============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 8 0.840 15.713 3.360 17.417 -99.200 -91.000 TRP 9 1.040 5.954 6.852 16.779 -99.200 -91.000 TRP6 9 1.020 5.233 7.265 18.996 -99.200 -91.000 PHE 13 1.000 2.705 17.239 21.811 -99.200 -91.000 TYR 27 0.840 7.900 2.351 9.026 -99.200 -91.000 TYR 29 0.840 11.652 -6.493 13.727 -99.200 -91.000 PHE 34 1.000 15.701 6.547 22.275 -99.200 -91.000 PHE 38 1.000 18.621 2.981 32.247 -99.200 -91.000 HIS 51 0.900 4.341 11.372 20.788 -99.200 -91.000 HIS 62 0.900 -4.465 -0.432 14.105 -99.200 -91.000 TYR 81 0.840 21.514 6.145 28.736 -99.200 -91.000 TYR 95 0.840 10.121 0.168 35.519 -99.200 -91.000 PHE 97 1.000 9.521 -11.230 33.345 -99.200 -91.000 PHE 100 1.000 7.678 -0.618 30.254 -99.200 -91.000 HIS 106 0.900 -7.029 -8.134 38.338 -99.200 -91.000 PHE 112 1.000 4.785 2.591 26.732 -99.200 -91.000 PHE 122 1.000 20.035 -4.457 26.693 -99.200 -91.000 HIS 123 0.900 19.867 4.317 20.297 -99.200 -91.000 HIS 126 0.900 25.262 8.051 28.781 -99.200 -91.000 TYR 132 0.840 24.034 -0.706 30.156 -99.200 -91.000 PHE 142 1.000 13.181 -11.903 34.612 -99.200 -91.000 PHE 149 1.000 11.766 -10.866 27.017 -99.200 -91.000 TYR 159 0.840 33.150 -6.123 15.947 -99.200 -91.000 PHE 173 1.000 22.094 -7.328 22.733 -99.200 -91.000 TRP 177 1.040 18.063 -1.966 15.755 -99.200 -91.000 TRP6 177 1.020 16.362 -3.548 15.302 -99.200 -91.000 PHE 180 1.000 26.678 0.291 9.092 -99.200 -91.000 TYR 181 0.840 22.393 6.798 12.549 -99.200 -91.000 TYR 188 0.840 27.306 8.005 0.592 -99.200 -91.000 TRP 200 1.040 27.628 -5.320 4.954 -99.200 -91.000 TRP6 200 1.020 25.849 -6.038 6.331 -99.200 -91.000 TRP 203 1.040 29.675 -3.193 12.929 -99.200 -91.000 TRP6 203 1.020 29.003 -3.627 15.153 -99.200 -91.000 PHE 213 1.000 16.907 -5.854 10.871 -99.200 -91.000 PHE 216 1.000 22.097 2.927 5.340 -99.200 -91.000 HIS 219 0.900 15.442 15.716 5.694 -99.200 -91.000 TYR 227 0.840 19.831 11.397 2.924 -99.200 -91.000 PHE 235 1.000 24.538 0.862 -9.068 -99.200 -91.000 HIS 236 0.900 27.764 2.995 -3.540 -99.200 -91.000 PHE 238 1.000 18.751 -2.560 -0.004 -99.200 -91.000 TYR 245 0.840 26.660 -15.780 7.158 -99.200 -91.000 PHE 247 1.000 20.010 -7.091 3.963 -99.200 -91.000 TRP 253 1.040 17.697 9.241 14.364 -99.200 -91.000 TRP6 253 1.020 17.025 8.533 16.516 -99.200 -91.000 TYR 256 0.840 9.681 15.436 13.064 -99.200 -91.000 TRP 257 1.040 14.162 14.230 11.008 -99.200 -91.000 TRP6 257 1.020 13.834 16.256 9.825 -99.200 -91.000 PHE 263 1.000 16.354 6.251 3.005 -99.200 -91.000 TRP 272 1.040 2.304 0.503 -2.895 -99.200 -91.000 TRP6 272 1.020 2.225 -1.817 -3.350 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hu7A1 ALA 1 HA -0.03 -0.01 0.12 -0.75 4.34 3.67 3hu7A1 ALA 1 HB3 -0.11 -0.01 -0.05 -0.04 1.41 1.19 3hu7A1 ASN 2 H -0.03 0.18 0.06 -0.55 8.53 8.19 3hu7A1 ASN 2 HA -0.03 -0.04 0.33 -0.75 4.76 4.26 3hu7A1 ASN 2 HB2 -0.01 -0.06 0.04 -0.04 2.88 2.81 3hu7A1 ASN 2 HB3 -0.00 0.10 0.22 -0.04 2.79 3.07 3hu7A1 ASN 2 HD21 0.00 -0.01 -0.01 -0.04 7.03 6.96 3hu7A1 ASN 2 HD22 0.00 -0.01 0.02 -0.04 7.74 7.71 3hu7A1 LEU 3 H -0.03 0.06 0.03 -0.55 8.37 7.87 3hu7A1 LEU 3 HA -0.03 0.18 0.54 -0.75 4.35 4.28 3hu7A1 LEU 3 HB2 -0.05 0.00 -0.03 -0.04 1.64 1.52 3hu7A1 LEU 3 HB3 0.01 -0.02 0.01 -0.04 1.64 1.60 3hu7A1 LEU 3 HG 0.02 0.11 -0.16 -0.04 1.64 1.58 3hu7A1 LEU 3 HD13 -0.17 0.01 -0.10 -0.04 0.93 0.64 3hu7A1 LEU 3 HD23 0.18 -0.02 -0.14 -0.04 0.89 0.86 3hu7A1 ASP 4 H -0.01 0.26 0.22 -0.55 8.40 8.32 3hu7A1 ASP 4 HA 0.12 0.13 0.83 -0.75 4.63 4.95 3hu7A1 ASP 4 HB2 0.14 0.25 0.25 -0.04 2.71 3.31 3hu7A1 ASP 4 HB3 0.46 -0.10 -0.08 -0.04 2.70 2.94 3hu7A1 ILE 5 H 0.19 0.18 0.24 -0.55 8.25 8.31 3hu7A1 ILE 5 HA 0.27 0.32 1.01 -0.75 4.18 5.03 3hu7A1 ILE 5 HB 0.21 0.19 0.18 -0.04 1.89 2.43 3hu7A1 ILE 5 HG12 0.22 -0.05 -0.19 -0.04 1.49 1.43 3hu7A1 ILE 5 HG13 0.13 0.08 -0.39 -0.04 1.21 0.99 3hu7A1 ILE 5 HG23 0.31 -0.05 -0.25 -0.04 0.93 0.90 3hu7A1 ILE 5 HD13 0.12 0.01 -0.08 -0.04 0.88 0.89 3hu7A1 ALA 6 H 0.07 0.64 0.38 -0.55 8.40 8.95 3hu7A1 ALA 6 HA -0.07 0.24 1.01 -0.75 4.34 4.76 3hu7A1 ALA 6 HB3 -0.93 -0.01 -0.07 -0.04 1.41 0.36 3hu7A1 VAL 7 H -0.29 0.61 0.25 -0.55 8.24 8.25 3hu7A1 VAL 7 HA -0.14 0.17 0.98 -0.75 4.13 4.38 3hu7A1 VAL 7 HB -0.37 0.06 -0.25 -0.04 2.12 1.52 3hu7A1 VAL 7 HG13 -0.84 0.03 -0.08 -0.04 0.97 0.04 3hu7A1 VAL 7 HG23 -0.18 0.02 -0.06 -0.04 0.95 0.69 3hu7A1 TYR 8 H 0.08 0.39 0.28 -0.55 8.29 8.49 3hu7A1 TYR 8 HA -0.09 0.27 0.99 -0.75 4.56 4.97 3hu7A1 TYR 8 HB2 -0.07 -0.07 0.24 -0.04 3.06 3.11 3hu7A1 TYR 8 HB3 -0.16 0.01 0.01 -0.04 2.98 2.80 3hu7A1 TYR 8 HD2 0.07 0.05 -0.11 -0.04 7.15 7.12 3hu7A1 TYR 8 HE2 0.21 0.02 -0.20 -0.04 6.85 6.83 3hu7A1 TRP 9 H 0.11 0.81 0.36 -0.55 7.97 8.70 3hu7A1 TRP 9 HA -0.17 -0.06 0.88 -0.75 4.62 4.51 3hu7A1 TRP 9 HB2 -0.21 0.05 -0.16 -0.04 3.23 2.87 3hu7A1 TRP 9 HB3 -0.18 0.07 -0.07 -0.04 3.23 3.01 3hu7A1 TRP 9 HD1 -0.15 -0.00 -0.06 -0.04 7.22 6.96 3hu7A1 TRP 9 HE1 -0.16 0.50 -0.26 -0.04 10.20 10.24 3hu7A1 TRP 9 HE3 -0.15 -0.01 -0.37 -0.04 7.59 7.01 3hu7A1 TRP 9 HZ2 -0.53 -0.02 -0.00 -0.04 7.44 6.84 3hu7A1 TRP 9 HZ3 -0.15 0.05 -0.08 -0.04 7.13 6.90 3hu7A1 TRP 9 HH2 -0.72 0.03 -0.04 -0.04 7.19 6.42 3hu7A1 GLY 10 H -1.38 0.05 0.18 -0.55 8.43 6.73 3hu7A1 GLY 10 HA2 -1.21 0.07 0.29 -0.51 4.01 2.65 3hu7A1 GLY 10 HA3 -0.23 0.33 0.89 -0.51 4.01 4.49 3hu7A1 GLN 11 H -0.49 -0.09 0.03 -0.55 8.47 7.38 3hu7A1 GLN 11 HA -0.15 0.28 0.59 -0.75 4.36 4.33 3hu7A1 GLN 11 HB2 -0.39 -0.15 0.02 -0.04 2.15 1.58 3hu7A1 GLN 11 HB3 -0.21 0.06 0.10 -0.04 2.02 1.93 3hu7A1 GLN 11 HG2 -0.72 -0.01 -0.05 -0.04 2.40 1.58 3hu7A1 GLN 11 HG3 0.01 0.12 -0.09 -0.04 2.39 2.39 3hu7A1 GLN 11 HE21 -0.21 0.21 -0.22 -0.04 6.97 6.70 3hu7A1 GLN 11 HE22 -0.13 0.12 -0.24 -0.04 7.69 7.40 3hu7A1 ASN 12 H -0.41 0.10 -0.15 -0.55 8.53 7.52 3hu7A1 ASN 12 HA -0.31 0.18 0.51 -0.75 4.76 4.38 3hu7A1 ASN 12 HB2 -0.92 0.18 -0.14 -0.04 2.88 1.96 3hu7A1 ASN 12 HB3 -0.79 -0.11 -0.04 -0.04 2.79 1.82 3hu7A1 ASN 12 HD21 -0.22 0.05 0.03 -0.04 7.03 6.86 3hu7A1 ASN 12 HD22 -0.31 0.12 0.16 -0.04 7.74 7.67 3hu7A1 PHE 13 H -0.11 0.18 0.14 -0.55 8.34 7.99 3hu7A1 PHE 13 HA -0.68 0.17 0.36 -0.75 4.62 3.72 3hu7A1 PHE 13 HB2 -0.24 0.11 0.16 -0.04 3.15 3.15 3hu7A1 PHE 13 HB3 -0.18 -0.08 0.10 -0.04 3.06 2.86 3hu7A1 PHE 