.55 8.43 8.07 1lf6A1 GLY 499 HA2 0.14 0.11 0.12 -0.51 4.01 3.86 1lf6A1 GLY 499 HA3 -0.01 0.12 0.26 -0.51 4.01 3.87 1lf6A1 GLN 500 H 0.07 0.04 -0.49 -0.55 8.47 7.54 1lf6A1 GLN 500 HA -0.49 0.38 0.98 -0.75 4.36 4.48 1lf6A1 GLN 500 HB2 0.01 -0.08 0.05 -0.04 2.15 2.09 1lf6A1 GLN 500 HB3 -0.04 -0.03 -0.03 -0.04 2.02 1.87 1lf6A1 GLN 500 HG2 -0.09 -0.01 -0.01 -0.04 2.40 2.25 1lf6A1 GLN 500 HG3 -0.08 0.12 -0.32 -0.04 2.39 2.07 1lf6A1 GLN 500 HE21 0.03 -0.03 -0.01 -0.04 6.97 6.91 1lf6A1 GLN 500 HE22 0.06 -0.02 -0.03 -0.04 7.69 7.66 1lf6A1 TYR 501 H -0.99 0.63 0.19 -0.55 8.29 7.56 1lf6A1 TYR 501 HA -0.13 0.01 0.35 -0.75 4.56 4.03 1lf6A1 TYR 501 HB2 -0.16 0.01 0.03 -0.04 3.06 2.89 1lf6A1 TYR 501 HB3 -0.12 0.20 -0.07 -0.04 2.98 2.95 1lf6A1 TYR 501 HD2 -0.11 0.13 -0.63 -0.04 7.15 6.50 1lf6A1 TYR 501 HE2 -0.06 0.15 -0.22 -0.04 6.85 6.68 1lf6A1 TYR 502 H 0.07 0.08 0.15 -0.55 8.29 8.04 1lf6A1 TYR 502 HA 0.08 0.17 0.65 -0.75 4.56 4.70 1lf6A1 TYR 502 HB2 -0.17 -0.09 0.12 -0.04 3.06 2.88 1lf6A1 TYR 502 HB3 0.06 0.10 0.02 -0.04 2.98 3.12 1lf6A1 TYR 502 HD2 0.07 0.04 -0.14 -0.04 7.15 7.08 1lf6A1 TYR 502 HE2 0.06 -0.04 -0.25 -0.04 6.85 6.58 1lf6A1 ILE 503 H 0.11 0.54 0.34 -0.55 8.25 8.69 1lf6A1 ILE 503 HA 0.18 0.17 0.82 -0.75 4.18 4.60 1lf6A1 ILE 503 HB 0.09 0.15 0.20 -0.04 1.89 2.29 1lf6A1 ILE 503 HG12 0.04 0.22 0.11 -0.04 1.49 1.81 1lf6A1 ILE 503 HG13 0.05 -0.18 -0.40 -0.04 1.21 0.65 1lf6A1 ILE 503 HG23 -0.01 0.00 -0.02 -0.04 0.93 0.86 1lf6A1 ILE 503 HD13 0.00 0.01 -0.15 -0.04 0.88 0.70 1lf6A1 ARG 504 H 0.09 0.76 0.29 -0.55 8.46 9.04 1lf6A1 ARG 504 HA 0.08 -0.08 0.41 -0.75 4.34 4.00 1lf6A1 ARG 504 HB2 0.07 -0.02 -0.27 -0.04 1.90 1.63 1lf6A1 ARG 504 HB3 0.02 0.07 0.05 -0.04 1.80 1.89 1lf6A1 ARG 504 HG2 -0.02 -0.01 -0.34 -0.04 1.67 1.27 1lf6A1 ARG 504 HG3 0.07 -0.11 -0.05 -0.04 1.67 1.53 1lf6A1 ARG 504 HD2 -0.26 0.05 -0.15 -0.04 3.22 2.83 1lf6A1 ARG 504 HD3 -0.21 0.08 -0.14 -0.04 3.22 2.91 1lf6A1 ILE 505 H 0.03 0.27 -0.03 -0.55 8.25 7.98 1lf6A1 ILE 505 HA 0.01 0.27 0.55 -0.75 4.18 4.26 1lf6A1 ILE 505 HB -0.03 -0.04 -0.40 -0.04 1.89 1.39 1lf6A1 ILE 505 HG12 -0.07 0.16 -0.46 -0.04 1.49 1.08 1lf6A1 ILE 505 HG13 -0.05 0.09 -0.68 -0.04 1.21 0.52 1lf6A1 ILE 505 HG23 -0.02 -0.03 -0.22 -0.04 0.93 0.62 1lf6A1 ILE 505 HD13 -0.08 -0.06 -0.57 -0.04 0.88 0.12 1lf6A1 ALA 506 H 0.02 0.64 0.27 -0.55 8.40 8.78 1lf6A1 ALA 506 HA -0.05 0.07 0.85 -0.75 4.34 4.45 1lf6A1 ALA 506 HB3 0.02 -0.01 0.11 -0.04 1.41 1.49 1lf6A1 GLY 507 H -0.41 0.11 0.16 -0.55 8.43 7.74 1lf6A1 GLY 507 HA2 -0.37 0.15 0.69 -0.51 4.01 3.97 1lf6A1 GLY 507 HA3 -1.45 0.01 0.31 -0.51 4.01 2.37 1lf6A1 LEU 508 H -0.36 0.01 -0.01 -0.55 8.37 7.46 1lf6A1 LEU 508 HA -0.09 0.26 0.83 -0.75 4.35 4.59 1lf6A1 LEU 508 HB2 -0.11 0.02 0.05 -0.04 1.64 1.56 1lf6A1 LEU 508 HB3 -0.05 -0.12 0.19 -0.04 1.64 1.62 1lf6A1 LEU 508 HG -0.31 -0.07 -0.12 -0.04 1.64 1.10 1lf6A1 LEU 508 HD13 0.12 0.02 0.02 -0.04 0.93 1.05 1lf6A1 LEU 508 HD23 0.06 0.05 -0.02 -0.04 0.89 0.93 1lf6A1 SER 509 H -0.05 0.15 0.10 -0.55 8.46 8.11 1lf6A1 SER 509 HA -0.29 0.21 0.67 -0.75 4.49 4.33 1lf6A1 SER 509 HB2 -0.07 -0.02 0.09 -0.04 3.95 3.90 1lf6A1 SER 509 HB3 -0.15 0.05 0.18 -0.04 3.93 3.96 1lf6A1 ASP 510 H -0.08 0.01 -0.51 -0.55 8.40 7.27 1lf6A1 ASP 510 HA -0.07 0.38 0.78 -0.75 4.63 4.97 1lf6A1 ASP 510 HB2 -0.04 0.12 -0.13 -0.04 2.71 2.61 1lf6A1 ASP 510 HB3 -0.03 -0.08 0.10 -0.04 2.70 2.64 1lf6A1 PRO 511 HA -0.05 0.04 0.36 -0.51 4.44 4.27 1lf6A1 PRO 511 HB2 -0.10 -0.05 -0.48 -0.04 2.28 1.61 1lf6A1 PRO 511 HB3 -0.04 0.14 -0.36 -0.04 2.02 1.72 1lf6A1 PRO 511 HG2 -0.07 -0.02 -0.19 -0.04 2.03 1.70 1lf6A1 PRO 511 HG3 -0.03 0.09 -0.43 -0.04 2.03 1.62 1lf6A1 PRO 511 HD2 -0.06 0.09 0.20 -0.04 3.68 3.87 1lf6A1 PRO 511 HD3 -0.08 0.27 0.01 -0.04 3.65 3.82 1lf6A1 ASP 512 H -0.06 0.06 -0.45 -0.55 8.40 7.40 1lf6A1 ASP 512 HA -0.09 0.09 0.72 -0.75 4.63 4.60 1lf6A1 ASP 512 HB2 -0.05 0.01 -0.01 -0.04 2.71 2.62 1lf6A1 ASP 512 HB3 -0.05 0.03 0.06 -0.04 2.70 2.69 1lf6A1 ALA 513 H -0.02 0.21 -0.21 -0.55 8.40 7.83 1lf6A1 ALA 513 HA 0.01 0.06 0.46 -0.75 4.34 4.12 1lf6A1 ALA 513 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1lf6A1 ASP 514 H 0.04 0.10 0.18 -0.55 8.40 8.18 1lf6A1 ASP 514 HA 0.06 0.08 0.65 -0.75 4.63 4.67 1lf6A1 ASP 514 HB2 0.03 -0.01 0.15 -0.04 2.71 2.84 1lf6A1 ASP 514 HB3 0.03 -0.04 0.04 -0.04 2.70 2.69 1lf6A1 PHE 515 H 0.13 0.12 0.11 -0.55 8.34 8.15 1lf6A1 PHE 515 HA 0.00 0.08 0.52 -0.75 4.62 4.47 1lf6A1 PHE 515 HB2 0.00 0.17 -0.24 -0.04 3.15 3.04 1lf6A1 PHE 515 HB3 0.01 -0.08 0.05 -0.04 3.06 3.00 1lf6A1 PHE 515 HD2 0.01 -0.01 -0.12 -0.04 7.28 7.12 1lf6A1 PHE 515 HE2 -0.00 0.02 -0.04 -0.04 7.38 7.31 1lf6A1 PHE 515 HZ -0.01 0.03 0.01 -0.04 7.32 7.31 1lf6A1 MET 516 H -0.33 0.16 0.13 -0.55 8.47 7.89 1lf6A1 MET 516 HA -0.01 0.18 0.75 -0.75 4.52 4.68 1lf6A1 MET 516 HB2 -0.19 -0.01 0.09 -0.04 2.15 2.00 1lf6A1 MET 516 HB3 -0.10 0.07 -0.06 -0.04 2.03 1.90 1lf6A1 MET 516 HG2 -0.09 -0.08 -0.02 -0.04 2.63 2.40 1lf6A1 MET 516 HG3 -0.09 0.04 -0.04 -0.04 2.56 2.43 1lf6A1 MET 516 HE3 -0.08 0.01 -0.25 -0.04 2.10 1.74 1lf6A1 ILE 517 H 0.06 0.77 0.43 -0.55 8.25 8.96 1lf6A1 ILE 517 HA 0.03 0.19 0.97 -0.75 4.18 4.63 1lf6A1 ILE 517 HB 0.10 -0.00 0.01 -0.04 1.89 1.95 1lf6A1 ILE 517 HG12 0.14 0.11 -0.05 -0.04 1.49 1.64 1lf6A1 ILE 517 HG13 0.13 -0.05 -0.29 -0.04 1.21 0.96 1lf6A1 ILE 517 HG23 0.28 0.03 -0.17 -0.04 0.93 1.03 1lf6A1 ILE 517 HD13 0.07 0.00 -0.11 -0.04 0.88 0.80 1lf6A1 ASN 518 H 0.04 0.18 0.13 -0.55 8.53 8.34 1lf6A1 ASN 518 HA 0.02 0.22 0.96 -0.75 4.76 5.21 1lf6A1 ASN 518 HB2 0.02 -0.02 0.13 -0.04 2.88 2.97 1lf6A1 ASN 518 HB3 0.01 0.04 -0.02 -0.04 2.79 2.79 1lf6A1 ASN 518 HD21 -0.04 -0.00 -0.09 -0.04 7.03 6.86 1lf6A1 ASN 518 HD22 -0.02 0.02 -0.07 -0.04 7.74 7.63 1lf6A1 ILE 519 H 0.12 0.81 0.26 -0.55 8.25 8.89 1lf6A1 ILE 519 HA 0.10 -0.03 0.48 -0.75 4.18 3.98 1lf6A1 ILE 519 HB 0.24 -0.06 -0.07 -0.04 1.89 1.96 1lf6A1 ILE 519 HG12 0.33 0.04 -0.15 -0.04 1.49 1.67 1lf6A1 ILE 519 HG13 0.31 0.10 -0.20 -0.04 1.21 1.38 1lf6A1 ILE 519 HG23 0.29 0.09 -0.11 -0.04 0.93 1.16 1lf6A1 ILE 519 HD13 0.08 -0.02 -0.19 -0.04 0.88 0.71 1lf6A1 ALA 520 H 0.12 0.06 0.14 -0.55 8.40 8.17 1lf6A1 ALA 520 HA 0.10 0.11 0.41 -0.75 4.34 4.21 1lf6A1 ALA 520 HB3 0.13 0.01 0.12 -0.04 1.41 1.62 1lf6A1 ASN 521 H 0.14 0.17 0.18 -0.55 8.53 8.47 1lf6A1 ASN 521 HA 0.18 0.25 0.45 -0.75 4.76 4.88 1lf6A1 ASN 521 HB2 0.21 -0.06 -0.18 -0.04 2.88 2.81 1lf6A1 ASN 521 HB3 0.31 0.07 -0.04 -0.04 2.79 3.09 1lf6A1 ASN 521 HD21 0.13 0.07 -0.09 -0.04 7.03 7.10 1lf6A1 ASN 521 HD22 0.21 -0.09 -0.24 -0.04 7.74 7.57 1lf6A1 GLY 522 H 0.10 0.05 -0.14 -0.55 8.43 7.88 1lf6A1 GLY 522 HA2 0.06 -0.03 0.29 -0.51 4.01 3.82 1lf6A1 GLY 522 HA3 0.07 0.05 0.38 -0.51 4.01 4.01 1lf6A1 GLY 523 H 0.14 0.42 -0.54 -0.55 8.43 7.91 1lf6A1 GLY 523 HA2 0.16 0.09 0.32 -0.51 4.01 4.07 1lf6A1 GLY 523 HA3 0.21 -0.00 0.24 -0.51 4.01 3.94 1lf6A1 GLY 524 H 0.09 0.06 -0.27 -0.55 8.43 7.76 1lf6A1 GLY 524 HA2 -0.06 -0.00 0.27 -0.51 4.01 3.71 1lf6A1 GLY 524 HA3 -0.06 0.25 0.88 -0.51 4.01 4.58 1lf6A1 VAL 525 H -0.46 0.21 0.17 -0.55 8.24 7.61 1lf6A1 VAL 525 HA -0.11 0.31 1.15 -0.75 4.13 4.73 1lf6A1 VAL 525 HB -0.21 -0.02 0.13 -0.04 2.12 1.98 1lf6A1 VAL 525 HG13 -0.11 0.01 -0.15 -0.04 0.97 0.68 1lf6A1 VAL 525 HG23 -0.09 -0.02 -0.11 -0.04 0.95 0.69 1lf6A1 TYR 526 H 0.07 0.50 0.30 -0.55 8.29 8.61 1lf6A1 TYR 526 HA -0.02 0.17 0.83 -0.75 4.56 4.78 1lf6A1 TYR 526 HB2 0.03 0.01 -0.12 -0.04 3.06 2.94 1lf6A1 TYR 526 HB3 0.02 -0.04 0.09 -0.04 2.98 3.01 1lf6A1 TYR 526 HD2 -0.06 -0.03 -0.18 -0.04 7.15 6.84 1lf6A1 TYR 526 HE2 -0.26 0.10 -0.19 -0.04 6.85 6.46 1lf6A1 ASP 527 H 0.15 0.17 0.18 -0.55 8.40 8.35 1lf6A1 ASP 527 HA 0.08 0.16 0.64 -0.75 4.63 4.76 1lf6A1 ASP 527 HB2 0.06 0.05 0.10 -0.04 2.71 2.88 1lf6A1 ASP 527 HB3 0.09 0.01 0.16 -0.04 2.70 2.92 1lf6A1 GLN 528 H 0.16 0.65 0.40 -0.55 8.47 9.13 1lf6A1 GLN 528 HA 0.12 0.03 0.41 -0.75 4.36 4.15 1lf6A1 GLN 528 HB2 0.07 0.15 0.19 -0.04 2.15 2.51 1lf6A1 GLN 528 HB3 0.18 0.01 0.22 -0.04 2.02 2.39 1lf6A1 GLN 528 HG2 0.16 -0.04 0.23 -0.04 2.40 2.71 1lf6A1 GLN 528 HG3 0.06 0.07 0.02 -0.04 2.39 2.50 1lf6A1 GLN 528 HE21 -0.05 -0.05 -0.05 -0.04 6.97 6.79 1lf6A1 GLN 528 HE22 0.01 0.30 -0.06 -0.04 7.69 7.90 1lf6A1 LYS 529 H 0.08 0.06 -0.27 -0.55 8.42 7.73 1lf6A1 LYS 529 HA 0.06 0.13 0.48 -0.75 4.32 4.24 1lf6A1 LYS 529 HB2 0.04 -0.04 0.03 -0.04 1.87 1.87 1lf6A1 LYS 529 HB3 0.01 -0.05 0.11 -0.04 1.79 1.81 1lf6A1 LYS 529 HG2 -0.08 0.06 0.04 -0.04 1.46 1.44 1lf6A1 LYS 529 HG3 0.01 -0.08 0.01 -0.04 1.46 1.36 1lf6A1 LYS 529 HD2 -0.06 0.05 -0.19 -0.04 1.69 1.45 1lf6A1 LYS 529 HD3 -0.05 0.07 -0.05 -0.04 1.68 1.61 1lf6A1 LYS 529 HE2 0.02 0.04 -0.14 -0.04 2.99 2.88 1lf6A1 LYS 529 HE3 0.02 -0.14 -0.02 -0.04 2.99 2.81 1lf6A1 GLU 530 H 0.11 0.56 -0.30 -0.55 8.60 8.43 1lf6A1 GLU 530 HA 0.11 0.09 0.61 -0.75 4.29 4.34 1lf6A1 GLU 530 HB2 0.14 0.09 0.04 -0.04 2.09 2.31 1lf6A1 GLU 530 HB3 0.10 -0.01 0.09 -0.04 1.99 2.14 1lf6A1 GLU 530 HG2 0.11 0.04 0.02 -0.04 2.34 2.47 1lf6A1 GLU 530 HG3 0.12 -0.08 0.07 -0.04 2.34 2.40 1lf6A1 ILE 531 H 0.10 0.36 -0.25 -0.55 8.25 7.91 1lf6A1 ILE 531 HA 0.04 0.16 1.04 -0.75 4.18 4.67 1lf6A1 ILE 531 HB 0.06 -0.01 0.16 -0.04 1.89 2.06 1lf6A1 ILE 531 HG12 0.10 0.05 -0.12 -0.04 1.49 1.47 1lf6A1 ILE 531 HG13 0.07 -0.03 -0.13 -0.04 1.21 1.08 1lf6A1 ILE 531 HG23 0.03 -0.00 -0.12 -0.04 0.93 0.80 1lf6A1 ILE 531 HD13 0.01 0.06 -0.28 -0.04 0.88 0.63 1lf6A1 VAL 532 H 0.03 0.16 0.22 -0.55 8.24 8.11 1lf6A1 VAL 532 HA 0.08 0.17 0.93 -0.75 4.13 4.54 1lf6A1 VAL 532 HB -0.04 -0.01 -0.02 -0.04 2.12 2.00 1lf6A1 VAL 532 HG13 -0.19 0.05 -0.21 -0.04 0.97 0.58 1lf6A1 VAL 532 HG23 -0.04 0.01 -0.11 -0.04 0.95 0.76 1lf6A1 ASP 533 H 0.12 0.30 0.06 -0.55 8.40 8.33 1lf6A1 ASP 533 HA 0.24 0.38 0.85 -0.75 4.63 5.35 1lf6A1 ASP 533 HB2 0.21 0.04 -0.18 -0.04 2.71 2.74 1lf6A1 ASP 533 HB3 0.17 -0.05 0.10 -0.04 2.70 2.88 1lf6A1 PRO 534 HA 0.30 0.09 0.41 -0.51 4.44 4.74 1lf6A1 PRO 534 HB2 -0.16 -0.01 0.01 -0.04 2.28 2.09 1lf6A1 PRO 534 HB3 -0.10 0.09 0.05 -0.04 2.02 2.02 1lf6A1 PRO 534 HG2 0.12 -0.08 0.03 -0.04 2.03 2.06 1lf6A1 PRO 534 HG3 0.10 0.20 0.02 -0.04 2.03 2.30 1lf6A1 PRO 534 HD2 0.21 0.55 0.23 -0.04 3.68 4.63 1lf6A1 PRO 534 HD3 0.18 0.15 0.02 -0.04 3.65 3.96 1lf6A1 SER 535 H 0.17 0.15 -0.56 -0.55 8.46 7.68 1lf6A1 SER 535 HA -0.07 0.09 0.33 -0.75 4.49 4.09 1lf6A1 SER 535 HB2 -0.02 0.07 -0.00 -0.04 3.95 3.95 1lf6A1 SER 535 HB3 -0.16 -0.09 0.06 -0.04 3.93 3.70 1lf6A1 PHE 536 H 0.33 0.49 -0.39 -0.55 8.34 8.22 1lf6A1 PHE 536 HA -0.13 -0.05 0.35 -0.75 4.62 4.04 1lf6A1 PHE 536 HB2 -0.20 -0.01 0.06 -0.04 3.15 2.96 1lf6A1 PHE 536 HB3 -0.01 0.13 0.07 -0.04 3.06 3.22 1lf6A1 PHE 536 HD2 -0.05 0.07 -0.04 -0.04 7.28 7.23 1lf6A1 PHE 536 HE2 -0.05 0.01 -0.05 -0.04 7.38 7.25 1lf6A1 PHE 536 HZ -0.14 0.04 -0.10 -0.04 7.32 7.08 1lf6A1 LEU 537 H -0.73 0.58 -0.38 -0.55 8.37 7.30 1lf6A1 LEU 537 HA -0.75 0.06 0.36 -0.75 4.35 3.26 1lf6A1 LEU 537 HB2 -0.43 0.10 0.02 -0.04 1.64 1.29 1lf6A1 LEU 537 HB3 -0.34 -0.02 0.06 -0.04 1.64 1.29 1lf6A1 LEU 537 HG -1.23 0.02 0.05 -0.04 1.64 0.43 1lf6A1 LEU 537 HD13 -0.47 0.01 -0.03 -0.04 0.93 0.39 1lf6A1 LEU 537 HD23 -1.00 -0.00 -0.02 -0.04 0.89 -0.17 1lf6A1 GLU 538 H -0.19 0.54 -0.65 -0.55 8.60 7.76 1lf6A1 GLU 538 HA -0.04 0.04 0.40 -0.75 4.29 3.93 1lf6A1 GLU 538 HB2 -0.08 0.04 0.11 -0.04 2.09 2.12 1lf6A1 GLU 538 HB3 -0.03 0.00 0.02 -0.04 1.99 1.94 1lf6A1 GLU 538 HG2 -0.06 0.03 0.07 -0.04 2.34 2.34 1lf6A1 GLU 538 HG3 -0.05 -0.12 0.05 -0.04 2.34 2.18 1lf6A1 LEU 539 H -0.15 0.57 -0.28 -0.55 8.37 7.97 1lf6A1 LEU 539 HA -0.07 0.04 0.35 -0.75 4.35 3.91 1lf6A1 LEU 539 HB2 -0.12 0.09 0.07 -0.04 1.64 1.63 1lf6A1 LEU 539 HB3 -0.08 -0.02 -0.10 -0.04 1.64 1.40 1lf6A1 LEU 539 HG -0.17 -0.06 -0.02 -0.04 1.64 1.34 1lf6A1 LEU 539 HD13 -0.55 0.00 -0.03 -0.04 0.93 0.31 1lf6A1 LEU 539 HD23 -0.13 -0.01 -0.03 -0.04 0.89 0.68 1lf6A1 VAL 540 H -0.07 0.20 -0.26 -0.55 8.24 7.56 1lf6A1 VAL 540 HA 0.06 0.31 0.59 -0.75 4.13 4.34 1lf6A1 VAL 540 HB 0.12 0.01 -0.03 -0.04 2.12 2.18 1lf6A1 VAL 540 HG13 0.12 0.00 -0.24 -0.04 0.97 0.82 1lf6A1 VAL 540 HG23 0.17 0.06 0.03 -0.04 0.95 1.17 1lf6A1 ARG 541 H -0.01 0.47 -0.03 -0.55 8.46 8.34 1lf6A1 ARG 541 HA 0.02 0.04 0.33 -0.75 4.34 3.97 1lf6A1 ARG 541 HB2 -0.00 0.03 0.05 -0.04 1.90 1.93 1lf6A1 ARG 541 HB3 0.02 -0.01 0.11 -0.04 1.80 1.88 1lf6A1 ARG 541 HG2 0.08 -0.07 -0.08 -0.04 1.67 1.56 1lf6A1 ARG 541 HG3 0.09 0.05 -0.24 -0.04 1.67 1.53 1lf6A1 ARG 541 HD2 0.02 0.03 0.00 -0.04 3.22 3.24 1lf6A1 ARG 541 HD3 0.01 0.00 -0.06 -0.04 3.22 3.13 1lf6A1 LEU 542 H 0.03 0.47 -0.36 -0.55 8.37 7.97 1lf6A1 LEU 542 HA 0.08 0.14 0.65 -0.75 4.35 4.47 1lf6A1 LEU 542 HB2 0.02 0.09 0.02 -0.04 1.64 1.73 1lf6A1 LEU 542 HB3 0.04 -0.03 0.07 -0.04 1.64 1.67 1lf6A1 LEU 542 HG 0.07 -0.05 -0.11 -0.04 1.64 1.51 1lf6A1 LEU 542 HD13 -0.00 -0.01 -0.23 -0.04 0.93 0.65 1lf6A1 LEU 542 HD23 0.08 0.00 -0.00 -0.04 0.89 0.93 1lf6A1 GLY 543 H 0.09 0.41 -0.46 -0.55 8.43 7.92 1lf6A1 GLY 543 HA2 0.23 0.09 0.26 -0.51 4.01 4.08 1lf6A1 GLY 543 HA3 0.22 -0.01 0.40 -0.51 4.01 4.10 1lf6A1 VAL 544 H 0.04 0.37 -0.01 -0.55 8.24 8.10 1lf6A1 VAL 544 HA -0.02 0.14 0.56 -0.75 4.13 4.05 1lf6A1 VAL 544 HB -0.05 0.01 0.14 -0.04 2.12 2.18 1lf6A1 VAL 544 HG13 -0.19 -0.02 -0.06 -0.04 0.97 0.66 1lf6A1 VAL 544 HG23 -0.06 -0.01 -0.08 -0.04 0.95 0.76 1lf6A1 LYS 545 H 0.03 0.37 -0.05 -0.55 8.42 8.22 1lf6A1 LYS 545 HA 0.04 0.25 0.71 -0.75 4.32 4.57 1lf6A1 LYS 545 HB2 0.02 -0.13 -0.26 -0.04 1.87 1.46 1lf6A1 LYS 545 HB3 0.07 -0.00 -0.04 -0.04 1.79 1.77 1lf6A1 LYS 545 HG2 -0.04 -0.03 -0.41 -0.04 1.46 0.94 1lf6A1 LYS 545 HG3 -0.02 -0.08 -0.12 -0.04 1.46 1.19 1lf6A1 LYS 545 HD2 0.07 -0.09 0.00 -0.04 1.69 1.63 1lf6A1 LYS 545 HD3 0.02 0.25 0.06 -0.04 1.68 1.97 1lf6A1 LYS 545 HE2 -0.02 0.07 -0.04 -0.04 2.99 2.96 1lf6A1 LYS 545 HE3 0.08 -0.12 -0.06 -0.04 2.99 2.85 1lf6A1 SER 546 H 0.06 0.14 0.10 -0.55 8.46 8.21 1lf6A1 SER 546 HA 0.09 