============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 13 1.000 16.843 -10.360 31.119 -99.200 -91.000 PHE 18 1.000 10.014 -5.898 23.601 -99.200 -91.000 TYR 19 0.840 16.975 -9.286 25.774 -99.200 -91.000 PHE 31 1.000 26.053 -9.517 16.189 -99.200 -91.000 PHE 33 1.000 20.773 -6.384 16.791 -99.200 -91.000 TRP 43 1.040 24.359 0.410 19.918 -99.200 -91.000 TRP6 43 1.020 25.205 -1.223 21.411 -99.200 -91.000 HIS 58 0.900 25.782 -14.024 20.691 -99.200 -91.000 TYR 60 0.840 30.360 -6.541 11.495 -99.200 -91.000 TYR 68 0.840 33.879 -3.652 6.889 -99.200 -91.000 TYR 79 0.840 21.135 4.041 23.526 -99.200 -91.000 PHE 87 1.000 35.260 1.056 13.626 -99.200 -91.000 PHE 88 1.000 27.910 6.385 11.761 -99.200 -91.000 TYR 102 0.840 20.127 0.693 8.653 -99.200 -91.000 PHE 104 1.000 26.988 -2.604 10.948 -99.200 -91.000 PHE 113 1.000 24.326 0.614 27.156 -99.200 -91.000 TYR 117 0.840 27.074 -4.455 26.226 -99.200 -91.000 PHE 122 1.000 21.134 -4.585 25.830 -99.200 -91.000 TRP 130 1.040 9.404 9.019 13.518 -99.200 -91.000 TRP6 130 1.020 8.142 9.262 11.536 -99.200 -91.000 PHE 156 1.000 8.065 0.044 13.905 -99.200 -91.000 PHE 158 1.000 7.942 -3.384 19.018 -99.200 -91.000 TYR 159 0.840 0.308 -10.350 20.950 -99.200 -91.000 HIS 163 0.900 8.211 -13.110 33.804 -99.200 -91.000 HIS 166 0.900 1.162 -13.258 25.140 -99.200 -91.000 PHE 169 1.000 5.129 -14.026 16.929 -99.200 -91.000 PHE 179 1.000 0.410 -10.179 15.856 -99.200 -91.000 TYR 180 0.840 -6.388 -5.060 15.563 -99.200 -91.000 TYR 186 0.840 -3.829 3.784 12.283 -99.200 -91.000 HIS 191 0.900 7.126 18.301 18.192 -99.200 -91.000 TYR 194 0.840 12.356 10.829 21.574 -99.200 -91.000 TRP 195 1.040 7.877 5.718 16.670 -99.200 -91.000 TRP6 195 1.020 6.882 5.670 14.527 -99.200 -91.000 HIS 202 0.900 -9.188 12.810 31.918 -99.200 -91.000 PHE 228 1.000 -0.901 12.772 36.349 -99.200 -91.000 PHE 243 1.000 13.408 -2.785 53.551 -99.200 -91.000 PHE 246 1.000 11.885 4.955 41.374 -99.200 -91.000 TYR 247 0.840 6.965 6.580 44.904 -99.200 -91.000 PHE 259 1.000 -1.624 6.028 35.667 -99.200 -91.000 PHE 261 1.000 -2.699 7.471 29.756 -99.200 -91.000 TYR 268 0.840 -6.364 5.035 23.089 -99.200 -91.000 TYR 274 0.840 -3.690 -4.449 32.023 -99.200 -91.000 TYR 275 0.840 -0.952 1.404 37.991 -99.200 -91.000 HIS 278 0.900 1.948 -9.800 42.269 -99.200 -91.000 PHE 296 1.000 10.281 13.592 29.227 -99.200 -91.000 PHE 301 1.000 0.959 11.550 31.934 -99.200 -91.000 PHE 307 1.000 -0.788 2.766 26.054 -99.200 -91.000 TYR 311 0.840 -4.925 0.035 25.486 -99.200 -91.000 PHE 312 1.000 -1.193 -4.873 17.002 -99.200 -91.000 PHE 315 1.000 5.181 1.853 17.499 -99.200 -91.000 TYR 317 0.840 9.192 4.659 10.357 -99.200 -91.000 HIS 320 0.900 4.965 11.634 8.738 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lf3A1 LEU -1 HA -0.01 -0.08 0.18 -0.75 4.35 3.68 1lf3A1 LEU -1 HB2 -0.00 -0.01 0.06 -0.04 1.64 1.65 1lf3A1 LEU -1 HB3 -0.00 -0.01 0.15 -0.04 1.64 1.74 1lf3A1 LEU -1 HG -0.00 -0.01 0.01 -0.04 1.64 1.59 1lf3A1 LEU -1 HD13 -0.00 -0.00 0.01 -0.04 0.93 0.89 1lf3A1 LEU -1 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.72 1lf3A1 GLY 0 H -0.01 0.21 0.05 -0.55 8.43 8.13 1lf3A1 GLY 0 HA2 -0.02 -0.02 0.26 -0.51 4.01 3.72 1lf3A1 GLY 0 HA3 -0.01 0.13 0.65 -0.51 4.01 4.27 1lf3A1 SER 1 H -0.02 0.20 0.11 -0.55 8.46 8.20 1lf3A1 SER 1 HA -0.04 0.05 0.67 -0.75 4.49 4.42 1lf3A1 SER 1 HB2 -0.06 -0.00 0.10 -0.04 3.95 3.94 1lf3A1 SER 1 HB3 -0.02 0.15 0.19 -0.04 3.93 4.21 1lf3A1 SER 2 H -0.02 0.15 0.16 -0.55 8.46 8.21 1lf3A1 SER 2 HA -0.00 0.13 0.32 -0.75 4.49 4.18 1lf3A1 SER 2 HB2 0.00 0.02 0.10 -0.04 3.95 4.03 1lf3A1 SER 2 HB3 -0.00 0.03 0.11 -0.04 3.93 4.02 1lf3A1 ASN 3 H -0.00 -0.13 -0.77 -0.55 8.53 7.08 1lf3A1 ASN 3 HA 0.02 0.21 0.83 -0.75 4.76 5.07 1lf3A1 ASN 3 HB2 0.02 -0.06 -0.15 -0.04 2.88 2.65 1lf3A1 ASN 3 HB3 0.05 0.06 -0.09 -0.04 2.79 2.77 1lf3A1 ASN 3 HD21 0.02 -0.00 -0.26 -0.04 7.03 6.75 1lf3A1 ASN 3 HD22 0.01 -0.00 -0.25 -0.04 7.74 7.46 1lf3A1 ASP 4 H 0.03 0.55 0.31 -0.55 8.40 8.75 1lf3A1 ASP 4 HA 0.03 0.14 0.72 -0.75 4.63 4.77 1lf3A1 ASP 4 HB2 0.02 0.08 0.12 -0.04 2.71 2.89 1lf3A1 ASP 4 HB3 0.02 -0.08 0.30 -0.04 2.70 2.90 1lf3A1 ASN 5 H 0.06 0.26 0.20 -0.55 8.53 8.50 1lf3A1 ASN 5 HA 0.13 0.30 1.10 -0.75 4.76 5.54 1lf3A1 ASN 5 HB2 0.06 0.01 0.12 -0.04 2.88 3.03 1lf3A1 ASN 5 HB3 0.17 0.00 -0.10 -0.04 2.79 2.82 1lf3A1 ASN 5 HD21 -0.04 -0.07 -0.14 -0.04 7.03 6.74 1lf3A1 ASN 5 HD22 -0.03 0.06 -0.05 -0.04 7.74 7.68 1lf3A1 ILE 6 H 0.18 0.67 0.33 -0.55 8.25 8.88 1lf3A1 ILE 6 HA 0.13 0.15 0.99 -0.75 4.18 4.69 1lf3A1 ILE 6 HB 0.07 -0.06 0.19 -0.04 1.89 2.05 1lf3A1 ILE 6 HG12 0.05 0.03 -0.09 -0.04 1.49 1.44 1lf3A1 ILE 6 HG13 0.05 -0.05 -0.32 -0.04 1.21 0.84 1lf3A1 ILE 6 HG23 0.07 0.05 -0.03 -0.04 0.93 0.98 1lf3A1 ILE 6 HD13 -0.02 -0.00 -0.14 -0.04 0.88 0.67 1lf3A1 GLU 7 H 0.13 0.13 0.18 -0.55 8.60 8.49 1lf3A1 GLU 7 HA -0.53 0.22 0.63 -0.75 4.29 3.85 1lf3A1 GLU 7 HB2 0.04 -0.00 0.14 -0.04 2.09 2.23 1lf3A1 GLU 7 HB3 -0.02 -0.05 0.13 -0.04 1.99 2.01 1lf3A1 GLU 7 HG2 -0.17 -0.03 -0.14 -0.04 2.34 1.96 1lf3A1 GLU 7 HG3 -0.70 0.17 0.16 -0.04 2.34 1.93 1lf3A1 LEU 8 H -0.34 0.76 0.29 -0.55 8.37 8.53 1lf3A1 LEU 8 HA 0.09 0.37 1.09 -0.75 4.35 5.15 1lf3A1 LEU 8 HB2 -0.12 -0.15 -0.06 -0.04 1.64 1.27 1lf3A1 LEU 8 HB3 0.08 0.02 -0.09 -0.04 1.64 1.61 1lf3A1 LEU 8 HG 0.06 0.08 -0.32 -0.04 1.64 1.41 1lf3A1 LEU 8 HD13 0.05 -0.01 -0.29 -0.04 0.93 0.65 1lf3A1 LEU 8 HD23 0.32 0.02 -0.22 -0.04 0.89 0.97 1lf3A1 VAL 9 H 0.14 0.43 0.30 -0.55 8.24 8.56 1lf3A1 VAL 9 HA 0.04 0.12 0.94 -0.75 4.13 4.47 1lf3A1 VAL 9 HB 0.12 0.07 0.07 -0.04 2.12 2.34 1lf3A1 VAL 9 HG13 0.07 0.02 -0.07 -0.04 0.97 0.94 1lf3A1 VAL 9 HG23 0.25 0.01 -0.01 -0.04 0.95 1.16 1lf3A1 ASP 10 H 0.05 0.14 0.20 -0.55 8.40 8.24 1lf3A1 ASP 10 HA 0.12 0.19 0.82 -0.75 4.63 5.00 1lf3A1 ASP 10 HB2 0.02 0.09 -0.05 -0.04 2.71 2.73 1lf3A1 ASP 10 HB3 0.02 -0.02 0.09 -0.04 2.70 2.75 1lf3A1 PHE 11 H 0.13 0.92 0.38 -0.55 8.34 9.21 1lf3A1 PHE 11 HA 0.08 0.17 0.95 -0.75 4.62 5.07 1lf3A1 PHE 11 HB2 -0.01 0.02 -0.15 -0.04 3.15 2.97 1lf3A1 PHE 11 HB3 -0.24 -0.03 0.02 -0.04 3.06 2.77 1lf3A1 PHE 11 HD2 0.13 -0.03 -0.02 -0.04 7.28 7.32 1lf3A1 PHE 11 HE2 0.10 0.05 -0.03 -0.04 7.38 7.46 1lf3A1 PHE 11 HZ 0.08 0.15 0.00 -0.04 7.32 7.52 1lf3A1 GLN 12 HE21 -0.14 -0.00 0.02 -0.04 6.97 6.81 1lf3A1 GLN 12 HE22 -0.11 0.03 0.01 -0.04 7.69 7.58 1lf3A1 GLN 12 H -0.09 0.21 0.05 -0.55 8.47 8.10 1lf3A1 GLN 12 HA -0.17 0.06 0.33 -0.75 4.36 3.82 1lf3A1 GLN 12 HB2 -0.43 0.09 -0.13 -0.04 2.15 1.63 1lf3A1 GLN 12 HB3 -0.24 0.06 0.21 -0.04 2.02 2.01 1lf3A1 GLN 12 HG2 -0.29 0.02 0.06 -0.04 2.40 2.16 1lf3A1 GLN 12 HG3 -0.92 -0.07 -0.05 -0.04 2.39 1.31 1lf3A1 ASN 13 H 0.05 -0.01 -0.34 -0.55 8.53 7.68 1lf3A1 ASN 13 HA 0.02 -0.03 0.27 -0.75 4.76 4.28 1lf3A1 ASN 13 HB2 -0.34 -0.11 -0.18 -0.04 2.88 2.21 1lf3A1 ASN 13 HB3 -0.14 0.21 0.14 -0.04 2.79 2.95 1lf3A1 ASN 13 HD21 0.01 0.08 0.06 -0.04 7.03 7.13 1lf3A1 ASN 13 HD22 -0.03 -0.00 0.09 -0.04 7.74 7.75 1lf3A1 ILE 14 H 0.04 0.29 -0.29 -0.55 8.25 7.74 1lf3A1 ILE 14 HA 0.04 0.25 1.06 -0.75 4.18 4.78 1lf3A1 ILE 14 HB 0.08 -0.10 0.06 -0.04 1.89 1.89 1lf3A1 ILE 14 HG12 0.08 0.10 0.06 -0.04 1.49 1.69 1lf3A1 ILE 14 HG13 0.26 -0.05 -0.11 -0.04 1.21 1.27 1lf3A1 ILE 14 HG23 0.03 0.06 -0.06 -0.04 0.93 0.91 1lf3A1 ILE 14 HD13 0.18 -0.01 -0.04 -0.04 0.88 0.96 1lf3A1 MET 15 H 0.10 0.31 0.24 -0.55 8.47 8.58 1lf3A1 MET 15 HA -0.15 0.18 0.60 -0.75 4.52 4.40 1lf3A1 MET 15 HB2 -0.09 -0.02 -0.03 -0.04 2.15 1.97 1lf3A1 MET 15 HB3 -0.46 -0.02 0.04 -0.04 2.03 1.56 1lf3A1 MET 15 HG2 -0.13 0.01 0.01 -0.04 2.63 2.48 1lf3A1 MET 15 HG3 0.03 0.06 -0.52 -0.04 2.56 2.09 1lf3A1 MET 15 HE3 0.25 0.00 -0.08 -0.04 2.10 2.23 1lf3A1 PHE 16 H -0.71 0.34 0.22 -0.55 8.34 7.63 1lf3A1 PHE 16 HA -0.25 0.21 0.88 -0.75 4.62 4.71 1lf3A1 PHE 16 HB2 -0.07 0.08 -0.08 -0.04 3.15 3.04 1lf3A1 PHE 16 HB3 -0.10 -0.03 -0.14 -0.04 3.06 2.75 1lf3A1 PHE 16 HD2 -0.07 0.04 -0.25 -0.04 7.28 6.96 1lf3A1 PHE 16 HE2 -0.09 0.02 -0.04 -0.04 7.38 7.23 1lf3A1 PHE 16 HZ -0.82 -0.04 -0.00 -0.04 7.32 6.42 1lf3A1 TYR 17 H 0.09 0.42 0.29 -0.55 8.29 8.54 1lf3A1 TYR 17 HA -0.04 0.29 1.22 -0.75 4.56 5.28 1lf3A1 TYR 17 HB2 0.05 -0.03 -0.01 -0.04 3.06 3.03 1lf3A1 TYR 17 HB3 0.02 0.00 0.13 -0.04 2.98 3.09 1lf3A1 TYR 17 HD2 -0.02 0.06 -0.20 -0.04 7.15 6.95 1lf3A1 TYR 17 HE2 -0.08 0.01 -0.14 -0.04 6.85 6.59 1lf3A1 GLY 18 H 0.22 0.50 0.42 -0.55 8.43 9.02 1lf3A1 GLY 18 HA2 0.14 0.24 0.77 -0.51 4.01 4.65 1lf3A1 GLY 18 HA3 0.16 0.03 0.29 -0.51 4.01 3.98 1lf3A1 ASP 19 H 0.10 0.21 0.23 -0.55 8.40 8.39 1lf3A1 ASP 19 HA 0.15 0.32 1.24 -0.75 4.63 5.59 1lf3A1 ASP 19 HB2 0.05 -0.03 0.15 -0.04 2.71 2.84 1lf3A1 ASP 19 HB3 0.03 0.04 0.09 -0.04 2.70 2.82 1lf3A1 ALA 20 H 0.31 0.56 0.39 -0.55 8.40 9.12 1lf3A1 ALA 20 HA 0.07 0.12 0.79 -0.75 4.34 4.56 1lf3A1 ALA 20 HB3 -0.05 -0.01 -0.11 -0.04 1.41 1.20 1lf3A1 GLU 21 H 0.05 0.77 0.32 -0.55 8.60 9.20 1lf3A1 GLU 21 HA 0.23 0.39 1.07 -0.75 4.29 5.22 1lf3A1 GLU 21 HB2 0.06 -0.08 -0.04 -0.04 2.09 1.99 1lf3A1 GLU 21 HB3 0.09 -0.06 -0.21 -0.04 1.99 1.78 1lf3A1 GLU 21 HG2 0.04 0.08 -0.28 -0.04 2.34 2.14 1lf3A1 GLU 21 HG3 0.06 0.05 -0.45 -0.04 2.34 1.96 1lf3A1 VAL 22 H 0.21 0.62 0.19 -0.55 8.24 8.71 1lf3A1 VAL 22 HA -0.04 0.24 0.88 -0.75 4.13 4.46 1lf3A1 VAL 22 HB -0.21 -0.00 -0.03 -0.04 2.12 1.84 1lf3A1 VAL 22 HG13 -0.77 -0.00 -0.15 -0.04 0.97 0.01 1lf3A1 VAL 22 HG23 -0.38 0.01 -0.35 -0.04 0.95 0.18 1lf3A1 GLY 23 H 0.11 0.73 0.06 -0.55 8.43 8.79 1lf3A1 GLY 23 HA2 0.25 -0.08 0.37 -0.51 4.01 4.04 1lf3A1 GLY 23 HA3 0.27 0.17 0.60 -0.51 4.01 4.53 1lf3A1 ASP 24 H 0.16 0.04 0.14 -0.55 8.40 8.20 1lf3A1 ASP 24 HA 0.09 0.11 0.35 -0.75 4.63 4.43 1lf3A1 ASP 24 HB2 0.10 -0.10 0.20 -0.04 2.71 2.87 1lf3A1 ASP 24 HB3 0.10 -0.12 0.22 -0.04 2.70 2.86 1lf3A1 ASN 25 H 0.11 -0.04 -0.41 -0.55 8.53 7.65 1lf3A1 ASN 25 HA 0.06 0.20 0.60 -0.75 4.76 4.86 1lf3A1 ASN 25 HB2 0.05 0.06 0.11 -0.04 2.88 3.06 1lf3A1 ASN 25 HB3 0.06 0.03 0.06 -0.04 2.79 2.90 1lf3A1 ASN 25 HD21 0.14 -0.01 -0.18 -0.04 7.03 6.93 1lf3A1 ASN 25 HD22 0.11 -0.25 -0.00 -0.04 7.74 7.56 1lf3A1 GLN 26 HE21 0.06 0.13 -0.18 -0.04 6.97 6.94 1lf3A1 GLN 26 HE22 0.05 -0.12 -0.24 -0.04 7.69 7.35 1lf3A1 GLN 26 H 0.09 0.56 -0.46 -0.55 8.47 8.10 1lf3A1 GLN 26 HA 0.08 -0.02 0.11 -0.75 4.36 3.77 1lf3A1 GLN 26 HB2 0.03 0.19 -0.03 -0.04 2.15 2.31 1lf3A1 GLN 26 HB3 0.03 -0.04 0.05 -0.04 2.02 2.02 1lf3A1 GLN 26 HG2 0.05 0.05 -0.32 -0.04 2.40 2.13 1lf3A1 GLN 26 HG3 0.03 0.00 -0.13 -0.04 2.39 2.25 1lf3A1 GLN 27 HE21 0.19 -0.07 -0.05 -0.04 6.97 6.99 1lf3A1 GLN 27 HE22 0.14 0.06 -0.03 -0.04 7.69 7.82 1lf3A1 GLN 27 H 0.14 0.29 0.01 -0.55 8.47 8.37 1lf3A1 GLN 27 HA -0.00 0.15 0.53 -0.75 4.36 4.28 1lf3A1 GLN 27 HB2 0.35 0.04 0.19 -0.04 2.15 2.69 1lf3A1 GLN 27 HB3 0.08 0.08 -0.00 -0.04 2.02 2.14 1lf3A1 GLN 27 HG2 0.07 0.08 -0.00 -0.04 2.40 2.51 1lf3A1 GLN 27 HG3 0.13 -0.08 -0.09 -0.04 2.39 2.30 1lf3A1 PRO 28 HA -0.06 0.09 0.48 -0.51 4.44 4.44 1lf3A1 PRO 28 HB2 -0.29 -0.01 -0.01 -0.04 2.28 1.92 1lf3A1 PRO 28 HB3 -0.12 0.05 0.10 -0.04 2.02 2.00 1lf3A1 PRO 28 HG2 -0.41 -0.01 0.08 -0.04 2.03 1.64 1lf3A1 PRO 28 HG3 -0.17 0.04 0.09 -0.04 2.03 1.95 1lf3A1 PRO 28 HD2 -0.18 0.02 0.23 -0.04 3.68 3.72 1lf3A1 PRO 28 HD3 -0.08 0.30 0.34 -0.04 3.65 4.17 1lf3A1 PHE 29 H -0.03 0.31 0.30 -0.55 8.34 8.38 1lf3A1 PHE 29 HA -0.36 0.08 0.68 -0.75 4.62 4.26 1lf3A1 PHE 29 HB2 -0.13 0.08 -0.07 -0.04 3.15 3.00 1lf3A1 PHE 29 HB3 -0.95 -0.06 -0.08 -0.04 3.06 1.93 1lf3A1 PHE 29 HD2 -0.12 -0.00 -0.12 -0.04 7.28 7.00 1lf3A1 PHE 29 HE2 0.05 0.15 -0.22 -0.04 7.38 7.32 1lf3A1 PHE 29 HZ 0.14 -0.12 -0.55 -0.04 7.32 6.74 1lf3A1 THR 30 H -0.22 0.16 0.23 -0.55 8.28 7.90 1lf3A1 THR 30 HA -0.09 0.18 0.82 -0.75 4.39 4.55 1lf3A1 THR 30 HB -0.20 -0.07 0.27 -0.04 4.32 4.27 1lf3A1 THR 30 HG23 -0.36 0.01 -0.14 -0.04 1.22 0.70 1lf3A1 PHE 31 H 0.13 0.84 0.44 -0.55 8.34 9.20 1lf3A1 PHE 31 HA -0.09 0.31 1.09 -0.75 4.62 5.18 1lf3A1 PHE 31 HB2 -0.06 0.11 -0.04 -0.04 3.15 3.12 1lf3A1 PHE 31 HB3 -0.14 -0.08 -0.19 -0.04 3.06 2.62 1lf3A1 PHE 31 HD2 -0.18 -0.01 -0.42 -0.04 7.28 6.63 1lf3A1 PHE 31 HE2 -0.22 0.13 -0.25 -0.04 7.38 7.00 1lf3A1 PHE 31 HZ -0.45 -0.00 -0.29 -0.04 7.32 6.54 1lf3A1 ILE 32 H -0.10 0.41 0.35 -0.55 8.25 8.35 1lf3A1 ILE 32 HA -0.16 0.26 0.89 -0.75 4.18 4.41 1lf3A1 ILE 32 HB -0.74 0.07 0.13 -0.04 1.89 1.31 1lf3A1 ILE 32 HG12 -0.43 0.06 0.05 -0.04 1.49 1.14 1lf3A1 ILE 32 HG13 -0.09 0.02 -0.06 -0.04 1.21 1.03 1lf3A1 ILE 32 HG23 -0.37 -0.03 -0.12 -0.04 0.93 0.37 1lf3A1 ILE 32 HD13 -0.75 -0.00 -0.06 -0.04 0.88 0.03 1lf3A1 LEU 33 H -0.19 0.31 0.04 -0.55 8.37 7.99 1lf3A1 LEU 33 HA -0.06 0.18 0.64 -0.75 4.35 4.36 1lf3A1 LEU 33 HB2 0.29 0.02 0.11 -0.04 1.64 2.01 1lf3A1 LEU 33 HB3 0.19 0.02 -0.05 -0.04 1.64 1.75 1lf3A1 LEU 33 HG 0.10 0.03 -0.10 -0.04 1.64 1.63 1lf3A1 