13 HD2 -0.18 0.01 -0.08 -0.04 7.28 6.99 3hu7A1 PHE 13 HE2 -0.03 0.05 -0.05 -0.04 7.38 7.31 3hu7A1 PHE 13 HZ -0.01 -0.01 -0.01 -0.04 7.32 7.25 3hu7A1 ASP 14 H -0.11 -0.03 -0.36 -0.55 8.40 7.35 3hu7A1 ASP 14 HA -0.16 0.19 0.43 -0.75 4.63 4.34 3hu7A1 ASP 14 HB2 -0.02 -0.06 -0.01 -0.04 2.71 2.58 3hu7A1 ASP 14 HB3 0.01 0.03 0.09 -0.04 2.70 2.79 3hu7A1 GLU 15 H -0.11 0.45 -0.44 -0.55 8.60 7.96 3hu7A1 GLU 15 HA 0.08 0.07 0.33 -0.75 4.29 4.01 3hu7A1 GLU 15 HB2 -0.04 -0.10 0.08 -0.04 2.09 1.99 3hu7A1 GLU 15 HB3 -0.15 -0.13 0.07 -0.04 1.99 1.74 3hu7A1 GLU 15 HG2 -0.18 0.18 -0.03 -0.04 2.34 2.26 3hu7A1 GLU 15 HG3 -0.20 0.40 -0.29 -0.04 2.34 2.21 3hu7A1 ARG 16 H 0.02 0.06 0.11 -0.55 8.46 8.09 3hu7A1 ARG 16 HA 0.05 0.04 0.46 -0.75 4.34 4.13 3hu7A1 ARG 16 HB2 0.03 0.05 0.11 -0.04 1.90 2.05 3hu7A1 ARG 16 HB3 0.10 -0.08 0.03 -0.04 1.80 1.82 3hu7A1 ARG 16 HG2 0.10 0.04 -0.23 -0.04 1.67 1.54 3hu7A1 ARG 16 HG3 0.05 0.00 -0.02 -0.04 1.67 1.66 3hu7A1 ARG 16 HD2 0.08 0.13 -0.29 -0.04 3.22 3.10 3hu7A1 ARG 16 HD3 0.06 0.03 -0.05 -0.04 3.22 3.22 3hu7A1 SER 17 H 0.07 0.09 0.17 -0.55 8.46 8.23 3hu7A1 SER 17 HA 0.24 0.16 0.36 -0.75 4.49 4.50 3hu7A1 SER 17 HB2 -0.02 -0.03 0.15 -0.04 3.95 4.01 3hu7A1 SER 17 HB3 0.02 0.15 0.16 -0.04 3.93 4.21 3hu7A1 LEU 18 H -0.22 0.18 0.14 -0.55 8.37 7.92 3hu7A1 LEU 18 HA -1.06 0.09 0.43 -0.75 4.35 3.06 3hu7A1 LEU 18 HB2 -1.95 0.02 0.09 -0.04 1.64 -0.24 3hu7A1 LEU 18 HB3 -0.64 -0.04 0.10 -0.04 1.64 1.02 3hu7A1 LEU 18 HG -0.50 0.08 -0.30 -0.04 1.64 0.88 3hu7A1 LEU 18 HD13 -0.95 -0.00 -0.04 -0.04 0.93 -0.11 3hu7A1 LEU 18 HD23 -0.63 0.01 -0.11 -0.04 0.89 0.13 3hu7A1 GLU 19 H -0.19 0.07 -0.10 -0.55 8.60 7.84 3hu7A1 GLU 19 HA -0.04 0.20 0.40 -0.75 4.29 4.10 3hu7A1 GLU 19 HB2 -0.12 0.10 0.03 -0.04 2.09 2.06 3hu7A1 GLU 19 HB3 -0.10 0.02 0.11 -0.04 1.99 1.98 3hu7A1 GLU 19 HG2 -0.11 -0.13 0.06 -0.04 2.34 2.12 3hu7A1 GLU 19 HG3 -0.10 0.03 -0.09 -0.04 2.34 2.14 3hu7A1 ALA 20 H -0.03 0.01 -0.33 -0.55 8.40 7.49 3hu7A1 ALA 20 HA 0.02 0.13 0.41 -0.75 4.34 4.15 3hu7A1 ALA 20 HB3 0.02 0.01 0.02 -0.04 1.41 1.42 3hu7A1 THR 21 H 0.00 0.49 -0.32 -0.55 8.28 7.91 3hu7A1 THR 21 HA 0.16 -0.00 0.39 -0.75 4.39 4.18 3hu7A1 THR 21 HB -0.15 0.15 0.11 -0.04 4.32 4.40 3hu7A1 THR 21 HG23 -0.03 -0.03 -0.14 -0.04 1.22 0.98 3hu7A1 CYS 22 H -0.03 0.42 -0.24 -0.55 8.50 8.10 3hu7A1 CYS 22 HA 0.06 0.04 0.34 -0.75 4.58 4.28 3hu7A1 CYS 22 HB2 -0.00 0.04 0.11 -0.04 2.97 3.09 3hu7A1 CYS 22 HB3 -0.06 0.08 0.02 -0.04 2.97 2.97 3hu7A1 ASP 23 H 0.06 0.34 -0.24 -0.55 8.40 8.01 3hu7A1 ASP 23 HA 0.04 0.09 0.32 -0.75 4.63 4.33 3hu7A1 ASP 23 HB2 0.06 -0.01 0.11 -0.04 2.71 2.83 3hu7A1 ASP 23 HB3 0.06 -0.02 0.06 -0.04 2.70 2.75 3hu7A1 THR 24 H 0.06 0.30 -0.55 -0.55 8.28 7.54 3hu7A1 THR 24 HA 0.02 0.02 0.43 -0.75 4.39 4.10 3hu7A1 THR 24 HB -0.06 -0.02 0.06 -0.04 4.32 4.26 3hu7A1 THR 24 HG23 0.10 0.01 0.07 -0.04 1.22 1.36 3hu7A1 GLY 25 H -0.02 0.35 -0.31 -0.55 8.43 7.90 3hu7A1 GLY 25 HA2 -0.05 0.08 0.28 -0.51 4.01 3.81 3hu7A1 GLY 25 HA3 -0.05 0.15 0.52 -0.51 4.01 4.12 3hu7A1 ASN 26 H -0.34 -0.01 -0.29 -0.55 8.53 7.35 3hu7A1 ASN 26 HA -0.27 0.19 0.41 -0.75 