0.18 0.58 -0.75 4.49 4.60 1lf6A1 SER 546 HB2 0.06 -0.13 0.08 -0.04 3.95 3.91 1lf6A1 SER 546 HB3 0.06 -0.00 0.08 -0.04 3.93 4.02 1lf6A1 ALA 547 H 0.10 0.28 0.14 -0.55 8.40 8.37 1lf6A1 ALA 547 HA 0.27 0.01 0.32 -0.75 4.34 4.18 1lf6A1 ALA 547 HB3 -0.10 0.05 -0.08 -0.04 1.41 1.23 1lf6A1 ASP 548 H 0.08 0.07 -0.38 -0.55 8.40 7.62 1lf6A1 ASP 548 HA 0.12 0.23 0.77 -0.75 4.63 4.99 1lf6A1 ASP 548 HB2 0.06 -0.00 0.12 -0.04 2.71 2.84 1lf6A1 ASP 548 HB3 0.05 0.06 -0.02 -0.04 2.70 2.75 1lf6A1 ASP 549 H 0.11 0.49 -0.37 -0.55 8.40 8.08 1lf6A1 ASP 549 HA 0.05 0.15 0.48 -0.75 4.63 4.55 1lf6A1 ASP 549 HB2 0.07 0.03 0.18 -0.04 2.71 2.95 1lf6A1 ASP 549 HB3 0.12 -0.07 0.14 -0.04 2.70 2.84 1lf6A1 PRO 550 HA 0.06 0.07 0.39 -0.51 4.44 4.45 1lf6A1 PRO 550 HB2 0.02 0.03 0.01 -0.04 2.28 2.30 1lf6A1 PRO 550 HB3 0.03 0.08 0.13 -0.04 2.02 2.23 1lf6A1 PRO 550 HG2 -0.02 -0.02 0.07 -0.04 2.03 2.01 1lf6A1 PRO 550 HG3 0.00 0.09 0.09 -0.04 2.03 2.17 1lf6A1 PRO 550 HD2 0.01 0.06 0.27 -0.04 3.68 3.98 1lf6A1 PRO 550 HD3 0.03 0.26 0.26 -0.04 3.65 4.16 1lf6A1 LYS 551 H -0.03 0.11 -0.40 -0.55 8.42 7.54 1lf6A1 LYS 551 HA -0.07 0.13 0.41 -0.75 4.32 4.04 1lf6A1 LYS 551 HB2 -0.13 -0.01 -0.01 -0.04 1.87 1.68 1lf6A1 LYS 551 HB3 -0.87 -0.01 -0.06 -0.04 1.79 0.82 1lf6A1 LYS 551 HG2 -0.89 0.05 -0.07 -0.04 1.46 0.52 1lf6A1 LYS 551 HG3 -0.33 -0.01 -0.02 -0.04 1.46 1.06 1lf6A1 LYS 551 HD2 -0.41 0.00 -0.03 -0.04 1.69 1.21 1lf6A1 LYS 551 HD3 -1.65 -0.01 -0.06 -0.04 1.68 -0.08 1lf6A1 LYS 551 HE2 -0.37 0.00 -0.04 -0.04 2.99 2.54 1lf6A1 LYS 551 HE3 -0.64 0.03 -0.07 -0.04 2.99 2.28 1lf6A1 ILE 552 H 0.15 0.27 -0.21 -0.55 8.25 7.91 1lf6A1 ILE 552 HA 0.46 -0.01 0.41 -0.75 4.18 4.28 1lf6A1 ILE 552 HB 0.19 0.25 0.06 -0.04 1.89 2.35 1lf6A1 ILE 552 HG12 0.23 -0.10 -0.01 -0.04 1.49 1.56 1lf6A1 ILE 552 HG13 0.17 0.16 -0.09 -0.04 1.21 1.41 1lf6A1 ILE 552 HG23 0.14 -0.01 -0.16 -0.04 0.93 0.86 1lf6A1 ILE 552 HD13 0.26 -0.03 -0.11 -0.04 0.88 0.97 1lf6A1 LEU 553 H 0.13 0.45 -0.17 -0.55 8.37 8.24 1lf6A1 LEU 553 HA 0.12 0.04 0.36 -0.75 4.35 4.12 1lf6A1 LEU 553 HB2 0.09 0.04 0.06 -0.04 1.64 1.80 1lf6A1 LEU 553 HB3 0.09 -0.01 -0.04 -0.04 1.64 1.63 1lf6A1 LEU 553 HG 0.10 0.02 -0.05 -0.04 1.64 1.66 1lf6A1 LEU 553 HD13 0.15 -0.01 -0.02 -0.04 0.93 1.01 1lf6A1 LEU 553 HD23 0.14 -0.01 -0.27 -0.04 0.89 0.71 1lf6A1 ASN 554 H 0.10 0.52 -0.26 -0.55 8.53 8.34 1lf6A1 ASN 554 HA 0.07 -0.00 0.40 -0.75 4.76 4.48 1lf6A1 ASN 554 HB2 0.15 0.02 0.11 -0.04 2.88 3.13 1lf6A1 ASN 554 HB3 0.11 0.27 0.02 -0.04 2.79 3.15 1lf6A1 ASN 554 HD21 0.08 -0.05 -0.05 -0.04 7.03 6.97 1lf6A1 ASN 554 HD22 0.19 -0.04 -0.09 -0.04 7.74 7.76 1lf6A1 THR 555 H 0.08 0.42 -0.24 -0.55 8.28 7.98 1lf6A1 THR 555 HA -0.06 0.04 0.50 -0.75 4.39 4.12 1lf6A1 THR 555 HB -0.44 0.14 0.16 -0.04 4.32 4.14 1lf6A1 THR 555 HG23 -1.06 0.00 0.00 -0.04 1.22 0.13 1lf6A1 LEU 556 H 0.08 0.59 -0.16 -0.55 8.37 8.35 1lf6A1 LEU 556 HA 0.14 -0.07 0.34 -0.75 4.35 4.01 1lf6A1 LEU 556 HB2 0.10 0.17 0.19 -0.04 1.64 2.06 1lf6A1 LEU 556 HB3 0.09 0.04 -0.03 -0.04 1.64 1.69 1lf6A1 LEU 556 HG 0.02 -0.04 -0.01 -0.04 1.64 1.57 1lf6A1 LEU 556 HD13 -0.06 -0.01 -0.02 -0.04 0.93 0.79 1lf6A1 LEU 556 HD23 -0.05 0.01 -0.07 -0.04 0.89 0.73 1lf6A1 LYS 557 H 0.05 0.47 -0.31 -0.55 8.42 8.07 1lf6A1 LYS 557 HA 0.07 0.02 0.37 -0.75 4.32 4.02 1lf6A1 LYS 557 HB2 0.03 0.18 0.14 -0.04 1.87 2.17 1lf6A1 LYS 557 HB3 0.03 -0.07 0.02 -0.04 1.79 1.73 1lf6A1 LYS 557 HG2 0.06 -0.05 0.02 -0.04 1.46 1.45 1lf6A1 LYS 557 HG3 0.06 0.31 0.10 -0.04 1.46 1.89 1lf6A1 LYS 557 HD2 0.05 -0.00 0.03 -0.04 1.69 1.72 1lf6A1 LYS 557 HD3 0.04 -0.04 0.00 -0.04 1.68 1.65 1lf6A1 LYS 557 HE2 0.05 -0.02 -0.03 -0.04 2.99 2.95 1lf6A1 LYS 557 HE3 0.06 -0.01 -0.04 -0.04 2.99 2.96 1lf6A1 VAL 558 H -0.05 0.42 -0.16 -0.55 8.24 7.90 1lf6A1 VAL 558 HA -0.10 0.02 0.43 -0.75 4.13 3.73 1lf6A1 VAL 558 HB -0.33 0.11 0.09 -0.04 2.12 1.95 1lf6A1 VAL 558 HG13 -0.60 -0.03 -0.19 -0.04 0.97 0.11 1lf6A1 VAL 558 HG23 -0.26 0.04 -0.11 -0.04 0.95 0.58 1lf6A1 VAL 559 H -0.04 0.69 -0.08 -0.55 8.24 8.27 1lf6A1 VAL 559 HA 0.05 -0.02 0.37 -0.75 4.13 3.77 1lf6A1 VAL 559 HB 0.13 0.12 0.08 -0.04 2.12 2.41 1lf6A1 VAL 559 HG13 0.25 -0.02 -0.24 -0.04 0.97 0.92 1lf6A1 VAL 559 HG23 0.04 0.00 -0.14 -0.04 0.95 0.81 1lf6A1 ASP 560 H 0.15 0.73 -0.09 -0.55 8.40 8.64 1lf6A1 ASP 560 HA 0.32 -0.02 0.43 -0.75 4.63 4.60 1lf6A1 ASP 560 HB2 0.16 0.13 0.08 -0.04 2.71 3.03 1lf6A1 ASP 560 HB3 0.17 -0.03 0.02 -0.04 2.70 2.82 1lf6A1 SER 561 H 0.05 0.32 -0.41 -0.55 8.46 7.87 1lf6A1 SER 561 HA 0.03 0.08 0.57 -0.75 4.49 4.41 1lf6A1 SER 561 HB2 -0.01 0.03 0.13 -0.04 3.95 4.05 1lf6A1 SER 561 HB3 -0.00 -0.07 0.11 -0.04 3.93 3.92 1lf6A1 THR 562 H 0.03 0.22 -0.29 -0.55 8.28 7.70 1lf6A1 THR 562 HA -0.01 0.26 1.16 -0.75 4.39 5.05 1lf6A1 THR 562 HB -0.07 -0.08 0.06 -0.04 4.32 4.20 1lf6A1 THR 562 HG23 -0.07 0.03 -0.07 -0.04 1.22 1.07 1lf6A1 ILE 563 H 0.12 0.67 0.17 -0.55 8.25 8.66 1lf6A1 ILE 563 HA 0.21 0.27 0.98 -0.75 4.18 4.88 1lf6A1 ILE 563 HB 0.32 -0.21 0.15 -0.04 1.89 2.12 1lf6A1 ILE 563 HG12 0.15 0.06 0.05 -0.04 1.49 1.72 1lf6A1 ILE 563 HG13 0.38 0.04 -0.11 -0.04 1.21 1.48 1lf6A1 ILE 563 HG23 -0.02 -0.03 -0.29 -0.04 0.93 0.55 1lf6A1 ILE 563 HD13 0.17 0.01 -0.19 -0.04 0.88 0.83 1lf6A1 LYS 564 H 0.03 0.27 -0.04 -0.55 8.42 8.12 1lf6A1 LYS 564 HA -0.84 0.15 0.97 -0.75 4.32 3.85 1lf6A1 LYS 564 HB2 0.03 -0.10 0.04 -0.04 1.87 1.79 1lf6A1 LYS 564 HB3 -0.08 0.31 0.19 -0.04 1.79 2.17 1lf6A1 LYS 564 HG2 -0.48 -0.02 -0.27 -0.04 1.46 0.65 1lf6A1 LYS 564 HG3 -1.53 -0.02 -0.02 -0.04 1.46 -0.15 1lf6A1 LYS 564 HD2 0.28 -0.05 -0.04 -0.04 1.69 1.84 1lf6A1 LYS 564 HD3 -0.00 0.07 -0.04 -0.04 1.68 1.66 1lf6A1 LYS 564 HE2 -0.18 -0.02 -0.13 -0.04 2.99 2.62 1lf6A1 LYS 564 HE3 -0.15 -0.03 -0.09 -0.04 2.99 2.68 1lf6A1 VAL 565 H -0.62 0.65 0.30 -0.55 8.24 8.02 1lf6A1 VAL 565 HA -0.16 0.19 0.79 -0.75 4.13 4.19 1lf6A1 VAL 565 HB -0.28 -0.07 -0.02 -0.04 2.12 1.72 1lf6A1 VAL 565 HG13 -0.07 -0.02 -0.25 -0.04 0.97 0.59 1lf6A1 VAL 565 HG23 -0.07 -0.01 -0.29 -0.04 0.95 0.54 1lf6A1 ASP 566 H -0.12 0.20 0.04 -0.55 8.40 7.97 1lf6A1 ASP 566 HA -0.14 0.05 0.65 -0.75 4.63 4.43 1lf6A1 ASP 566 HB2 -0.07 -0.02 0.15 -0.04 2.71 2.73 1lf6A1 ASP 566 HB3 -0.07 0.08 -0.02 -0.04 2.70 2.65 1lf6A1 THR 567 H -0.03 0.51 0.19 -0.55 8.28 8.40 1lf6A1 THR 567 HA 0.00 0.24 0.54 -0.75 4.39 4.41 1lf6A1 THR 567 HB 0.10 0.01 -0.08 -0.04 4.32 4.30 1lf6A1 THR 567 HG23 0.04 0.03 -0.04 -0.04 1.22 1.22 1lf6A1 PRO 568 HA -0.03 0.10 0.44 -0.51 4.44 4.43 1lf6A1 PRO 568 HB2 -0.02 0.02 0.09 -0.04 2.28 2.33 1lf6A1 PRO 568 HB3 -0.01 -0.00 0.11 -0.04 2.02 2.07 1lf6A1 PRO 568 HG2 0.02 0.14 -0.10 -0.04 2.03 2.05 1lf6A1 PRO 568 HG3 0.01 0.10 0.14 -0.04 2.03 2.24 1lf6A1 PRO 568 HD2 0.04 -0.00 -0.17 -0.04 3.68 3.51 1lf6A1 PRO 568 HD3 0.01 0.17 0.11 -0.04 3.65 3.90 1lf6A1 LYS 569 H -0.02 -0.03 -0.78 -0.55 8.42 7.03 1lf6A1 LYS 569 HA -0.15 0.17 0.75 -0.75 4.32 4.34 1lf6A1 LYS 569 HB2 -0.20 -0.04 -0.13 -0.04 1.87 1.45 1lf6A1 LYS 569 HB3 -0.47 0.01 -0.05 -0.04 1.79 1.23 1lf6A1 LYS 569 HG2 0.01 -0.05 -0.25 -0.04 1.46 1.13 1lf6A1 LYS 569 HG3 0.12 0.08 -0.07 -0.04 1.46 1.55 1lf6A1 LYS 569 HD2 -0.09 0.09 -0.09 -0.04 1.69 1.56 1lf6A1 LYS 569 HD3 -0.06 -0.03 -0.07 -0.04 1.68 1.47 1lf6A1 LYS 569 HE2 0.01 -0.04 -0.06 -0.04 2.99 2.86 1lf6A1 LYS 569 HE3 0.06 0.03 -0.13 -0.04 2.99 2.90 1lf6A1 GLY 570 H -0.09 0.37 -0.16 -0.55 8.43 8.00 1lf6A1 GLY 570 HA2 -0.13 0.01 0.24 -0.51 4.01 3.63 1lf6A1 GLY 570 HA3 -0.23 0.20 0.83 -0.51 4.01 4.30 1lf6A1 PRO 571 HA -0.18 0.24 0.91 -0.51 4.44 4.90 1lf6A1 PRO 571 HB2 -0.52 0.01 -0.03 -0.04 2.28 1.70 1lf6A1 PRO 571 HB3 -0.18 0.00 0.03 -0.04 2.02 1.84 1lf6A1 PRO 571 HG2 0.16 -0.00 0.05 -0.04 2.03 2.20 1lf6A1 PRO 571 HG3 -0.06 0.02 0.01 -0.04 2.03 1.96 1lf6A1 PRO 571 HD2 -0.12 0.14 0.20 -0.04 3.68 3.87 1lf6A1 PRO 571 HD3 -0.12 0.11 0.14 -0.04 3.65 3.74 1lf6A1 SER 572 H -0.47 0.63 0.40 -0.55 8.46 8.47 1lf6A1 SER 572 HA 0.33 0.06 0.46 -0.75 4.49 4.59 1lf6A1 SER 572 HB2 0.03 0.13 -0.31 -0.04 3.95 3.76 1lf6A1 SER 572 HB3 -0.17 -0.01 -0.13 -0.04 3.93 3.57 1lf6A1 TRP 573 H 0.39 0.14 0.13 -0.55 7.97 8.08 1lf6A1 TRP 573 HA -0.09 0.36 1.11 -0.75 4.62 5.24 1lf6A1 TRP 573 HB2 -0.00 -0.14 -0.01 -0.04 3.23 3.03 1lf6A1 TRP 573 HB3 0.01 0.18 0.06 -0.04 3.23 3.44 1lf6A1 TRP 573 HD1 0.06 0.04 -0.31 -0.04 7.22 6.97 1lf6A1 TRP 573 HE1 0.07 -0.00 -0.16 -0.04 10.20 10.06 1lf6A1 TRP 573 HE3 0.06 -0.15 -0.31 -0.04 7.59 7.16 1lf6A1 TRP 573 HZ2 0.14 0.03 -0.09 -0.04 7.44 7.47 1lf6A1 TRP 573 HZ3 0.25 0.09 -0.18 -0.04 7.13 7.25 1lf6A1 TRP 573 HH2 0.43 0.03 -0.11 -0.04 7.19 7.50 1lf6A1 TYR 574 H 0.19 0.52 0.24 -0.55 8.29 8.70 1lf6A1 TYR 574 HA -0.05 0.20 0.59 -0.75 4.56 4.54 1lf6A1 TYR 574 HB2 -0.07 -0.00 -0.01 -0.04 3.06 2.94 1lf6A1 TYR 574 HB3 -0.20 -0.07 0.06 -0.04 2.98 2.73 1lf6A1 TYR 574 HD2 -0.06 0.04 -0.12 -0.04 7.15 6.96 1lf6A1 TYR 574 HE2 -0.05 0.09 -0.06 -0.04 6.85 6.78 1lf6A1 ARG 575 H -0.39 0.18 0.16 -0.55 8.46 7.86 1lf6A1 ARG 575 HA -0.27 0.03 0.44 -0.75 4.34 3.78 1lf6A1 ARG 575 HB2 -1.02 0.02 0.06 -0.04 1.90 0.92 1lf6A1 ARG 575 HB3 -1.31 -0.07 0.06 -0.04 1.80 0.44 1lf6A1 ARG 575 HG2 -2.62 -0.03 0.04 -0.04 1.67 -0.98 1lf6A1 ARG 575 HG3 -1.46 0.05 0.12 -0.04 1.67 0.34 1lf6A1 ARG 575 HD2 -0.68 0.05 0.03 -0.04 3.22 2.58 1lf6A1 ARG 575 HD3 -0.88 -0.02 0.04 -0.04 3.22 2.31 1lf6A1 TYR 576 H -0.35 0.20 -0.05 -0.55 8.29 7.54 1lf6A1 TYR 576 HA 0.03 0.23 0.44 -0.75 4.56 4.51 1lf6A1 TYR 576 HB2 0.03 0.06 0.09 -0.04 3.06 3.20 1lf6A1 TYR 576 HB3 0.11 0.07 0.17 -0.04 2.98 3.29 1lf6A1 TYR 576 HD2 -0.00 0.27 -0.40 -0.04 7.15 6.98 1lf6A1 TYR 576 HE2 -0.10 0.05 -0.19 -0.04 6.85 6.56 1lf6A1 ASN 577 H 0.07 0.19 0.20 -0.55 8.53 8.44 1lf6A1 ASN 577 HA -0.32 0.06 0.46 -0.75 4.76 4.20 1lf6A1 ASN 577 HB2 -0.39 0.05 -0.01 -0.04 2.88 2.49 1lf6A1 ASN 577 HB3 -0.47 0.07 0.12 -0.04 2.79 2.47 1lf6A1 ASN 577 HD21 -0.08 -0.03 0.04 -0.04 7.03 6.92 1lf6A1 ASN 577 HD22 -0.15 0.08 0.03 -0.04 7.74 7.66 1lf6A1 HIS 578 H -0.48 0.16 0.21 -0.55 8.41 7.76 1lf6A1 HIS 578 HA -0.11 0.08 0.33 -0.75 4.63 4.18 1lf6A1 HIS 578 HB2 -0.14 0.14 0.08 -0.04 3.26 3.30 1lf6A1 HIS 578 HB3 -0.02 0.17 0.17 -0.04 3.20 3.49 1lf6A1 HIS 578 HD2 -0.71 0.01 -0.26 -0.04 6.97 5.97 1lf6A1 HIS 578 HE1 -0.06 0.01 0.01 -0.04 7.75 7.66 1lf6A1 ASP 579 H -0.30 0.21 -0.18 -0.55 8.40 7.58 1lf6A1 ASP 579 HA -0.13 -0.00 0.36 -0.75 4.63 4.11 1lf6A1 ASP 579 HB2 -1.28 0.10 0.08 -0.04 2.71 1.57 1lf6A1 ASP 579 HB3 -0.38 0.04 0.13 -0.04 2.70 2.46 1lf6A1 GLY 580 H 0.11 0.11 0.13 -0.55 8.43 8.24 1lf6A1 GLY 580 HA2 0.05 0.26 0.78 -0.51 4.01 4.58 1lf6A1 GLY 580 HA3 0.12 0.31 0.28 -0.51 4.01 4.21 1lf6A1 TYR 581 H 0.12 0.03 -0.13 -0.55 8.29 7.76 1lf6A1 TYR 581 HA -0.23 0.11 0.38 -0.75 4.56 4.07 1lf6A1 TYR 581 HB2 0.01 0.01 0.04 -0.04 3.06 3.08 1lf6A1 TYR 581 HB3 -0.01 -0.03 0.14 -0.04 2.98 3.04 1lf6A1 TYR 581 HD2 0.04 0.00 -0.03 -0.04 7.15 7.13 1lf6A1 TYR 581 HE2 0.20 -0.00 -0.06 -0.04 6.85 6.95 1lf6A1 GLY 582 H -0.25 0.50 0.02 -0.55 8.43 8.16 1lf6A1 GLY 582 HA2 -0.41 -0.08 0.24 -0.51 4.01 3.26 1lf6A1 GLY 582 HA3 -0.17 0.20 0.20 -0.51 4.01 3.72 1lf6A1 GLU 583 H -0.13 0.02 0.09 -0.55 8.60 8.04 1lf6A1 GLU 583 HA -0.07 0.03 0.30 -0.75 4.29 3.80 1lf6A1 GLU 583 HB2 -0.14 -0.09 0.13 -0.04 2.09 1.95 1lf6A1 GLU 583 HB3 0.28 0.39 0.10 -0.04 1.99 2.71 1lf6A1 GLU 583 HG2 0.30 0.25 0.13 -0.04 2.34 2.98 1lf6A1 GLU 583 HG3 0.09 -0.22 0.14 -0.04 2.34 2.30 1lf6A1 PRO 584 HA 0.06 0.07 0.41 -0.51 4.44 4.48 1lf6A1 PRO 584 HB2 0.05 0.02 0.03 -0.04 2.28 2.33 1lf6A1 PRO 584 HB3 0.03 0.14 0.26 -0.04 2.02 2.40 1lf6A1 PRO 584 HG2 0.07 -0.12 0.06 -0.04 2.03 2.00 1lf6A1 PRO 584 HG3 0.02 0.09 0.04 -0.04 2.03 2.14 1lf6A1 PRO 584 HD2 0.05 0.25 -0.14 -0.04 3.68 3.80 1lf6A1 PRO 584 HD3 -0.01 0.09 0.03 -0.04 3.65 3.71 1lf6A1 SER 585 H 0.16 0.23 -0.02 -0.55 8.46 8.27 1lf6A1 SER 585 HA 0.16 0.25 0.70 -0.75 4.49 4.85 1lf6A1 SER 585 HB2 0.06 -0.05 0.15 -0.04 3.95 4.07 1lf6A1 SER 585 HB3 0.07 0.14 -0.15 -0.04 3.93 3.95 1lf6A1 LYS 586 H 0.02 0.19 0.14 -0.55 8.42 8.22 1lf6A1 LYS 586 HA -0.31 0.10 0.45 -0.75 4.32 3.80 1lf6A1 LYS 586 HB2 -0.29 0.00 0.13 -0.04 1.87 1.67 1lf6A1 LYS 586 HB3 -0.17 0.03 0.04 -0.04 1.79 1.65 1lf6A1 LYS 586 HG2 -0.39 0.03 0.02 -0.04 1.46 1.08 1lf6A1 LYS 586 HG3 -0.48 0.03 0.08 -0.04 1.46 1.05 1lf6A1 LYS 586 HD2 -2.74 -0.00 0.05 -0.04 1.69 -1.05 1lf6A1 LYS 586 HD3 -0.93 -0.02 0.03 -0.04 1.68 0.72 1lf6A1 LYS 586 HE2 -0.58 0.05 0.01 -0.04 2.99 2.42 1lf6A1 LYS 586 HE3 -1.12 0.04 0.02 -0.04 2.99 1.89 1lf6A1 THR 587 H 0.04 0.01 -0.22 -0.55 8.28 7.56 1lf6A1 THR 587 HA 0.05 0.27 0.89 -0.75 4.39 4.84 1lf6A1 THR 587 HB 0.03 0.04 0.13 -0.04 4.32 4.48 1lf6A1 THR 587 HG23 -0.02 -0.00 -0.09 -0.04 1.22 1.07 1lf6A1 GLU 588 H 0.15 0.23 -0.32 -0.55 8.60 8.11 1lf6A1 GLU 588 HA 0.10 0.22 0.99 -0.75 4.29 4.85 1lf6A1 GLU 588 HB2 0.08 -0.16 0.04 -0.04 2.09 2.02 1lf6A1 GLU 588 HB3 0.06 0.13 0.03 -0.04 1.99 2.16 1lf6A1 GLU 588 HG2 0.03 0.11 -0.10 -0.04 2.34 2.34 1lf6A1 GLU 588 HG3 0.05 -0.17 -0.37 -0.04 2.34 1.81 1lf6A1 LEU 589 H 0.17 0.18 0.11 -0.55 8.37 8.28 1lf6A1 LEU 589 HA 0.15 0.05 0.64 -0.75 4.35 4.44 1lf6A1 LEU 589 HB2 0.37 0.08 -0.01 -0.04 1.64 2.04 1lf6A1 LEU 589 HB3 0.17 -0.01 0.05 -0.04 1.64 1.81 1lf6A1 LEU 589 HG 0.21 0.02 -0.09 -0.04 1.64 1.74 1lf6A1 LEU 589 HD13 0.22 0.00 -0.10 -0.04 0.93 1.01 1lf6A1 LEU 589 HD23 0.32 -0.01 -0.03 -0.04 0.89 1.12 1lf6A1 TYR 590 H -0.92 0.03 0.07 -0.55 8.29 6.92 1lf6A1 TYR 590 HA -0.43 0.14 0.42 -0.75 4.56 3.93 1lf6A1 TYR 590 HB2 -1.41 -0.05 -0.31 -0.04 3.06 1.25 1lf6A1 TYR 590 HB3 -3.54 -0.02 -0.01 -0.04 2.98 -0.63 1lf6A1 TYR 590 HD2 -0.70 0.16 -0.18 -0.04 7.15 6.39 1lf6A1 TYR 590 HE2 0.04 0.13 -0.25 -0.04 6.85 6.74 1lf6A1 HIS 591 H -0.52 0.13 0.13 -0.55 8.41 7.60 1lf6A1 HIS 591 HA -0.36 0.24 0.79 -0.75 4.63 4.55 1lf6A1 HIS 591 HB2 -0.19 0.01 0.05 -0.04 3.26 3.09 1lf6A1 HIS 591 HB3 -0.14 0.02 0.18 -0.04 3.20 3.22 1lf6A1 HIS 591 HD2 0.00 0.03 0.04 -0.04 6.97 6.99 1lf6A1 HIS 591 HE1 0.03 -0.14 -0.10 -0.04 7.75 7.49 1lf6A1 GLY 592 H -1.91 0.01 -0.07 -0.55 8.43 5.92 1lf6A1 GLY 592 HA2 -0.21 -0.01 0.29 -0.51 4.01 3.57 1lf6A1 GLY 592 HA3 -0.16 0.28 0.87 -0.51 4.01 4.49 1lf6A1 ALA 593 H -0.23 0.11 -0.06 -0.55 8.40 7.67 1lf6A1 ALA 593 HA 0.12 0.24 0.70 -0.75 4.34 4.64 1lf6A1 ALA 593 HB3 0.02 0.02 -0.08 -0.04 1.41 1.33 1lf6A1 GLY 594 H 0.14 0.39 0.12 -0.55 8.43 8.53 1lf6A1 GLY 594 HA2 0.04 0.07 0.67 -0.51 4.01 4.28 1lf6A1 GLY 594 HA3 0.06 0.10 0.39 -0.51 4.01 4.04 1lf6A1 LYS 595 H 0.01 0.36 -0.52 -0.55 8.42 7.72 1lf6A1 LYS 595 HA 0.02 0.20 0.83 -0.75 4.32 4.61 1lf6A1 LYS 595 HB2 0.05 0.01 -0.23 -0.04 1.87 1.65 1lf6A1 LYS 595 HB3 0.06 0.08 -0.03 -0.04 1.79 1.85 1lf6A1 LYS 595 HG2 0.02 0.09 -0.17 -0.04 1.46 1.36 1lf6A1 LYS 595 HG3 -0.00 0.03 0.03 -0.04 1.46 1.48 1lf6A1 LYS 595 HD2 0.06 0.04 -0.01 -0.04 1.69 1.74 1lf6A1 LYS 595 HD3 0.10 -0.07 -0.06 -0.04 1.68 1.61 1lf6A1 LYS 595 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 1lf6A1 LYS 595 HE3 -0.00 0.01 0.00 -0.04 2.99 2.96 1lf6A1 GLY 596 H -0.02 0.61 -0.26 -0.55 8.43 8.21 1lf6A1 GLY 596 HA2 0.01 0.11 -0.19 -0.51 4.01 3.43 1lf6A1 GLY 596 HA3 -0.00 -0.11 0.00 -0.51 4.01 3.40 1lf6A1 ARG 597 H 0.04 0.05 0.08 -0.55 8.46 8.07 1lf6A1 ARG 597 HA 0.13 0.25 0.82 -0.75 4.34 4.79 1lf6A1 ARG 597 HB2 -0.30 -0.09 0.03 -0.04 1.90 1.50 1lf6A1 ARG 597 HB3 -0.25 0.08 0.15 -0.04 1.80 1.74 1lf6A1 ARG 597 HG2 -0.22 0.06 -0.11 -0.04 1.67 1.37 1lf6A1 ARG 597 HG3 -0.69 -0.12 -0.07 -0.04 1.67 0.75 1lf6A1 ARG 597 HD2 -0.05 -0.17 -0.04 -0.04 3.22 2.92 1lf6A1 ARG 597 HD3 0.06 0.15 -0.27 -0.04 3.22 3.12 1lf6A1 LEU 598 H -0.21 0.36 0.17 -0.55 8.37 8.14 1lf6A1 LEU 598 HA -0.16 0.18 0.46 -0.75 4.35 4.08 1lf6A1 LEU 598 HB2 -0.26 0.17 -0.01 -0.04 1.64 1.50 1lf6A1 LEU 598 HB3 -0.27 -0.02 -0.21 -0.04 1.64 1.10 1lf6A1 LEU 598 HG -0.35 -0.02 -0.37 -0.04 1.64 0.86 1lf6A1 LEU 598 HD13 -0.92 -0.00 -0.30 -0.04 0.93 -0.34 1lf6A1 LEU 598 HD23 -0.19 0.00 -0.19 -0.04 0.89 0.47 1lf6A1 TRP 599 H 0.17 0.51 0.27 -0.55 7.97 8.38 1lf6A1 TRP 599 HA -0.27 0.45 1.15 -0.75 4.62 5.20 1lf6A1 TRP 599 HB2 -0.16 0.01 0.24 -0.04 3.23 3.28 1lf6A1 TRP 599 HB3 -0.22 -0.18 0.14 -0.04 3.23 2.93 1lf6A1 TRP 599 HD1 -0.23 0.18 -0.21 -0.04 7.22 6.93 1lf6A1 TRP 599 HE1 -0.21 -0.02 -0.02 -0.04 10.20 9.91 1lf6A1 TRP 599 HE3 -0.28 -0.09 0.04 -0.04 7.59 7.21 1lf6A1 TRP 599 HZ2 -0.01 0.02 -0.00 -0.04 7.44 7.40 1lf6A1 TRP 599 HZ3 -0.06 -0.04 -0.00 -0.04 7.13 7.00 1lf6A1 TRP 599 HH2 -0.02 0.01 -0.01 -0.04 7.19 7.13 1lf6A1 PRO 600 HA -0.09 0.11 0.41 -0.51 4.44 4.36 1lf6A1 PRO 600 HB2 -0.05 0.01 -0.04 -0.04 2.28 2.16 1lf6A1 PRO 600 HB3 -0.26 0.14 0.03 -0.04 2.02 1.89 1lf6A1 PRO 600 HG2 -0.25 0.12 0.03 -0.04 2.03 1.88 1lf6A1 PRO 600 HG3 -0.31 0.08 -0.09 -0.04 2.03 1.67 1lf6A1 PRO 600 HD2 -0.40 0.28 0.04 -0.04 3.68 3.56 1lf6A1 PRO 600 HD3 -0.54 0.14 -0.11 -0.04 3.65 3.10 1lf6A1 LEU 601 H -0.03 0.20 -0.38 -0.55 8.37 7.61 1lf6A1 LEU 601 HA -0.12 0.08 0.38 -0.75 4.35 3.94 1lf6A1 LEU 601 HB2 -0.21 0.00 0.05 -0.04 1.64 1.44 1lf6A1 LEU 601 HB3 0.09 0.00 0.05 -0.04 1.64 1.75 1lf6A1 LEU 601 HG -0.41 0.00 -0.34 -0.04 1.64 0.85 1lf6A1 LEU 601 HD13 -0.88 -0.01 -0.12 -0.04 0.93 -0.12 1lf6A1 LEU 601 HD23 -1.17 -0.01 -0.08 -0.04 0.89 -0.40 1lf6A1 LEU 602 H 0.10 0.36 -0.16 -0.55 8.37 8.12 1lf6A1 LEU 602 HA -0.06 0.00 0.44 -0.75 4.35 3.97 1lf6A1 LEU 602 HB2 0.18 0.14 0.13 -0.04 1.64 2.04 1lf6A1 LEU 602 HB3 0.02 0.00 0.03 -0.04 1.64 1.65 1lf6A1 LEU 602 HG -0.02 -0.07 0.02 -0.04 1.64 1.52 1lf6A1 LEU 602 HD13 -0.14 0.04 -0.19 -0.04 0.93 0.61 1lf6A1 LEU 602 HD23 0.01 -0.02 -0.12 -0.04 0.89 0.72 1lf6A1 THR 603 H 0.18 0.31 -0.34 -0.55 8.28 7.88 1lf6A1 THR 603 HA 0.59 0.06 0.48 -0.75 4.39 4.76 1lf6A1 THR 603 HB 0.32 0.16 0.20 -0.04 4.32 4.96 1lf6A1 THR 603 HG23 0.48 -0.00 -0.04 -0.04 1.22 1.61 1lf6A1 GLY 604 H 0.10 0.48 -0.10 -0.55 8.43 8.36 1lf6A1 GLY 604 HA2 0.09 0.07 0.38 -0.51 4.01 4.04 1lf6A1 GLY 604 HA3 0.04 0.06 0.25 -0.51 4.01 3.85 1lf6A1 GLU 605 H -0.06 0.46 -0.11 -0.55 8.60 8.34 1lf6A1 GLU 605 HA -0.07 0.04 0.37 -0.75 4.29 3.88 1lf6A1 GLU 605 HB2 -0.14 0.03 0.07 -0.04 2.09 2.02 1lf6A1 GLU 605 HB3 -0.13 -0.03 -0.07 -0.04 1.99 1.72 1lf6A1 GLU 605 HG2 -0.04 -0.00 -0.03 -0.04 2.34 2.22 1lf6A1 GLU 605 HG3 -0.13 0.14 -0.03 -0.04 2.34 2.28 1lf6A1 ARG 606 H -0.24 0.47 -0.37 -0.55 8.46 7.77 1lf6A1 ARG 606 HA -0.35 0.00 0.43 -0.75 4.34 3.67 1lf6A1 ARG 606 HB2 -1.04 -0.01 0.07 -0.04 1.90 0.89 1lf6A1 ARG 606 HB3 -0.46 0.17 0.13 -0.04 1.80 1.59 1lf6A1 ARG 606 HG2 -0.30 0.02 -0.08 -0.04 1.67 1.26 1lf6A1 ARG 606 HG3 -0.74 0.00 -0.35 -0.04 1.67 0.54 1lf6A1 ARG 606 HD2 -0.06 0.02 -0.04 -0.04 3.22 3.09 1lf6A1 ARG 606 HD3 -0.27 -0.07 0.08 -0.04 3.22 2.92 1lf6A1 GLY 607 H -0.25 0.48 -0.24 -0.55 8.43 7.87 1lf6A1 GLY 607 HA2 -0.80 0.02 0.42 -0.51 4.01 3.14 1lf6A1 GLY 607 HA3 -0.16 0.07 0.30 -0.51 4.01 3.72 1lf6A1 MET 608 H -0.12 0.47 -0.26 -0.55 8.47 8.01 1lf6A1 MET 608 HA -0.09 0.02 0.37 -0.75 4.52 4.08 1lf6A1 MET 608 HB2 -0.06 0.13 0.12 -0.04 2.15 2.30 1lf6A1 MET 608 HB3 -0.04 -0.05 -0.02 -0.04 2.03 1.87 1lf6A1 MET 608 HG2 -0.04 0.18 -0.01 -0.04 2.63 2.72 1lf6A1 MET 608 HG3 -0.02 -0.06 -0.06 -0.04 2.56 2.38 1lf6A1 MET 608 HE3 -0.03 -0.02 -0.02 -0.04 2.10 1.99 1lf6A1 TYR 609 H -0.06 0.41 -0.27 -0.55 8.29 7.82 1lf6A1 TYR 609 HA -0.12 0.00 0.42 -0.75 4.56 4.11 1lf6A1 TYR 609 HB2 -0.21 -0.06 0.10 -0.04 3.06 2.84 1lf6A1 TYR 609 HB3 -0.25 0.13 0.19 -0.04 2.98 3.01 1lf6A1 TYR 609 HD2 -0.14 0.00 -0.07 -0.04 7.15 6.91 1lf6A1 TYR 609 HE2 -0.01 0.01 -0.03 -0.04 6.85 6.78 1lf6A1 GLU 610 H -0.18 0.57 -0.18 -0.55 8.60 8.27 1lf6A1 GLU 610 HA -0.32 0.00 0.30 -0.75 4.29 3.51 1lf6A1 GLU 610 HB2 -0.20 0.12 0.08 -0.04 2.09 2.05 1lf6A1 GLU 610 HB3 -0.04 0.00 -0.15 -0.04 1.99 1.76 1lf6A1 GLU 610 HG2 -0.25 0.23 0.01 -0.04 2.34 2.29 1lf6A1 GLU 610 HG3 -0.20 -0.05 -0.05 -0.04 2.34 2.00 1lf6A1 ILE 611 H -0.16 0.40 -0.36 -0.55 8.25 7.58 1lf6A1 ILE 611 HA -0.07 0.19 0.36 -0.75 4.18 3.90 1lf6A1 ILE 611 HB -0.10 0.10 0.03 -0.04 1.89 1.88 1lf6A1 ILE 611 HG12 -0.04 0.00 -0.06 -0.04 1.49 1.36 1lf6A1 ILE 611 HG13 -0.07 0.20 0.00 -0.04 1.21 1.30 1lf6A1 ILE 611 HG23 -0.06 -0.01 -0.38 -0.04 0.93 0.44 1lf6A1 ILE 611 HD13 -0.08 -0.01 -0.27 -0.04 0.88 0.48 1lf6A1 ALA 612 H -0.20 0.41 -0.18 -0.55 8.40 7.88 1lf6A1 ALA 612 HA -0.12 -0.00 0.41 -0.75 4.34 3.87 1lf6A1 ALA 612 HB3 -0.16 0.02 0.11 -0.04 1.41 1.34 1lf6A1 ALA 613 H -0.41 0.38 -0.48 -0.55 8.40 7.35 1lf6A1 ALA 613 HA -0.16 -0.01 0.50 -0.75 4.34 3.91 1lf6A1 ALA 613 HB3 -0.37 -0.01 0.05 -0.04 1.41 1.04 1lf6A1 GLY 614 H -0.11 0.56 -0.61 -0.55 8.43 7.72 1lf6A1 GLY 614 HA2 -0.05 0.07 0.30 -0.51 4.01 3.82 1lf6A1 GLY 614 HA3 -0.04 -0.02 0.42 -0.51 4.01 3.85 1lf6A1 LYS 615 H -0.07 0.55 -0.08 -0.55 8.42 8.26 1lf6A1 LYS 615 HA -0.01 0.17 0.95 -0.75 4.32 4.69 1lf6A1 LYS 615 HB2 -0.00 -0.01 -0.11 -0.04 1.87 1.71 1lf6A1 LYS 615 HB3 0.04 -0.09 0.06 -0.04 1.79 1.75 1lf6A1 LYS 615 HG2 -0.00 0.07 -0.25 -0.04 1.46 1.24 1lf6A1 LYS 615 HG3 -0.03 