LEU 33 HD13 0.25 0.01 -0.12 -0.04 0.93 1.03 1lf3A1 LEU 33 HD23 -0.03 -0.01 -0.26 -0.04 0.89 0.56 1lf3A1 ASP 34 H -0.07 0.54 0.19 -0.55 8.40 8.51 1lf3A1 ASP 34 HA -0.06 0.07 0.76 -0.75 4.63 4.64 1lf3A1 ASP 34 HB2 -0.10 0.12 -0.08 -0.04 2.71 2.62 1lf3A1 ASP 34 HB3 0.01 0.04 0.06 -0.04 2.70 2.78 1lf3A1 THR 35 H 0.02 0.10 0.21 -0.55 8.28 8.07 1lf3A1 THR 35 HA 0.16 0.11 0.48 -0.75 4.39 4.39 1lf3A1 THR 35 HB 0.11 0.10 0.16 -0.04 4.32 4.65 1lf3A1 THR 35 HG23 -0.24 0.04 -0.03 -0.04 1.22 0.95 1lf3A1 GLY 36 H 0.15 -0.10 -0.55 -0.55 8.43 7.38 1lf3A1 GLY 36 HA2 0.42 0.19 0.59 -0.51 4.01 4.69 1lf3A1 GLY 36 HA3 0.26 -0.02 0.21 -0.51 4.01 3.95 1lf3A1 SER 37 H 0.17 0.22 -0.14 -0.55 8.46 8.17 1lf3A1 SER 37 HA 0.10 0.31 0.72 -0.75 4.49 4.86 1lf3A1 SER 37 HB2 0.18 -0.08 0.12 -0.04 3.95 4.13 1lf3A1 SER 37 HB3 0.33 0.10 -0.08 -0.04 3.93 4.25 1lf3A1 ALA 38 H 0.07 0.22 0.03 -0.55 8.40 8.17 1lf3A1 ALA 38 HA 0.08 0.04 0.70 -0.75 4.34 4.41 1lf3A1 ALA 38 HB3 0.05 0.03 -0.31 -0.04 1.41 1.14 1lf3A1 ASN 39 H 0.12 0.12 0.05 -0.55 8.53 8.27 1lf3A1 ASN 39 HA 0.14 0.29 0.91 -0.75 4.76 5.35 1lf3A1 ASN 39 HB2 0.12 -0.07 -0.00 -0.04 2.88 2.89 1lf3A1 ASN 39 HB3 0.18 0.07 -0.11 -0.04 2.79 2.90 1lf3A1 ASN 39 HD21 0.17 0.24 0.08 -0.04 7.03 7.48 1lf3A1 ASN 39 HD22 0.16 0.01 0.12 -0.04 7.74 7.99 1lf3A1 LEU 40 H 0.18 0.29 0.21 -0.55 8.37 8.50 1lf3A1 LEU 40 HA -0.03 0.37 1.13 -0.75 4.35 5.06 1lf3A1 LEU 40 HB2 0.02 -0.02 0.02 -0.04 1.64 1.61 1lf3A1 LEU 40 HB3 0.25 0.04 0.12 -0.04 1.64 2.01 1lf3A1 LEU 40 HG -0.03 -0.04 -0.44 -0.04 1.64 1.08 1lf3A1 LEU 40 HD13 -0.46 0.04 -0.06 -0.04 0.93 0.41 1lf3A1 LEU 40 HD23 -0.11 0.00 -0.18 -0.04 0.89 0.57 1lf3A1 TRP 41 H -0.24 0.52 0.30 -0.55 7.97 8.00 1lf3A1 TRP 41 HA 0.05 0.19 0.84 -0.75 4.62 4.95 1lf3A1 TRP 41 HB2 -0.05 0.07 -0.04 -0.04 3.23 3.17 1lf3A1 TRP 41 HB3 -0.03 -0.05 -0.18 -0.04 3.23 2.93 1lf3A1 TRP 41 HD1 0.05 -0.03 -0.24 -0.04 7.22 6.97 1lf3A1 TRP 41 HE1 0.24 0.01 -0.12 -0.04 10.20 10.28 1lf3A1 TRP 41 HE3 -0.05 0.04 -0.62 -0.04 7.59 6.92 1lf3A1 TRP 41 HZ2 -0.28 0.01 -0.16 -0.04 7.44 6.97 1lf3A1 TRP 41 HZ3 -0.05 0.13 -0.06 -0.04 7.13 7.10 1lf3A1 TRP 41 HH2 -0.25 0.08 -0.11 -0.04 7.19 6.87 1lf3A1 VAL 42 H 0.21 0.51 0.28 -0.55 8.24 8.70 1lf3A1 VAL 42 HA -0.11 0.20 0.75 -0.75 4.13 4.21 1lf3A1 VAL 42 HB -0.75 0.15 -0.02 -0.04 2.12 1.47 1lf3A1 VAL 42 HG13 -0.63 -0.02 -0.29 -0.04 0.97 -0.00 1lf3A1 VAL 42 HG23 -0.51 -0.03 -0.13 -0.04 0.95 0.24 1lf3A1 PRO 43 HA 0.21 0.02 0.76 -0.51 4.44 4.91 1lf3A1 PRO 43 HB2 0.25 0.11 0.04 -0.04 2.28 2.64 1lf3A1 PRO 43 HB3 0.39 -0.03 0.09 -0.04 2.02 2.43 1lf3A1 PRO 43 HG2 0.34 0.32 0.26 -0.04 2.03 2.90 1lf3A1 PRO 43 HG3 0.33 0.04 0.12 -0.04 2.03 2.48 1lf3A1 PRO 43 HD2 0.05 0.04 0.16 -0.04 3.68 3.89 1lf3A1 PRO 43 HD3 0.31 0.32 -0.01 -0.04 3.65 4.23 1lf3A1 SER 44 H 0.12 0.67 0.40 -0.55 8.46 9.10 1lf3A1 SER 44 HA 0.20 0.17 0.84 -0.75 4.49 4.95 1lf3A1 SER 44 HB2 0.09 -0.01 0.02 -0.04 3.95 4.01 1lf3A1 SER 44 HB3 0.10 0.04 0.04 -0.04 3.93 4.08 1lf3A1 VAL 45 H 0.06 0.35 0.25 -0.55 8.24 8.36 1lf3A1 VAL 45 HA 0.06 0.22 0.51 -0.75 4.13 4.17 1lf3A1 VAL 45 HB 0.02 0.04 0.03 -0.04 2.12 2.16 1lf3A1 VAL 45 HG13 0.03 0.02 -0.19 -0.04 0.97 0.79 1lf3A1 VAL 45 HG23 -0.02 0.04 0.07 -0.04 0.95 1.00 1lf3A1 LYS 46 H 0.08 -0.08 -0.18 -0.55 8.42 7.68 1lf3A1 LYS 46 HA 0.05 0.18 0.51 -0.75 4.32 4.30 1lf3A1 LYS 46 HB2 0.15 -0.09 0.04 -0.04 1.87 1.94 1lf3A1 LYS 46 HB3 0.12 0.01 0.01 -0.04 1.79 1.88 1lf3A1 LYS 46 HG2 0.05 0.07 0.02 -0.04 1.46 1.56 1lf3A1 LYS 46 HG3 0.06 -0.05 -0.02 -0.04 1.46 1.40 1lf3A1 LYS 46 HD2 0.09 0.01 -0.00 -0.04 1.69 1.75 1lf3A1 LYS 46 HD3 0.04 0.03 0.00 -0.04 1.68 1.70 1lf3A1 LYS 46 HE2 0.12 -0.05 0.02 -0.04 2.99 3.04 1lf3A1 LYS 46 HE3 0.39 -0.02 -0.00 -0.04 2.99 3.32 1lf3A1 CYS 47 H 0.08 0.20 -0.53 -0.55 8.50 7.71 1lf3A1 CYS 47 HA 0.06 0.06 0.71 -0.75 4.58 4.65 1lf3A1 CYS 47 HB2 0.07 0.09 0.36 -0.04 2.97 3.45 1lf3A1 CYS 47 HB3 0.10 0.30 0.19 -0.04 2.97 3.52 1lf3A1 THR 48 H 0.04 0.16 0.28 -0.55 8.28 8.22 1lf3A1 THR 48 HA 0.03 0.30 0.82 -0.75 4.39 4.78 1lf3A1 THR 48 HB 0.02 -0.04 0.17 -0.04 4.32 4.42 1lf3A1 THR 48 HG23 0.02 0.06 -0.11 -0.04 1.22 1.15 1lf3A1 THR 49 H 0.05 0.05 -0.06 -0.55 8.28 7.76 1lf3A1 THR 49 HA 0.03 0.17 0.61 -0.75 4.39 4.45 1lf3A1 THR 49 HB 0.05 -0.01 0.09 -0.04 4.32 4.41 1lf3A1 THR 49 HG23 0.03 -0.02 0.16 -0.04 1.22 1.34 1lf3A1 ALA 50 H 0.03 0.13 0.14 -0.55 8.40 8.16 1lf3A1 ALA 50 HA 0.01 0.17 0.32 -0.75 4.34 4.08 1lf3A1 ALA 50 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 1lf3A1 GLY 51 H 0.08 -0.01 -0.19 -0.55 8.43 7.76 1lf3A1 GLY 51 HA2 -0.04 0.11 0.30 -0.51 4.01 3.87 1lf3A1 GLY 51 HA3 0.19 -0.02 0.21 -0.51 4.01 3.87 1lf3A1 CYS 52 H 0.13 -0.00 -0.42 -0.55 8.50 7.66 1lf3A1 CYS 52 HA 0.11 0.04 0.27 -0.75 4.58 4.24 1lf3A1 CYS 52 HB2 0.08 0.17 -0.11 -0.04 2.97 3.06 1lf3A1 CYS 52 HB3 0.10 0.16 -0.04 -0.04 2.97 3.14 1lf3A1 LEU 53 H -0.00 0.45 -0.40 -0.55 8.37 7.87 1lf3A1 LEU 53 HA -0.02 0.09 0.40 -0.75 4.35 4.06 1lf3A1 LEU 53 HB2 -0.03 0.06 0.05 -0.04 1.64 1.68 1lf3A1 LEU 53 HB3 -0.03 -0.05 0.09 -0.04 1.64 1.61 1lf3A1 LEU 53 HG 0.00 0.05 -0.01 -0.04 1.64 1.63 1lf3A1 LEU 53 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.83 1lf3A1 LEU 53 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.71 1lf3A1 THR 54 H -0.10 0.33 -0.27 -0.55 8.28 7.69 1lf3A1 THR 54 HA -0.12 0.15 0.86 -0.75 4.39 4.53 1lf3A1 THR 54 HB -0.15 -0.02 0.09 -0.04 4.32 4.19 1lf3A1 THR 54 HG23 -0.09 -0.02 -0.06 -0.04 1.22 1.00 1lf3A1 LYS 55 H -0.11 0.14 -0.20 -0.55 8.42 7.70 1lf3A1 LYS 55 HA -0.19 0.13 0.59 -0.75 4.32 4.09 1lf3A1 LYS 55 HB2 0.06 0.05 -0.04 -0.04 1.87 1.90 1lf3A1 LYS 55 HB3 0.05 -0.10 0.16 -0.04 1.79 1.86 1lf3A1 LYS 55 HG2 -0.23 0.06 -0.05 -0.04 1.46 1.20 1lf3A1 LYS 55 HG3 -0.10 -0.08 -0.06 -0.04 1.46 1.19 1lf3A1 LYS 55 HD2 -0.31 0.09 -0.11 -0.04 1.69 1.31 1lf3A1 LYS 55 HD3 -0.31 -0.01 -0.36 -0.04 1.68 0.95 1lf3A1 LYS 55 HE2 -0.83 -0.06 -0.16 -0.04 2.99 1.90 1lf3A1 LYS 55 HE3 -2.00 -0.10 -0.13 -0.04 2.99 0.71 1lf3A1 HIS 56 H 0.07 0.04 0.17 -0.55 8.41 8.14 1lf3A1 HIS 56 HA -0.11 0.12 0.65 -0.75 4.63 4.54 1lf3A1 HIS 56 HB2 -0.33 -0.12 0.18 -0.04 3.26 2.94 1lf3A1 HIS 56 HB3 -0.60 0.11 0.05 -0.04 3.20 2.72 1lf3A1 HIS 56 HD2 -0.20 0.00 0.01 -0.04 6.97 6.74 1lf3A1 HIS 56 HE1 -0.13 0.01 -0.02 -0.04 7.75 7.57 1lf3A1 LEU 57 H 0.04 0.16 0.12 -0.55 8.37 8.15 1lf3A1 LEU 57 HA 0.36 0.34 1.01 -0.75 4.35 5.32 1lf3A1 LEU 57 HB2 0.08 -0.06 -0.06 -0.04 1.64 1.57 1lf3A1 LEU 57 HB3 0.14 -0.11 -0.44 -0.04 1.64 1.19 1lf3A1 LEU 57 HG 0.06 0.09 -0.46 -0.04 1.64 1.28 1lf3A1 LEU 57 HD13 0.04 0.00 -0.06 -0.04 0.93 0.88 1lf3A1 LEU 57 HD23 0.15 0.16 -0.27 -0.04 0.89 0.88 1lf3A1 TYR 58 H 0.42 0.59 0.23 -0.55 8.29 8.98 1lf3A1 TYR 58 HA 0.30 0.11 0.55 -0.75 4.56 4.77 1lf3A1 TYR 58 HB2 0.04 0.08 -0.05 -0.04 3.06 3.09 1lf3A1 TYR 58 HB3 0.08 0.03 0.04 -0.04 2.98 3.09 1lf3A1 TYR 58 HD2 0.14 0.04 -0.14 -0.04 7.15 7.15 1lf3A1 TYR 58 HE2 0.19 -0.02 -0.19 -0.04 6.85 6.79 1lf3A1 ASP 59 H -0.05 0.28 0.09 -0.55 8.40 8.18 1lf3A1 ASP 59 HA -0.26 0.11 0.96 -0.75 4.63 4.69 1lf3A1 ASP 59 HB2 -0.04 0.15 -0.06 -0.04 2.71 2.72 1lf3A1 ASP 59 HB3 -0.07 0.01 0.15 -0.04 2.70 2.76 1lf3A1 SER 60 H -0.60 0.21 0.06 -0.55 8.46 7.59 1lf3A1 SER 60 HA -0.53 0.06 0.41 -0.75 4.49 3.68 1lf3A1 SER 60 HB2 -1.88 0.06 0.03 -0.04 3.95 2.12 1lf3A1 SER 60 HB3 -0.97 0.01 0.06 -0.04 3.93 3.00 1lf3A1 SER 61 H -0.19 0.07 -0.10 -0.55 8.46 7.69 1lf3A1 SER 61 HA -0.01 0.12 0.29 -0.75 4.49 4.14 1lf3A1 SER 61 HB2 -0.01 0.07 0.05 -0.04 3.95 4.02 1lf3A1 SER 61 HB3 -0.04 -0.01 0.08 -0.04 3.93 3.91 1lf3A1 LYS 62 H -0.08 0.20 -0.80 -0.55 8.42 7.18 1lf3A1 LYS 62 HA 0.01 0.16 0.63 -0.75 4.32 4.37 1lf3A1 LYS 62 HB2 -0.00 0.13 0.05 -0.04 1.87 2.01 1lf3A1 LYS 62 HB3 0.02 -0.01 0.08 -0.04 1.79 1.84 1lf3A1 LYS 62 HG2 -0.03 -0.14 -0.13 -0.04 1.46 1.12 1lf3A1 LYS 62 HG3 -0.01 0.02 -0.00 -0.04 1.46 1.43 1lf3A1 LYS 62 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 1lf3A1 LYS 62 HD3 0.01 0.05 -0.04 -0.04 1.68 1.65 1lf3A1 LYS 62 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.93 1lf3A1 LYS 62 HE3 0.00 0.02 -0.03 -0.04 2.99 2.94 1lf3A1 SER 63 H 0.03 0.64 -0.02 -0.55 8.46 8.56 1lf3A1 SER 63 HA 0.10 0.09 1.00 -0.75 4.49 4.93 1lf3A1 SER 63 HB2 0.21 0.04 0.08 -0.04 3.95 4.24 1lf3A1 SER 63 HB3 0.22 0.13 0.24 -0.04 3.93 4.48 1lf3A1 ARG 64 H 0.09 0.16 0.19 -0.55 8.46 8.34 1lf3A1 ARG 64 HA 0.09 0.17 0.42 -0.75 4.34 4.26 1lf3A1 ARG 64 HB2 0.06 0.06 0.13 -0.04 1.90 2.11 1lf3A1 ARG 64 HB3 0.07 -0.06 0.11 -0.04 1.80 1.88 1lf3A1 ARG 64 HG2 0.05 0.02 -0.04 -0.04 1.67 1.66 1lf3A1 ARG 64 HG3 0.05 0.03 0.06 -0.04 1.67 1.78 1lf3A1 ARG 64 HD2 0.04 0.01 -0.00 -0.04 3.22 3.23 1lf3A1 ARG 64 HD3 0.04 0.02 0.02 -0.04 3.22 3.25 1lf3A1 THR 65 H 0.12 -0.11 -0.04 -0.55 8.28 7.70 1lf3A1 THR 65 HA 0.08 0.25 0.54 -0.75 4.39 4.51 1lf3A1 THR 65 HB 0.10 0.03 0.13 -0.04 4.32 4.54 1lf3A1 THR 65 HG23 0.07 0.03 0.02 -0.04 1.22 1.29 1lf3A1 TYR 66 H 0.26 0.27 -0.58 -0.55 8.29 7.69 1lf3A1 TYR 66 HA 0.17 0.01 0.54 -0.75 4.56 4.54 1lf3A1 TYR 66 HB2 0.19 -0.13 0.16 -0.04 3.06 3.23 1lf3A1 TYR 66 HB3 0.10 0.25 0.11 -0.04 2.98 3.40 1lf3A1 TYR 66 HD2 0.17 0.08 -0.07 -0.04 7.15 7.29 1lf3A1 TYR 66 HE2 0.12 -0.01 -0.06 -0.04 6.85 6.86 1lf3A1 GLU 67 H -0.31 0.58 0.33 -0.55 8.60 8.65 1lf3A1 GLU 67 HA -0.36 0.13 0.86 -0.75 4.29 4.16 1lf3A1 GLU 67 HB2 -0.10 0.09 -0.13 -0.04 2.09 1.91 1lf3A1 GLU 67 HB3 -0.14 -0.11 0.13 -0.04 1.99 1.83 1lf3A1 GLU 67 HG2 -0.14 0.10 -0.11 -0.04 2.34 2.15 1lf3A1 GLU 67 HG3 -0.11 0.01 0.05 -0.04 2.34 2.25 1lf3A1 LYS 68 H -0.50 0.17 0.07 -0.55 8.42 7.61 1lf3A1 LYS 68 HA -0.13 -0.04 0.49 -0.75 4.32 3.88 1lf3A1 LYS 68 HB2 0.01 -0.00 0.07 -0.04 1.87 1.91 1lf3A1 LYS 68 HB3 -0.06 0.05 0.07 -0.04 1.79 1.80 1lf3A1 LYS 68 HG2 0.05 0.09 -0.34 -0.04 1.46 1.22 1lf3A1 LYS 68 HG3 0.20 -0.09 -0.01 -0.04 1.46 1.52 1lf3A1 LYS 68 HD2 0.13 -0.02 -0.03 -0.04 1.69 1.73 1lf3A1 LYS 68 HD3 0.04 0.03 -0.06 -0.04 1.68 1.65 1lf3A1 LYS 68 HE2 0.01 0.01 -0.04 -0.04 2.99 2.92 1lf3A1 LYS 68 HE3 0.01 0.06 -0.10 -0.04 2.99 2.91 1lf3A1 ASP 69 H 0.13 0.05 0.22 -0.55 8.40 8.25 1lf3A1 ASP 69 HA -0.01 0.21 0.77 -0.75 4.63 4.85 1lf3A1 ASP 69 HB2 -0.02 0.09 -0.15 -0.04 2.71 2.59 1lf3A1 ASP 69 HB3 0.12 0.04 -0.18 -0.04 2.70 2.63 1lf3A1 GLY 70 H 0.28 0.50 0.22 -0.55 8.43 8.88 1lf3A1 GLY 70 HA2 0.29 0.02 0.34 -0.51 4.01 4.15 1lf3A1 GLY 70 HA3 0.06 0.12 0.47 -0.51 4.01 4.15 1lf3A1 THR 71 H 0.19 0.05 -0.29 -0.55 8.28 7.68 1lf3A1 THR 71 HA 0.11 0.08 0.49 -0.75 4.39 4.32 1lf3A1 THR 71 HB 0.42 -0.10 0.09 -0.04 4.32 4.69 1lf3A1 THR 71 HG23 0.14 0.07 -0.03 -0.04 1.22 1.35 1lf3A1 LYS 72 H 0.09 0.11 0.28 -0.55 8.42 8.35 1lf3A1 LYS 72 HA 0.09 0.16 0.74 -0.75 4.32 4.56 1lf3A1 LYS 72 HB2 0.03 -0.03 0.16 -0.04 1.87 1.98 1lf3A1 LYS 72 HB3 0.02 0.00 0.09 -0.04 1.79 1.86 1lf3A1 LYS 72 HG2 0.04 0.01 0.05 -0.04 1.46 1.53 1lf3A1 LYS 72 HG3 0.03 0.05 0.16 -0.04 1.46 1.67 1lf3A1 LYS 72 HD2 0.01 -0.01 0.05 -0.04 1.69 1.70 1lf3A1 LYS 72 HD3 0.00 -0.02 0.02 -0.04 1.68 1.65 1lf3A1 LYS 72 HE2 -0.02 0.03 0.04 -0.04 2.99 2.99 1lf3A1 LYS 72 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.94 1lf3A1 VAL 73 H -0.08 0.71 0.45 -0.55 8.24 8.77 1lf3A1 VAL 73 HA -0.04 0.12 0.66 -0.75 4.13 4.11 1lf3A1 VAL 73 HB -0.20 0.10 -0.26 -0.04 2.12 1.72 1lf3A1 VAL 73 HG13 -0.67 -0.01 -0.25 -0.04 0.97 -0.00 1lf3A1 VAL 73 HG23 -0.14 -0.00 -0.16 -0.04 0.95 0.61 1lf3A1 GLU 74 H -0.09 0.24 0.11 -0.55 8.60 8.32 1lf3A1 GLU 74 HA -0.17 0.16 1.07 -0.75 4.29 4.61 1lf3A1 GLU 74 HB2 -0.08 -0.02 -0.06 -0.04 2.09 1.90 1lf3A1 GLU 74 HB3 -0.07 0.01 0.14 -0.04 1.99 2.03 1lf3A1 GLU 74 HG2 -0.11 0.03 -0.31 -0.04 2.34 1.91 1lf3A1 GLU 74 HG3 -0.11 -0.02 -0.13 -0.04 2.34 2.04 1lf3A1 MET 75 H -0.27 0.63 0.30 -0.55 8.47 8.58 1lf3A1 MET 75 HA -0.21 0.09 0.73 -0.75 4.52 4.38 1lf3A1 MET 75 HB2 -0.26 -0.04 -0.04 -0.04 2.15 1.77 1lf3A1 MET 75 HB3 -0.45 0.03 0.13 -0.04 2.03 1.69 1lf3A1 MET 75 HG2 -0.08 -0.03 -0.15 -0.04 2.63 2.33 1lf3A1 MET 75 HG3 -0.64 0.04 -0.35 -0.04 2.56 1.56 1lf3A1 MET 75 HE3 -0.39 0.01 -0.03 -0.04 2.10 1.65 1lf3A1 ASN 76 H -0.24 0.22 0.20 -0.55 8.53 8.16 1lf3A1 ASN 76 HA -0.15 0.25 1.29 -0.75 4.76 5.39 1lf3A1 ASN 76 HB2 -0.06 0.02 0.01 -0.04 2.88 2.81 1lf3A1 ASN 76 HB3 -0.03 0.05 0.00 -0.04 2.79 2.77 1lf3A1 ASN 76 HD21 -0.06 -0.02 -0.17 -0.04 7.03 6.74 1lf3A1 ASN 76 HD22 -0.05 0.01 -0.13 -0.04 7.74 7.53 1lf3A1 TYR 77 H 0.17 0.87 0.29 -0.55 8.29 9.06 1lf3A1 TYR 77 HA 0.10 0.19 0.80 -0.75 4.56 4.89 1lf3A1 TYR 77 HB2 0.23 0.01 0.00 -0.04 3.06 3.26 1lf3A1 TYR 77 HB3 0.17 -0.16 0.16 -0.04 2.98 3.11 1lf3A1 TYR 77 HD2 0.08 0.09 -0.13 -0.04 7.15 7.14 1lf3A1 TYR 77 HE2 0.03 -0.04 -0.17 -0.04 6.85 6.64 1lf3A1 VAL 78 H 0.29 0.11 0.14 -0.55 8.24 8.23 1lf3A1 VAL 78 HA 0.11 0.19 0.65 -0.75 4.13 4.32 1lf3A1 VAL 78 HB 0.14 -0.04 