4.76 4.34 3hu7A1 ASN 26 HB2 -1.23 -0.07 -0.07 -0.04 2.88 1.47 3hu7A1 ASN 26 HB3 -0.61 -0.11 -0.09 -0.04 2.79 1.95 3hu7A1 ASN 26 HD21 -0.12 0.08 -0.14 -0.04 7.03 6.80 3hu7A1 ASN 26 HD22 -0.20 -0.21 -0.16 -0.04 7.74 7.14 3hu7A1 TYR 27 H -0.14 0.15 -0.17 -0.55 8.29 7.57 3hu7A1 TYR 27 HA 0.03 0.19 0.94 -0.75 4.56 4.97 3hu7A1 TYR 27 HB2 -0.03 0.01 -0.13 -0.04 3.06 2.87 3hu7A1 TYR 27 HB3 -0.01 0.10 -0.08 -0.04 2.98 2.94 3hu7A1 TYR 27 HD2 0.01 0.14 -0.23 -0.04 7.15 7.03 3hu7A1 TYR 27 HE2 0.05 -0.01 -0.10 -0.04 6.85 6.74 3hu7A1 ALA 28 H 0.18 0.41 0.34 -0.55 8.40 8.79 3hu7A1 ALA 28 HA -0.07 0.25 0.76 -0.75 4.34 4.52 3hu7A1 ALA 28 HB3 0.06 0.01 0.06 -0.04 1.41 1.49 3hu7A1 TYR 29 H 0.18 0.28 0.19 -0.55 8.29 8.39 3hu7A1 TYR 29 HA -0.03 0.34 0.90 -0.75 4.56 5.01 3hu7A1 TYR 29 HB2 -0.28 -0.16 0.01 -0.04 3.06 2.59 3hu7A1 TYR 29 HB3 -0.11 -0.01 -0.15 -0.04 2.98 2.67 3hu7A1 TYR 29 HD2 0.08 -0.06 -0.23 -0.04 7.15 6.90 3hu7A1 TYR 29 HE2 0.21 0.03 -0.16 -0.04 6.85 6.90 3hu7A1 VAL 30 H -0.05 0.82 0.24 -0.55 8.24 8.71 3hu7A1 VAL 30 HA -0.20 0.19 0.89 -0.75 4.13 4.25 3hu7A1 VAL 30 HB -0.17 0.03 0.04 -0.04 2.12 1.98 3hu7A1 VAL 30 HG13 -0.22 -0.03 -0.17 -0.04 0.97 0.50 3hu7A1 VAL 30 HG23 -0.15 0.01 -0.25 -0.04 0.95 0.52 3hu7A1 ILE 31 H -0.26 0.73 0.27 -0.55 8.25 8.45 3hu7A1 ILE 31 HA -0.10 0.16 0.88 -0.75 4.18 4.36 3hu7A1 ILE 31 HB -0.83 -0.10 0.04 -0.04 1.89 0.96 3hu7A1 ILE 31 HG12 -0.23 0.05 -0.41 -0.04 1.49 0.86 3hu7A1 ILE 31 HG13 -0.62 0.04 -0.33 -0.04 1.21 0.25 3hu7A1 ILE 31 HG23 -0.11 -0.00 -0.34 -0.04 0.93 0.43 3hu7A1 ILE 31 HD13 -0.93 -0.01 -0.29 -0.04 0.88 -0.39 3hu7A1 ILE 32 H -0.03 0.88 0.31 -0.55 8.25 8.86 3hu7A1 ILE 32 HA 0.16 0.11 0.75 -0.75 4.18 4.44 3hu7A1 ILE 32 HB 0.04 0.04 0.21 -0.04 1.89 2.14 3hu7A1 ILE 32 HG12 -0.08 -0.08 -0.08 -0.04 1.49 1.21 3hu7A1 ILE 32 HG13 -0.12 0.01 -0.08 -0.04 1.21 0.98 3hu7A1 ILE 32 HG23 0.22 -0.02 -0.19 -0.04 0.93 0.90 3hu7A1 ILE 32 HD13 -0.36 0.01 -0.08 -0.04 0.88 0.40 3hu7A1 GLY 33 H -0.11 0.62 0.41 -0.55 8.43 8.80 3hu7A1 GLY 33 HA2 -0.42 0.12 0.98 -0.51 4.01 4.17 3hu7A1 GLY 33 HA3 -1.70 -0.04 0.29 -0.51 4.01 2.05 3hu7A1 PHE 34 H 0.21 0.44 0.19 -0.55 8.34 8.63 3hu7A1 PHE 34 HA 0.11 0.17 0.45 -0.75 4.62 4.59 3hu7A1 PHE 34 HB2 0.05 0.01 0.02 -0.04 3.15 3.18 3hu7A1 PHE 34 HB3 0.02 0.21 -0.31 -0.04 3.06 2.93 3hu7A1 PHE 34 HD2 0.05 0.09 -0.31 -0.04 7.28 7.06 3hu7A1 PHE 34 HE2 -0.00 -0.01 -0.10 -0.04 7.38 7.22 3hu7A1 PHE 34 HZ -0.23 -0.02 -0.06 -0.04 7.32 6.97 3hu7A1 LEU 35 H 0.18 0.67 0.25 -0.55 8.37 8.93 3hu7A1 LEU 35 HA 0.17 0.10 0.92 -0.75 4.35 4.78 3hu7A1 LEU 35 HB2 0.05 0.01 0.08 -0.04 1.64 1.74 3hu7A1 LEU 35 HB3 0.11 -0.08 0.25 -0.04 1.64 1.89 3hu7A1 LEU 35 HG 0.25 0.07 -0.03 -0.04 1.64 1.89 3hu7A1 LEU 35 HD13 0.18 -0.01 -0.18 -0.04 0.93 0.88 3hu7A1 LEU 35 HD23 0.05 -0.02 -0.02 -0.04 0.89 0.86 3hu7A1 ASN 36 H 0.16 0.22 0.13 -0.55 8.53 8.49 3hu7A1 ASN 36 HA -0.02 0.17 0.93 -0.75 4.76 5.08 3hu7A1 ASN 36 HB2 0.10 0.13 0.22 -0.04 2.88 3.30 3hu7A1 ASN 36 HB3 0.12 -0.01 0.02 -0.04 2.79 2.87 3hu7A1 ASN 36 HD21 0.07 -0.07 -0.04 -0.04 7.03 6.95 3hu7A1 ASN 36 HD22 0.08 0.20 0.04 -0.04 