0.11 -0.31 -0.04 1.46 1.18 1lf6A1 LYS 615 HD2 0.06 -0.05 -0.05 -0.04 1.69 1.60 1lf6A1 LYS 615 HD3 0.05 -0.05 -0.03 -0.04 1.68 1.61 1lf6A1 LYS 615 HE2 0.03 0.02 -0.04 -0.04 2.99 2.96 1lf6A1 LYS 615 HE3 0.06 -0.07 -0.03 -0.04 2.99 2.91 1lf6A1 ASP 616 H 0.03 0.11 0.12 -0.55 8.40 8.11 1lf6A1 ASP 616 HA 0.04 0.10 0.47 -0.75 4.63 4.49 1lf6A1 ASP 616 HB2 0.03 0.07 0.14 -0.04 2.71 2.91 1lf6A1 ASP 616 HB3 0.05 -0.00 0.11 -0.04 2.70 2.82 1lf6A1 ALA 617 H 0.06 0.19 0.21 -0.55 8.40 8.31 1lf6A1 ALA 617 HA 0.31 0.22 0.87 -0.75 4.34 4.98 1lf6A1 ALA 617 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 1lf6A1 THR 618 H 0.06 0.11 0.01 -0.55 8.28 7.91 1lf6A1 THR 618 HA 0.04 0.06 0.38 -0.75 4.39 4.11 1lf6A1 THR 618 HB 0.02 0.05 0.07 -0.04 4.32 4.42 1lf6A1 THR 618 HG23 0.02 0.01 -0.06 -0.04 1.22 1.14 1lf6A1 PRO 619 HA -0.07 0.08 0.43 -0.51 4.44 4.37 1lf6A1 PRO 619 HB2 -0.30 0.07 -0.04 -0.04 2.28 1.97 1lf6A1 PRO 619 HB3 -0.10 0.05 0.05 -0.04 2.02 1.98 1lf6A1 PRO 619 HG2 -0.14 0.05 -0.09 -0.04 2.03 1.82 1lf6A1 PRO 619 HG3 -0.03 0.09 -0.04 -0.04 2.03 2.01 1lf6A1 PRO 619 HD2 0.08 -0.03 -0.38 -0.04 3.68 3.31 1lf6A1 PRO 619 HD3 0.01 0.13 -0.01 -0.04 3.65 3.74 1lf6A1 TYR 620 H 0.13 0.39 -0.35 -0.55 8.29 7.90 1lf6A1 TYR 620 HA 0.11 0.10 0.56 -0.75 4.56 4.57 1lf6A1 TYR 620 HB2 0.05 0.15 0.15 -0.04 3.06 3.37 1lf6A1 TYR 620 HB3 0.09 0.02 0.04 -0.04 2.98 3.09 1lf6A1 TYR 620 HD2 0.16 0.04 0.07 -0.04 7.15 7.37 1lf6A1 TYR 620 HE2 0.34 0.03 -0.05 -0.04 6.85 7.13 1lf6A1 VAL 621 H 0.13 0.39 -0.05 -0.55 8.24 8.17 1lf6A1 VAL 621 HA 0.16 0.01 0.45 -0.75 4.13 4.00 1lf6A1 VAL 621 HB 0.08 0.10 0.20 -0.04 2.12 2.47 1lf6A1 VAL 621 HG13 0.21 -0.01 -0.11 -0.04 0.97 1.03 1lf6A1 VAL 621 HG23 0.00 0.01 -0.12 -0.04 0.95 0.81 1lf6A1 LYS 622 H 0.05 0.73 0.02 -0.55 8.42 8.66 1lf6A1 LYS 622 HA 0.04 -0.01 0.37 -0.75 4.32 3.96 1lf6A1 LYS 622 HB2 -0.04 0.06 0.11 -0.04 1.87 1.96 1lf6A1 LYS 622 HB3 -0.04 0.01 0.01 -0.04 1.79 1.73 1lf6A1 LYS 622 HG2 0.02 0.09 0.03 -0.04 1.46 1.57 1lf6A1 LYS 622 HG3 -0.01 -0.03 -0.04 -0.04 1.46 1.35 1lf6A1 LYS 622 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 1lf6A1 LYS 622 HD3 0.04 -0.03 0.01 -0.04 1.68 1.65 1lf6A1 LYS 622 HE2 0.04 -0.00 -0.01 -0.04 2.99 2.98 1lf6A1 LYS 622 HE3 0.06 -0.02 -0.02 -0.04 2.99 2.97 1lf6A1 ALA 623 H -0.04 0.38 -0.33 -0.55 8.40 7.86 1lf6A1 ALA 623 HA -0.32 0.27 0.53 -0.75 4.34 4.07 1lf6A1 ALA 623 HB3 -0.12 0.01 0.13 -0.04 1.41 1.39 1lf6A1 MET 624 H 0.11 0.50 -0.16 -0.55 8.47 8.38 1lf6A1 MET 624 HA 0.30 -0.02 0.41 -0.75 4.52 4.45 1lf6A1 MET 624 HB2 0.33 0.16 0.16 -0.04 2.15 2.76 1lf6A1 MET 624 HB3 0.21 -0.09 -0.01 -0.04 2.03 2.10 1lf6A1 MET 624 HG2 0.25 -0.05 0.03 -0.04 2.63 2.82 1lf6A1 MET 624 HG3 0.25 0.22 0.03 -0.04 2.56 3.01 1lf6A1 MET 624 HE3 0.07 0.01 -0.09 -0.04 2.10 2.05 1lf6A1 GLU 625 H 0.04 0.45 -0.29 -0.55 8.60 8.25 1lf6A1 GLU 625 HA -0.17 -0.05 0.39 -0.75 4.29 3.71 1lf6A1 GLU 625 HB2 -0.01 0.17 0.16 -0.04 2.09 2.37 1lf6A1 GLU 625 HB3 -0.05 -0.05 0.02 -0.04 1.99 1.87 1lf6A1 GLU 625 HG2 -0.11 -0.13 0.01 -0.04 2.34 2.07 1lf6A1 GLU 625 HG3 0.21 0.16 0.03 -0.04 2.34 2.70 1lf6A1 LYS 626 H -0.15 0.47 -0.13 -0.55 8.42 8.06 1lf6A1 LYS 626 HA -0.08 0.02 0.48 -0.75 4.32 3.99 1lf6A1 LYS 626 HB2 -0.34 0.19 0.18 -0.04 1.87 1.85 1lf6A1 LYS 626 HB3 -0.16 -0.07 0.12 -0.04 1.79 1.63 1lf6A1 LYS 626 HG2 -0.09 -0.11 0.04 -0.04 1.46 1.26 1lf6A1 LYS 626 HG3 -0.12 0.22 0.15 -0.04 1.46 1.67 1lf6A1 LYS 626 HD2 -0.19 0.27 0.05 -0.04 1.69 1.78 1lf6A1 LYS 626 HD3 -0.11 -0.05 0.04 -0.04 1.68 1.51 1lf6A1 LYS 626 HE2 -0.09 -0.04 -0.09 -0.04 2.99 2.73 1lf6A1 LYS 626 HE3 -0.08 -0.05 -0.05 -0.04 2.99 2.77 1lf6A1 PHE 627 H -0.11 0.32 -0.32 -0.55 8.34 7.68 1lf6A1 PHE 627 HA -0.04 0.11 0.46 -0.75 4.62 4.39 1lf6A1 PHE 627 HB2 -0.06 0.08 0.13 -0.04 3.15 3.27 1lf6A1 PHE 627 HB3 -0.08 -0.19 -0.01 -0.04 3.06 2.74 1lf6A1 PHE 627 HD2 -0.01 0.07 -0.08 -0.04 7.28 7.22 1lf6A1 PHE 627 HE2 0.01 -0.02 -0.16 -0.04 7.38 7.17 1lf6A1 PHE 627 HZ -0.05 0.03 -0.45 -0.04 7.32 6.81 1lf6A1 ALA 628 H 0.00 0.28 -0.41 -0.55 8.40 7.72 1lf6A1 ALA 628 HA -0.03 -0.05 0.30 -0.75 4.34 3.80 1lf6A1 ALA 628 HB3 -0.08 -0.01 -0.12 -0.04 1.41 1.17 1lf6A1 ASN 629 H -0.01 0.41 0.22 -0.55 8.53 8.60 1lf6A1 ASN 629 HA 0.00 0.29 0.67 -0.75 4.76 4.97 1lf6A1 ASN 629 HB2 -0.00 -0.16 0.25 -0.04 2.88 2.93 1lf6A1 ASN 629 HB3 -0.01 0.09 0.17 -0.04 2.79 3.00 1lf6A1 ASN 629 HD21 -0.03 0.39 0.09 -0.04 7.03 7.43 1lf6A1 ASN 629 HD22 -0.03 -0.04 -0.00 -0.04 7.74 7.62 1lf6A1 GLU 630 H 0.00 0.13 0.20 -0.55 8.60 8.39 1lf6A1 GLU 630 HA 0.00 0.16 0.44 -0.75 4.29 4.14 1lf6A1 GLU 630 HB2 0.01 0.04 0.21 -0.04 2.09 2.30 1lf6A1 GLU 630 HB3 0.01 -0.08 0.17 -0.04 1.99 2.05 1lf6A1 GLU 630 HG2 0.03 0.14 0.03 -0.04 2.34 2.49 1lf6A1 GLU 630 HG3 0.01 0.04 0.17 -0.04 2.34 2.53 1lf6A1 GLY 631 H 0.01 0.00 -0.19 -0.55 8.43 7.71 1lf6A1 GLY 631 HA2 0.07 0.13 0.53 -0.51 4.01 4.23 1lf6A1 GLY 631 HA3 0.04 0.27 0.34 -0.51 4.01 4.16 1lf6A1 GLY 632 H 0.00 0.54 -0.58 -0.55 8.43 7.85 1lf6A1 GLY 632 HA2 -0.02 0.12 0.20 -0.51 4.01 3.79 1lf6A1 GLY 632 HA3 -0.01 0.06 0.43 -0.51 4.01 3.97 1lf6A1 ILE 633 H 0.01 -0.02 -0.29 -0.55 8.25 7.40 1lf6A1 ILE 633 HA 0.18 0.15 0.74 -0.75 4.18 4.49 1lf6A1 ILE 633 HB -0.02 0.04 -0.02 -0.04 1.89 1.85 1lf6A1 ILE 633 HG12 -0.08 0.00 -0.17 -0.04 1.49 1.21 1lf6A1 ILE 633 HG13 -0.02 0.13 -0.43 -0.04 1.21 0.86 1lf6A1 ILE 633 HG23 -0.01 -0.03 -0.26 -0.04 0.93 0.59 1lf6A1 ILE 633 HD13 -0.08 -0.01 -0.40 -0.04 0.88 0.35 1lf6A1 ILE 634 H 0.42 0.16 0.13 -0.55 8.25 8.41 1lf6A1 ILE 634 HA -0.11 0.24 0.78 -0.75 4.18 4.33 1lf6A1 ILE 634 HB -0.71 -0.12 0.03 -0.04 1.89 1.05 1lf6A1 ILE 634 HG12 -0.19 0.15 -0.16 -0.04 1.49 1.25 1lf6A1 ILE 634 HG13 -0.34 0.01 -0.14 -0.04 1.21 0.70 1lf6A1 ILE 634 HG23 -0.19 0.07 -0.15 -0.04 0.93 0.61 1lf6A1 ILE 634 HD13 -0.40 -0.01 -0.13 -0.04 0.88 0.29 1lf6A1 SER 635 H -0.17 0.28 0.11 -0.55 8.46 8.13 1lf6A1 SER 635 HA -0.23 0.09 0.77 -0.75 4.49 4.36 1lf6A1 SER 635 HB2 -0.33 -0.02 0.08 -0.04 3.95 3.65 1lf6A1 SER 635 HB3 -0.20 0.03 0.08 -0.04 3.93 3.80 1lf6A1 GLU 636 H -0.45 0.68 0.21 -0.55 8.60 8.49 1lf6A1 GLU 636 HA -0.54 -0.01 0.52 -0.75 4.29 3.50 1lf6A1 GLU 636 HB2 -0.50 -0.01 0.11 -0.04 2.09 1.65 1lf6A1 GLU 636 HB3 -0.68 -0.09 0.15 -0.04 1.99 1.33 1lf6A1 GLU 636 HG2 -2.02 0.05 -0.21 -0.04 2.34 0.12 1lf6A1 GLU 636 HG3 -1.40 -0.03 0.05 -0.04 2.34 0.92 1lf6A1 GLN 637 H -0.57 0.08 -0.02 -0.55 8.47 7.41 1lf6A1 GLN 637 HA -0.64 0.48 1.01 -0.75 4.36 4.45 1lf6A1 GLN 637 HB2 -0.52 -0.20 -0.00 -0.04 2.15 1.39 1lf6A1 GLN 637 HB3 -0.47 0.05 -0.04 -0.04 2.02 1.52 1lf6A1 GLN 637 HG2 -1.48 0.17 -0.27 -0.04 2.40 0.77 1lf6A1 GLN 637 HG3 -1.14 -0.18 -0.43 -0.04 2.39 0.60 1lf6A1 GLN 637 HE21 -0.13 0.31 0.06 -0.04 6.97 7.17 1lf6A1 GLN 637 HE22 -0.30 -0.10 -0.04 -0.04 7.69 7.20 1lf6A1 VAL 638 H -0.39 0.69 0.28 -0.55 8.24 8.27 1lf6A1 VAL 638 HA -0.28 0.09 0.81 -0.75 4.13 3.99 1lf6A1 VAL 638 HB -0.10 0.09 -0.44 -0.04 2.12 1.62 1lf6A1 VAL 638 HG13 -0.30 -0.01 -0.32 -0.04 0.97 0.30 1lf6A1 VAL 638 HG23 -0.58 0.01 -0.23 -0.04 0.95 0.11 1lf6A1 TRP 639 H 0.12 0.79 0.13 -0.55 7.97 8.47 1lf6A1 TRP 639 HA -0.04 0.06 0.51 -0.75 4.62 4.40 1lf6A1 TRP 639 HB2 -0.02 -0.10 0.11 -0.04 3.23 3.18 1lf6A1 TRP 639 HB3 -0.01 -0.11 0.08 -0.04 3.23 3.15 1lf6A1 TRP 639 HD1 -0.03 0.20 -0.24 -0.04 7.22 7.11 1lf6A1 TRP 639 HE1 0.00 0.09 0.04 -0.04 10.20 10.29 1lf6A1 TRP 639 HE3 0.01 -0.07 0.02 -0.04 7.59 7.51 1lf6A1 TRP 639 HZ2 0.06 0.02 0.05 -0.04 7.44 7.53 1lf6A1 TRP 639 HZ3 0.03 0.06 -0.22 -0.04 7.13 6.96 1lf6A1 TRP 639 HH2 0.05 0.33 -0.16 -0.04 7.19 7.36 1lf6A1 GLU 640 H 0.25 0.16 0.17 -0.55 8.60 8.64 1lf6A1 GLU 640 HA 0.00 0.16 0.38 -0.75 4.29 4.07 1lf6A1 GLU 640 HB2 0.12 -0.02 0.06 -0.04 2.09 2.20 1lf6A1 GLU 640 HB3 0.03 0.08 -0.03 -0.04 1.99 2.03 1lf6A1 GLU 640 HG2 0.11 0.09 -0.03 -0.04 2.34 2.46 1lf6A1 GLU 640 HG3 -0.10 -0.03 -0.02 -0.04 2.34 2.15 1lf6A1 ASP 641 H 0.15 -0.01 -0.06 -0.55 8.40 7.93 1lf6A1 ASP 641 HA 0.03 0.22 0.54 -0.75 4.63 4.67 1lf6A1 ASP 641 HB2 -0.01 0.08 0.04 -0.04 2.71 2.77 1lf6A1 ASP 641 HB3 0.02 0.00 0.07 -0.04 2.70 2.75 1lf6A1 THR 642 H 0.11 -0.10 -0.15 -0.55 8.28 7.59 1lf6A1 THR 642 HA 0.03 0.35 1.03 -0.75 4.39 5.04 1lf6A1 THR 642 HB 0.02 0.10 0.07 -0.04 4.32 4.47 1lf6A1 THR 642 HG23 -0.05 0.00 -0.11 -0.04 1.22 1.02 1lf6A1 GLY 643 H 0.15 0.20 -0.12 -0.55 8.43 8.12 1lf6A1 GLY 643 HA2 0.18 0.11 0.24 -0.51 4.01 4.02 1lf6A1 GLY 643 HA3 0.25 0.07 0.37 -0.51 4.01 4.18 1lf6A1 LEU 644 H 0.18 -0.18 -0.42 -0.55 8.37 7.41 1lf6A1 LEU 644 HA 0.11 0.30 0.59 -0.75 4.35 4.60 1lf6A1 LEU 644 HB2 0.18 -0.16 0.02 -0.04 1.64 1.63 1lf6A1 LEU 644 HB3 0.13 0.08 0.07 -0.04 1.64 1.88 1lf6A1 LEU 644 HG 0.07 0.07 -0.13 -0.04 1.64 1.61 1lf6A1 LEU 644 HD13 0.01 -0.02 0.00 -0.04 0.93 0.89 1lf6A1 LEU 644 HD23 0.05 0.03 -0.00 -0.04 0.89 0.93 1lf6A1 PRO 645 HA -0.14 0.12 0.63 -0.51 4.44 4.54 1lf6A1 PRO 645 HB2 -0.04 0.00 0.09 -0.04 2.28 2.30 1lf6A1 PRO 645 HB3 -0.12 -0.04 0.17 -0.04 2.02 1.99 1lf6A1 PRO 645 HG2 -0.02 -0.04 0.12 -0.04 2.03 2.06 1lf6A1 PRO 645 HG3 -0.03 0.20 0.16 -0.04 2.03 2.31 1lf6A1 PRO 645 HD2 0.06 0.03 0.21 -0.04 3.68 3.94 1lf6A1 PRO 645 HD3 0.05 0.26 0.27 -0.04 3.65 4.19 1lf6A1 THR 646 H -0.33 0.38 0.25 -0.55 8.28 8.03 1lf6A1 THR 646 HA -0.05 0.20 0.66 -0.75 4.39 4.45 1lf6A1 THR 646 HB -0.53 -0.06 0.17 -0.04 4.32 3.86 1lf6A1 THR 646 HG23 -1.46 0.03 -0.23 -0.04 1.22 -0.48 1lf6A1 ASP 647 H 0.04 0.15 0.11 -0.55 8.40 8.15 1lf6A1 ASP 647 HA -0.17 0.27 0.77 -0.75 4.63 4.74 1lf6A1 ASP 647 HB2 0.17 0.11 0.11 -0.04 2.71 3.07 1lf6A1 ASP 647 HB3 0.09 -0.06 0.17 -0.04 2.70 2.86 1lf6A1 SER 648 H -0.47 0.03 -0.59 -0.55 8.46 6.88 1lf6A1 SER 648 HA -1.83 0.04 0.41 -0.75 4.49 2.36 1lf6A1 SER 648 HB2 -0.71 -0.02 0.13 -0.04 3.95 3.31 1lf6A1 SER 648 HB3 -0.50 0.01 0.06 -0.04 3.93 3.46 1lf6A1 ALA 649 H -0.88 0.07 0.12 -0.55 8.40 7.17 1lf6A1 ALA 649 HA -0.59 0.09 0.30 -0.75 4.34 3.38 1lf6A1 ALA 649 HB3 -0.99 0.01 0.02 -0.04 1.41 0.41 1lf6A1 SER 650 H -0.32 0.34 0.05 -0.55 8.46 7.99 1lf6A1 SER 650 HA -0.19 -0.10 0.27 -0.75 4.49 3.71 1lf6A1 SER 650 HB2 -0.14 0.01 -0.12 -0.04 3.95 3.65 1lf6A1 SER 650 HB3 -0.25 0.06 -0.24 -0.04 3.93 3.46 1lf6A1 PRO 651 HA -0.03 0.23 0.32 -0.51 4.44 4.46 1lf6A1 PRO 651 HB2 0.01 0.04 -0.13 -0.04 2.28 2.15 1lf6A1 PRO 651 HB3 -0.02 0.02 0.02 -0.04 2.02 2.00 1lf6A1 PRO 651 HG2 -0.09 -0.07 0.06 -0.04 2.03 1.89 1lf6A1 PRO 651 HG3 -0.12 0.11 -0.00 -0.04 2.03 1.97 1lf6A1 PRO 651 HD2 -0.11 0.16 0.42 -0.04 3.68 4.10 1lf6A1 PRO 651 HD3 -0.10 0.10 -0.06 -0.04 3.65 3.55 1lf6A1 LEU 652 H -0.05 0.66 0.16 -0.55 8.37 8.59 1lf6A1 LEU 652 HA -0.03 0.19 0.71 -0.75 4.35 4.47 1lf6A1 LEU 652 HB2 -0.21 0.02 -0.08 -0.04 1.64 1.33 1lf6A1 LEU 652 HB3 -0.13 0.03 0.02 -0.04 1.64 1.53 1lf6A1 LEU 652 HG 0.10 -0.25 -0.07 -0.04 1.64 1.38 1lf6A1 LEU 652 HD13 0.08 0.05 0.03 -0.04 0.93 1.05 1lf6A1 LEU 652 HD23 -0.16 -0.01 0.04 -0.04 0.89 0.72 1lf6A1 ASN 653 H 0.08 0.68 0.23 -0.55 8.53 8.98 1lf6A1 ASN 653 HA 0.14 0.04 0.27 -0.75 4.76 4.45 1lf6A1 ASN 653 HB2 0.12 0.08 0.15 -0.04 2.88 3.18 1lf6A1 ASN 653 HB3 0.09 -0.02 -0.02 -0.04 2.79 2.80 1lf6A1 ASN 653 HD21 0.00 -0.10 -0.22 -0.04 7.03 6.68 1lf6A1 ASN 653 HD22 0.08 0.67 -0.09 -0.04 7.74 8.36 1lf6A1 TRP 654 H 0.32 0.15 -0.15 -0.55 7.97 7.75 1lf6A1 TRP 654 HA 0.05 0.11 0.41 -0.75 4.62 4.43 1lf6A1 TRP 654 HB2 0.08 0.02 0.10 -0.04 3.23 3.39 1lf6A1 TRP 654 HB3 0.07 -0.03 0.04 -0.04 3.23 3.27 1lf6A1 TRP 654 HD1 -0.08 -0.03 0.07 -0.04 7.22 7.14 1lf6A1 TRP 654 HE1 -0.87 0.04 -0.06 -0.04 10.20 9.27 1lf6A1 TRP 654 HE3 0.13 0.01 -0.02 -0.04 7.59 7.66 1lf6A1 TRP 654 HZ2 -0.22 0.02 -0.08 -0.04 7.44 7.12 1lf6A1 TRP 654 HZ3 0.19 0.05 -0.04 -0.04 7.13 7.28 1lf6A1 TRP 654 HH2 -0.16 -0.04 -0.07 -0.04 7.19 6.89 1lf6A1 ALA 655 H 0.08 0.22 -0.28 -0.55 8.40 7.87 1lf6A1 ALA 655 HA -0.13 0.02 0.42 -0.75 4.34 3.89 1lf6A1 ALA 655 HB3 -0.17 0.05 0.01 -0.04 1.41 1.26 1lf6A1 HIS 656 H 0.10 0.41 -0.16 -0.55 8.41 8.21 1lf6A1 HIS 656 HA 0.06 0.06 0.49 -0.75 4.63 4.49 1lf6A1 HIS 656 HB2 -0.00 0.09 0.10 -0.04 3.26 3.41 1lf6A1 HIS 656 HB3 -0.02 0.03 0.01 -0.04 3.20 3.18 1lf6A1 HIS 656 HD2 -0.05 -0.00 -0.21 -0.04 6.97 6.66 1lf6A1 HIS 656 HE1 -0.11 0.49 0.19 -0.04 7.75 8.28 1lf6A1 ALA 657 H 0.16 0.47 -0.24 -0.55 8.40 8.25 1lf6A1 ALA 657 HA 0.04 0.04 0.41 -0.75 4.34 4.07 1lf6A1 ALA 657 HB3 0.12 0.07 -0.01 -0.04 1.41 1.54 1lf6A1 GLU 658 H 0.14 0.49 -0.21 -0.55 8.60 8.48 1lf6A1 GLU 658 HA 0.08 0.01 0.35 -0.75 4.29 3.98 1lf6A1 GLU 658 HB2 0.00 0.04 0.11 -0.04 2.09 2.19 1lf6A1 GLU 658 HB3 -0.00 0.12 0.14 -0.04 1.99 2.21 1lf6A1 GLU 658 HG2 -0.06 0.05 0.00 -0.04 2.34 2.29 1lf6A1 GLU 658 HG3 0.01 -0.02 -0.18 -0.04 2.34 2.10 1lf6A1 TYR 659 H 0.15 0.52 -0.24 -0.55 8.29 8.17 1lf6A1 TYR 659 HA 0.04 -0.00 0.40 -0.75 4.56 4.24 1lf6A1 TYR 659 HB2 -0.03 0.01 0.07 -0.04 3.06 3.07 1lf6A1 TYR 659 HB3 -0.00 0.12 0.15 -0.04 2.98 3.20 1lf6A1 TYR 659 HD2 0.02 0.05 -0.14 -0.04 7.15 7.04 1lf6A1 TYR 659 HE2 -0.14 0.01 -0.14 -0.04 6.85 6.55 1lf6A1 VAL 660 H 0.16 0.57 -0.17 -0.55 8.24 8.24 1lf6A1 VAL 660 HA 0.10 -0.02 0.40 -0.75 4.13 3.86 1lf6A1 VAL 660 HB 0.07 0.10 0.18 -0.04 2.12 2.43 1lf6A1 VAL 660 HG13 0.22 -0.00 -0.13 -0.04 0.97 1.02 1lf6A1 VAL 660 HG23 0.10 0.06 0.04 -0.04 0.95 1.11 1lf6A1 ILE 661 H 0.03 0.59 -0.12 -0.55 8.25 8.20 1lf6A1 ILE 661 HA 0.01 0.04 0.39 -0.75 4.18 3.86 1lf6A1 ILE 661 HB 0.02 0.08 0.10 -0.04 1.89 2.05 1lf6A1 ILE 661 HG12 0.02 0.02 -0.12 -0.04 1.49 1.38 1lf6A1 ILE 661 HG13 0.04 0.05 0.00 -0.04 1.21 1.25 1lf6A1 ILE 661 HG23 0.00 -0.02 -0.11 -0.04 0.93 0.76 1lf6A1 ILE 661 HD13 0.04 -0.04 -0.18 -0.04 0.88 0.66 1lf6A1 LEU 662 H -0.07 0.60 -0.21 -0.55 8.37 8.14 1lf6A1 LEU 662 HA -0.08 -0.00 0.43 -0.75 4.35 3.94 1lf6A1 LEU 662 HB2 -0.04 0.01 0.07 -0.04 1.64 1.64 1lf6A1 LEU 662 HB3 -0.11 0.09 0.17 -0.04 1.64 1.75 1lf6A1 LEU 662 HG -0.05 -0.01 -0.34 -0.04 1.64 1.20 1lf6A1 LEU 662 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.72 1lf6A1 LEU 662 HD23 0.09 -0.02 -0.15 -0.04 0.89 0.77 1lf6A1 PHE 663 H -0.25 0.79 -0.00 -0.55 8.34 8.32 1lf6A1 PHE 663 HA -0.34 -0.03 0.39 -0.75 4.62 3.88 1lf6A1 PHE 663 HB2 -0.99 -0.00 0.10 -0.04 3.15 2.22 1lf6A1 PHE 663 HB3 -0.47 0.15 0.20 -0.04 3.06 2.90 1lf6A1 PHE 663 HD2 -0.40 0.03 -0.04 -0.04 7.28 6.83 1lf6A1 PHE 663 HE2 -0.44 0.01 -0.07 -0.04 7.38 6.84 1lf6A1 PHE 663 HZ -0.19 0.36 -0.21 -0.04 7.32 7.25 1lf6A1 ALA 664 H -0.21 0.59 -0.15 -0.55 8.40 8.09 1lf6A1 ALA 664 HA -1.00 0.03 0.46 -0.75 4.34 3.07 1lf6A1 ALA 664 HB3 -0.19 0.02 0.08 -0.04 1.41 1.28 1lf6A1 SER 665 H -0.18 0.58 -0.11 -0.55 8.46 8.20 1lf6A1 SER 665 HA -0.13 0.06 0.57 -0.75 4.49 4.25 1lf6A1 SER 665 HB2 -0.11 0.03 0.22 -0.04 3.95 4.05 1lf6A1 SER 665 HB3 -0.09 -0.02 0.03 -0.04 3.93 3.81 1lf6A1 ASN 666 H -0.23 0.72 -0.16 -0.55 8.53 8.31 1lf6A1 ASN 666 HA -0.12 -0.00 0.42 -0.75 4.76 4.31 1lf6A1 ASN 666 HB2 -0.11 0.02 0.04 -0.04 2.88 2.79 1lf6A1 ASN 666 HB3 -0.24 0.16 0.05 -0.04 2.79 2.71 1lf6A1 ASN 666 HD21 -0.03 -0.14 0.02 -0.04 7.03 6.85 1lf6A1 ASN 666 HD22 -0.11 0.10 -0.06 -0.04 7.74 7.64 1lf6A1 ILE 667 H -0.42 0.28 -0.50 -0.55 8.25 7.06 1lf6A1 ILE 667 HA -0.41 0.08 0.65 -0.75 4.18 3.74 1lf6A1 ILE 667 HB -0.51 0.12 0.19 -0.04 1.89 1.64 1lf6A1 ILE 667 HG12 -0.43 -0.04 0.01 -0.04 1.49 0.99 1lf6A1 ILE 667 HG13 -0.71 0.09 0.01 -0.04 1.21 0.57 1lf6A1 ILE 667 HG23 -0.21 -0.02 -0.09 -0.04 0.93 0.58 1lf6A1 ILE 667 HD13 -1.07 -0.03 -0.07 -0.04 0.88 -0.32 1lf6A1 GLU 668 H -0.27 0.44 0.08 -0.55 8.60 8.30 1lf6A1 GLU 668 HA -0.16 0.06 0.52 -0.75 4.29 3.95 1lf6A1 GLU 668 HB2 -0.10 0.04 0.14 -0.04 2.09 2.13 1lf6A1 GLU 668 HB3 -0.05 -0.03 0.01 -0.04 1.99 1.87 1lf6A1 GLU 668 HG2 -0.02 0.07 0.06 -0.04 2.34 2.41 1lf6A1 GLU 668 HG3 -0.00 -0.03 0.01 -0.04 2.34 2.28 1lf6A1 HIS 669 H -0.29 0.32 -0.28 -0.55 8.41 7.62 1lf6A1 HIS 669 HA -0.07 -0.01 0.24 -0.75 4.63 4.04 1lf6A1 HIS 669 HB2 -0.05 0.26 0.24 -0.04 3.26 3.67 1lf6A1 HIS 669 HB3 -0.05 -0.07 0.18 -0.04 3.20 3.22 1lf6A1 HIS 669 HD2 -0.04 -0.02 -0.12 -0.04 6.97 6.75 1lf6A1 HIS 669 HE1 -0.05 -0.10 0.03 -0.04 7.75 7.58 1lf6A1 LYS 670 H -0.07 0.36 0.06 -0.55 8.42 8.22 1lf6A1 LYS 670 HA -0.06 0.10 0.40 -0.75 4.32 4.01 1lf6A1 LYS 670 HB2 -0.07 -0.05 -0.01 -0.04 1.87 1.69 1lf6A1 LYS 670 HB3 -0.03 0.21 -0.25 -0.04 1.79 1.67 1lf6A1 LYS 670 HG2 -0.04 -0.04 -0.28 -0.04 1.46 1.06 1lf6A1 LYS 670 HG3 -0.05 -0.07 -0.44 -0.04 1.46 0.86 1lf6A1 LYS 670 HD2 -0.04 -0.01 -0.13 -0.04 1.69 1.46 1lf6A1 LYS 670 HD3 -0.02 0.07 -0.13 -0.04 1.68 1.55 1lf6A1 LYS 670 HE2 -0.02 0.01 -0.07 -0.04 2.99 2.87 1lf6A1 LYS 670 HE3 -0.02 -0.03 -0.10 -0.04 2.99 2.80 1lf6A1 VAL 671 H -0.09 0.21 0.04 -0.55 8.24 7.85 1lf6A1 VAL 671 HA -0.06 0.03 0.54 -0.75 4.13 3.90 1lf6A1 VAL 671 HB -0.08 0.05 0.21 -0.04 2.12 2.25 1lf6A1 VAL 671 HG13 -0.02 -0.03 -0.03 -0.04 0.97 0.85 1lf6A1 VAL 671 HG23 -0.08 0.03 0.01 -0.04 0.95 0.87 1lf6A1 LEU 672 H -0.04 0.25 0.28 -0.55 8.37 8.31 1lf6A1 LEU 672 HA -0.02 0.12 0.32 -0.75 4.35 4.01 1lf6A1 LEU 672 HB2 -0.01 -0.03 0.12 -0.04 1.64 1.68 1lf6A1 LEU 672 HB3 0.01 0.02 0.06 -0.04 1.64 1.69 1lf6A1 LEU 672 HG -0.04 0.15 0.08 -0.04 1.64 1.79 1lf6A1 LEU 672 HD13 0.02 0.01 -0.10 -0.04 0.93 0.81 1lf6A1 LEU 672 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 1lf6A1 ASP 673 H -0.00 0.01 -0.28 -0.55 8.40 7.59 1lf6A1 ASP 673 HA 0.01 0.28 0.92 -0.75 4.63 5.09 1lf6A1 ASP 673 HB2 -0.03 -0.01 0.11 -0.04 2.71 2.74 1lf6A1 ASP 673 HB3 -0.01 0.00 -0.04 -0.04 2.70 2.61 1lf6A1 MET 674 H 0.00 0.33 -0.26 -0.55 8.47 8.00 1lf6A1 MET 674 HA 0.07 0.17 0.66 -0.75 4.52 4.66 1lf6A1 MET 674 HB2 0.01 0.04 0.09 -0.04 2.15 2.25 1lf6A1 MET 674 HB3 -0.04 0.03 0.09 -0.04 2.03 2.07 1lf6A1 MET 674 HG2 0.06 -0.08 -0.47 -0.04 2.63 2.11 1lf6A1 MET 674 HG3 0.08 0.04 -0.24 -0.04 2.56 2.39 1lf6A1 MET 674 HE3 -0.45 -0.02 -0.04 -0.04 2.10 1.56 1lf6A1 PRO 675 HA 0.21 0.06 0.52 -0.51 4.44 4.71 1lf6A1 PRO 675 HB2 -0.05 -0.12 0.08 -0.04 2.28 2.16 1lf6A1 PRO 675 HB3 0.17 0.08 0.11 -0.04 2.02 2.35 1lf6A1 PRO 675 HG2 0.06 0.04 0.21 -0.04 2.03 2.31 1lf6A1 PRO 675 HG3 0.07 0.00 0.13 -0.04 2.03 2.19 1lf6A1 PRO 675 HD2 0.09 0.13 0.26 -0.04 3.68 4.12 1lf6A1 PRO 675 HD3 0.13 0.22 0.23 -0.04 3.65 4.19 1lf6A1 ASP 676 H 0.15 0.23 0.21 -0.55 8.40 8.45 1lf6A1 ASP 676 HA 0.12 0.09 0.30 -0.75 4.63 4.38 1lf6A1 ASP 676 HB2 0.09 0.00 0.01 -0.04 2.71 2.77 1lf6A1 ASP 676 HB3 0.06 0.11 0.12 -0.04 2.70 2.95 1lf6A1 ILE 677 H -0.03 0.11 -0.17 -0.55 8.25 7.61 1lf6A1 ILE 677 HA -0.01 0.10 0.39 -0.75 4.18 3.91 1lf6A1 ILE 677 HB -0.08 0.04 0.05 -0.04 1.89 1.86 1lf6A1 ILE 677 HG12 -0.41 -0.07 -0.13 -0.04 1.49 0.83 1lf6A1 ILE 677 HG13 -0.15 0.05 -0.49 -0.04 1.21 0.58 1lf6A1 ILE 677 HG23 -0.33 -0.00 0.01 -0.04 0.93 0.57 1lf6A1 ILE 677 HD13 -0.37 0.00 -0.18 -0.04 0.88 0.29 1lf6A1 VAL 678 H -0.03 0.22 -0.30 -0.55 8.24 7.59 1lf6A1 VAL 678 HA 0.07 0.04 0.45 -0.75 4.13 3.94 1lf6A1 VAL 678 HB 0.09 0.22 0.19 -0.04 2.12 2.58 1lf6A1 VAL 678 HG13 0.19 0.03 -0.22 -0.04 0.97 0.93 1lf6A1 VAL 678 HG23 -0.01 -0.06 0.07 -0.04 0.95 0.90 1lf6A1 TYR 679 H 0.19 0.36 -0.04 -0.55 8.29 8.25 1lf6A1 TYR 679 HA 0.07 0.18 0.50 -0.75 4.56 4.55 1lf6A1 TYR 679 HB2 0.03 0.03 0.02 -0.04 3.06 3.09 1lf6A1 TYR 679 HB3 0.02 0.05 0.10 -0.04 2.98 3.12 1lf6A1 TYR 679 HD2 0.02 0.02 -0.08 -0.04 7.15 7.07 1lf6A1 TYR 679 HE2 0.01 -0.01 -0.09 -0.04 6.85 6.73 1lf6A1 LYS 680 H 0.10 0.67 -0.12 -0.55 8.42 8.53 1lf6A1 LYS 680 HA -0.15 -0.04 0.37 -0.75 4.32 3.74 1lf6A1 LYS 680 HB2 0.01 0.05 0.11 -0.04 1.87 1.99 1lf6A1 LYS 680 HB3 -0.02 -0.03 -0.01 -0.04 1.79 1.69 1lf6A1 LYS 680 HG2 0.09 -0.04 0.02 -0.04 1.46 1.49 1lf6A1 LYS 680 HG3 0.20 0.05 0.05 -0.04 1.46 1.71 1lf6A1 LYS 680 HD2 0.05 -0.01 -0.03 -0.04 1.69 1.65 1lf6A1 LYS 680 HD3 0.08 -0.03 -0.04 -0.04 1.68 1.66 1lf6A1 LYS 680 HE2 0.09 -0.06 -0.41 -0.04 2.99 2.56 1lf6A1 LYS 680 HE3 0.04 0.01 -0.18 -0.04 2.99 2.82 1lf6A1 ARG 681 H -0.15 0.34 -0.39 -0.55 8.46 7.70 1lf6A1 ARG 681 HA -0.24 0.06 0.57 -0.75 4.34 3.97 1lf6A1 ARG 681 HB2 -0.28 0.03 0.13 -0.04 1.90 1.74 1lf6A1 ARG 681 HB3 -0.78 0.07 0.13 -0.04 1.80 1.18 1lf6A1 ARG 681 HG2 -0.78 0.02 -0.04 -0.04 1.67 0.82 1lf6A1 ARG 681 HG3 -0.30 -0.05 0.06 -0.04 1.67 1.33 1lf6A1 ARG 681 HD2 -0.23 -0.03 0.00 -0.04 3.22 2.91 1lf6A1 ARG 681 HD3 -0.61 0.00 -0.03 -0.04 3.22 2.54 1lf6A1 TYR 682 H -0.11 0.40 0.00 -0.55 8.29 8.03 1lf6A1 TYR 682 HA -0.05 0.18 1.07 -0.75 4.56 5.00 1lf6A1 TYR 682 HB2 -0.03 0.26 0.17 -0.04 3.06 3.42 1lf6A1 TYR 682 HB3 -0.02 0.07 0.08 -0.04 2.98 3.06 1lf6A1 TYR 682 HD2 -0.01 0.10 0.01 -0.04 7.15 7.21 1lf6A1 TYR 682 HE2 -0.01 -0.05 -0.05 -0.04 6.85 6.69 1lf6A1 VAL 683 H -0.15 0.39 0.19 -0.55 8.24 8.11 1lf6A1 VAL 683 HA -0.06 0.13 0.83 -0.75 4.13 4.28 1lf6A1 VAL 683 HB -0.27 0.01 0.01 -0.04 2.12 1.82 1lf6A1 VAL 683 HG13 0.08 -0.06 -0.09 -0.04 0.97 0.87 1lf6A1 VAL 683 HG23 0.08 0.03 -0.82 -0.04 0.95 0.21 1lf6A1 ALA 684 H -0.52 0.47 -0.00 -0.55 8.40 7.80 1lf6A1 ALA 684 HA -0.46 0.02 0.13 -0.75 4.34 3.28 1lf6A1 ALA 684 HB3 -0.22 0.04 0.05 -0.04 1.41 1.23