0.12 -0.04 2.12 2.29 1lf3A1 VAL 78 HG13 0.06 0.02 -0.10 -0.04 0.97 0.91 1lf3A1 VAL 78 HG23 0.09 0.01 -0.01 -0.04 0.95 1.00 1lf3A1 SER 79 H 0.24 -0.02 -0.03 -0.55 8.46 8.11 1lf3A1 SER 79 HA 0.10 0.25 0.72 -0.75 4.49 4.79 1lf3A1 SER 79 HB2 0.02 0.02 0.14 -0.04 3.95 4.10 1lf3A1 SER 79 HB3 0.08 0.02 0.01 -0.04 3.93 3.99 1lf3A1 GLY 80 H 0.24 0.19 -0.57 -0.55 8.43 7.75 1lf3A1 GLY 80 HA2 0.21 0.13 0.34 -0.51 4.01 4.17 1lf3A1 GLY 80 HA3 0.55 0.18 0.93 -0.51 4.01 5.16 1lf3A1 THR 81 H 0.17 0.69 0.21 -0.55 8.28 8.79 1lf3A1 THR 81 HA -0.06 0.31 1.10 -0.75 4.39 4.98 1lf3A1 THR 81 HB -0.01 -0.04 0.03 -0.04 4.32 4.26 1lf3A1 THR 81 HG23 -0.11 -0.00 -0.24 -0.04 1.22 0.82 1lf3A1 VAL 82 H -0.29 0.72 0.32 -0.55 8.24 8.43 1lf3A1 VAL 82 HA -0.31 0.18 0.82 -0.75 4.13 4.07 1lf3A1 VAL 82 HB -0.86 -0.04 -0.04 -0.04 2.12 1.15 1lf3A1 VAL 82 HG13 -1.01 -0.01 -0.25 -0.04 0.97 -0.34 1lf3A1 VAL 82 HG23 -1.14 0.01 -0.10 -0.04 0.95 -0.32 1lf3A1 SER 83 H -0.23 0.38 0.35 -0.55 8.46 8.41 1lf3A1 SER 83 HA -0.22 0.25 1.18 -0.75 4.49 4.94 1lf3A1 SER 83 HB2 -0.08 0.07 0.12 -0.04 3.95 4.02 1lf3A1 SER 83 HB3 -0.11 0.01 0.06 -0.04 3.93 3.85 1lf3A1 GLY 84 H -0.14 0.72 0.43 -0.55 8.43 8.89 1lf3A1 GLY 84 HA2 0.03 -0.07 0.55 -0.51 4.01 4.01 1lf3A1 GLY 84 HA3 -0.18 0.47 0.69 -0.51 4.01 4.48 1lf3A1 PHE 85 H -0.56 0.42 0.36 -0.55 8.34 8.00 1lf3A1 PHE 85 HA -0.10 0.26 0.99 -0.75 4.62 5.01 1lf3A1 PHE 85 HB2 0.03 -0.03 -0.32 -0.04 3.15 2.79 1lf3A1 PHE 85 HB3 -0.01 0.01 -0.19 -0.04 3.06 2.83 1lf3A1 PHE 85 HD2 0.04 -0.01 -0.05 -0.04 7.28 7.22 1lf3A1 PHE 85 HE2 0.07 -0.03 -0.02 -0.04 7.38 7.36 1lf3A1 PHE 85 HZ 0.05 -0.04 -0.01 -0.04 7.32 7.27 1lf3A1 PHE 86 H 0.19 0.83 0.23 -0.55 8.34 9.04 1lf3A1 PHE 86 HA -0.13 0.16 0.59 -0.75 4.62 4.50 1lf3A1 PHE 86 HB2 -0.01 -0.14 0.14 -0.04 3.15 3.10 1lf3A1 PHE 86 HB3 -0.10 0.04 0.05 -0.04 3.06 3.01 1lf3A1 PHE 86 HD2 -0.08 0.08 -0.11 -0.04 7.28 7.13 1lf3A1 PHE 86 HE2 -0.05 0.01 -0.16 -0.04 7.38 7.14 1lf3A1 PHE 86 HZ -0.04 0.02 -0.29 -0.04 7.32 6.96 1lf3A1 SER 87 H -0.12 0.65 0.42 -0.55 8.46 8.87 1lf3A1 SER 87 HA 0.03 0.02 0.64 -0.75 4.49 4.42 1lf3A1 SER 87 HB2 -0.46 -0.01 -0.11 -0.04 3.95 3.33 1lf3A1 SER 87 HB3 0.26 -0.01 0.03 -0.04 3.93 4.17 1lf3A1 LYS 88 H -0.10 0.51 0.30 -0.55 8.42 8.57 1lf3A1 LYS 88 HA -0.26 0.28 1.07 -0.75 4.32 4.66 1lf3A1 LYS 88 HB2 -0.14 -0.05 -0.12 -0.04 1.87 1.52 1lf3A1 LYS 88 HB3 -0.10 0.04 0.09 -0.04 1.79 1.78 1lf3A1 LYS 88 HG2 -0.00 -0.03 -0.22 -0.04 1.46 1.16 1lf3A1 LYS 88 HG3 -0.06 0.06 -0.35 -0.04 1.46 1.07 1lf3A1 LYS 88 HD2 -0.09 -0.02 -0.13 -0.04 1.69 1.41 1lf3A1 LYS 88 HD3 -0.06 0.00 -0.11 -0.04 1.68 1.48 1lf3A1 LYS 88 HE2 -0.00 -0.02 -0.14 -0.04 2.99 2.78 1lf3A1 LYS 88 HE3 -0.02 0.05 -0.30 -0.04 2.99 2.69 1lf3A1 ASP 89 H 0.18 0.66 0.32 -0.55 8.40 9.02 1lf3A1 ASP 89 HA 0.20 0.24 0.42 -0.75 4.63 4.73 1lf3A1 ASP 89 HB2 0.56 0.04 -0.32 -0.04 2.71 2.95 1lf3A1 ASP 89 HB3 0.48 0.06 -0.12 -0.04 2.70 3.08 1lf3A1 LEU 90 H 0.17 0.00 0.04 -0.55 8.37 8.04 1lf3A1 LEU 90 HA 0.11 0.11 0.20 -0.75 4.35 4.01 1lf3A1 LEU 90 HB2 0.10 0.01 -0.00 -0.04 1.64 1.70 1lf3A1 LEU 90 HB3 0.11 -0.15 -0.28 -0.04 1.64 1.28 1lf3A1 LEU 90 HG 0.06 0.03 -0.33 -0.04 1.64 1.35 1lf3A1 LEU 90 HD13 0.05 0.01 -0.23 -0.04 0.93 0.72 1lf3A1 LEU 90 HD23 0.06 0.03 -0.14 -0.04 0.89 0.80 1lf3A1 VAL 91 H 0.07 0.23 0.14 -0.55 8.24 8.13 1lf3A1 VAL 91 HA 0.00 0.23 0.92 -0.75 4.13 4.53 1lf3A1 VAL 91 HB 0.04 0.08 0.20 -0.04 2.12 2.39 1lf3A1 VAL 91 HG13 -0.12 -0.00 -0.21 -0.04 0.97 0.60 1lf3A1 VAL 91 HG23 0.18 0.02 -0.14 -0.04 0.95 0.97 1lf3A1 THR 92 H 0.01 0.65 0.06 -0.55 8.28 8.44 1lf3A1 THR 92 HA -0.01 0.30 0.97 -0.75 4.39 4.90 1lf3A1 THR 92 HB 0.03 -0.06 -0.01 -0.04 4.32 4.24 1lf3A1 THR 92 HG23 0.02 -0.01 -0.41 -0.04 1.22 0.78 1lf3A1 VAL 93 H -0.04 0.78 0.19 -0.55 8.24 8.61 1lf3A1 VAL 93 HA -0.04 0.14 0.95 -0.75 4.13 4.43 1lf3A1 VAL 93 HB -0.09 -0.01 0.19 -0.04 2.12 2.17 1lf3A1 VAL 93 HG13 -0.12 -0.00 -0.08 -0.04 0.97 0.73 1lf3A1 VAL 93 HG23 -0.17 0.02 -0.17 -0.04 0.95 0.60 1lf3A1 GLY 94 H 0.01 0.27 0.01 -0.55 8.43 8.18 1lf3A1 GLY 94 HA2 0.03 0.08 0.38 -0.51 4.01 3.99 1lf3A1 GLY 94 HA3 0.02 0.07 0.54 -0.51 4.01 4.12 1lf3A1 ASN 95 H 0.00 0.17 0.21 -0.55 8.53 8.37 1lf3A1 ASN 95 HA 0.01 0.10 0.45 -0.75 4.76 4.58 1lf3A1 ASN 95 HB2 0.01 0.01 0.13 -0.04 2.88 3.00 1lf3A1 ASN 95 HB3 0.02 0.08 -0.10 -0.04 2.79 2.75 1lf3A1 ASN 95 HD21 0.02 0.01 -0.02 -0.04 7.03 7.01 1lf3A1 ASN 95 HD22 0.03 0.02 -0.12 -0.04 7.74 7.63 1lf3A1 LEU 96 H -0.01 0.22 0.05 -0.55 8.37 8.09 1lf3A1 LEU 96 HA -0.00 0.22 0.86 -0.75 4.35 4.67 1lf3A1 LEU 96 HB2 -0.03 0.00 0.20 -0.04 1.64 1.78 1lf3A1 LEU 96 HB3 -0.02 0.03 0.01 -0.04 1.64 1.63 1lf3A1 LEU 96 HG -0.00 -0.13 -0.06 -0.04 1.64 1.41 1lf3A1 LEU 96 HD13 -0.01 -0.00 -0.04 -0.04 0.93 0.83 1lf3A1 LEU 96 HD23 0.00 0.08 -0.03 -0.04 0.89 0.90 1lf3A1 SER 97 H 0.00 0.28 0.11 -0.55 8.46 8.30 1lf3A1 SER 97 HA -0.00 0.38 1.00 -0.75 4.49 5.11 1lf3A1 SER 97 HB2 0.02 0.02 -0.11 -0.04 3.95 3.84 1lf3A1 SER 97 HB3 0.03 -0.09 -0.18 -0.04 3.93 3.65 1lf3A1 LEU 98 H 0.02 0.33 0.24 -0.55 8.37 8.42 1lf3A1 LEU 98 HA 0.03 0.17 0.52 -0.75 4.35 4.32 1lf3A1 LEU 98 HB2 0.02 0.07 -0.02 -0.04 1.64 1.67 1lf3A1 LEU 98 HB3 -0.01 0.07 -0.38 -0.04 1.64 1.29 1lf3A1 LEU 98 HG 0.06 -0.05 -0.46 -0.04 1.64 1.15 1lf3A1 LEU 98 HD13 -0.05 -0.00 -0.16 -0.04 0.93 0.68 1lf3A1 LEU 98 HD23 -0.11 0.02 -0.09 -0.04 0.89 0.67 1lf3A1 PRO 99 HA 0.11 0.04 0.28 -0.51 4.44 4.37 1lf3A1 PRO 99 HB2 0.04 0.03 0.11 -0.04 2.28 2.43 1lf3A1 PRO 99 HB3 0.05 0.04 -0.03 -0.04 2.02 2.03 1lf3A1 PRO 99 HG2 0.04 0.08 0.04 -0.04 2.03 2.14 1lf3A1 PRO 99 HG3 0.05 -0.03 -0.02 -0.04 2.03 1.99 1lf3A1 PRO 99 HD2 0.04 0.15 0.16 -0.04 3.68 3.99 1lf3A1 PRO 99 HD3 0.04 0.13 0.10 -0.04 3.65 3.88 1lf3A1 TYR 100 H 0.22 0.48 0.38 -0.55 8.29 8.81 1lf3A1 TYR 100 HA 0.01 0.17 0.86 -0.75 4.56 4.84 1lf3A1 TYR 100 HB2 0.01 0.05 -0.13 -0.04 3.06 2.96 1lf3A1 TYR 100 HB3 0.08 -0.02 -0.02 -0.04 2.98 2.98 1lf3A1 TYR 100 HD2 0.02 0.01 -0.08 -0.04 7.15 7.05 1lf3A1 TYR 100 HE2 -0.02 0.06 -0.05 -0.04 6.85 6.80 1lf3A1 LYS 101 H -0.85 0.18 0.15 -0.55 8.42 7.34 1lf3A1 LYS 101 HA -0.27 0.23 1.14 -0.75 4.32 4.66 1lf3A1 LYS 101 HB2 -0.24 -0.01 0.02 -0.04 1.87 1.60 1lf3A1 LYS 101 HB3 -0.36 -0.02 0.16 -0.04 1.79 1.53 1lf3A1 LYS 101 HG2 -0.10 -0.02 -0.15 -0.04 1.46 1.15 1lf3A1 LYS 101 HG3 -0.17 0.13 0.01 -0.04 1.46 1.38 1lf3A1 LYS 101 HD2 -0.41 -0.08 -0.06 -0.04 1.69 1.11 1lf3A1 LYS 101 HD3 -0.23 0.00 -0.06 -0.04 1.68 1.35 1lf3A1 LYS 101 HE2 -0.28 0.02 -0.02 -0.04 2.99 2.67 1lf3A1 LYS 101 HE3 -0.35 -0.02 -0.03 -0.04 2.99 2.56 1lf3A1 PHE 102 H -0.68 0.50 0.34 -0.55 8.34 7.95 1lf3A1 PHE 102 HA 0.01 0.17 0.98 -0.75 4.62 5.03 1lf3A1 PHE 102 HB2 0.00 0.06 -0.04 -0.04 3.15 3.13 1lf3A1 PHE 102 HB3 0.02 -0.04 -0.19 -0.04 3.06 2.80 1lf3A1 PHE 102 HD2 -0.05 0.09 -0.41 -0.04 7.28 6.87 1lf3A1 PHE 102 HE2 -0.14 -0.04 -0.21 -0.04 7.38 6.95 1lf3A1 PHE 102 HZ -0.42 -0.07 -0.26 -0.04 7.32 6.52 1lf3A1 ILE 103 H 0.27 0.62 0.40 -0.55 8.25 8.98 1lf3A1 ILE 103 HA -0.26 0.14 0.72 -0.75 4.18 4.04 1lf3A1 ILE 103 HB 0.09 -0.04 -0.00 -0.04 1.89 1.89 1lf3A1 ILE 103 HG12 -0.88 0.03 -0.22 -0.04 1.49 0.39 1lf3A1 ILE 103 HG13 -0.08 0.02 -0.14 -0.04 1.21 0.97 1lf3A1 ILE 103 HG23 -0.30 -0.01 -0.44 -0.04 0.93 0.13 1lf3A1 ILE 103 HD13 -0.18 -0.01 -0.20 -0.04 0.88 0.45 1lf3A1 GLU 104 H -0.32 0.64 0.18 -0.55 8.60 8.55 1lf3A1 GLU 104 HA 0.08 0.19 0.77 -0.75 4.29 4.57 1lf3A1 GLU 104 HB2 -0.43 0.12 0.09 -0.04 2.09 1.82 1lf3A1 GLU 104 HB3 -0.96 -0.11 0.12 -0.04 1.99 1.00 1lf3A1 GLU 104 HG2 0.07 -0.03 -0.03 -0.04 2.34 2.31 1lf3A1 GLU 104 HG3 0.37 0.04 -0.06 -0.04 2.34 2.65 1lf3A1 VAL 105 H 0.06 0.70 0.27 -0.55 8.24 8.72 1lf3A1 VAL 105 HA -0.17 0.18 0.85 -0.75 4.13 4.24 1lf3A1 VAL 105 HB 0.00 0.08 -0.06 -0.04 2.12 2.10 1lf3A1 VAL 105 HG13 -0.33 -0.00 -0.26 -0.04 0.97 0.33 1lf3A1 VAL 105 HG23 -0.67 0.01 -0.33 -0.04 0.95 -0.09 1lf3A1 ILE 106 H -0.06 0.44 0.47 -0.55 8.25 8.55 1lf3A1 ILE 106 HA 0.05 0.15 1.03 -0.75 4.18 4.65 1lf3A1 ILE 106 HB 0.08 0.07 0.01 -0.04 1.89 2.01 1lf3A1 ILE 106 HG12 0.09 0.00 0.14 -0.04 1.49 1.68 1lf3A1 ILE 106 HG13 0.03 0.01 -0.10 -0.04 1.21 1.12 1lf3A1 ILE 106 HG23 0.19 -0.02 -0.25 -0.04 0.93 0.81 1lf3A1 ILE 106 HD13 0.14 0.01 -0.05 -0.04 0.88 0.94 1lf3A1 ASP 107 H -0.09 0.37 0.27 -0.55 8.40 8.41 1lf3A1 ASP 107 HA -0.02 0.13 1.09 -0.75 4.63 5.08 1lf3A1 ASP 107 HB2 -0.02 0.10 -0.05 -0.04 2.71 2.70 1lf3A1 ASP 107 HB3 -0.06 0.00 0.22 -0.04 2.70 2.82 1lf3A1 THR 108 H -0.00 0.17 0.08 -0.55 8.28 7.98 1lf3A1 THR 108 HA -0.14 0.30 0.98 -0.75 4.39 4.79 1lf3A1 THR 108 HB -0.09 0.06 0.13 -0.04 4.32 4.38 1lf3A1 THR 108 HG23 -0.25 0.03 -0.18 -0.04 1.22 0.79 1lf3A1 ASN 109 H 0.00 0.14 -0.09 -0.55 8.53 8.05 1lf3A1 ASN 109 HA 0.05 0.09 0.53 -0.75 4.76 4.68 1lf3A1 ASN 109 HB2 0.01 0.02 0.08 -0.04 2.88 2.95 1lf3A1 ASN 109 HB3 0.02 0.10 0.12 -0.04 2.79 2.99 1lf3A1 ASN 109 HD21 0.02 0.03 0.06 -0.04 7.03 7.10 1lf3A1 ASN 109 HD22 0.01 0.04 0.05 -0.04 7.74 7.81 1lf3A1 GLY 110 H 0.02 0.11 -0.42 -0.55 8.43 7.60 1lf3A1 GLY 110 HA2 0.05 0.25 0.87 -0.51 4.01 4.66 1lf3A1 GLY 110 HA3 0.03 0.01 0.33 -0.51 4.01 3.88 1lf3A1 PHE 111 H 0.15 0.28 -0.32 -0.55 8.34 7.90 1lf3A1 PHE 111 HA 0.04 0.21 0.89 -0.75 4.62 5.01 1lf3A1 PHE 111 HB2 -0.10 0.21 -0.12 -0.04 3.15 3.09 1lf3A1 PHE 111 HB3 -0.12 0.00 0.09 -0.04 3.06 2.98 1lf3A1 PHE 111 HD2 -0.11 -0.04 -0.04 -0.04 7.28 7.05 1lf3A1 PHE 111 HE2 0.34 -0.01 -0.22 -0.04 7.38 7.46 1lf3A1 PHE 111 HZ 0.18 -0.02 -0.15 -0.04 7.32 7.29 1lf3A1 GLU 112 H 0.07 0.22 -0.09 -0.55 8.60 8.25 1lf3A1 GLU 112 HA -0.00 -0.03 0.73 -0.75 4.29 4.24 1lf3A1 GLU 112 HB2 0.04 0.13 0.05 -0.04 2.09 2.27 1lf3A1 GLU 112 HB3 0.02 0.05 0.06 -0.04 1.99 2.08 1lf3A1 GLU 112 HG2 0.11 0.08 -0.02 -0.04 2.34 2.47 1lf3A1 GLU 112 HG3 0.07 -0.01 0.04 -0.04 2.34 2.39 1lf3A1 PRO 113 HA -0.01 -0.01 0.32 -0.51 4.44 4.23 1lf3A1 PRO 113 HB2 -0.01 0.07 0.05 -0.04 2.28 2.35 1lf3A1 PRO 113 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 1lf3A1 PRO 113 HG2 -0.02 0.06 -0.07 -0.04 2.03 1.96 1lf3A1 PRO 113 HG3 -0.01 0.07 0.04 -0.04 2.03 2.08 1lf3A1 PRO 113 HD2 -0.02 0.16 0.37 -0.04 3.68 4.15 1lf3A1 PRO 113 HD3 -0.01 0.10 0.11 -0.04 3.65 3.81 1lf3A1 THR 114 H -0.11 0.18 -0.28 -0.55 8.28 7.53 1lf3A1 THR 114 HA -0.07 0.06 0.29 -0.75 4.39 3.91 1lf3A1 THR 114 HB -0.75 0.13 0.09 -0.04 4.32 3.75 1lf3A1 THR 114 HG23 -0.12 -0.02 -0.07 -0.04 1.22 0.97 1lf3A1 TYR 115 H -0.19 0.75 0.17 -0.55 8.29 8.47 1lf3A1 TYR 115 HA -0.29 0.05 0.31 -0.75 4.56 3.87 1lf3A1 TYR 115 HB2 0.12 0.16 0.07 -0.04 3.06 3.37 1lf3A1 TYR 115 HB3 -0.01 -0.24 0.06 -0.04 2.98 2.74 1lf3A1 TYR 115 HD2 -0.08 -0.11 -0.07 -0.04 7.15 6.85 1lf3A1 TYR 115 HE2 0.05 -0.00 -0.17 -0.04 6.85 6.69 1lf3A1 THR 116 H 0.02 -0.06 -0.09 -0.55 8.28 7.60 1lf3A1 THR 116 HA -0.24 0.11 0.35 -0.75 4.39 3.85 1lf3A1 THR 116 HB -0.04 -0.01 0.05 -0.04 4.32 4.28 1lf3A1 THR 116 HG23 -0.06 0.02 -0.08 -0.04 1.22 1.06 1lf3A1 ALA 117 H -0.06 0.49 -0.32 -0.55 8.40 7.97 1lf3A1 ALA 117 HA -0.01 -0.01 0.46 -0.75 4.34 4.03 1lf3A1 ALA 117 HB3 0.01 -0.05 0.04 -0.04 1.41 1.37 1lf3A1 SER 118 H -0.14 0.51 -0.18 -0.55 8.46 8.11 1lf3A1 SER 118 HA -0.05 0.05 0.77 -0.75 4.49 4.51 1lf3A1 SER 118 HB2 -0.31 0.06 0.06 -0.04 3.95 3.73 1lf3A1 SER 118 HB3 0.19 -0.21 0.08 -0.04 3.93 3.96 1lf3A1 THR 119 H -0.37 0.02 0.08 -0.55 8.28 7.46 1lf3A1 THR 119 HA -0.28 0.34 0.84 -0.75 4.39 4.53 1lf3A1 THR 119 HB -0.47 -0.05 0.05 -0.04 4.32 3.81 1lf3A1 THR 119 HG23 -0.38 -0.02 -0.03 -0.04 1.22 0.74 1lf3A1 PHE 120 H -0.40 0.07 -0.21 -0.55 8.34 7.24 1lf3A1 PHE 120 HA -0.50 0.13 0.73 -0.75 4.62 4.23 1lf3A1 PHE 120 HB2 -0.19 0.06 -0.07 -0.04 3.15 2.91 1lf3A1 PHE 120 HB3 -0.29 -0.06 -0.16 -0.04 3.06 2.51 1lf3A1 PHE 120 HD2 0.04 -0.03 -0.34 -0.04 7.28 6.92 1lf3A1 PHE 120 HE2 0.25 -0.01 -0.20 -0.04 7.38 7.38 1lf3A1 PHE 120 HZ 0.38 -0.04 -0.17 -0.04 7.32 7.45 1lf3A1 ASP 121 H -0.07 0.43 0.32 -0.55 8.40 8.54 1lf3A1 ASP 121 HA 0.08 0.17 0.82 -0.75 4.63 4.94 1lf3A1 ASP 121 HB2 -0.13 -0.00 0.30 -0.04 2.71 2.84 1lf3A1 ASP 121 HB3 0.20 0.08 0.16 -0.04 2.70 3.09 1lf3A1 GLY 122 H -0.35 0.36 0.32 -0.55 8.43 8.22 1lf3A1 GLY 122 HA2 -1.37 0.16 0.80 -0.51 4.01 3.09 1lf3A1 GLY 122 HA3 -0.75 0.24 0.44 -0.51 4.01 3.43 1lf3A1 ILE 123 H -1.58 0.27 0.25 -0.55 8.25 6.65 1lf3A1 ILE 123 HA -0.24 0.07 1.08 -0.75 4.18 4.33 1lf3A1 ILE 123 HB -0.25 -0.03 0.04 -0.04 1.89 1.61 1lf3A1 ILE 123 HG12 -0.51 0.05 -0.10 -0.04 1.49 0.89 1lf3A1 ILE 123 HG13 -0.34 -0.06 -0.47 -0.04 1.21 0.30 1lf3A1 ILE 123 HG23 -0.11 0.03 -0.11 -0.04 0.93 0.70 1lf3A1 ILE 123 HD13 -0.13 -0.00 -0.13 -0.04 0.88 0.58 1lf3A1 LEU 124 H -0.13 0.58 0.20 -0.55 8.37 8.47 1lf3A1 LEU 124 HA -0.23 0.08 0.82 -0.75 4.35 4.26 1lf3A1 LEU 124 HB2 -0.53 -0.03 -0.13 -0.04 1.64 0.91 1lf3A1 LEU 124 HB3 -0.21 -0.04 0.04 -0.04 1.64 1.39 1lf3A1 