7.74 8.02 3hu7A1 THR 37 H 0.15 0.31 0.03 -0.55 8.28 8.22 3hu7A1 THR 37 HA -0.02 0.31 0.79 -0.75 4.39 4.70 3hu7A1 THR 37 HB 0.07 -0.18 0.21 -0.04 4.32 4.39 3hu7A1 THR 37 HG23 0.03 0.05 -0.06 -0.04 1.22 1.20 3hu7A1 PHE 38 H -0.19 0.52 0.26 -0.55 8.34 8.38 3hu7A1 PHE 38 HA -0.00 0.14 0.08 -0.75 4.62 4.08 3hu7A1 PHE 38 HB2 -0.01 -0.09 0.12 -0.04 3.15 3.13 3hu7A1 PHE 38 HB3 -0.01 0.16 0.22 -0.04 3.06 3.38 3hu7A1 PHE 38 HD2 0.04 0.08 -0.34 -0.04 7.28 7.01 3hu7A1 PHE 38 HE2 0.02 -0.02 -0.13 -0.04 7.38 7.20 3hu7A1 PHE 38 HZ -0.02 -0.02 -0.17 -0.04 7.32 7.07 3hu7A1 GLY 39 H 0.19 0.15 0.10 -0.55 8.43 8.32 3hu7A1 GLY 39 HA2 0.12 -0.13 0.44 -0.51 4.01 3.94 3hu7A1 GLY 39 HA3 0.16 0.44 0.55 -0.51 4.01 4.65 3hu7A1 GLY 40 H 0.04 -0.01 0.16 -0.55 8.43 8.08 3hu7A1 GLY 40 HA2 0.02 -0.02 0.33 -0.51 4.01 3.83 3hu7A1 GLY 40 HA3 0.01 0.13 0.24 -0.51 4.01 3.88 3hu7A1 GLY 41 H 0.03 -0.03 -0.23 -0.55 8.43 7.65 3hu7A1 GLY 41 HA2 0.01 -0.03 0.25 -0.51 4.01 3.73 3hu7A1 GLY 41 HA3 0.01 0.16 0.54 -0.51 4.01 4.20 3hu7A1 GLN 42 H 0.02 0.35 -0.39 -0.55 8.47 7.91 3hu7A1 GLN 42 HA 0.01 0.11 0.75 -0.75 4.36 4.48 3hu7A1 GLN 42 HB2 0.03 -0.03 -0.15 -0.04 2.15 1.96 3hu7A1 GLN 42 HB3 0.02 0.10 -0.00 -0.04 2.02 2.09 3hu7A1 GLN 42 HG2 0.00 -0.04 -0.06 -0.04 2.40 2.26 3hu7A1 GLN 42 HG3 0.01 0.03 -0.15 -0.04 2.39 2.23 3hu7A1 GLN 42 HE21 -0.03 0.41 0.16 -0.04 6.97 7.47 3hu7A1 GLN 42 HE22 -0.00 0.19 -0.09 -0.04 7.69 7.74 3hu7A1 THR 43 H 0.01 0.11 0.12 -0.55 8.28 7.96 3hu7A1 THR 43 HA -0.03 0.10 0.67 -0.75 4.39 4.38 3hu7A1 THR 43 HB -0.00 -0.03 0.08 -0.04 4.32 4.33 3hu7A1 THR 43 HG23 0.01 0.01 -0.06 -0.04 1.22 1.14 3hu7A1 PRO 44 HA 0.06 0.44 0.65 -0.51 4.44 5.08 3hu7A1 PRO 44 HB2 -0.18 -0.00 -0.05 -0.04 2.28 2.01 3hu7A1 PRO 44 HB3 -0.19 -0.00 0.14 -0.04 2.02 1.93 3hu7A1 PRO 44 HG2 -0.89 0.04 0.10 -0.04 2.03 1.24 3hu7A1 PRO 44 HG3 -0.97 0.01 0.09 -0.04 2.03 1.12 3hu7A1 PRO 44 HD2 -0.18 0.08 0.24 -0.04 3.68 3.78 3hu7A1 PRO 44 HD3 -0.18 0.11 0.19 -0.04 3.65 3.73 3hu7A1 ALA 45 H 0.11 0.44 0.35 -0.55 8.40 8.75 3hu7A1 ALA 45 HA 0.08 0.11 0.66 -0.75 4.34 4.44 3hu7A1 ALA 45 HB3 0.06 0.02 -0.00 -0.04 1.41 1.45 3hu7A1 LEU 46 H 0.11 0.17 0.19 -0.55 8.37 8.28 3hu7A1 LEU 46 HA 0.15 0.17 1.00 -0.75 4.35 4.91 3hu7A1 LEU 46 HB2 0.13 -0.02 0.11 -0.04 1.64 1.82 3hu7A1 LEU 46 HB3 0.17 -0.01 -0.09 -0.04 1.64 1.68 3hu7A1 LEU 46 HG 0.13 -0.02 -0.09 -0.04 1.64 1.62 3hu7A1 LEU 46 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 3hu7A1 LEU 46 HD23 0.11 0.01 -0.18 -0.04 0.89 0.79 3hu7A1 ASP 47 H 0.17 0.77 0.33 -0.55 8.40 9.12 3hu7A1 ASP 47 HA 0.09 0.12 0.69 -0.75 4.63 4.78 3hu7A1 ASP 47 HB2 0.09 0.06 0.09 -0.04 2.71 2.90 3hu7A1 ASP 47 HB3 0.14 0.05 0.29 -0.04 2.70 3.14 3hu7A1 ILE 48 H 0.13 0.18 -0.12 -0.55 8.25 7.89 3hu7A1 ILE 48 HA 0.09 0.49 1.05 -0.75 4.18 5.06 3hu7A1 ILE 48 HB 0.26 -0.02 0.15 -0.04 1.89 2.24 3hu7A1 ILE 48 HG12 0.21 -0.07 -0.06 -0.04 1.49 1.53 3hu7A1 ILE 48 HG13 0.23 -0.04 -0.03 -0.04 1.21 1.33 3hu7A1 ILE 48 HG23 0.24 0.03 -0.34 -0.04 0.93 0.83 3hu7A1 ILE 48 HD13 0.39 0.01 -0.16 -0.04 0.88 1.09 3hu7A1 SER 49 H 0.03 0.12 -0.28 -0.55 8.46 7.78 3hu7A1 SER 49 HA -0.06 0.04 0.27 -0.75 4.49 3.98 3hu7A1 SER 49 HB2 -0.27 0.07 -0.46 -0.04 3.95 3.25 3hu7A1 SER 49 HB3 -0.18 -0.18 -0.06 -0.04 3.93 3.47 3hu7A1 GLY 50 H 0.01 0.02 -0.26 -0.55 8.43 7.66 3hu7A1 GLY 50 HA2 0.01 0.01 0.26 -0.51 4.01 3.78 3hu7A1 GLY 50 HA3 -0.02 0.07 0.34 -0.51 4.01 3.89 3hu7A1 HIS 51 H -0.07 0.43 -0.42 -0.55 8.41 7.80 3hu7A1 HIS 51 HA 0.16 0.04 0.48 -0.75 4.63 4.56 3hu7A1 HIS 51 HB2 0.19 0.00 -0.02 -0.04 3.26 3.40 3hu7A1 HIS 51 HB3 0.24 -0.04 -0.04 -0.04 3.20 3.33 3hu7A1 HIS 51 HD2 -0.40 0.08 -0.02 -0.04 6.97 6.58 3hu7A1 HIS 51 HE1 -0.26 0.16 -0.02 -0.04 7.75 7.59 3hu7A1 SER 52 H 0.23 0.11 0.15 -0.55 8.46 8.40 3hu7A1 SER 52 HA 0.16 0.20 0.66 -0.75 4.49 4.76 3hu7A1 SER 52 HB2 0.13 0.11 0.14 -0.04 3.95 4.29 3hu7A1 SER 52 HB3 0.13 -0.01 0.20 -0.04 3.93 4.20 3hu7A1 PRO 53 HA 0.44 0.05 0.31 -0.51 4.44 4.73 3hu7A1 PRO 53 HB2 0.17 0.22 0.11 -0.04 2.28 2.74 3hu7A1 PRO 53 HB3 0.28 -0.02 0.01 -0.04 2.02 2.25 3hu7A1 PRO 53 HG2 0.13 0.05 0.12 -0.04 2.03 2.28 3hu7A1 PRO 53 HG3 0.20 0.02 0.07 -0.04 2.03 2.29 3hu7A1 PRO 53 HD2 0.13 0.04 0.24 -0.04 3.68 4.06 3hu7A1 PRO 53 HD3 0.17 0.37 0.34 -0.04 3.65 4.49 3hu7A1 SER 54 H 0.14 0.11 -0.03 -0.55 8.46 8.13 3hu7A1 SER 54 HA 0.13 0.16 0.44 -0.75 4.49 4.47 3hu7A1 SER 54 HB2 0.08 -0.04 0.13 -0.04 3.95 4.08 3hu7A1 SER 54 HB3 0.06 0.00 -0.04 -0.04 3.93 3.91 3hu7A1 GLY 55 H 0.10 0.08 -0.43 -0.55 8.43 7.64 3hu7A1 GLY 55 HA2 0.03 0.07 0.38 -0.51 4.01 3.97 3hu7A1 GLY 55 HA3 0.06 -0.00 0.29 -0.51 4.01 3.84 3hu7A1 LEU 56 H 0.07 0.42 -0.49 -0.55 8.37 7.82 3hu7A1 LEU 56 HA -0.13 -0.02 0.64 -0.75 4.35 4.07 3hu7A1 LEU 56 HB2 -0.20 0.29 0.09 -0.04 1.64 1.79 3hu7A1 LEU 56 HB3 -0.41 -0.09 0.05 -0.04 1.64 1.15 3hu7A1 LEU 56 HG 0.06 0.16 -0.10 -0.04 1.64 1.72 3hu7A1 LEU 56 HD13 -0.11 -0.00 -0.09 -0.04 0.93 0.69 3hu7A1 LEU 56 HD23 -0.25 -0.03 -0.04 -0.04 0.89 0.53 3hu7A1 GLU 57 H 0.02 0.43 -0.26 -0.55 8.60 8.25 3hu7A1 GLU 57 HA -0.01 0.07 0.34 -0.75 4.29 3.93 3hu7A1 GLU 57 HB2 0.06 0.19 0.09 -0.04 2.09 2.38 3hu7A1 GLU 57 HB3 0.02 0.08 0.16 -0.04 1.99 2.21 3hu7A1 GLU 57 HG2 -0.00 -0.01 -0.28 -0.04 2.34 2.00 3hu7A1 GLU 57 HG3 0.01 -0.02 0.02 -0.04 2.34 2.31 3hu7A1 PRO 58 HA -0.02 0.10 0.42 -0.51 4.44 4.42 3hu7A1 PRO 58 HB2 -0.04 0.02 -0.05 -0.04 2.28 2.16 3hu7A1 PRO 58 HB3 -0.02 0.04 0.07 -0.04 2.02 2.07 3hu7A1 PRO 58 HG2 -0.04 0.07 0.05 -0.04 2.03 2.07 3hu7A1 PRO 58 HG3 -0.02 0.03 0.05 -0.04 2.03 2.05 3hu7A1 PRO 58 HD2 -0.03 0.23 -0.41 -0.04 3.68 3.43 3hu7A1 PRO 58 HD3 -0.01 0.14 0.09 -0.04 3.65 3.83 3hu7A1 GLN 59 H -0.09 0.26 -0.24 -0.55 8.47 7.86 3hu7A1 GLN 59 HA -0.07 0.05 0.55 -0.75 4.36 4.13 3hu7A1 GLN 59 HB2 -0.24 0.14 0.13 -0.04 2.15 2.13 3hu7A1 GLN 59 HB3 -0.23 -0.19 0.03 -0.04 2.02 1.59 3hu7A1 GLN 59 HG2 -0.11 0.01 0.04 -0.04 2.40 2.29 3hu7A1 GLN 59 HG3 -0.11 0.27 0.13 -0.04 2.39 2.64 3hu7A1 GLN 59 HE21 -0.06 -0.07 0.03 -0.04 6.97 6.83 3hu7A1 GLN 59 HE22 -0.07 0.28 -0.01 -0.04 7.69 7.86 3hu7A1 ILE 60 H -0.16 0.68 -0.06 -0.55 8.25 8.16 3hu7A1 ILE 60 HA -0.19 -0.01 0.42 -0.75 4.18 3.65 3hu7A1 ILE 60 HB -0.11 0.18 0.14 -0.04 1.89 2.05 3hu7A1 ILE 60 HG12 -0.32 -0.08 -0.03 -0.04 