LEU 124 HG -0.47 -0.01 -0.09 -0.04 1.64 1.03 1lf3A1 LEU 124 HD13 -0.45 -0.00 -0.17 -0.04 0.93 0.27 1lf3A1 LEU 124 HD23 -0.24 0.03 -0.23 -0.04 0.89 0.40 1lf3A1 GLY 125 H -0.02 0.34 -0.14 -0.55 8.43 8.06 1lf3A1 GLY 125 HA2 0.04 0.12 0.48 -0.51 4.01 4.15 1lf3A1 GLY 125 HA3 0.07 -0.21 -0.03 -0.51 4.01 3.33 1lf3A1 LEU 126 H 0.09 0.42 0.35 -0.55 8.37 8.69 1lf3A1 LEU 126 HA -0.03 0.08 0.73 -0.75 4.35 4.37 1lf3A1 LEU 126 HB2 -0.04 -0.08 -0.19 -0.04 1.64 1.29 1lf3A1 LEU 126 HB3 -0.32 -0.02 0.10 -0.04 1.64 1.36 1lf3A1 LEU 126 HG -0.19 0.09 -0.67 -0.04 1.64 0.83 1lf3A1 LEU 126 HD13 -0.32 -0.02 -0.25 -0.04 0.93 0.29 1lf3A1 LEU 126 HD23 -0.62 -0.00 -0.06 -0.04 0.89 0.17 1lf3A1 GLY 127 H 0.15 0.40 0.23 -0.55 8.43 8.66 1lf3A1 GLY 127 HA2 0.35 0.12 0.46 -0.51 4.01 4.43 1lf3A1 GLY 127 HA3 0.15 0.01 0.21 -0.51 4.01 3.86 1lf3A1 TRP 128 H 0.20 0.33 0.14 -0.55 7.97 8.09 1lf3A1 TRP 128 HA 0.04 0.18 0.86 -0.75 4.62 4.94 1lf3A1 TRP 128 HB2 -0.19 0.14 -0.03 -0.04 3.23 3.11 1lf3A1 TRP 128 HB3 -0.11 -0.07 0.04 -0.04 3.23 3.05 1lf3A1 TRP 128 HD1 -0.76 0.07 -0.27 -0.04 7.22 6.23 1lf3A1 TRP 128 HE1 -2.92 -0.03 -0.25 -0.04 10.20 6.96 1lf3A1 TRP 128 HE3 -0.10 -0.05 0.04 -0.04 7.59 7.45 1lf3A1 TRP 128 HZ2 -0.61 0.00 -0.11 -0.04 7.44 6.68 1lf3A1 TRP 128 HZ3 -0.40 0.06 0.07 -0.04 7.13 6.82 1lf3A1 TRP 128 HH2 -0.61 0.07 0.13 -0.04 7.19 6.74 1lf3A1 LYS 129 H 0.15 0.18 0.15 -0.55 8.42 8.34 1lf3A1 LYS 129 HA 0.05 0.18 0.31 -0.75 4.32 4.11 1lf3A1 LYS 129 HB2 0.04 -0.01 0.10 -0.04 1.87 1.95 1lf3A1 LYS 129 HB3 0.07 0.01 -0.02 -0.04 1.79 1.82 1lf3A1 LYS 129 HG2 0.02 -0.07 -0.26 -0.04 1.46 1.10 1lf3A1 LYS 129 HG3 0.01 0.28 -0.66 -0.04 1.46 1.05 1lf3A1 LYS 129 HD2 -0.00 0.14 -0.37 -0.04 1.69 1.41 1lf3A1 LYS 129 HD3 0.01 -0.05 -0.16 -0.04 1.68 1.43 1lf3A1 LYS 129 HE2 0.04 -0.03 -0.08 -0.04 2.99 2.88 1lf3A1 LYS 129 HE3 0.01 -0.01 -0.14 -0.04 2.99 2.82 1lf3A1 ASP 130 H 0.11 0.15 -0.16 -0.55 8.40 7.95 1lf3A1 ASP 130 HA 0.02 0.08 0.44 -0.75 4.63 4.42 1lf3A1 ASP 130 HB2 0.00 0.13 0.12 -0.04 2.71 2.92 1lf3A1 ASP 130 HB3 -0.01 -0.01 0.06 -0.04 2.70 2.70 1lf3A1 LEU 131 H 0.03 0.40 -0.46 -0.55 8.37 7.80 1lf3A1 LEU 131 HA -0.07 0.13 0.65 -0.75 4.35 4.30 1lf3A1 LEU 131 HB2 -0.13 -0.03 0.00 -0.04 1.64 1.44 1lf3A1 LEU 131 HB3 -0.04 0.08 -0.03 -0.04 1.64 1.61 1lf3A1 LEU 131 HG -0.17 -0.07 0.00 -0.04 1.64 1.36 1lf3A1 LEU 131 HD13 -0.50 -0.01 -0.05 -0.04 0.93 0.32 1lf3A1 LEU 131 HD23 -0.43 0.03 -0.24 -0.04 0.89 0.20 1lf3A1 SER 132 H 0.02 0.32 -0.21 -0.55 8.46 8.04 1lf3A1 SER 132 HA 0.02 0.01 0.60 -0.75 4.49 4.37 1lf3A1 SER 132 HB2 0.06 -0.02 0.02 -0.04 3.95 3.96 1lf3A1 SER 132 HB3 0.05 0.06 0.00 -0.04 3.93 4.00 1lf3A1 ILE 133 H 0.06 0.13 0.08 -0.55 8.25 7.97 1lf3A1 ILE 133 HA 0.04 0.18 0.77 -0.75 4.18 4.42 1lf3A1 ILE 133 HB 0.10 -0.04 0.06 -0.04 1.89 1.96 1lf3A1 ILE 133 HG12 -0.01 -0.04 -0.05 -0.04 1.49 1.34 1lf3A1 ILE 133 HG13 -0.04 0.00 -0.03 -0.04 1.21 1.10 1lf3A1 ILE 133 HG23 0.14 0.00 -0.14 -0.04 0.93 0.89 1lf3A1 ILE 133 HD13 -0.01 0.04 -0.02 -0.04 0.88 0.85 1lf3A1 GLY 134 H 0.04 0.20 0.12 -0.55 8.43 8.25 1lf3A1 GLY 134 HA2 -0.06 0.03 0.28 -0.51 4.01 3.76 1lf3A1 GLY 134 HA3 -0.13 0.11 0.47 -0.51 4.01 3.95 1lf3A1 SER 135 H -0.00 0.09 -0.48 -0.55 8.46 7.52 1lf3A1 SER 135 HA -0.00 0.15 0.16 -0.75 4.49 4.04 1lf3A1 SER 135 HB2 -0.02 -0.06 -0.15 -0.04 3.95 3.67 1lf3A1 SER 135 HB3 -0.04 0.09 0.08 -0.04 3.93 4.03 1lf3A1 VAL 136 H -0.00 0.09 -0.20 -0.55 8.24 7.58 1lf3A1 VAL 136 HA -0.06 0.18 0.84 -0.75 4.13 4.33 1lf3A1 VAL 136 HB -0.13 0.03 0.02 -0.04 2.12 2.01 1lf3A1 VAL 136 HG13 -0.11 0.02 -0.14 -0.04 0.97 0.69 1lf3A1 VAL 136 HG23 0.05 -0.05 -0.01 -0.04 0.95 0.90 1lf3A1 ASP 137 H 0.00 0.14 0.12 -0.55 8.40 8.12 1lf3A1 ASP 137 HA -0.01 0.03 0.45 -0.75 4.63 4.35 1lf3A1 ASP 137 HB2 0.03 -0.01 0.10 -0.04 2.71 2.78 1lf3A1 ASP 137 HB3 -0.04 0.01 0.01 -0.04 2.70 2.64 1lf3A1 PRO 138 HA -0.02 0.12 0.32 -0.51 4.44 4.35 1lf3A1 PRO 138 HB2 -0.56 -0.21 0.00 -0.04 2.28 1.47 1lf3A1 PRO 138 HB3 -0.15 0.17 0.02 -0.04 2.02 2.01 1lf3A1 PRO 138 HG2 -0.50 0.03 0.12 -0.04 2.03 1.65 1lf3A1 PRO 138 HG3 -0.10 0.14 -0.01 -0.04 2.03 2.01 1lf3A1 PRO 138 HD2 -0.24 0.05 0.20 -0.04 3.68 3.65 1lf3A1 PRO 138 HD3 -0.08 0.12 0.26 -0.04 3.65 3.91 1lf3A1 ILE 139 H -0.21 0.23 0.10 -0.55 8.25 7.82 1lf3A1 ILE 139 HA -0.44 0.13 0.34 -0.75 4.18 3.45 1lf3A1 ILE 139 HB -0.31 0.02 -0.07 -0.04 1.89 1.49 1lf3A1 ILE 139 HG12 -0.64 0.04 0.05 -0.04 1.49 0.90 1lf3A1 ILE 139 HG13 -0.27 -0.02 0.10 -0.04 1.21 0.98 1lf3A1 ILE 139 HG23 -0.69 0.02 -0.05 -0.04 0.93 0.16 1lf3A1 ILE 139 HD13 -0.35 0.01 -0.08 -0.04 0.88 0.42 1lf3A1 VAL 140 H -0.15 0.15 -0.15 -0.55 8.24 7.53 1lf3A1 VAL 140 HA -0.05 0.10 0.23 -0.75 4.13 3.65 1lf3A1 VAL 140 HB 0.26 0.02 -0.13 -0.04 2.12 2.23 1lf3A1 VAL 140 HG13 0.25 -0.01 -0.16 -0.04 0.97 1.01 1lf3A1 VAL 140 HG23 -0.04 0.01 -0.04 -0.04 0.95 0.84 1lf3A1 VAL 141 H -0.28 0.12 -0.67 -0.55 8.24 6.85 1lf3A1 VAL 141 HA -0.16 0.06 0.49 -0.75 4.13 3.77 1lf3A1 VAL 141 HB -0.28 0.16 0.06 -0.04 2.12 2.02 1lf3A1 VAL 141 HG13 -0.12 0.00 -0.13 -0.04 0.97 0.68 1lf3A1 VAL 141 HG23 -0.85 -0.02 -0.01 -0.04 0.95 0.02 1lf3A1 GLU 142 H -0.11 0.61 -0.05 -0.55 8.60 8.50 1lf3A1 GLU 142 HA -0.02 0.00 0.37 -0.75 4.29 3.89 1lf3A1 GLU 142 HB2 -0.09 0.09 0.20 -0.04 2.09 2.25 1lf3A1 GLU 142 HB3 -0.01 0.01 -0.07 -0.04 1.99 1.88 1lf3A1 GLU 142 HG2 0.05 0.00 -0.06 -0.04 2.34 2.29 1lf3A1 GLU 142 HG3 0.20 0.01 -0.03 -0.04 2.34 2.47 1lf3A1 LEU 143 H -0.08 0.70 -0.11 -0.55 8.37 8.33 1lf3A1 LEU 143 HA -0.03 0.03 0.19 -0.75 4.35 3.79 1lf3A1 LEU 143 HB2 -0.04 0.08 -0.10 -0.04 1.64 1.54 1lf3A1 LEU 143 HB3 -0.02 -0.03 -0.12 -0.04 1.64 1.42 1lf3A1 LEU 143 HG -0.11 0.09 -0.10 -0.04 1.64 1.48 1lf3A1 LEU 143 HD13 -0.07 -0.02 -0.14 -0.04 0.93 0.65 1lf3A1 LEU 143 HD23 -0.04 0.00 -0.16 -0.04 0.89 0.64 1lf3A1 LYS 144 H -0.03 0.29 -1.00 -0.55 8.42 7.13 1lf3A1 LYS 144 HA 0.01 0.14 0.52 -0.75 4.32 4.24 1lf3A1 LYS 144 HB2 0.01 -0.07 -0.04 -0.04 1.87 1.74 1lf3A1 LYS 144 HB3 -0.02 0.35 0.24 -0.04 1.79 2.33 1lf3A1 LYS 144 HG2 0.02 -0.08 -0.02 -0.04 1.46 1.34 1lf3A1 LYS 144 HG3 0.01 0.03 -0.29 -0.04 1.46 1.18 1lf3A1 LYS 144 HD2 0.03 0.14 -0.10 -0.04 1.69 1.72 1lf3A1 LYS 144 HD3 0.04 -0.20 -0.28 -0.04 1.68 1.20 1lf3A1 LYS 144 HE2 0.05 -0.11 0.02 -0.04 2.99 2.90 1lf3A1 LYS 144 HE3 0.03 0.00 -0.01 -0.04 2.99 2.98 1lf3A1 ASN 145 H -0.01 0.43 0.18 -0.55 8.53 8.58 1lf3A1 ASN 145 HA 0.00 0.01 0.42 -0.75 4.76 4.44 1lf3A1 ASN 145 HB2 -0.00 0.05 0.16 -0.04 2.88 3.05 1lf3A1 ASN 145 HB3 0.00 -0.04 0.08 -0.04 2.79 2.79 1lf3A1 ASN 145 HD21 -0.02 -0.08 -0.08 -0.04 7.03 6.80 1lf3A1 ASN 145 HD22 -0.02 -0.04 -0.03 -0.04 7.74 7.61 1lf3A1 GLN 146 HE21 0.01 -0.00 0.02 -0.04 6.97 6.96 1lf3A1 GLN 146 HE22 0.01 -0.04 -0.00 -0.04 7.69 7.62 1lf3A1 GLN 146 H -0.00 0.61 -0.26 -0.55 8.47 8.27 1lf3A1 GLN 146 HA 0.00 0.05 0.45 -0.75 4.36 4.11 1lf3A1 GLN 146 HB2 -0.00 -0.02 -0.11 -0.04 2.15 1.98 1lf3A1 GLN 146 HB3 0.01 -0.01 0.08 -0.04 2.02 2.05 1lf3A1 GLN 146 HG2 0.00 0.09 -0.09 -0.04 2.40 2.36 1lf3A1 GLN 146 HG3 0.01 -0.07 -0.16 -0.04 2.39 2.13 1lf3A1 ASN 147 H 0.00 0.48 -0.87 -0.55 8.53 7.60 1lf3A1 ASN 147 HA 0.01 0.16 0.39 -0.75 4.76 4.56 1lf3A1 ASN 147 HB2 0.01 0.03 -0.32 -0.04 2.88 2.55 1lf3A1 ASN 147 HB3 0.01 -0.07 0.24 -0.04 2.79 2.92 1lf3A1 ASN 147 HD21 0.01 -0.09 0.03 -0.04 7.03 6.94 1lf3A1 ASN 147 HD22 0.01 0.02 -0.06 -0.04 7.74 7.66 1lf3A1 LYS 148 H 0.00 0.70 0.09 -0.55 8.42 8.66 1lf3A1 LYS 148 HA 0.01 0.16 0.85 -0.75 4.32 4.58 1lf3A1 LYS 148 HB2 -0.01 -0.01 0.05 -0.04 1.87 1.86 1lf3A1 LYS 148 HB3 -0.00 -0.09 0.09 -0.04 1.79 1.75 1lf3A1 LYS 148 HG2 0.00 -0.02 0.01 -0.04 1.46 1.42 1lf3A1 LYS 148 HG3 0.00 0.21 -0.29 -0.04 1.46 1.34 1lf3A1 LYS 148 HD2 -0.01 -0.10 -0.07 -0.04 1.69 1.47 1lf3A1 LYS 148 HD3 -0.01 -0.09 -0.02 -0.04 1.68 1.53 1lf3A1 LYS 148 HE2 0.01 0.05 0.01 -0.04 2.99 3.02 1lf3A1 LYS 148 HE3 0.01 -0.06 0.08 -0.04 2.99 2.98 1lf3A1 ILE 149 H 0.01 0.36 0.15 -0.55 8.25 8.22 1lf3A1 ILE 149 HA 0.02 0.17 0.66 -0.75 4.18 4.28 1lf3A1 ILE 149 HB 0.03 -0.09 0.11 -0.04 1.89 1.90 1lf3A1 ILE 149 HG12 0.01 0.01 -0.52 -0.04 1.49 0.94 1lf3A1 ILE 149 HG13 0.02 -0.03 -0.47 -0.04 1.21 0.70 1lf3A1 ILE 149 HG23 0.01 0.00 -0.21 -0.04 0.93 0.69 1lf3A1 ILE 149 HD13 0.03 0.11 -0.07 -0.04 0.88 0.92 1lf3A1 GLU 150 H 0.03 0.13 0.17 -0.55 8.60 8.37 1lf3A1 GLU 150 HA 0.02 0.23 0.83 -0.75 4.29 4.62 1lf3A1 GLU 150 HB2 0.02 0.03 0.03 -0.04 2.09 2.14 1lf3A1 GLU 150 HB3 0.03 -0.00 0.08 -0.04 1.99 2.05 1lf3A1 GLU 150 HG2 0.03 -0.04 -0.04 -0.04 2.34 2.25 1lf3A1 GLU 150 HG3 0.02 0.04 0.09 -0.04 2.34 2.45 1lf3A1 ASN 151 H 0.04 0.15 0.16 -0.55 8.53 8.34 1lf3A1 ASN 151 HA 0.06 0.19 1.05 -0.75 4.76 5.31 1lf3A1 ASN 151 HB2 0.06 0.40 0.21 -0.04 2.88 3.51 1lf3A1 ASN 151 HB3 0.07 -0.10 -0.10 -0.04 2.79 2.62 1lf3A1 ASN 151 HD21 0.04 0.02 -0.05 -0.04 7.03 6.99 1lf3A1 ASN 151 HD22 0.06 -0.06 -0.00 -0.04 7.74 7.69 1lf3A1 ALA 152 H 0.10 0.17 0.06 -0.55 8.40 8.19 1lf3A1 ALA 152 HA 0.12 0.27 0.48 -0.75 4.34 4.45 1lf3A1 ALA 152 HB3 0.12 -0.02 0.12 -0.04 1.41 1.59 1lf3A1 LEU 153 H 0.12 0.73 0.05 -0.55 8.37 8.73 1lf3A1 LEU 153 HA -0.00 0.15 0.72 -0.75 4.35 4.45 1lf3A1 LEU 153 HB2 -0.11 0.26 0.11 -0.04 1.64 1.86 1lf3A1 LEU 153 HB3 0.04 -0.16 -0.27 -0.04 1.64 1.22 1lf3A1 LEU 153 HG 0.05 0.04 -0.30 -0.04 1.64 1.39 1lf3A1 LEU 153 HD13 0.02 -0.05 -0.66 -0.04 0.93 0.20 1lf3A1 LEU 153 HD23 0.06 -0.02 -0.19 -0.04 0.89 0.69 1lf3A1 PHE 154 H -0.60 0.51 0.37 -0.55 8.34 8.07 1lf3A1 PHE 154 HA -0.05 0.29 1.00 -0.75 4.62 5.10 1lf3A1 PHE 154 HB2 -0.23 0.09 0.09 -0.04 3.15 3.06 1lf3A1 PHE 154 HB3 -0.10 -0.08 0.00 -0.04 3.06 2.84 1lf3A1 PHE 154 HD2 -0.27 -0.00 -0.25 -0.04 7.28 6.72 1lf3A1 PHE 154 HE2 -0.59 0.01 -0.07 -0.04 7.38 6.69 1lf3A1 PHE 154 HZ -0.78 0.11 0.02 -0.04 7.32 6.63 1lf3A1 THR 155 H 0.05 0.47 0.44 -0.55 8.28 8.69 1lf3A1 THR 155 HA -0.18 0.23 1.23 -0.75 4.39 4.92 1lf3A1 THR 155 HB -0.36 0.14 0.09 -0.04 4.32 4.15 1lf3A1 THR 155 HG23 0.02 -0.05 -0.21 -0.04 1.22 0.94 1lf3A1 PHE 156 H -0.14 0.65 0.40 -0.55 8.34 8.70 1lf3A1 PHE 156 HA 0.03 0.21 1.07 -0.75 4.62 5.18 1lf3A1 PHE 156 HB2 0.12 0.00 0.15 -0.04 3.15 3.38 1lf3A1 PHE 156 HB3 -0.02 0.04 0.00 -0.04 3.06 3.05 1lf3A1 PHE 156 HD2 0.02 0.03 -0.07 -0.04 7.28 7.23 1lf3A1 PHE 156 HE2 0.02 -0.04 -0.10 -0.04 7.38 7.22 1lf3A1 PHE 156 HZ -0.01 -0.04 -0.10 -0.04 7.32 7.13 1lf3A1 TYR 157 H 0.19 0.58 0.16 -0.55 8.29 8.66 1lf3A1 TYR 157 HA 0.17 0.20 0.82 -0.75 4.56 5.00 1lf3A1 TYR 157 HB2 -0.48 -0.07 0.02 -0.04 3.06 2.48 1lf3A1 TYR 157 HB3 -0.37 -0.15 0.26 -0.04 2.98 2.68 1lf3A1 TYR 157 HD2 0.09 -0.12 0.08 -0.04 7.15 7.16 1lf3A1 TYR 157 HE2 -0.08 0.07 0.02 -0.04 6.85 6.82 1lf3A1 LEU 158 H -0.13 0.26 -0.08 -0.55 8.37 7.87 1lf3A1 LEU 158 HA -0.47 -0.09 0.34 -0.75 4.35 3.37 1lf3A1 LEU 158 HB2 -0.21 0.16 -0.01 -0.04 1.64 1.55 1lf3A1 LEU 158 HB3 -0.32 0.05 -0.02 -0.04 1.64 1.31 1lf3A1 LEU 158 HG -0.16 0.16 -0.06 -0.04 1.64 1.54 1lf3A1 LEU 158 HD13 -0.10 -0.02 -0.23 -0.04 0.93 0.54 1lf3A1 LEU 158 HD23 -0.84 -0.06 -0.06 -0.04 0.89 -0.12 1lf3A1 PRO 159 HA -0.02 0.29 0.05 -0.51 4.44 4.25 1lf3A1 PRO 159 HB2 -0.07 0.00 0.08 -0.04 2.28 2.25 1lf3A1 PRO 159 HB3 -0.08 -0.06 0.07 -0.04 2.02 1.92 1lf3A1 PRO 159 HG2 -0.10 -0.01 -0.14 -0.04 2.03 1.74 1lf3A1 PRO 159 HG3 -0.06 -0.03 -0.33 -0.04 2.03 1.57 1lf3A1 PRO 159 HD2 -0.72 0.06 0.10 -0.04 3.68 3.07 1lf3A1 PRO 159 HD3 -0.41 0.05 0.04 -0.04 3.65 3.30 1lf3A1 VAL 160 H -0.39 0.58 0.20 -0.55 8.24 8.08 1lf3A1 VAL 160 HA -0.15 0.19 0.87 -0.75 4.13 4.28 1lf3A1 VAL 160 HB -0.74 -0.11 0.17 -0.04 2.12 1.41 1lf3A1 VAL 160 HG13 -0.13 0.01 -0.12 -0.04 0.97 0.69 1lf3A1 VAL 160 HG23 -0.21 0.06 -0.16 -0.04 0.95 0.60 1lf3A1 HIS 161 H 0.04 0.18 0.04 -0.55 8.41 8.12 1lf3A1 HIS 161 HA -0.06 -0.09 0.39 -0.75 4.63 4.12 1lf3A1 HIS 161 HB2 -0.04 -0.10 0.12 -0.04 3.26 3.20 1lf3A1 HIS 161 HB3 -0.05 0.11 0.14 -0.04 3.20 3.35 1lf3A1 HIS 161 HD2 -0.05 0.05 -0.19 -0.04 6.97 6.74 1lf3A1 HIS 161 HE1 -0.07 0.00 -0.00 -0.04 7.75 7.64 1lf3A1 ASP 162 H -0.35 0.05 0.22 -0.55 8.40 7.77 1lf3A1 ASP 162 HA -0.23 -0.04 0.36 -0.75 4.63 3.97 1lf3A1 ASP 162 HB2 -0.08 0.32 -0.15 -0.04 2.71 2.76 1lf3A1 ASP 162 HB3 -0.09 0.01 0.20 -0.04 2.70 2.79 1lf3A1 LYS 163 H -0.16 0.61 -0.01 -0.55 8.42 8.30 1lf3A1 LYS 163 HA -0.04 0.16 1.05 -0.75 4.32 4.74 1lf3A1 LYS 163 HB2 -0.31 -0.00 0.16 -0.04 1.87 1.68 1lf3A1 LYS 163 HB3 -0.03 0.01 0.06 -0.04 1.79 1.80 1lf3A1 LYS 163 HG2 -0.09 0.07 -0.35 -0.04 1.46 1.05 1lf3A1 LYS 163 HG3 -0.09 0.00 -0.06 -0.04 1.46 1.27 1lf3A1 LYS 163 HD2 -0.03 0.03 0.03 -0.04 1.69 1.68 1lf3A1 LYS 163 HD3 -0.04 -0.02 -0.10 -0.04 1.68 1.47 1lf3A1 LYS 163 HE2 -0.02 -0.06 0.00 -0.04 2.99 2.87 1lf3A1 LYS 163 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.90 1lf3A1 HIS 164 H -0.30 0.34 0.36 -0.55 8.41 8.26 1lf3A1 HIS 164 HA 0.01 0.06 0.58 -0.75 4.63 4.53 1lf3A1 HIS 164 HB2 0.11 -0.04 0.18 -0.04 3.26 3.47 1lf3A1 HIS 164 HB3 0.06 0.13 -0.04 -0.04 3.20 3.31 1lf3A1 HIS 164 HD2 0.06 0.09 0.03 -0.04 6.97 7.10 1lf3A1 HIS 164 HE1 -0.44 0.27 -0.09 -0.04 7.75 7.45 1lf3A1 THR 165 H 0.17 0.12 0.19 -0.55 8.28 8.21 1lf3A1 THR 165 HA 0.00 0.03 0.85 -0.75 4.39 4.52 1lf3A1 THR 165 HB -0.13 0.17 0.32 -0.04 4.32 4.64 1lf3A1 THR 165 HG23 -0.00 -0.04 0.06 -0.04 1.22 1.20 1lf3A1 GLY 166 H -0.15 0.54 0.38 -0.55 8.43 8.66 1lf3A1 GLY 166 HA2 0.15 0.34 0.90 -0.51 4.01 4.89 1lf3A1 GLY 166 HA3 -0.12 0.04 0.30 -0.51 4.01 3.72 1lf3A1 PHE 167 H 0.12 0.51 0.27 -0.55 8.34 8.69 1lf3A1 PHE 167 HA 0.05 0.26 0.83 -0.75 4.62 5.01 1lf3A1 PHE 167 HB2 -0.29 -0.01 -0.06 -0.04 3.15 2.74 1lf3A1 PHE 167 HB3 0.02 -0.02 -0.17 -0.04 3.06 2.85 1lf3A1 PHE 167 HD2 0.09 -0.02 -0.31 -0.04 7.28 7.00 1lf3A1 PHE 167 HE2 0.09 -0.00 -0.11 -0.04 7.38 7.32 1lf3A1 PHE 167 HZ 0.08 -0.01 -0.05 -0.04 7.32 7.29 1lf3A1 LEU 168 H 0.17 0.52 0.31 -0.55 8.37 8.82 1lf3A1 LEU 168 HA -0.17 0.32 0.99 -0.75 4.35 4.74 1lf3A1 LEU 168 HB2 -0.08 -0.00 0.05 -0.04 1.64 1.56 1lf3A1 LEU 168 HB3 0.01 -0.01 0.18 -0.04 1.64 1.78 1lf3A1 LEU 168 HG -0.14 -0.04 -0.35 -0.04 1.64 1.08 1lf3A1 LEU 168 HD13 -0.74 0.06 -0.00 -0.04 0.93 0.21 1lf3A1 LEU 168 HD23 -0.19 -0.02 -0.10 -0.04 0.89 0.54 1lf3A1 THR 169 H 0.00 0.48 0.29 -0.55 8.28 8.50 1lf3A1 THR 169 HA 0.10 0.41 1.26 -0.75 4.39 5.40 1lf3A1 THR 169 HB 0.22 -0.08 0.12 -0.04 4.32 4.54 1lf3A1 THR 169 HG23 0.13 -0.03 -0.21 -0.04 1.22 1.08 1lf3A1 ILE 170 H 0.05 0.89 0.39 -0.55 8.25 9.03 1lf3A1 ILE 170 HA 0.10 0.14 1.10 -0.75 4.18 4.77 1lf3A1 ILE 170 HB 0.01 -0.00 0.21 -0.04 1.89 2.06 1lf3A1 ILE 170 HG12 -0.07 -0.03 -0.05 -0.04 1.49 1.30 1lf3A1 ILE 170 HG13 -0.04 -0.05 -0.26 -0.04 1.21 0.82 1lf3A1 ILE 170 HG23 0.02 -0.00 -0.08 -0.04 0.93 0.82 1lf3A1 ILE 170 HD13 -0.09 0.00 -0.09 -0.04 0.88 0.67 1lf3A1 GLY 171 H 0.09 0.79 0.37 -0.55 8.43 9.14 1lf3A1 GLY 171 HA2 0.05 0.03 0.52 -0.51 4.01 4.10 1lf3A1 GLY 171 HA3 0.04 0.19 1.03 -0.51 4.01 4.77 1lf3A1 GLY 172 H 0.07 0.25 -0.23 -0.55 8.43 7.97 1lf3A1 GLY 172 HA2 0.06 0.09 0.50 -0.51 4.01 4.15 1lf3A1 GLY 172 HA3 0.05 0.06 0.20 -0.51 4.01 3.82 1lf3A1 ILE 173 H 0.09 0.16 0.05 -0.55 8.25 8.00 1lf3A1 ILE 173 HA 0.23 0.13 0.58 -0.75 4.18 4.36 1lf3A1 ILE 173 HB 0.14 0.00 -0.01 -0.04 1.89 1.98 1lf3A1 ILE 173 HG12 0.11 0.03 -0.21 -0.04 1.49 1.38 1lf3A1 ILE 173 HG13 0.11 -0.07 -0.11 -0.04 1.21 1.09 1lf3A1 ILE 173 HG23 0.30 0.01 -0.25 -0.04 0.93 0.95 1lf3A1 ILE 173 HD13 0.17 0.02 -0.13 -0.04 0.88 0.89 1lf3A1 GLU 174 H 0.25 0.22 0.06 -0.55 8.60 8.58 1lf3A1 GLU 174 HA -0.08 0.19 0.96 -0.75 4.29 4.60 1lf3A1 GLU 174 HB2 -0.33 0.04 0.03 -0.04 2.09 1.79 1lf3A1 GLU 174 HB3 -0.55 -0.07 -0.04 -0.04 1.99 1.29 1lf3A1 GLU 174 HG2 -0.13 0.03 -0.09 -0.04 2.34 2.11 1lf3A1 GLU 174 HG3 -0.02 0.02 -0.49 -0.04 2.34 1.80 1lf3A1 GLU 175 H -0.15 0.22 0.07 -0.55 8.60 8.20 1lf3A1 GLU 175 HA -0.43 0.08 0.26 -0.75 4.29 3.45 1lf3A1 GLU 175 HB2 -0.23 0.01 0.01 -0.04 2.09 1.84 1lf3A1 GLU 175 HB3 -0.32 0.07 0.06 -0.04 1.99 1.75 1lf3A1 GLU 175 HG2 -0.10 0.04 -0.00 -0.04 2.34 2.23 1lf3A1 GLU 175 HG3 -0.05 -0.03 -0.03 -0.04 2.34 2.19 1lf3A1 ARG 176 H -0.47 -0.00 -0.44 -0.55 8.46 7.00 1lf3A1 ARG 176 HA -0.33 0.15 0.46 -0.75 4.34 3.87 1lf3A1 ARG 176 HB2 -0.36 0.05 0.05 -0.04 1.90 1.60 1lf3A1 ARG 176 HB3 -0.36 -0.03 0.03 -0.04 1.80 1.41 1lf3A1 ARG 176 HG2 -0.80 -0.13 -0.09 -0.04 1.67 0.61 1lf3A1 ARG 176 HG3 -1.42 0.08 -0.24 -0.04 1.67 0.05 1lf3A1 ARG 176 HD2 -0.42 0.06 -0.10 -0.04 3.22 2.73 1lf3A1 ARG 176 HD3 -0.38 -0.01 -0.05 -0.04 3.22 2.74 1lf3A1 PHE 177 H -0.57 0.28 -0.21 -0.55 8.34 7.29 1lf3A1 PHE 177 HA -0.60 0.13 0.63 -0.75 4.62 4.02 1lf3A1 PHE 177 HB2 -1.10 0.03 0.03 -0.04 3.15 2.07 1lf3A1 PHE 177 HB3 -0.38 0.04 0.04 -0.04 3.06 2.73 1lf3A1 PHE 177 HD2 -0.36 0.03 -0.09 -0.04 7.28 6.82 1lf3A1 PHE 177 HE2 -0.14 0.01 -0.13 -0.04 7.38 7.07 1lf3A1 PHE 177 HZ -0.29 -0.01 -0.14 -0.04 7.32 6.84 1lf3A1 TYR 178 H -0.33 0.15 -0.19 -0.55 8.29 7.36 1lf3A1 TYR 178 HA -0.04 0.19 1.07 -0.75 4.56 5.03 1lf3A1 TYR 178 HB2 0.03 0.02 -0.11 -0.04 3.06 2.97 1lf3A1 TYR 178 HB3 -0.27 -0.07 -0.30 -0.04 2.98 2.30 1lf3A1 TYR 178 HD2 -0.32 0.03 -0.21 -0.04 7.15 6.61 1lf3A1 TYR 178 HE2 0.00 -0.03 -0.28 -0.04 6.85 6.49 1lf3A1 GLU 179 H 0.26 0.49 0.24 -0.55 8.60 9.05 1lf3A1 GLU 179 HA -0.12 0.03 0.50 -0.75 4.29 3.95 1lf3A1 GLU 179 HB2 -0.02 -0.10 0.12 -0.04 2.09 2.05 1lf3A1 GLU 179 HB3 -0.06 0.10 -0.10 -0.04 1.99 1.90 1lf3A1 GLU 179 HG2 0.06 0.25 -0.08 -0.04 2.34 2.52 1lf3A1 GLU 179 HG3 0.04 -0.05 -0.20 -0.04 2.34 2.09 1lf3A1 GLY 180 H 0.03 0.05 0.14 -0.55 8.43 8.11 1lf3A1 GLY 180 HA2 0.07 -0.01 0.38 -0.51 4.01 3.94 1lf3A1 GLY 180 HA3 0.10 0.15 0.71 -0.51 4.01 4.47 1lf3A1 PRO 181 HA 0.14 0.04 0.44 -0.51 4.44 4.55 1lf3A1 PRO 181 HB2 0.09 0.05 -0.02 -0.04 2.28 2.36 1lf3A1 PRO 181 HB3 0.08 0.01 0.11 -0.04 2.02 2.17 1lf3A1 PRO 181 HG2 0.10 0.04 0.08 -0.04 2.03 2.21 1lf3A1 PRO 181 HG3 0.06 0.05 0.10 -0.04 2.03 2.19 1lf3A1 PRO 181 HD2 0.09 0.11 0.28 -0.04 3.68 4.12 1lf3A1 PRO 181 HD3 0.07 0.09 0.21 -0.04 3.65 3.97 1lf3A1 LEU 182 H 0.14 0.12 0.08 -0.55 8.37 8.17 1lf3A1 LEU 182 HA -0.01 0.27 0.84 -0.75 4.35 4.70 1lf3A1 LEU 182 HB2 0.03 -0.00 -0.05 -0.04 1.64 1.57 1lf3A1 LEU 182 HB3 0.10 -0.06 0.12 -0.04 1.64 1.76 1lf3A1 LEU 182 HG -0.61 0.01 -0.25 -0.04 1.64 0.76 1lf3A1 LEU 182 HD13 -0.04 -0.03 -0.17 -0.04 0.93 0.65 1lf3A1 LEU 182 HD23 -0.28 0.05 -0.37 -0.04 0.89 0.25 1lf3A1 THR 183 H 0.08 0.53 0.18 -0.55 8.28 8.53 1lf3A1 THR 183 HA 0.14 0.08 0.59 -0.75 4.39 4.45 1lf3A1 THR 183 HB 0.24 0.00 0.01 -0.04 4.32 4.53 1lf3A1 THR 183 HG23 0.14 -0.01 -0.19 -0.04 1.22 1.12 1lf3A1 TYR 184 H 0.20 0.20 0.18 -0.55 8.29 8.32 1lf3A1 TYR 184 HA -0.04 0.21 0.98 -0.75 4.56 4.96 1lf3A1 TYR 184 HB2 0.01 -0.03 0.06 -0.04 3.06 3.06 1lf3A1 TYR 184 HB3 0.01 0.03 -0.17 -0.04 2.98 2.81 1lf3A1 TYR 184 HD2 -0.00 0.06 -0.28 -0.04 7.15 6.89 1lf3A1 TYR 184 HE2 -0.03 -0.02 -0.19 -0.04 6.85 6.57 1lf3A1 GLU 185 H -0.02 0.78 0.28 -0.55 8.60 9.10 1lf3A1 GLU 185 HA 0.06 0.07 0.91 -0.75 4.29 4.58 1lf3A1 GLU 185 HB2 -0.06 0.04 0.09 -0.04 2.09 2.11 1lf3A1 GLU 185 HB3 -0.00 0.02 0.08 -0.04 1.99 2.04 1lf3A1 GLU 185 HG2 0.00 -0.06 -0.36 -0.04 2.34 1.88 1lf3A1 GLU 185 HG3 -0.08 0.02 -0.14 -0.04 2.34 2.10 1lf3A1 LYS 186 H 0.04 0.08 0.21 -0.55 8.42 8.20 1lf3A1 LYS 186 HA 0.09 0.23 0.86 -0.75 4.32 4.75 1lf3A1 LYS 186 HB2 0.02 -0.09 0.14 -0.04 1.87 1.90 1lf3A1 LYS 186 HB3 0.02 0.15 0.12 -0.04 1.79 2.04 1lf3A1 LYS 186 HG2 0.06 -0.09 -0.01 -0.04 1.46 1.38 1lf3A1 LYS 186 HG3 0.02 -0.03 0.05 -0.04 1.46 1.46 1lf3A1 LYS 186 HD2 0.04 -0.01 0.05 -0.04 1.69 1.73 1lf3A1 LYS 186 HD3 0.10 0.22 0.12 -0.04 1.68 2.08 1lf3A1 LYS 186 HE2 0.03 -0.07 -0.03 -0.04 2.99 2.88 1lf3A1 LYS 186 HE3 0.06 0.09 -0.05 -0.04 2.99 3.05 1lf3A1 LEU 187 H 0.06 0.38 0.27 -0.55 8.37 8.53 1lf3A1 LEU 187 HA 0.01 0.38 0.74 -0.75 4.35 4.72 1lf3A1 LEU 187 HB2 -0.12 -0.03 -0.02 -0.04 1.64 1.43 1lf3A1 LEU 187 HB3 -0.15 0.04 0.15 -0.04 1.64 1.64 1lf3A1 LEU 187 HG 0.16 0.11 -0.34 -0.04 1.64 1.54 1lf3A1 LEU 187 HD13 -0.19 0.01 -0.08 -0.04 0.93 0.63 1lf3A1 LEU 187 HD23 0.27 -0.03 -0.19 -0.04 0.89 0.90 1lf3A1 ASN 188 H -0.04 0.38 0.24 -0.55 8.53 8.57 1lf3A1 ASN 188 HA -0.14 0.19 0.79 -0.75 4.76 4.85 1lf3A1 ASN 188 HB2 -0.11 -0.01 0.05 -0.04 2.88 2.77 1lf3A1 ASN 188 HB3 -0.05 0.00 -0.00 -0.04 2.79 2.70 1lf3A1 ASN 188 HD21 0.14 -0.06 -0.15 -0.04 7.03 6.92 1lf3A1 ASN 188 HD22 0.44 0.02 -0.42 -0.04 7.74 7.73 1lf3A1 HIS 189 H -0.09 0.20 0.04 -0.55 8.41 8.02 1lf3A1 HIS 189 HA -0.15 0.14 0.56 -0.75 4.63 4.43 1lf3A1 HIS 189 HB2 -0.09 -0.07 0.01 -0.04 3.26 3.07 1lf3A1 HIS 189 HB3 -0.11 -0.03 -0.05 -0.04 3.20 2.96 1lf3A1 HIS 189 HD2 -0.06 -0.04 0.03 -0.04 6.97 6.85 1lf3A1 HIS 189 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.62 1lf3A1 ASP 190 H -0.22 0.21 0.01 -0.55 8.40 7.86 1lf3A1 ASP 190 HA -1.37 0.17 0.59 -0.75 4.63 3.27 1lf3A1 ASP 190 HB2 -0.27 0.00 0.17 -0.04 2.71 2.57 1lf3A1 ASP 190 HB3 -0.55 -0.04 0.21 -0.04 2.70 2.29 1lf3A1 LEU 191 H -0.40 0.48 -0.51 -0.55 8.37 7.39 1lf3A1 LEU 191 HA -0.14 0.09 0.68 -0.75 4.35 4.22 1lf3A1 LEU 191 HB2 -0.07 0.00 -0.15 -0.04 1.64 1.38 1lf3A1 LEU 191 HB3 0.01 -0.16 0.10 -0.04 1.64 1.55 1lf3A1 LEU 191 HG -0.35 0.01 -0.18 -0.04 1.64 1.07 1lf3A1 LEU 191 HD13 -0.08 0.00 -0.14 -0.04 0.93 0.67 1lf3A1 LEU 191 HD23 0.17 0.00 -0.05 -0.04 0.89 0.97 1lf3A1 TYR 192 H 0.10 0.10 0.12 -0.55 8.29 8.05 1lf3A1 TYR 192 HA 0.07 0.20 0.73 -0.75 4.56 4.80 1lf3A1 TYR 192 HB2 0.01 -0.04 -0.05 -0.04 3.06 2.94 1lf3A1 TYR 192 HB3 0.12 0.00 -0.00 -0.04 2.98 3.06 1lf3A1 TYR 192 HD2 0.06 -0.03 -0.01 -0.04 7.15 7.14 1lf3A1 TYR 192 HE2 0.08 0.07 0.01 -0.04 6.85 6.97 1lf3A1 TRP 193 H 0.54 0.26 0.08 -0.55 7.97 8.31 1lf3A1 TRP 193 HA 0.28 0.14 0.58 -0.75 4.62 4.87 1lf3A1 TRP 193 HB2 0.32 0.08 0.30 -0.04 3.23 3.88 1lf3A1 TRP 193 HB3 0.32 0.02 0.12 -0.04 3.23 3.65 1lf3A1 TRP 193 HD1 0.22 0.14 0.14 -0.04 7.22 7.68 1lf3A1 TRP 193 HE1 0.07 0.35 0.05 -0.04 10.20 10.63 1lf3A1 TRP 193 HE3 0.32 0.02 -0.12 -0.04 7.59 7.76 1lf3A1 TRP 193 HZ2 -0.87 0.12 -0.05 -0.04 7.44 6.60 1lf3A1 TRP 193 HZ3 0.13 0.03 -0.16 -0.04 7.13 7.10 1lf3A1 TRP 193 HH2 -1.59 -0.07 -0.33 -0.04 7.19 5.16 1lf3A1 GLN 194 HE21 0.04 0.08 -0.03 -0.04 6.97 7.02 1lf3A1 GLN 194 HE22 0.08 -0.24 0.08 -0.04 7.69 7.57 1lf3A1 GLN 194 H 0.08 0.51 0.02 -0.55 8.47 8.53 1lf3A1 GLN 194 HA 0.03 0.38 1.11 -0.75 4.36 5.13 1lf3A1 GLN 194 HB2 -0.00 0.04 -0.12 -0.04 2.15 2.02 1lf3A1 GLN 194 HB3 -0.02 -0.05 -0.12 -0.04 2.02 1.79 1lf3A1 GLN 194 HG2 0.07 0.17 -0.01 -0.04 2.40 2.58 1lf3A1 GLN 194 HG3 0.04 -0.13 0.17 -0.04 2.39 2.42 1lf3A1 ILE 195 H -0.05 0.88 0.43 -0.55 8.25 8.96 1lf3A1 ILE 195 HA -0.02 0.17 0.93 -0.75 4.18 4.50 1lf3A1 ILE 195 HB -0.04 -0.01 0.07 -0.04 1.89 1.87 1lf3A1 ILE 195 HG12 -0.13 0.10 -0.01 -0.04 1.49 1.41 1lf3A1 ILE 195 HG13 -0.14 -0.05 -0.31 -0.04 1.21 0.67 1lf3A1 ILE 195 HG23 0.01 0.03 -0.45 -0.04 0.93 0.47 1lf3A1 ILE 195 HD13 -0.21 -0.00 -0.16 -0.04 0.88 0.47 1lf3A1 THR 196 H -0.02 0.22 0.20 -0.55 8.28 8.13 1lf3A1 THR 196 HA -0.03 0.44 1.07 -0.75 4.39 5.12 1lf3A1 THR 196 HB -0.01 -0.05 0.15 -0.04 4.32 4.38 1lf3A1 THR 196 HG23 0.00 0.01 -0.16 -0.04 1.22 1.03 1lf3A1 LEU 197 H -0.03 0.68 0.32 -0.55 8.37 8.80 1lf3A1 LEU 197 HA 0.02 0.17 0.84 -0.75 4.35 4.63 1lf3A1 LEU 197 HB2 -0.07 -0.02 -0.13 -0.04 1.64 1.37 1lf3A1 LEU 197 HB3 0.07 0.03 -0.02 -0.04 1.64 1.68 1lf3A1 LEU 197 HG -0.10 -0.08 -0.58 -0.04 1.64 0.84 1lf3A1 LEU 197 HD13 -0.21 -0.00 -0.21 -0.04 0.93 0.47 1lf3A1 LEU 197 HD23 0.08 0.07 -0.11 -0.04 0.89 0.89 1lf3A1 ASP 198 H 0.01 0.66 0.41 -0.55 8.40 8.93 1lf3A1 ASP 198 HA -0.06 0.15 1.02 -0.75 4.63 4.99 1lf3A1 ASP 198 HB2 -0.00 0.07 0.27 -0.04 2.71 3.01 1lf3A1 ASP 198 HB3 -0.15 0.07 0.03 -0.04 2.70 2.61 1lf3A1 ALA 199 H -0.16 0.56 0.40 -0.55 8.40 8.66 1lf3A1 ALA 199 HA -0.44 0.45 1.12 -0.75 4.34 4.72 1lf3A1 ALA 199 HB3 -0.29 -0.04 0.02 -0.04 1.41 1.06 1lf3A1 HIS 200 H -0.28 0.43 0.40 -0.55 8.41 8.42 1lf3A1 HIS 200 HA 0.00 0.30 0.94 -0.75 4.63 5.12 1lf3A1 HIS 200 HB2 -0.07 -0.06 0.11 -0.04 3.26 3.21 1lf3A1 HIS 200 HB3 -0.04 0.10 -0.00 -0.04 3.20 3.21 1lf3A1 HIS 200 HD2 -0.03 -0.04 -0.21 -0.04 6.97 6.65 1lf3A1 HIS 200 HE1 0.02 -0.08 -0.11 -0.04 7.75 7.53 1lf3A1 VAL 201 H -0.01 0.48 -0.05 -0.55 8.24 8.11 1lf3A1 VAL 201 HA -0.20 0.30 0.87 -0.75 4.13 4.33 1lf3A1 VAL 201 HB -0.28 -0.20 0.15 -0.04 2.12 1.76 1lf3A1 VAL 201 HG13 -0.37 0.03 -0.05 -0.04 0.97 0.54 1lf3A1 VAL 201 HG23 -0.11 -0.00 -0.24 -0.04 0.95 0.56 1lf3A1 GLY 202 H -0.18 0.05 0.10 -0.55 8.43 7.85 1lf3A1 GLY 202 HA2 -0.08 0.18 0.56 -0.51 4.01 4.17 1lf3A1 GLY 202 HA3 -0.10 -0.02 0.46 -0.51 4.01 3.84 1lf3A1 ASN 203 H -0.09 0.07 0.18 -0.55 8.53 8.15 1lf3A1 ASN 203 HA -0.04 0.22 0.65 -0.75 4.76 4.83 1lf3A1 ASN 203 HB2 -0.05 -0.02 -0.01 -0.04 2.88 2.75 1lf3A1 ASN 203 HB3 -0.03 0.02 0.08 -0.04 2.79 2.81 1lf3A1 ASN 203 HD21 -0.04 0.04 0.01 -0.04 7.03 7.00 1lf3A1 ASN 203 HD22 -0.05 -0.01 0.03 -0.04 7.74 7.67 1lf3A1 ILE 204 H -0.12 -0.16 0.01 -0.55 8.25 7.43 1lf3A1 ILE 204 HA -0.10 0.05 0.35 -0.75 4.18 3.73 1lf3A1 ILE 204 HB -0.38 -0.09 0.00 -0.04 1.89 1.38 1lf3A1 ILE 204 HG12 -0.21 -0.23 0.16 -0.04 1.49 1.17 1lf3A1 ILE 204 HG13 -0.39 0.12 -0.01 -0.04 1.21 0.89 1lf3A1 ILE 204 HG23 -0.66 0.03 -0.08 -0.04 0.93 0.19 1lf3A1 ILE 204 HD13 -0.18 0.04 -0.03 -0.04 0.88 0.68 1lf3A1 MET 205 H 0.04 0.19 0.23 -0.55 8.47 8.38 1lf3A1 MET 205 HA 0.19 0.41 0.92 -0.75 4.52 5.28 1lf3A1 MET 205 HB2 0.11 -0.08 0.06 -0.04 2.15 2.20 1lf3A1 MET 205 HB3 0.22 -0.03 0.01 -0.04 2.03 2.19 1lf3A1 MET 205 HG2 0.29 0.08 -0.14 -0.04 2.63 2.81 1lf3A1 MET 205 HG3 0.07 0.34 -0.33 -0.04 2.56 2.59 1lf3A1 MET 205 HE3 0.04 -0.02 -0.01 -0.04 2.10 2.07 1lf3A1 LEU 206 H 0.10 0.57 0.25 -0.55 8.37 8.75 1lf3A1 LEU 206 HA 0.15 0.13 0.88 -0.75 4.35 4.76 1lf3A1 LEU 206 HB2 0.42 -0.01 -0.15 -0.04 1.64 1.86 1lf3A1 LEU 206 HB3 0.24 -0.06 0.14 -0.04 1.64 1.93 1lf3A1 LEU 206 HG 0.15 0.08 -0.15 -0.04 1.64 1.68 1lf3A1 LEU 206 HD13 0.13 -0.01 0.08 -0.04 0.93 1.09 1lf3A1 LEU 206 HD23 0.18 -0.03 -0.04 -0.04 0.89 0.96 1lf3A1 GLU 207 H 0.08 0.17 0.12 -0.55 8.60 8.41 1lf3A1 GLU 207 HA 0.03 0.08 0.83 -0.75 4.29 4.48 1lf3A1 GLU 207 HB2 0.05 0.01 0.11 -0.04 2.09 2.22 1lf3A1 GLU 207 HB3 0.04 0.03 -0.02 -0.04 1.99 2.00 1lf3A1 GLU 207 HG2 0.07 0.01 0.02 -0.04 2.34 2.39 1lf3A1 GLU 207 HG3 0.08 -0.02 -0.08 -0.04 2.34 2.28 1lf3A1 LYS 208 H 0.02 0.09 0.07 -0.55 8.42 8.05 1lf3A1 LYS 208 HA 0.02 -0.01 0.25 -0.75 4.32 3.82 1lf3A1 LYS 208 HB2 0.03 -0.03 -0.33 -0.04 1.87 1.50 1lf3A1 LYS 208 HB3 0.02 0.03 0.25 -0.04 1.79 2.05 1lf3A1 LYS 208 HG2 0.01 0.00 0.00 -0.04 1.46 1.44 1lf3A1 LYS 208 HG3 0.01 0.01 0.02 -0.04 1.46 1.46 1lf3A1 LYS 208 HD2 0.02 -0.01 0.02 -0.04 1.69 1.67 1lf3A1 LYS 208 HD3 0.02 -0.03 -0.05 -0.04 1.68 1.58 1lf3A1 LYS 208 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 1lf3A1 LYS 208 HE3 0.01 0.01 -0.00 -0.04 2.99 2.96 1lf3A1 ALA 209 H 0.02 0.61 0.06 -0.55 8.40 8.55 1lf3A1 ALA 209 HA 0.06 0.16 0.59 -0.75 4.34 4.40 1lf3A1 ALA 209 HB3 0.18 -0.01 -0.05 -0.04 1.41 1.49 1lf3A1 ASN 210 H 0.00 0.65 0.31 -0.55 8.53 8.95 1lf3A1 ASN 210 HA -0.04 0.18 0.82 -0.75 4.76 4.97 1lf3A1 ASN 210 HB2 -0.04 0.03 0.05 -0.04 2.88 2.88 1lf3A1 ASN 210 HB3 -0.13 -0.01 0.18 -0.04 2.79 2.79 1lf3A1 ASN 210 HD21 -0.12 -0.09 -0.21 -0.04 7.03 6.58 1lf3A1 ASN 210 HD22 -0.24 -0.04 -0.26 -0.04 7.74 7.15 1lf3A1 CYS 211 H -0.09 1.08 0.44 -0.55 8.50 9.38 1lf3A1 CYS 211 HA -0.14 0.35 1.10 -0.75 4.58 5.14 1lf3A1 CYS 211 HB2 -0.23 -0.04 0.05 -0.04 2.97 2.71 1lf3A1 CYS 211 HB3 -0.37 0.00 -0.07 -0.04 2.97 2.49 1lf3A1 ILE 212 H -0.19 0.60 0.34 -0.55 8.25 8.45 1lf3A1 ILE 212 HA -0.04 0.10 0.67 -0.75 4.18 4.17 1lf3A1 ILE 212 HB -0.21 -0.02 0.09 -0.04 1.89 1.71 1lf3A1 ILE 212 HG12 -0.23 -0.04 -0.15 -0.04 1.49 1.03 1lf3A1 ILE 212 HG13 -0.32 0.04 -0.19 -0.04 1.21 0.69 1lf3A1 ILE 212 HG23 -0.08 -0.03 -0.33 -0.04 0.93 0.45 1lf3A1 ILE 212 HD13 -0.60 0.00 -0.11 -0.04 0.88 0.13 1lf3A1 VAL 213 H 0.14 0.63 0.17 -0.55 8.24 8.63 1lf3A1 VAL 213 HA -0.06 0.25 0.89 -0.75 4.13 4.45 1lf3A1 VAL 213 HB 0.28 -0.05 0.19 -0.04 2.12 2.50 1lf3A1 VAL 213 HG13 0.06 0.01 -0.10 -0.04 0.97 0.90 1lf3A1 VAL 213 HG23 -0.14 0.04 -0.09 -0.04 0.95 0.71 1lf3A1 ASP 214 H 0.03 0.44 -0.06 -0.55 8.40 8.26 1lf3A1 ASP 214 HA 0.13 0.09 0.91 -0.75 4.63 5.01 1lf3A1 ASP 214 HB2 0.10 0.05 -0.28 -0.04 2.71 2.54 1lf3A1 ASP 214 HB3 0.05 0.08 -0.08 -0.04 2.70 2.71 1lf3A1 SER 215 H 0.00 0.01 0.16 -0.55 8.46 8.09 1lf3A1 SER 215 HA -0.03 0.22 0.54 -0.75 4.49 4.46 1lf3A1 SER 215 HB2 -0.21 0.10 0.11 -0.04 3.95 3.91 1lf3A1 SER 215 HB3 -0.36 0.05 0.08 -0.04 3.93 3.65 1lf3A1 GLY 216 H -0.01 -0.11 -0.15 -0.55 8.43 7.60 1lf3A1 GLY 216 HA2 -0.16 0.24 0.51 -0.51 4.01 4.09 1lf3A1 GLY 216 HA3 -0.06 -0.09 0.27 -0.51 4.01 3.62 1lf3A1 THR 217 H 0.00 0.30 -0.62 -0.55 8.28 7.41 1lf3A1 THR 217 HA 0.03 0.14 0.90 -0.75 4.39 4.71 1lf3A1 THR 217 HB 0.03 0.06 0.09 -0.04 4.32 4.47 1lf3A1 THR 217 HG23 0.04 0.03 -0.10 -0.04 1.22 1.15 1lf3A1 SER 218 H 0.03 0.16 0.10 -0.55 8.46 8.21 1lf3A1 SER 218 HA 0.04 0.10 0.41 -0.75 4.49 4.29 1lf3A1 SER 218 HB2 0.05 0.07 0.26 -0.04 3.95 4.29 1lf3A1 SER 218 HB3 0.04 0.04 0.21 -0.04 3.93 4.18 1lf3A1 ALA 219 H 0.05 -0.09 -0.39 -0.55 8.40 7.42 1lf3A1 ALA 219 HA 0.06 0.33 1.01 -0.75 4.34 4.99 1lf3A1 ALA 219 HB3 0.04 0.01 -0.05 -0.04 1.41 1.37 1lf3A1 ILE 220 H 0.02 0.51 0.34 -0.55 8.25 8.58 1lf3A1 ILE 220 HA -0.02 0.17 1.00 -0.75 4.18 4.57 1lf3A1 ILE 220 HB -0.09 0.05 0.21 -0.04 1.89 2.02 1lf3A1 ILE 220 HG12 0.04 0.03 -0.04 -0.04 1.49 1.48 1lf3A1 ILE 220 HG13 -0.09 0.02 -0.04 -0.04 1.21 1.06 1lf3A1 ILE 220 HG23 -0.15 -0.00 -0.16 -0.04 0.93 0.58 1lf3A1 ILE 220 HD13 0.02 -0.05 0.01 -0.04 0.88 0.82 1lf3A1 THR 221 H -0.00 0.36 0.35 -0.55 8.28 8.44 1lf3A1 THR 221 HA -0.01 0.33 1.11 -0.75 4.39 5.07 1lf3A1 THR 221 HB 0.05 0.05 -0.00 -0.04 4.32 4.37 1lf3A1 THR 221 HG23 0.05 0.00 -0.13 -0.04 1.22 1.10 1lf3A1 VAL 222 H -0.04 0.60 0.42 -0.55 8.24 8.66 1lf3A1 VAL 222 HA -0.60 0.15 0.79 -0.75 4.13 3.71 1lf3A1 VAL 222 HB 0.04 0.03 -0.10 -0.04 2.12 2.05 1lf3A1 VAL 222 HG13 0.02 0.06 -0.19 -0.04 0.97 0.82 1lf3A1 VAL 222 HG23 0.23 -0.00 -0.30 -0.04 0.95 0.83 1lf3A1 PRO 223 HA -0.07 0.23 0.55 -0.51 4.44 4.65 1lf3A1 PRO 223 HB2 -0.03 -0.15 0.07 -0.04 2.28 2.13 1lf3A1 PRO 223 HB3 -0.06 0.05 0.14 -0.04 2.02 2.10 1lf3A1 PRO 223 HG2 -0.41 0.04 0.04 -0.04 2.03 1.66 1lf3A1 PRO 223 HG3 -0.35 0.07 0.11 -0.04 2.03 1.82 1lf3A1 PRO 223 HD2 -1.01 0.06 0.15 -0.04 3.68 2.84 1lf3A1 PRO 223 HD3 -1.48 0.23 0.09 -0.04 3.65 2.46 1lf3A1 THR 224 H 0.01 0.17 0.06 -0.55 8.28 7.96 1lf3A1 THR 224 HA 0.05 0.10 0.32 -0.75 4.39 4.11 1lf3A1 THR 224 HB 0.05 0.06 -0.02 -0.04 4.32 4.37 1lf3A1 THR 224 HG23 0.04 0.02 -0.03 -0.04 1.22 1.20 1lf3A1 ASP 225 H 0.05 0.13 -0.08 -0.55 8.40 7.95 1lf3A1 ASP 225 HA 0.04 0.06 0.34 -0.75 4.63 4.32 1lf3A1 ASP 225 HB2 0.05 0.07 -0.05 -0.04 2.71 2.74 1lf3A1 ASP 225 HB3 0.04 0.05 0.08 -0.04 2.70 2.83 1lf3A1 PHE 226 H 0.18 0.06 -0.49 -0.55 8.34 7.54 1lf3A1 PHE 226 HA 0.01 0.00 0.34 -0.75 4.62 4.22 1lf3A1 PHE 226 HB2 -0.02 -0.09 0.04 -0.04 3.15 3.03 1lf3A1 PHE 226 HB3 -0.05 0.25 0.04 -0.04 3.06 3.26 1lf3A1 PHE 226 HD2 0.11 0.03 -0.24 -0.04 7.28 7.14 1lf3A1 PHE 226 HE2 0.22 0.02 -0.23 -0.04 7.38 7.35 1lf3A1 PHE 226 HZ 0.10 0.01 -0.29 -0.04 7.32 7.11 1lf3A1 LEU 227 H 0.16 0.44 -0.17 -0.55 8.37 8.25 1lf3A1 LEU 227 HA 0.14 0.04 0.34 -0.75 4.35 4.12 1lf3A1 LEU 227 HB2 0.09 -0.01 -0.09 -0.04 1.64 1.59 1lf3A1 LEU 227 HB3 0.07 0.06 0.15 -0.04 1.64 1.87 1lf3A1 LEU 227 HG -0.08 -0.01 -0.31 -0.04 1.64 1.20 1lf3A1 LEU 227 HD13 -0.06 0.00 -0.08 -0.04 0.93 0.75 1lf3A1 LEU 227 HD23 0.16 -0.01 -0.13 -0.04 0.89 0.86 1lf3A1 ASN 228 H 0.02 0.44 -0.03 -0.55 8.53 8.41 1lf3A1 ASN 228 HA -0.08 0.09 0.46 -0.75 4.76 4.48 1lf3A1 ASN 228 HB2 0.01 0.02 0.07 -0.04 2.88 2.94 1lf3A1 ASN 228 HB3 -0.01 0.01 -0.07 -0.04 2.79 2.68 1lf3A1 ASN 228 HD21 0.11 0.00 -0.04 -0.04 7.03 7.06 1lf3A1 ASN 228 HD22 0.06 -0.03 -0.06 -0.04 7.74 7.67 1lf3A1 LYS 229 H -0.05 0.50 -0.09 -0.55 8.42 8.22 1lf3A1 LYS 229 HA -0.06 0.01 0.40 -0.75 4.32 3.91 1lf3A1 LYS 229 HB2 -0.16 0.12 0.12 -0.04 1.87 1.90 1lf3A1 LYS 229 HB3 -0.14 -0.06 -0.01 -0.04 1.79 1.53 1lf3A1 LYS 229 HG2 -0.05 -0.03 0.06 -0.04 1.46 1.40 1lf3A1 LYS 229 HG3 -0.05 0.09 0.05 -0.04 1.46 1.51 1lf3A1 LYS 229 HD2 -0.12 -0.03 -0.01 -0.04 1.69 1.49 1lf3A1 LYS 229 HD3 -0.06 -0.01 0.01 -0.04 1.68 1.57 1lf3A1 LYS 229 HE2 -0.02 -0.01 -0.08 -0.04 2.99 2.83 1lf3A1 LYS 229 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 1lf3A1 MET 230 H -0.13 0.27 -0.54 -0.55 8.47 7.52 1lf3A1 MET 230 HA -0.17 -0.07 0.46 -0.75 4.52 3.99 1lf3A1 MET 230 HB2 -0.18 0.17 0.17 -0.04 2.15 2.27 1lf3A1 MET 230 HB3 -0.08 0.27 0.15 -0.04 2.03 2.33 1lf3A1 MET 230 HG2 -0.13 0.04 -0.04 -0.04 2.63 2.46 1lf3A1 MET 230 HG3 -0.24 -0.16 0.04 -0.04 2.56 2.16 1lf3A1 MET 230 HE3 -0.09 0.01 -0.10 -0.04 2.10 1.87 1lf3A1 LEU 231 H -0.11 0.22 -0.09 -0.55 8.37 7.85 1lf3A1 LEU 231 HA -0.10 0.09 0.50 -0.75 4.35 4.09 1lf3A1 LEU 231 HB2 -0.17 -0.05 0.06 -0.04 1.64 1.44 1lf3A1 LEU 231 HB3 -0.21 -0.00 0.05 -0.04 1.64 1.44 1lf3A1 LEU 231 HG -0.21 0.32 0.00 -0.04 1.64 1.71 1lf3A1 LEU 231 HD13 -0.93 -0.04 -0.12 -0.04 0.93 -0.20 1lf3A1 LEU 231 HD23 -0.22 -0.00 -0.11 -0.04 0.89 0.51 1lf3A1 GLN 232 HE21 -0.03 -0.05 0.02 -0.04 6.97 6.87 1lf3A1 GLN 232 HE22 -0.02 -0.02 0.02 -0.04 7.69 7.63 1lf3A1 GLN 232 H -0.07 0.29 -0.36 -0.55 8.47 7.78 1lf3A1 GLN 232 HA -0.03 -0.06 0.38 -0.75 4.36 3.90 1lf3A1 GLN 232 HB2 -0.05 0.04 0.09 -0.04 2.15 2.19 1lf3A1 GLN 232 HB3 -0.03 -0.08 0.04 -0.04 2.02 1.91 1lf3A1 GLN 232 HG2 -0.03 -0.08 0.04 -0.04 2.40 2.28 1lf3A1 GLN 232 HG3 -0.06 0.24 0.18 -0.04 2.39 2.72 1lf3A1 ASN 233 H -0.02 0.07 0.17 -0.55 8.53 8.20 1lf3A1 ASN 233 HA -0.01 -0.05 0.42 -0.75 4.76 4.37 1lf3A1 ASN 233 HB2 -0.02 -0.08 -0.07 -0.04 2.88 2.67 1lf3A1 ASN 233 HB3 -0.02 0.24 -0.01 -0.04 2.79 2.96 1lf3A1 ASN 233 HD21 -0.01 -0.07 -0.09 -0.04 7.03 6.82 1lf3A1 ASN 233 HD22 -0.02 0.08 -0.06 -0.04 7.74 7.70 1lf3A1 LEU 234 H -0.03 0.61 -0.21 -0.55 8.37 8.20 1lf3A1 LEU 234 HA -0.01 -0.13 0.34 -0.75 4.35 3.79 1lf3A1 LEU 234 HB2 -0.03 0.05 -0.10 -0.04 1.64 1.53 1lf3A1 LEU 234 HB3 -0.00 -0.10 -0.07 -0.04 1.64 1.43 1lf3A1 LEU 234 HG -0.04 0.23 -0.04 -0.04 1.64 1.75 1lf3A1 LEU 234 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.78 1lf3A1 LEU 234 HD23 -0.02 -0.07 0.01 -0.04 0.89 0.76 1lf3A1 ASP 235 H 0.00 -0.02 0.17 -0.55 8.40 8.01 1lf3A1 ASP 235 HA 0.01 0.06 0.45 -0.75 4.63 4.40 1lf3A1 ASP 235 HB2 0.01 -0.08 0.30 -0.04 2.71 2.90 1lf3A1 ASP 235 HB3 0.01 -0.02 0.14 -0.04 2.70 2.79 1lf3A1 VAL 236 H 0.02 0.23 0.28 -0.55 8.24 8.22 1lf3A1 VAL 236 HA 0.05 0.15 0.70 -0.75 4.13 4.27 1lf3A1 VAL 236 HB 0.04 0.09 -0.10 -0.04 2.12 2.11 1lf3A1 VAL 236 HG13 -0.03 0.06 -0.13 -0.04 0.97 0.84 1lf3A1 VAL 236 HG23 0.20 -0.04 -0.00 -0.04 0.95 1.07 1lf3A1 ILE 237 H 0.05 0.09 0.17 -0.55 8.25 8.01 1lf3A1 ILE 237 HA 0.05 0.16 0.71 -0.75 4.18 4.35 1lf3A1 ILE 237 HB -0.04 0.02 0.03 -0.04 1.89 1.86 1lf3A1 ILE 237 HG12 -0.02 -0.03 0.06 -0.04 1.49 1.47 1lf3A1 ILE 237 HG13 -0.05 -0.01 -0.15 -0.04 1.21 0.97 1lf3A1 ILE 237 HG23 -0.01 -0.00 -0.00 -0.04 0.93 0.87 1lf3A1 ILE 237 HD13 -0.16 0.01 -0.11 -0.04 0.88 0.58 1lf3A1 LYS 238 H 0.01 0.21 0.14 -0.55 8.42 8.23 1lf3A1 LYS 238 HA -0.04 0.23 0.89 -0.75 4.32 4.65 1lf3A1 LYS 238 HB2 0.07 -0.00 0.05 -0.04 1.87 1.95 1lf3A1 LYS 238 HB3 0.09 -0.00 -0.00 -0.04 1.79 1.83 1lf3A1 LYS 238 HG2 -0.01 0.04 -0.03 -0.04 1.46 1.42 1lf3A1 LYS 238 HG3 0.00 -0.03 -0.12 -0.04 1.46 1.27 1lf3A1 LYS 238 HD2 0.02 -0.01 0.00 -0.04 1.69 1.66 1lf3A1 LYS 238 HD3 0.05 -0.01 -0.00 -0.04 1.68 1.68 1lf3A1 LYS 238 HE2 0.03 -0.01 0.03 -0.04 2.99 2.99 1lf3A1 LYS 238 HE3 0.04 0.02 0.05 -0.04 2.99 3.06 1lf3A1 VAL 239 H -0.12 0.19 0.18 -0.55 8.24 7.95 1lf3A1 VAL 239 HA -0.11 -0.11 0.37 -0.75 4.13 3.52 1lf3A1 VAL 239 HB -0.05 0.27 0.46 -0.04 2.12 2.76 1lf3A1 VAL 239 HG13 -0.05 0.00 0.09 -0.04 0.97 0.98 1lf3A1 VAL 239 HG23 -0.05 -0.05 -0.23 -0.04 0.95 0.58 1lf3A1 PRO 240 HA -0.46 0.10 0.14 -0.51 4.44 3.71 1lf3A1 PRO 240 HB2 -0.09 -0.20 -0.14 -0.04 2.28 1.81 1lf3A1 PRO 240 HB3 -0.17 0.08 -0.08 -0.04 2.02 1.81 1lf3A1 PRO 240 HG2 -0.03 0.22 -0.72 -0.04 2.03 1.45 1lf3A1 PRO 240 HG3 -0.09 0.05 -0.26 -0.04 2.03 1.69 1lf3A1 PRO 240 HD2 -0.11 -0.26 0.12 -0.04 3.68 3.39 1lf3A1 PRO 240 HD3 -0.11 0.10 0.16 -0.04 3.65 3.76 1lf3A1 PHE 241 H -0.05 -0.21 0.09 -0.55 8.34 7.61 1lf3A1 PHE 241 HA -0.01 0.20 0.69 -0.75 4.62 4.74 1lf3A1 PHE 241 HB2 0.00 -0.01 -0.04 -0.04 3.15 3.06 1lf3A1 PHE 241 HB3 -0.00 0.01 0.08 -0.04 3.06 3.10 1lf3A1 PHE 241 HD2 0.00 0.05 0.03 -0.04 7.28 7.32 1lf3A1 PHE 241 HE2 0.00 0.00 -0.03 -0.04 7.38 7.31 1lf3A1 PHE 241 HZ 0.01 -0.02 -0.04 -0.04 7.32 7.22 1lf3A1 LEU 242 H 0.03 -0.32 -0.00 -0.55 8.37 7.54 1lf3A1 LEU 242 HA 0.03 0.12 0.46 -0.75 4.35 4.20 1lf3A1 LEU 242 HB2 0.08 -0.07 -0.15 -0.04 1.64 1.47 1lf3A1 LEU 242 HB3 0.04 0.05 0.18 -0.04 1.64 1.87 1lf3A1 LEU 242 HG 0.03 -0.00 0.05 -0.04 1.64 1.68 1lf3A1 LEU 242 HD13 0.04 0.02 0.11 -0.04 0.93 1.06 1lf3A1 LEU 242 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.86 1lf3A1 PRO 243 HA -0.09 -0.02 0.23 -0.51 4.44 4.05 1lf3A1 PRO 243 HB2 -0.19 0.08 -0.14 -0.04 2.28 1.99 1lf3A1 PRO 243 HB3 -0.28 -0.07 0.08 -0.04 2.02 1.71 1lf3A1 PRO 243 HG2 -0.10 0.08 -0.10 -0.04 2.03 1.86 1lf3A1 PRO 243 HG3 -0.09 0.06 -0.13 -0.04 2.03 1.83 1lf3A1 PRO 243 HD2 -0.02 0.20 -0.17 -0.04 3.68 3.65 1lf3A1 PRO 243 HD3 -0.00 0.13 -0.51 -0.04 3.65 3.23 1lf3A1 PHE 244 H -0.18 0.02 0.16 -0.55 8.34 7.78 1lf3A1 PHE 244 HA -0.35 -0.04 0.38 -0.75 4.62 3.86 1lf3A1 PHE 244 HB2 -0.06 0.27 -0.06 -0.04 3.15 3.26 1lf3A1 PHE 244 HB3 -0.07 -0.25 0.39 -0.04 3.06 3.08 1lf3A1 PHE 244 HD2 -0.20 0.03 0.02 -0.04 7.28 7.10 1lf3A1 PHE 244 HE2 -0.03 -0.02 0.02 -0.04 7.38 7.30 1lf3A1 PHE 244 HZ -0.00 -0.01 0.04 -0.04 7.32 7.30 1lf3A1 TYR 245 H 0.15 0.25 0.25 -0.55 8.29 8.39 1lf3A1 TYR 245 HA 0.06 0.31 1.08 -0.75 4.56 5.26 1lf3A1 TYR 245 HB2 0.02 0.02 0.19 -0.04 3.06 3.25 1lf3A1 TYR 245 HB3 0.04 0.06 0.03 -0.04 2.98 3.07 1lf3A1 TYR 245 HD2 -0.04 0.22 0.04 -0.04 7.15 7.34 1lf3A1 TYR 245 HE2 -0.00 -0.03 -0.05 -0.04 6.85 6.72 1lf3A1 VAL 246 H 0.14 0.22 0.25 -0.55 8.24 8.30 1lf3A1 VAL 246 HA 0.07 0.25 1.16 -0.75 4.13 4.86 1lf3A1 VAL 246 HB 0.01 -0.03 -0.04 -0.04 2.12 2.02 1lf3A1 VAL 246 HG13 0.03 0.03 -0.22 -0.04 0.97 0.76 1lf3A1 VAL 246 HG23 -0.01 -0.04 -0.10 -0.04 0.95 0.76 1lf3A1 THR 247 H 0.01 0.70 0.40 -0.55 8.28 8.85 1lf3A1 THR 247 HA 0.02 0.11 0.65 -0.75 4.39 4.41 1lf3A1 THR 247 HB 0.03 0.33 0.02 -0.04 4.32 4.66 1lf3A1 THR 247 HG23 0.03 -0.05 -0.25 -0.04 1.22 0.90 1lf3A1 LEU 248 H -0.00 0.16 0.20 -0.55 8.37 8.18 1lf3A1 LEU 248 HA -0.02 0.41 0.80 -0.75 4.35 4.78 1lf3A1 LEU 248 HB2 -0.00 -0.09 0.24 -0.04 1.64 1.75 1lf3A1 LEU 248 HB3 -0.01 -0.02 0.14 -0.04 1.64 1.72 1lf3A1 LEU 248 HG 0.00 0.01 0.04 -0.04 1.64 1.65 1lf3A1 LEU 248 HD13 0.00 0.01 -0.16 -0.04 0.93 0.74 1lf3A1 LEU 248 HD23 0.01 -0.03 0.07 -0.04 0.89 0.90 1lf3A1 CYS 249 H -0.08 0.37 0.02 -0.55 8.50 8.26 1lf3A1 CYS 249 HA -0.11 0.07 0.20 -0.75 4.58 3.99 1lf3A1 CYS 249 HB2 -0.05 -0.04 -0.08 -0.04 2.97 2.76 1lf3A1 CYS 249 HB3 -0.20 0.05 -0.02 -0.04 2.97 2.76 1lf3A1 ASN 250 H -0.02 0.02 -0.77 -0.55 8.53 7.21 1lf3A1 ASN 250 HA -0.01 0.23 0.75 -0.75 4.76 4.98 1lf3A1 ASN 250 HB2 0.00 -0.01 0.13 -0.04 2.88 2.95 1lf3A1 ASN 250 HB3 0.01 -0.02 -0.00 -0.04 2.79 2.74 1lf3A1 ASN 250 HD21 0.01 0.07 0.05 -0.04 7.03 7.12 1lf3A1 ASN 250 HD22 0.01 -0.03 0.01 -0.04 7.74 7.69 1lf3A1 ASN 251 H -0.02 0.87 -0.05 -0.55 8.53 8.79 1lf3A1 ASN 251 HA -0.00 -0.06 0.46 -0.75 4.76 4.40 1lf3A1 ASN 251 HB2 -0.00 0.04 0.21 -0.04 2.88 3.09 1lf3A1 ASN 251 HB3 -0.00 0.06 0.14 -0.04 2.79 2.95 1lf3A1 ASN 251 HD21 0.00 -0.13 0.13 -0.04 7.03 6.99 1lf3A1 ASN 251 HD22 0.00 0.10 0.16 -0.04 7.74 7.96 1lf3A1 SER 252 H 0.00 0.12 0.29 -0.55 8.46 8.32 1lf3A1 SER 252 HA 0.00 0.17 0.49 -0.75 4.49 4.40 1lf3A1 SER 252 HB2 0.00 0.01 0.17 -0.04 3.95 4.09 1lf3A1 SER 252 HB3 0.00 0.06 0.16 -0.04 3.93 4.11 1lf3A1 LYS 253 H 0.00 -0.04 -0.44 -0.55 8.42 7.38 1lf3A1 LYS 253 HA -0.00 0.17 0.61 -0.75 4.32 4.34 1lf3A1 LYS 253 HB2 -0.00 -0.02 -0.03 -0.04 1.87 1.78 1lf3A1 LYS 253 HB3 -0.01 0.05 0.08 -0.04 1.79 1.87 1lf3A1 LYS 253 HG2 -0.00 0.05 -0.05 -0.04 1.46 1.41 1lf3A1 LYS 253 HG3 -0.00 -0.14 0.01 -0.04 1.46 1.28 1lf3A1 LYS 253 HD2 -0.00 -0.08 0.02 -0.04 1.69 1.58 1lf3A1 LYS 253 HD3 -0.01 0.05 -0.04 -0.04 1.68 1.64 1lf3A1 LYS 253 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 1lf3A1 LYS 253 HE3 -0.00 -0.05 0.03 -0.04 2.99 2.93 1lf3A1 LEU 254 H 0.02 0.21 -0.28 -0.55 8.37 7.77 1lf3A1 LEU 254 HA 0.06 0.06 0.39 -0.75 4.35 4.11 1lf3A1 LEU 254 HB2 0.02 0.05 0.08 -0.04 1.64 1.75 1lf3A1 LEU 254 HB3 0.11 0.04 -0.02 -0.04 1.64 1.73 1lf3A1 LEU 254 HG 0.02 -0.10 0.02 -0.04 1.64 1.54 1lf3A1 LEU 254 HD13 -0.03 0.01 -0.08 -0.04 0.93 0.79 1lf3A1 LEU 254 HD23 0.09 -0.00 -0.07 -0.04 0.89 0.87 1lf3A1 PRO 255 HA 0.01 0.14 0.54 -0.51 4.44 4.61 1lf3A1 PRO 255 HB2 -0.16 0.02 -0.08 -0.04 2.28 2.02 1lf3A1 PRO 255 HB3 -0.08 0.04 0.03 -0.04 2.02 1.97 1lf3A1 PRO 255 HG2 -0.21 -0.02 -0.10 -0.04 2.03 1.66 1lf3A1 PRO 255 HG3 -0.16 0.00 0.03 -0.04 2.03 1.86 1lf3A1 PRO 255 HD2 0.10 0.02 0.16 -0.04 3.68 3.91 1lf3A1 PRO 255 HD3 -0.01 0.25 0.23 -0.04 3.65 4.07 1lf3A1 THR 256 H -0.01 0.23 0.13 -0.55 8.28 8.08 1lf3A1 THR 256 HA 0.26 0.19 0.95 -0.75 4.39 5.04 1lf3A1 THR 256 HB 0.06 -0.01 0.10 -0.04 4.32 4.43 1lf3A1 THR 256 HG23 0.16 0.05 -0.28 -0.04 1.22 1.11 1lf3A1 PHE 257 H 0.45 0.39 0.22 -0.55 8.34 8.84 1lf3A1 PHE 257 HA -0.12 0.15 0.59 -0.75 4.62 4.47 1lf3A1 PHE 257 HB2 0.05 -0.05 0.16 -0.04 3.15 3.28 1lf3A1 PHE 257 HB3 -0.59 -0.03 -0.03 -0.04 3.06 2.37 1lf3A1 PHE 257 HD2 -0.12 0.05 -0.03 -0.04 7.28 7.14 1lf3A1 PHE 257 HE2 -0.45 -0.01 -0.12 -0.04 7.38 6.77 1lf3A1 PHE 257 HZ -0.11 -0.00 -0.12 -0.04 7.32 7.04 1lf3A1 GLU 258 H -0.27 0.34 0.37 -0.55 8.60 8.50 1lf3A1 GLU 258 HA -0.02 0.17 0.98 -0.75 4.29 4.66 1lf3A1 GLU 258 HB2 0.11 -0.03 0.24 -0.04 2.09 2.36 1lf3A1 GLU 258 HB3 0.13 -0.06 -0.03 -0.04 1.99 1.99 1lf3A1 GLU 258 HG2 0.04 0.08 -0.30 -0.04 2.34 2.12 1lf3A1 GLU 258 HG3 0.02 0.18 -0.13 -0.04 2.34 2.37 1lf3A1 PHE 259 H 0.15 0.72 0.29 -0.55 8.34 8.94 1lf3A1 PHE 259 HA -0.10 0.52 1.08 -0.75 4.62 5.36 1lf3A1 PHE 259 HB2 0.17 -0.00 0.15 -0.04 3.15 3.42 1lf3A1 PHE 259 HB3 -0.02 -0.05 -0.05 -0.04 3.06 2.90 1lf3A1 PHE 259 HD2 -0.09 0.08 -0.21 -0.04 7.28 7.02 1lf3A1 PHE 259 HE2 -0.52 -0.01 -0.16 -0.04 7.38 6.64 1lf3A1 PHE 259 HZ -0.34 0.01 -0.13 -0.04 7.32 6.81 1lf3A1 THR 260 H 0.05 0.50 0.38 -0.55 8.28 8.66 1lf3A1 THR 260 HA 0.01 0.27 1.24 -0.75 4.39 5.16 1lf3A1 THR 260 HB 0.04 0.06 0.12 -0.04 4.32 4.50 1lf3A1 THR 260 HG23 0.16 0.03 -0.23 -0.04 1.22 1.14 1lf3A1 SER 261 H -0.00 0.71 0.36 -0.55 8.46 8.97 1lf3A1 SER 261 HA 0.04 0.18 0.92 -0.75 4.49 4.88 1lf3A1 SER 261 HB2 0.06 -0.03 0.30 -0.04 3.95 4.23 1lf3A1 SER 261 HB3 0.11 0.11 -0.01 -0.04 3.93 4.10 1lf3A1 GLU 262 H 0.03 0.15 0.24 -0.55 8.60 8.48 1lf3A1 GLU 262 HA 0.02 0.16 0.61 -0.75 4.29 4.33 1lf3A1 GLU 262 HB2 0.02 -0.02 0.20 -0.04 2.09 2.25 1lf3A1 GLU 262 HB3 0.02 0.04 0.06 -0.04 1.99 2.07 1lf3A1 GLU 262 HG2 0.01 0.00 0.05 -0.04 2.34 2.37 1lf3A1 GLU 262 HG3 0.01 0.03 0.09 -0.04 2.34 2.42 1lf3A1 ASN 263 H 0.03 -0.04 0.05 -0.55 8.53 8.03 1lf3A1 ASN 263 HA 0.01 0.28 0.94 -0.75 4.76 5.24 1lf3A1 ASN 263 HB2 0.06 -0.00 0.13 -0.04 2.88 3.02 1lf3A1 ASN 263 HB3 0.04 0.04 0.05 -0.04 2.79 2.88 1lf3A1 ASN 263 HD21 0.05 0.02 0.11 -0.04 7.03 7.18 1lf3A1 ASN 263 HD22 0.05 0.01 0.03 -0.04 7.74 7.79 1lf3A1 GLY 264 H -0.02 0.02 -0.11 -0.55 8.43 7.76 1lf3A1 GLY 264 HA2 -0.17 0.20 0.64 -0.51 4.01 4.16 1lf3A1 GLY 264 HA3 -0.26 0.05 0.21 -0.51 4.01 3.49 1lf3A1 LYS 265 H -0.47 0.29 0.13 -0.55 8.42 7.81 1lf3A1 LYS 265 HA -0.22 0.26 1.01 -0.75 4.32 4.61 1lf3A1 LYS 265 HB2 -0.09 -0.02 -0.09 -0.04 1.87 1.62 1lf3A1 LYS 265 HB3 -0.10 -0.01 0.11 -0.04 1.79 1.75 1lf3A1 LYS 265 HG2 0.01 -0.01 -0.18 -0.04 1.46 1.24 1lf3A1 LYS 265 HG3 0.01 0.07 -0.06 -0.04 1.46 1.44 1lf3A1 LYS 265 HD2 -0.00 -0.01 -0.06 -0.04 1.69 1.58 1lf3A1 LYS 265 HD3 -0.01 -0.02 -0.06 -0.04 1.68 1.55 1lf3A1 LYS 265 HE2 0.04 0.01 -0.11 -0.04 2.99 2.90 1lf3A1 LYS 265 HE3 0.00 -0.01 -0.07 -0.04 2.99 2.87 1lf3A1 TYR 266 H 0.03 0.90 0.34 -0.55 8.29 9.01 1lf3A1 TYR 266 HA 0.14 0.15 0.93 -0.75 4.56 5.03 1lf3A1 TYR 266 HB2 0.12 -0.04 -0.01 -0.04 3.06 3.09 1lf3A1 TYR 266 HB3 -0.65 0.06 -0.04 -0.04 2.98 2.31 1lf3A1 TYR 266 HD2 -0.15 0.06 -0.17 -0.04 7.15 6.84 1lf3A1 TYR 266 HE2 -0.05 0.01 -0.21 -0.04 6.85 6.56 1lf3A1 THR 267 H 0.43 0.22 0.16 -0.55 8.28 8.54 1lf3A1 THR 267 HA 0.28 0.28 1.03 -0.75 4.39 5.23 1lf3A1 THR 267 HB 0.16 0.09 -0.02 -0.04 4.32 4.51 1lf3A1 THR 267 HG23 0.11 -0.01 -0.18 -0.04 1.22 1.09 1lf3A1 LEU 268 H 0.32 0.43 0.14 -0.55 8.37 8.72 1lf3A1 LEU 268 HA 0.09 0.17 0.90 -0.75 4.35 4.77 1lf3A1 LEU 268 HB2 0.42 -0.02 -0.12 -0.04 1.64 1.87 1lf3A1 LEU 268 HB3 0.39 -0.07 0.11 -0.04 1.64 2.02 1lf3A1 LEU 268 HG 0.42 0.05 -0.14 -0.04 1.64 1.93 1lf3A1 LEU 268 HD13 0.03 0.07 -0.00 -0.04 0.93 0.98 1lf3A1 LEU 268 HD23 0.19 -0.01 -0.21 -0.04 0.89 0.82 1lf3A1 GLU 269 H 0.30 0.16 0.08 -0.55 8.60 8.59 1lf3A1 GLU 269 HA 0.30 0.20 0.69 -0.75 4.29 4.73 1lf3A1 GLU 269 HB2 0.43 -0.02 0.07 -0.04 2.09 2.52 1lf3A1 GLU 269 HB3 0.17 0.03 0.09 -0.04 1.99 2.24 1lf3A1 GLU 269 HG2 0.15 0.02 -0.00 -0.04 2.34 2.47 1lf3A1 GLU 269 HG3 0.16 0.05 -0.05 -0.04 2.34 2.46 1lf3A1 PRO 270 HA -1.26 0.06 0.35 -0.51 4.44 3.08 1lf3A1 PRO 270 HB2 -0.10 -0.01 0.04 -0.04 2.28 2.16 1lf3A1 PRO 270 HB3 -0.22 0.04 0.01 -0.04 2.02 1.81 1lf3A1 PRO 270 HG2 0.04 0.14 -0.06 -0.04 2.03 2.10 1lf3A1 PRO 270 HG3 0.14 0.27 -0.09 -0.04 2.03 2.30 1lf3A1 PRO 270 HD2 0.08 0.05 0.14 -0.04 3.68 3.91 1lf3A1 PRO 270 HD3 0.20 0.15 0.14 -0.04 3.65 4.09 1lf3A1 GLU 271 H -0.07 0.10 -0.26 -0.55 8.60 7.83 1lf3A1 GLU 271 HA -0.15 0.09 0.32 -0.75 4.29 3.79 1lf3A1 GLU 271 HB2 -0.24 0.04 0.10 -0.04 2.09 1.94 1lf3A1 GLU 271 HB3 -0.12 -0.01 0.07 -0.04 1.99 1.89 1lf3A1 GLU 271 HG2 -0.08 -0.08 -0.04 -0.04 2.34 2.10 1lf3A1 GLU 271 HG3 -0.79 0.07 -0.20 -0.04 2.34 1.38 1lf3A1 TYR 272 H 0.08 0.56 -0.55 -0.55 8.29 7.83 1lf3A1 TYR 272 HA 0.03 0.19 0.82 -0.75 4.56 4.84 1lf3A1 TYR 272 HB2 0.17 0.06 0.06 -0.04 3.06 3.30 1lf3A1 TYR 272 HB3 0.10 0.11 0.07 -0.04 2.98 3.21 1lf3A1 TYR 272 HD2 0.03 -0.00 0.04 -0.04 7.15 7.18 1lf3A1 TYR 272 HE2 -0.02 0.02 -0.01 -0.04 6.85 6.80 1lf3A1 TYR 273 H -0.04 0.26 -0.01 -0.55 8.29 7.95 1lf3A1 TYR 273 HA 0.10 0.26 0.99 -0.75 4.56 5.15 1lf3A1 TYR 273 HB2 0.09 -0.05 0.12 -0.04 3.06 3.18 1lf3A1 TYR 273 HB3 0.11 -0.03 -0.05 -0.04 2.98 2.97 1lf3A1 TYR 273 HD2 0.21 -0.08 -0.17 -0.04 7.15 7.07 1lf3A1 TYR 273 HE2 0.25 0.02 -0.15 -0.04 6.85 6.93 1lf3A1 LEU 274 H -0.07 0.25 -0.40 -0.55 8.37 7.60 1lf3A1 LEU 274 HA 0.01 0.09 1.00 -0.75 4.35 4.70 1lf3A1 LEU 274 HB2 -0.14 0.08 0.02 -0.04 1.64 1.55 1lf3A1 LEU 274 HB3 -0.12 -0.05 -0.17 -0.04 1.64 1.26 1lf3A1 LEU 274 HG -0.33 0.05 -0.15 -0.04 1.64 1.16 1lf3A1 LEU 274 HD13 -0.12 -0.01 -0.13 -0.04 0.93 0.62 1lf3A1 LEU 274 HD23 -0.00 -0.00 -0.19 -0.04 0.89 0.66 1lf3A1 GLN 275 HE21 0.00 -0.02 0.02 -0.04 6.97 6.93 1lf3A1 GLN 275 HE22 -0.06 -0.02 0.05 -0.04 7.69 7.62 1lf3A1 GLN 275 H 0.03 0.46 0.13 -0.55 8.47 8.54 1lf3A1 GLN 275 HA 0.03 0.10 0.61 -0.75 4.36 4.35 1lf3A1 GLN 275 HB2 0.05 0.30 0.24 -0.04 2.15 2.69 1lf3A1 GLN 275 HB3 0.03 -0.04 0.02 -0.04 2.02 1.99 1lf3A1 GLN 275 HG2 0.03 0.04 0.04 -0.04 2.40 2.47 1lf3A1 GLN 275 HG3 0.04 -0.00 0.04 -0.04 2.39 2.43 1lf3A1 HIS 276 H 0.11 0.16 0.21 -0.55 8.41 8.35 1lf3A1 HIS 276 HA -0.01 0.16 0.90 -0.75 4.63 4.93 1lf3A1 HIS 276 HB2 -0.03 0.07 0.18 -0.04 3.26 3.44 1lf3A1 HIS 276 HB3 -0.02 -0.11 0.05 -0.04 3.20 3.09 1lf3A1 HIS 276 HD2 -0.04 0.17 -0.06 -0.04 6.97 6.99 1lf3A1 HIS 276 HE1 -0.02 -0.05 0.01 -0.04 7.75 7.65 1lf3A1 ILE 277 H -0.00 0.48 0.35 -0.55 8.25 8.53 1lf3A1 ILE 277 HA 0.05 0.08 0.48 -0.75 4.18 4.04 1lf3A1 ILE 277 HB 0.03 -0.05 0.10 -0.04 1.89 1.93 1lf3A1 ILE 277 HG12 -0.02 -0.05 -0.38 -0.04 1.49 1.00 1lf3A1 ILE 277 HG13 0.00 -0.05 -0.56 -0.04 1.21 0.56 1lf3A1 ILE 277 HG23 0.03 0.05 -0.18 -0.04 0.93 0.79 1lf3A1 ILE 277 HD13 0.02 0.03 -0.33 -0.04 0.88 0.56 1lf3A1 GLU 278 H 0.16 0.16 0.24 -0.55 8.60 8.62 1lf3A1 GLU 278 HA 0.05 0.27 0.71 -0.75 4.29 4.56 1lf3A1 GLU 278 HB2 0.25 0.06 0.27 -0.04 2.09 2.63 1lf3A1 GLU 278 HB3 0.12 0.09 0.09 -0.04 1.99 2.25 1lf3A1 GLU 278 HG2 0.06 -0.79 0.43 -0.04 2.34 2.00 1lf3A1 GLU 278 HG3 0.10 0.14 0.14 -0.04 2.34 2.67 1lf3A1 ASP 279 H 0.05 0.10 -0.32 -0.55 8.40 7.68 1lf3A1 ASP 279 HA 0.03 0.10 0.36 -0.75 4.63 4.36 1lf3A1 ASP 279 HB2 0.02 0.05 0.09 -0.04 2.71 2.83 1lf3A1 ASP 279 HB3 0.02 -0.01 0.05 -0.04 2.70 2.72 1lf3A1 VAL 280 H 0.04 0.18 -0.88 -0.55 8.24 7.03 1lf3A1 VAL 280 HA 0.04 0.16 0.79 -0.75 4.13 4.37 1lf3A1 VAL 280 HB 0.05 0.17 0.01 -0.04 2.12 2.31 1lf3A1 VAL 280 HG13 0.09 -0.02 0.01 -0.04 0.97 1.01 1lf3A1 VAL 280 HG23 0.04 -0.04 -0.17 -0.04 0.95 0.75 1lf3A1 GLY 281 H 0.04 0.12 -0.11 -0.55 8.43 7.92 1lf3A1 GLY 281 HA2 0.03 0.11 0.40 -0.51 4.01 4.04 1lf3A1 GLY 281 HA3 0.03 0.02 0.28 -0.51 4.01 3.84 1lf3A1 PRO 282 HA 0.03 -0.01 0.44 -0.51 4.44 4.39 1lf3A1 PRO 282 HB2 0.02 0.02 0.19 -0.04 2.28 2.47 1lf3A1 PRO 282 HB3 0.02 0.03 0.11 -0.04 2.02 2.14 1lf3A1 PRO 282 HG2 0.02 0.04 0.08 -0.04 2.03 2.13 1lf3A1 PRO 282 HG3 0.02 0.05 0.09 -0.04 2.03 2.15 1lf3A1 PRO 282 HD2 0.02 0.11 0.13 -0.04 3.68 3.90 1lf3A1 PRO 282 HD3 0.02 0.17 0.12 -0.04 3.65 3.93 1lf3A1 GLY 283 H 0.05 0.05 0.45 -0.55 8.43 8.44 1lf3A1 GLY 283 HA2 0.04 0.01 0.39 -0.51 4.01 3.93 1lf3A1 GLY 283 HA3 0.01 0.13 0.79 -0.51 4.01 4.43 1lf3A1 LEU 284 H 0.01 0.17 0.32 -0.55 8.37 8.32 1lf3A1 LEU 284 HA -0.03 0.13 0.76 -0.75 4.35 4.46 1lf3A1 LEU 284 HB2 0.02 -0.05 -0.09 -0.04 1.64 1.48 1lf3A1 LEU 284 HB3 0.02 -0.01 0.04 -0.04 1.64 1.65 1lf3A1 LEU 284 HG 0.00 -0.02 -0.42 -0.04 1.64 1.16 1lf3A1 LEU 284 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 1lf3A1 LEU 284 HD23 0.05 0.06 -0.24 -0.04 0.89 0.72 1lf3A1 CYS 285 H -0.05 0.69 0.33 -0.55 8.50 8.92 1lf3A1 CYS 285 HA -0.11 0.07 0.93 -0.75 4.58 4.72 1lf3A1 CYS 285 HB2 -0.14 0.04 -0.05 -0.04 2.97 2.78 1lf3A1 CYS 285 HB3 -0.13 0.08 -0.06 -0.04 2.97 2.82 1lf3A1 MET 286 H -0.02 0.81 0.17 -0.55 8.47 8.88 1lf3A1 MET 286 HA 0.06 0.20 1.00 -0.75 4.52 5.02 1lf3A1 MET 286 HB2 0.04 -0.04 -0.05 -0.04 2.15 2.06 1lf3A1 MET 286 HB3 0.04 -0.08 0.13 -0.04 2.03 2.07 1lf3A1 MET 286 HG2 0.08 -0.05 -0.01 -0.04 2.63 2.61 1lf3A1 MET 286 HG3 0.10 0.04 -0.25 -0.04 2.56 2.41 1lf3A1 MET 286 HE3 0.05 -0.05 -0.02 -0.04 2.10 2.04 1lf3A1 LEU 287 H 0.11 0.25 0.13 -0.55 8.37 8.30 1lf3A1 LEU 287 HA 0.18 0.03 0.40 -0.75 4.35 4.21 1lf3A1 LEU 287 HB2 0.15 -0.00 -0.03 -0.04 1.64 1.72 1lf3A1 LEU 287 HB3 0.20 -0.04 0.19 -0.04 1.64 1.95 1lf3A1 LEU 287 HG 0.20 -0.03 -0.08 -0.04 1.64 1.68 1lf3A1 LEU 287 HD13 0.27 0.01 -0.08 -0.04 0.93 1.09 1lf3A1 LEU 287 HD23 0.02 0.00 -0.05 -0.04 0.89 0.82 1lf3A1 ASN 288 H 0.22 0.67 0.43 -0.55 8.53 9.31 1lf3A1 ASN 288 HA 0.08 0.10 0.69 -0.75 4.76 4.89 1lf3A1 ASN 288 HB2 0.12 0.03 0.13 -0.04 2.88 3.12 1lf3A1 ASN 288 HB3 0.15 -0.07 0.32 -0.04 2.79 3.14 1lf3A1 ASN 288 HD21 0.06 0.04 0.05 -0.04 7.03 7.14 1lf3A1 ASN 288 HD22 0.07 -0.00 0.02 -0.04 7.74 7.79 1lf3A1 ILE 289 H 0.06 0.40 -0.44 -0.55 8.25 7.72 1lf3A1 ILE 289 HA -0.00 0.23 1.05 -0.75 4.18 4.70 1lf3A1 ILE 289 HB 0.06 -0.03 0.01 -0.04 1.89 1.89 1lf3A1 ILE 289 HG12 -0.12 0.03 -0.10 -0.04 1.49 1.26 1lf3A1 ILE 289 HG13 0.10 -0.07 -0.49 -0.04 1.21 0.71 1lf3A1 ILE 289 HG23 0.06 -0.01 -0.25 -0.04 0.93 0.69 1lf3A1 ILE 289 HD13 -0.13 -0.00 -0.11 -0.04 0.88 0.59 1lf3A1 ILE 290 H -0.04 0.54 0.28 -0.55 8.25 8.47 1lf3A1 ILE 290 HA -0.37 0.14 0.85 -0.75 4.18 4.05 1lf3A1 ILE 290 HB -0.02 -0.03 0.01 -0.04 1.89 1.81 1lf3A1 ILE 290 HG12 -0.22 0.03 -0.04 -0.04 1.49 1.22 1lf3A1 ILE 290 HG13 -0.09 -0.00 -0.19 -0.04 1.21 0.88 1lf3A1 ILE 290 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 1lf3A1 ILE 290 HD13 0.11 -0.01 -0.08 -0.04 0.88 0.86 1lf3A1 GLY 291 H -0.06 0.15 0.19 -0.55 8.43 8.17 1lf3A1 GLY 291 HA2 0.01 0.28 0.77 -0.51 4.01 4.56 1lf3A1 GLY 291 HA3 0.04 -0.05 0.31 -0.51 4.01 3.81 1lf3A1 LEU 292 H -0.01 0.87 0.33 -0.55 8.37 9.01 1lf3A1 LEU 292 HA -0.03 0.07 0.66 -0.75 4.35 4.29 1lf3A1 LEU 292 HB2 0.01 0.07 -0.32 -0.04 1.64 1.36 1lf3A1 LEU 292 HB3 0.09 -0.02 -0.07 -0.04 1.64 1.59 1lf3A1 LEU 292 HG -0.44 0.02 -0.31 -0.04 1.64 0.87 1lf3A1 LEU 292 HD13 -0.16 -0.01 0.05 -0.04 0.93 0.76 1lf3A1 LEU 292 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 1lf3A1 ASP 293 H -0.10 0.21 0.15 -0.55 8.40 8.11 1lf3A1 ASP 293 HA 0.06 0.16 1.10 -0.75 4.63 5.20 1lf3A1 ASP 293 HB2 -0.04 0.03 0.10 -0.04 2.71 2.77 1lf3A1 ASP 293 HB3 0.00 0.15 0.01 -0.04 2.70 2.82 1lf3A1 PHE 294 H 0.25 0.16 0.13 -0.55 8.34 8.33 1lf3A1 PHE 294 HA -0.03 0.18 0.76 -0.75 4.62 4.77 1lf3A1 PHE 294 HB2 -0.06 0.19 0.04 -0.04 3.15 3.28 1lf3A1 PHE 294 HB3 -0.05 -0.02 0.09 -0.04 3.06 3.04 1lf3A1 PHE 294 HD2 -0.08 -0.00 -0.10 -0.04 7.28 7.05 1lf3A1 PHE 294 HE2 -0.11 0.00 -0.17 -0.04 7.38 7.07 1lf3A1 PHE 294 HZ -0.08 -0.04 -0.15 -0.04 7.32 7.01 1lf3A1 PRO 295 HA 0.04 0.04 0.37 -0.51 4.44 4.38 1lf3A1 PRO 295 HB2 0.04 -0.00 0.06 -0.04 2.28 2.35 1lf3A1 PRO 295 HB3 0.03 0.03 0.07 -0.04 2.02 2.11 1lf3A1 PRO 295 HG2 0.04 0.04 0.07 -0.04 2.03 2.15 1lf3A1 PRO 295 HG3 0.03 0.04 0.08 -0.04 2.03 2.14 1lf3A1 PRO 295 HD2 0.18 0.09 0.17 -0.04 3.68 4.09 1lf3A1 PRO 295 HD3 0.06 0.14 0.19 -0.04 3.65 4.00 1lf3A1 VAL 296 H 0.07 0.10 -0.26 -0.55 8.24 7.60 1lf3A1 VAL 296 HA 0.03 0.22 0.89 -0.75 4.13 4.51 1lf3A1 VAL 296 HB 0.01 0.09 0.05 -0.04 2.12 2.23 1lf3A1 VAL 296 HG13 0.02 -0.01 -0.13 -0.04 0.97 0.81 1lf3A1 VAL 296 HG23 -0.01 -0.01 -0.12 -0.04 0.95 0.77 1lf3A1 PRO 297 HA -0.04 -0.06 0.43 -0.51 4.44 4.26 1lf3A1 PRO 297 HB2 0.03 0.05 0.17 -0.04 2.28 2.48 1lf3A1 PRO 297 HB3 0.00 -0.01 0.10 -0.04 2.02 2.07 1lf3A1 PRO 297 HG2 0.04 0.07 0.12 -0.04 2.03 2.22 1lf3A1 PRO 297 HG3 0.02 0.00 0.13 -0.04 2.03 2.15 1lf3A1 PRO 297 HD2 0.02 0.14 0.20 -0.04 3.68 3.99 1lf3A1 PRO 297 HD3 0.02 0.17 0.26 -0.04 3.65 4.06 1lf3A1 THR 298 H -0.12 0.10 0.26 -0.55 8.28 7.97 1lf3A1 THR 298 HA -0.15 0.28 1.10 -0.75 4.39 4.86 1lf3A1 THR 298 HB -0.79 -0.12 0.07 -0.04 4.32 3.44 1lf3A1 THR 298 HG23 -0.85 0.00 -0.25 -0.04 1.22 0.08 1lf3A1 PHE 299 H 0.02 0.65 0.29 -0.55 8.34 8.74 1lf3A1 PHE 299 HA -0.15 0.24 0.78 -0.75 4.62 4.74 1lf3A1 PHE 299 HB2 -0.21 -0.04 0.03 -0.04 3.15 2.90 1lf3A1 PHE 299 HB3 -0.21 0.03 -0.08 -0.04 3.06 2.77 1lf3A1 PHE 299 HD2 -0.12 0.07 -0.09 -0.04 7.28 7.09 1lf3A1 PHE 299 HE2 -0.30 -0.00 -0.09 -0.04 7.38 6.95 1lf3A1 PHE 299 HZ -1.77 -0.03 -0.10 -0.04 7.32 5.38 1lf3A1 ILE 300 H -0.03 0.25 0.18 -0.55 8.25 8.11 1lf3A1 ILE 300 HA -0.13 0.20 1.07 -0.75 4.18 4.57 1lf3A1 ILE 300 HB 0.01 -0.11 0.21 -0.04 1.89 1.96 1lf3A1 ILE 300 HG12 -0.12 0.01 -0.10 -0.04 1.49 1.24 1lf3A1 ILE 300 HG13 -0.02 0.02 -0.19 -0.04 1.21 0.98 1lf3A1 ILE 300 HG23 -0.01 0.00 -0.22 -0.04 0.93 0.67 1lf3A1 ILE 300 HD13 0.20 -0.01 -0.09 -0.04 0.88 0.94 1lf3A1 LEU 301 H -0.21 0.62 0.19 -0.55 8.37 8.42 1lf3A1 LEU 301 HA -0.22 0.05 0.68 -0.75 4.35 4.11 1lf3A1 LEU 301 HB2 -0.50 -0.03 0.14 -0.04 1.64 1.22 1lf3A1 LEU 301 HB3 -0.96 0.03 0.02 -0.04 1.64 0.69 1lf3A1 LEU 301 HG -0.51 0.00 -0.13 -0.04 1.64 0.96 1lf3A1 LEU 301 HD13 -1.39 0.00 -0.15 -0.04 0.93 -0.65 1lf3A1 LEU 301 HD23 -0.67 0.00 -0.21 -0.04 0.89 -0.03 1lf3A1 GLY 302 H -0.02 0.29 0.27 -0.55 8.43 8.42 1lf3A1 GLY 302 HA2 0.03 0.28 0.68 -0.51 4.01 4.49 1lf3A1 GLY 302 HA3 0.03 0.33 0.47 -0.51 4.01 4.33 1lf3A1 ASP 303 H 0.05 0.57 0.21 -0.55 8.40 8.68 1lf3A1 ASP 303 HA 0.06 -0.06 0.29 -0.75 4.63 4.17 1lf3A1 ASP 303 HB2 0.07 0.20 0.08 -0.04 2.71 3.01 1lf3A1 ASP 303 HB3 0.07 -0.03 -0.04 -0.04 2.70 2.67 1lf3A1 PRO 304 HA 0.13 0.16 0.41 -0.51 4.44 4.63 1lf3A1 PRO 304 HB2 0.14 -0.10 -0.09 -0.04 2.28 2.19 1lf3A1 PRO 304 HB3 0.18 0.15 0.03 -0.04 2.02 2.34 1lf3A1 PRO 304 HG2 0.09 -0.09 0.05 -0.04 2.03 2.03 1lf3A1 PRO 304 HG3 0.10 0.18 0.16 -0.04 2.03 2.43 1lf3A1 PRO 304 HD2 0.08 -0.03 -0.52 -0.04 3.68 3.16 1lf3A1 PRO 304 HD3 0.07 0.27 -0.18 -0.04 3.65 3.76 1lf3A1 PHE 305 H 0.21 0.38 -0.40 -0.55 8.34 7.98 1lf3A1 PHE 305 HA 0.07 0.06 0.54 -0.75 4.62 4.54 1lf3A1 PHE 305 HB2 -0.07 -0.08 -0.03 -0.04 3.15 2.93 1lf3A1 PHE 305 HB3 -0.06 0.19 -0.06 -0.04 3.06 3.08 1lf3A1 PHE 305 HD2 -0.08 0.03 -0.25 -0.04 7.28 6.94 1lf3A1 PHE 305 HE2 -0.33 -0.00 -0.19 -0.04 7.38 6.82 1lf3A1 PHE 305 HZ -0.86 -0.03 -0.16 -0.04 7.32 6.23 1lf3A1 MET 306 H 0.19 0.43 -0.06 -0.55 8.47 8.48 1lf3A1 MET 306 HA 0.07 0.19 0.41 -0.75 4.52 4.43 1lf3A1 MET 306 HB2 0.03 -0.00 -0.05 -0.04 2.15 2.09 1lf3A1 MET 306 HB3 0.01 -0.07 0.05 -0.04 2.03 1.98 1lf3A1 MET 306 HG2 0.18 -0.01 -0.10 -0.04 2.63 2.66 1lf3A1 MET 306 HG3 0.17 0.15 -0.17 -0.04 2.56 2.68 1lf3A1 MET 306 HE3 0.01 -0.01 -0.07 -0.04 2.10 2.00 1lf3A1 ARG 307 H 0.03 0.31 -0.66 -0.55 8.46 7.59 1lf3A1 ARG 307 HA -0.07 0.05 0.51 -0.75 4.34 4.08 1lf3A1 ARG 307 HB2 0.04 0.23 0.04 -0.04 1.90 2.17 1lf3A1 ARG 307 HB3 0.08 0.02 -0.02 -0.04 1.80 1.84 1lf3A1 ARG 307 HG2 -0.01 -0.06 -0.01 -0.04 1.67 1.55 1lf3A1 ARG 307 HG3 -0.08 0.10 -0.00 -0.04 1.67 1.65 1lf3A1 ARG 307 HD2 -0.03 -0.12 0.04 -0.04 3.22 3.07 1lf3A1 ARG 307 HD3 -0.01 -0.06 -0.08 -0.04 3.22 3.03 1lf3A1 LYS 308 H -0.09 0.22 -0.12 -0.55 8.42 7.87 1lf3A1 LYS 308 HA -0.10 0.13 0.65 -0.75 4.32 4.24 1lf3A1 LYS 308 HB2 -0.71 -0.03 0.14 -0.04 1.87 1.23 1lf3A1 LYS 308 HB3 -0.48 0.06 0.20 -0.04 1.79 1.54 1lf3A1 LYS 308 HG2 -1.12 -0.04 -0.23 -0.04 1.46 0.03 1lf3A1 LYS 308 HG3 -0.65 -0.02 0.10 -0.04 1.46 0.85 1lf3A1 LYS 308 HD2 -1.52 -0.12 0.11 -0.04 1.69 0.11 1lf3A1 LYS 308 HD3 -0.61 0.08 0.12 -0.04 1.68 1.23 1lf3A1 LYS 308 HE2 -0.75 -0.06 0.06 -0.04 2.99 2.20 1lf3A1 LYS 308 HE3 -0.45 -0.04 0.05 -0.04 2.99 2.51 1lf3A1 TYR 309 H -0.19 0.57 0.09 -0.55 8.29 8.20 1lf3A1 TYR 309 HA -0.09 -0.02 1.24 -0.75 4.56 4.95 1lf3A1 TYR 309 HB2 -0.78 0.03 0.04 -0.04 3.06 2.31 1lf3A1 TYR 309 HB3 -0.28 0.03 -0.04 -0.04 2.98 2.65 1lf3A1 TYR 309 HD2 -0.62 0.08 -0.18 -0.04 7.15 6.39 1lf3A1 TYR 309 HE2 -0.04 0.06 -0.07 -0.04 6.85 6.76 1lf3A1 PHE 310 H 0.28 0.30 0.29 -0.55 8.34 8.66 1lf3A1 PHE 310 HA 0.08 0.18 0.63 -0.75 4.62 4.76 1lf3A1 PHE 310 HB2 0.24 0.08 0.00 -0.04 3.15 3.43 1lf3A1 PHE 310 HB3 0.10 -0.06 -0.07 -0.04 3.06 2.98 1lf3A1 PHE 310 HD2 -0.00 0.04 -0.12 -0.04 7.28 7.15 1lf3A1 PHE 310 HE2 0.02 -0.06 -0.22 -0.04 7.38 7.07 1lf3A1 PHE 310 HZ 0.27 -0.15 -0.08 -0.04 7.32 7.31 1lf3A1 THR 311 H -0.48 0.38 0.37 -0.55 8.28 8.00 1lf3A1 THR 311 HA -0.50 0.41 1.18 -0.75 4.39 4.73 1lf3A1 THR 311 HB -0.74 -0.02 0.00 -0.04 4.32 3.53 1lf3A1 THR 311 HG23 -0.08 0.06 -0.25 -0.04 1.22 0.90 1lf3A1 VAL 312 H -0.73 0.68 0.36 -0.55 8.24 8.00 1lf3A1 VAL 312 HA -0.54 0.18 1.04 -0.75 4.13 4.06 1lf3A1 VAL 312 HB -0.36 -0.00 -0.13 -0.04 2.12 1.58 1lf3A1 VAL 312 HG13 -0.54 -0.00 -0.00 -0.04 0.97 0.39 1lf3A1 VAL 312 HG23 -0.18 -0.00 -0.27 -0.04 0.95 0.46 1lf3A1 PHE 313 H -0.64 0.71 0.38 -0.55 8.34 8.24 1lf3A1 PHE 313 HA -0.79 0.19 0.96 -0.75 4.62 4.23 1lf3A1 PHE 313 HB2 -2.60 -0.03 0.21 -0.04 3.15 0.68 1lf3A1 PHE 313 HB3 -3.09 0.01 0.04 -0.04 3.06 -0.02 1lf3A1 PHE 313 HD2 -1.48 0.07 -0.02 -0.04 7.28 5.80 1lf3A1 PHE 313 HE2 -0.08 0.04 -0.07 -0.04 7.38 7.23 1lf3A1 PHE 313 HZ -0.07 0.01 -0.12 -0.04 7.32 7.10 1lf3A1 ASP 314 H 0.06 0.68 0.27 -0.55 8.40 8.86 1lf3A1 ASP 314 HA -0.02 0.18 1.12 -0.75 4.63 5.16 1lf3A1 ASP 314 HB2 0.14 0.07 -0.16 -0.04 2.71 2.72 1lf3A1 ASP 314 HB3 0.24 -0.03 -0.01 -0.04 2.70 2.85 1lf3A1 TYR 315 H 0.17 0.75 0.34 -0.55 8.29 9.00 1lf3A1 TYR 315 HA -0.03 0.09 0.52 -0.75 4.56 4.39 1lf3A1 TYR 315 HB2 -0.01 0.12 0.18 -0.04 3.06 3.31 1lf3A1 TYR 315 HB3 -0.15 -0.02 0.04 -0.04 2.98 2.81 1lf3A1 TYR 315 HD2 -1.05 0.03 -0.13 -0.04 7.15 5.96 1lf3A1 TYR 315 HE2 -0.58 -0.01 -0.11 -0.04 6.85 6.11 1lf3A1 ASP 316 H 0.23 0.11 -0.01 -0.55 8.40 8.19 1lf3A1 ASP 316 HA 0.24 0.15 0.56 -0.75 4.63 4.82 1lf3A1 ASP 316 HB2 0.14 -0.07 0.10 -0.04 2.71 2.84 1lf3A1 ASP 316 HB3 0.12 0.09 0.02 -0.04 2.70 2.89 1lf3A1 ASN 317 H 0.21 0.01 -0.20 -0.55 8.53 8.01 1lf3A1 ASN 317 HA 0.17 0.23 0.63 -0.75 4.76 5.03 1lf3A1 ASN 317 HB2 0.12 -0.03 -0.04 -0.04 2.88 2.89 1lf3A1 ASN 317 HB3 0.06 0.05 0.07 -0.04 2.79 2.92 1lf3A1 ASN 317 HD21 0.01 0.00 -0.08 -0.04 7.03 6.92 1lf3A1 ASN 317 HD22 0.02 0.05 -0.05 -0.04 7.74 7.71 1lf3A1 HIS 318 H 0.61 0.18 -0.84 -0.55 8.41 7.81 1lf3A1 HIS 318 HA 0.51 0.11 0.37 -0.75 4.63 4.86 1lf3A1 HIS 318 HB2 0.07 0.02 -0.04 -0.04 3.26 3.27 1lf3A1 HIS 318 HB3 -0.02 -0.08 0.13 -0.04 3.20 3.19 1lf3A1 HIS 318 HD2 0.26 0.13 -0.20 -0.04 6.97 7.12 1lf3A1 HIS 318 HE1 0.06 -0.06 0.04 -0.04 7.75 7.74 1lf3A1 SER 319 H 0.41 0.31 0.09 -0.55 8.46 8.72 1lf3A1 SER 319 HA 0.23 0.00 0.62 -0.75 4.49 4.59 1lf3A1 SER 319 HB2 0.21 0.24 -0.00 -0.04 3.95 4.35 1lf3A1 SER 319 HB3 0.19 0.15 -0.13 -0.04 3.93 4.10 1lf3A1 VAL 320 H 0.04 0.65 0.28 -0.55 8.24 8.66 1lf3A1 VAL 320 HA -0.37 0.28 1.14 -0.75 4.13 4.42 1lf3A1 VAL 320 HB -0.15 -0.04 0.07 -0.04 2.12 1.96 1lf3A1 VAL 320 HG13 -0.60 0.02 -0.11 -0.04 0.97 0.25 1lf3A1 VAL 320 HG23 0.19 -0.01 -0.14 -0.04 0.95 0.95 1lf3A1 GLY 321 H -0.64 0.64 0.34 -0.55 8.43 8.23 1lf3A1 GLY 321 HA2 -0.74 0.22 1.07 -0.51 4.01 4.05 1lf3A1 GLY 321 HA3 -1.11 -0.06 0.29 -0.51 4.01 2.62 1lf3A1 ILE 322 H -0.29 0.84 0.29 -0.55 8.25 8.54 1lf3A1 ILE 322 HA -0.25 0.38 1.09 -0.75 4.18 4.65 1lf3A1 ILE 322 HB -0.35 -0.10 -0.05 -0.04 1.89 1.35 1lf3A1 ILE 322 HG12 -0.31 0.09 -0.26 -0.04 1.49 0.97 1lf3A1 ILE 322 HG13 -0.37 -0.08 -0.65 -0.04 1.21 0.08 1lf3A1 ILE 322 HG23 -0.43 0.02 -0.14 -0.04 0.93 0.33 1lf3A1 ILE 322 HD13 -0.61 -0.02 -0.20 -0.04 0.88 0.01 1lf3A1 ALA 323 H 0.08 0.66 0.30 -0.55 8.40 8.90 1lf3A1 ALA 323 HA 0.18 0.20 0.75 -0.75 4.34 4.70 1lf3A1 ALA 323 HB3 -0.01 -0.01 -0.13 -0.04 1.41 1.23 1lf3A1 LEU 324 H 0.22 0.34 0.23 -0.55 8.37 8.61 1lf3A1 LEU 324 HA -0.07 0.09 0.63 -0.75 4.35 4.24 1lf3A1 LEU 324 HB2 0.12 -0.07 0.24 -0.04 1.64 1.89 1lf3A1 LEU 324 HB3 0.10 0.19 0.31 -0.04 1.64 2.20 1lf3A1 LEU 324 HG 0.02 -0.09 0.03 -0.04 1.64 1.56 1lf3A1 LEU 324 HD13 0.00 0.04 -0.18 -0.04 0.93 0.76 1lf3A1 LEU 324 HD23 -0.20 0.02 0.07 -0.04 0.89 0.73 1lf3A1 ALA 325 H -0.01 0.35 0.53 -0.55 8.40 8.73 1lf3A1 ALA 325 HA 0.26 -0.00 0.56 -0.75 4.34 4.40 1lf3A1 ALA 325 HB3 0.16 0.05 -0.08 -0.04 1.41 1.50 1lf3A1 LYS 326 H 0.21 0.73 0.38 -0.55 8.42 9.18 1lf3A1 LYS 326 HA 0.07 -0.01 0.40 -0.75 4.32 4.04 1lf3A1 LYS 326 HB2 0.06 0.16 0.09 -0.04 1.87 2.15 1lf3A1 LYS 326 HB3 0.04 -0.44 0.05 -0.04 1.79 1.40 1lf3A1 LYS 326 HG2 -0.02 -0.05 -0.11 -0.04 1.46 1.24 1lf3A1 LYS 326 HG3 -0.05 0.11 -0.41 -0.04 1.46 1.07 1lf3A1 LYS 326 HD2 -0.13 0.36 0.07 -0.04 1.69 1.95 1lf3A1 LYS 326 HD3 -0.06 -0.26 0.02 -0.04 1.68 1.35 1lf3A1 LYS 326 HE2 -0.09 -0.07 -0.01 -0.04 2.99 2.77 1lf3A1 LYS 326 HE3 -0.19 0.29 0.04 -0.04 2.99 3.10 1lf3A1 LYS 327 H 0.08 0.05 0.18 -0.55 8.42 8.17 1lf3A1 LYS 327 HA 0.17 0.25 0.52 -0.75 4.32 4.51 1lf3A1 LYS 327 HB2 0.07 -0.09 0.15 -0.04 1.87 1.95 1lf3A1 LYS 327 HB3 0.09 0.00 0.02 -0.04 1.79 1.86 1lf3A1 LYS 327 HG2 0.06 -0.06 0.04 -0.04 1.46 1.46 1lf3A1 LYS 327 HG3 0.09 0.03 0.05 -0.04 1.46 1.59 1lf3A1 LYS 327 HD2 0.10 0.09 -0.29 -0.04 1.69 1.55 1lf3A1 LYS 327 HD3 0.06 -0.07 0.03 -0.04 1.68 1.66 1lf3A1 LYS 327 HE2 0.11 -0.11 0.01 -0.04 2.99 2.96 1lf3A1 LYS 327 HE3 0.14 -0.00 0.00 -0.04 2.99 3.08 1lf3A1 ASN 328 H 0.07 -0.14 -0.09 -0.55 8.53 7.82 1lf3A1 ASN 328 HA 0.02 0.25 0.57 -0.75 4.76 4.84 1lf3A1 ASN 328 HB2 0.07 -0.09 -0.26 -0.04 2.88 2.55 1lf3A1 ASN 328 HB3 0.04 -0.01 0.02 -0.04 2.79 2.80 1lf3A1 ASN 328 HD21 0.10 0.02 0.02 -0.04 7.03 7.13 1lf3A1 ASN 328 HD22 0.08 -0.08 -0.09 -0.04 7.74 7.62 1lf3A1 LEU 329 H 0.02 -0.00 -0.12 -0.55 8.37 7.73 1lf3A1 LEU 329 HA -0.10 0.24 0.21 -0.75 4.35 3.95 1lf3A1 LEU 329 HB2 -0.03 0.37 0.26 -0.04 1.64 2.19 1lf3A1 LEU 329 HB3 -0.09 -0.07 0.08 -0.04 1.64 1.52 1lf3A1 LEU 329 HG -0.07 0.01 -0.42 -0.04 1.64 1.12 1lf3A1 LEU 329 HD13 0.07 -0.01 -0.09 -0.04 0.93 0.85 1lf3A1 LEU 329 HD23 -0.39 -0.00 -0.08 -0.04 0.89 0.38