1.49 1.02 3hu7A1 ILE 60 HG13 -0.32 0.09 0.03 -0.04 1.21 0.96 3hu7A1 ILE 60 HG23 -0.08 0.00 -0.18 -0.04 0.93 0.63 3hu7A1 ILE 60 HD13 -0.39 -0.00 -0.12 -0.04 0.88 0.33 3hu7A1 LYS 61 H -0.05 0.48 -0.06 -0.55 8.42 8.24 3hu7A1 LYS 61 HA -0.03 0.07 0.46 -0.75 4.32 4.06 3hu7A1 LYS 61 HB2 -0.01 0.04 0.15 -0.04 1.87 2.01 3hu7A1 LYS 61 HB3 -0.01 -0.01 0.03 -0.04 1.79 1.76 3hu7A1 LYS 61 HG2 -0.01 0.02 0.05 -0.04 1.46 1.48 3hu7A1 LYS 61 HG3 -0.02 0.12 0.10 -0.04 1.46 1.62 3hu7A1 LYS 61 HD2 -0.01 -0.06 -0.06 -0.04 1.69 1.52 3hu7A1 LYS 61 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 3hu7A1 LYS 61 HE2 -0.00 0.10 -0.09 -0.04 2.99 2.95 3hu7A1 LYS 61 HE3 -0.00 -0.03 -0.17 -0.04 2.99 2.75 3hu7A1 HIS 62 H 0.05 0.40 -0.31 -0.55 8.41 8.00 3hu7A1 HIS 62 HA -0.05 0.03 0.45 -0.75 4.63 4.32 3hu7A1 HIS 62 HB2 -0.06 0.01 0.13 -0.04 3.26 3.30 3hu7A1 HIS 62 HB3 -0.09 0.03 0.20 -0.04 3.20 3.30 3hu7A1 HIS 62 HD2 -0.07 -0.03 -0.08 -0.04 6.97 6.74 3hu7A1 HIS 62 HE1 -0.02 0.01 -0.03 -0.04 7.75 7.65 3hu7A1 CYS 63 H -0.05 0.56 -0.07 -0.55 8.50 8.39 3hu7A1 CYS 63 HA -0.16 -0.01 0.38 -0.75 4.58 4.04 3hu7A1 CYS 63 HB2 -0.13 0.16 0.18 -0.04 2.97 3.14 3hu7A1 CYS 63 HB3 -0.12 0.01 -0.10 -0.04 2.97 2.72 3hu7A1 GLN 64 H -0.09 0.53 -0.15 -0.55 8.47 8.21 3hu7A1 GLN 64 HA -0.08 0.21 0.44 -0.75 4.36 4.18 3hu7A1 GLN 64 HB2 -0.05 0.04 0.14 -0.04 2.15 2.24 3hu7A1 GLN 64 HB3 -0.04 -0.04 0.06 -0.04 2.02 1.96 3hu7A1 GLN 64 HG2 -0.04 0.00 0.11 -0.04 2.40 2.43 3hu7A1 GLN 64 HG3 -0.07 0.04 0.09 -0.04 2.39 2.42 3hu7A1 GLN 64 HE21 0.01 0.60 0.18 -0.04 6.97 7.72 3hu7A1 GLN 64 HE22 -0.00 -0.19 0.11 -0.04 7.69 7.56 3hu7A1 SER 65 H -0.11 0.44 -0.22 -0.55 8.46 8.02 3hu7A1 SER 65 HA -0.06 0.03 0.50 -0.75 4.49 4.21 3hu7A1 SER 65 HB2 -0.05 -0.09 0.13 -0.04 3.95 3.90 3hu7A1 SER 65 HB3 -0.05 0.05 0.15 -0.04 3.93 4.04 3hu7A1 LYS 66 H -0.19 0.40 -0.41 -0.55 8.42 7.66 3hu7A1 LYS 66 HA -0.10 0.11 0.79 -0.75 4.32 4.36 3hu7A1 LYS 66 HB2 -0.22 0.07 0.11 -0.04 1.87 1.79 3hu7A1 LYS 66 HB3 -0.11 -0.01 0.15 -0.04 1.79 1.78 3hu7A1 LYS 66 HG2 -0.13 -0.01 -0.03 -0.04 1.46 1.24 3hu7A1 LYS 66 HG3 -0.40 0.02 -0.09 -0.04 1.46 0.94 3hu7A1 LYS 66 HD2 -0.26 -0.09 -0.07 -0.04 1.69 1.23 3hu7A1 LYS 66 HD3 -0.13 0.04 -0.09 -0.04 1.68 1.46 3hu7A1 LYS 66 HE2 -0.02 0.06 0.00 -0.04 2.99 2.99 3hu7A1 LYS 66 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.89 3hu7A1 ASN 67 H -0.08 0.38 -0.56 -0.55 8.53 7.72 3hu7A1 ASN 67 HA -0.06 0.07 0.27 -0.75 4.76 4.28 3hu7A1 ASN 67 HB2 -0.05 0.22 -0.05 -0.04 2.88 2.96 3hu7A1 ASN 67 HB3 -0.05 -0.08 0.18 -0.04 2.79 2.80 3hu7A1 ASN 67 HD21 -0.03 -0.05 -0.07 -0.04 7.03 6.83 3hu7A1 ASN 67 HD22 -0.04 0.05 -0.20 -0.04 7.74 7.51 3hu7A1 VAL 68 H -0.10 0.40 -0.21 -0.55 8.24 7.79 3hu7A1 VAL 68 HA -0.12 0.24 0.82 -0.75 4.13 4.32 3hu7A1 VAL 68 HB -0.09 -0.12 -0.08 -0.04 2.12 1.79 3hu7A1 VAL 68 HG13 -0.06 -0.03 -0.38 -0.04 0.97 0.47 3hu7A1 VAL 68 HG23 -0.05 0.06 -0.07 -0.04 0.95 0.85 3hu7A1 LYS 69 H -0.22 0.57 0.23 -0.55 8.42 8.45 3hu7A1 LYS 69 HA -0.05 0.10 0.72 -0.75 4.32 4.34 3hu7A1 LYS 69 HB2 -0.22 -0.03 0.13 -0.04 1.87 1.71 3hu7A1 LYS 69 HB3 0.05 -0.07 -0.05 -0.04 1.79 1.68 3hu7A1 LYS 69 HG2 -0.06 0.03 -0.03 -0.04 1.46 1.35 3hu7A1 LYS 69 HG3 -0.25 0.16 0.05 -0.04 1.46 1.37 3hu7A1 LYS 69 HD2 -0.16 -0.02 -0.05 -0.04 1.69 1.42 3hu7A1 LYS 69 HD3 0.11 -0.04 -0.05 -0.04 1.68 1.66 3hu7A1 LYS 69 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.93 3hu7A1 LYS 69 HE3 0.07 -0.01 -0.03 -0.04 2.99 2.97 3hu7A1 VAL 70 H -0.01 0.21 0.18 -0.55 8.24 8.08 3hu7A1 VAL 70 HA -0.05 0.32 1.08 -0.75 4.13 4.73 3hu7A1 VAL 70 HB -0.06 -0.01 0.15 -0.04 2.12 2.16 3hu7A1 VAL 70 HG13 -0.15 -0.02 -0.12 -0.04 0.97 0.65 3hu7A1 VAL 70 HG23 -0.13 0.04 -0.18 -0.04 0.95 0.64 3hu7A1 LEU 71 H 0.00 0.56 0.31 -0.55 8.37 8.70 3hu7A1 LEU 71 HA 0.08 0.22 0.94 -0.75 4.35 4.85 3hu7A1 LEU 71 HB2 0.09 -0.11 -0.23 -0.04 1.64 1.34 3hu7A1 LEU 71 HB3 0.15 0.05 -0.35 -0.04 1.64 1.45 3hu7A1 LEU 71 HG 0.18 0.03 -0.31 -0.04 1.64 1.49 3hu7A1 LEU 71 HD13 0.33 -0.00 -0.37 -0.04 0.93 0.84 3hu7A1 LEU 71 HD23 0.21 -0.01 -0.57 -0.04 0.89 0.48 3hu7A1 LEU 72 H 0.05 0.58 0.32 -0.55 8.37 8.78 3hu7A1 LEU 72 HA 0.04 0.20 0.98 -0.75 4.35 4.81 3hu7A1 LEU 72 HB2 -0.07 0.02 0.06 -0.04 1.64 1.61 3hu7A1 LEU 72 HB3 -0.14 0.02 0.15 -0.04 1.64 1.63 3hu7A1 LEU 72 HG -0.07 0.03 -0.35 -0.04 1.64 1.21 3hu7A1 LEU 72 HD13 0.08 0.01 -0.04 -0.04 0.93 0.95 3hu7A1 LEU 72 HD23 -0.80 -0.01 -0.08 -0.04 0.89 -0.04 3hu7A1 SER 73 H 0.05 0.74 0.27 -0.55 8.46 8.97 3hu7A1 SER 73 HA 0.21 0.19 1.03 -0.75 4.49 5.16 3hu7A1 SER 73 HB2 0.25 -0.05 -0.20 -0.04 3.95 3.91 3hu7A1 SER 73 HB3 0.08 -0.04 0.02 -0.04 3.93 3.94 3hu7A1 ILE 74 H 0.12 0.75 0.36 -0.55 8.25 8.94 3hu7A1 ILE 74 HA 0.12 0.18 0.99 -0.75 4.18 4.72 3hu7A1 ILE 74 HB -0.10 0.01 0.06 -0.04 1.89 1.81 3hu7A1 ILE 74 HG12 -0.19 0.15 0.03 -0.04 1.49 1.43 3hu7A1 ILE 74 HG13 -0.19 -0.14 -0.03 -0.04 1.21 0.81 3hu7A1 ILE 74 HG23 -0.11 0.01 -0.09 -0.04 0.93 0.70 3hu7A1 ILE 74 HD13 -0.73 -0.00 -0.09 -0.04 0.88 0.01 3hu7A1 GLY 75 H 0.08 0.60 0.20 -0.55 8.43 8.76 3hu7A1 GLY 75 HA2 -1.85 -0.00 0.29 -0.51 4.01 1.94 3hu7A1 GLY 75 HA3 -0.72 0.04 0.57 -0.51 4.01 3.39 3hu7A1 GLY 76 H -0.22 0.76 0.29 -0.55 8.43 8.71 3hu7A1 GLY 76 HA2 -1.37 -0.03 0.28 -0.51 4.01 2.38 3hu7A1 GLY 76 HA3 -1.20 0.15 0.78 -0.51 4.01 3.24 3hu7A1 PRO 77 HA -0.07 0.06 0.39 -0.51 4.44 4.31 3hu7A1 PRO 77 HB2 -0.06 0.03 -0.02 -0.04 2.28 2.18 3hu7A1 PRO 77 HB3 -0.14 0.01 0.10 -0.04 2.02 1.95 3hu7A1 PRO 77 HG2 -0.01 0.03 0.06 -0.04 2.03 2.07 3hu7A1 PRO 77 HG3 -0.44 0.02 0.06 -0.04 2.03 1.63 3hu7A1 PRO 77 HD2 -0.63 0.14 0.19 -0.04 3.68 3.35 3hu7A1 PRO 77 HD3 -1.38 0.07 0.18 -0.04 3.65 2.49 3hu7A1 LYS 78 H -0.08 0.23 -0.16 -0.55 8.42 7.86 3hu7A1 LYS 78 HA 0.05 0.16 0.75 -0.75 4.32 4.53 3hu7A1 LYS 78 HB2 0.01 -0.02 -0.02 -0.04 1.87 1.80 3hu7A1 LYS 78 HB3 0.00 0.05 -0.08 -0.04 1.79 1.73 3hu7A1 LYS 78 HG2 0.00 -0.07 -0.11 -0.04 1.46 1.24 3hu7A1 LYS 78 HG3 0.01 0.03 -0.05 -0.04 1.46 1.41 3hu7A1 LYS 78 HD2 0.02 0.01 -0.07 -0.04 1.69 1.60 3hu7A1 LYS 78 HD3 0.02 0.01 -0.06 -0.04 1.68 1.61 3hu7A1 LYS 78 HE2 0.06 -0.00 -0.02 -0.04 2.99 2.98 3hu7A1 LYS 78 HE3 0.06 -0.00 -0.02 -0.04 2.99 2.98 3hu7A1 GLY 79 H 0.02 0.13 0.11 -0.55 8.43 8.14 3hu7A1 GLY 79 HA2 0.05 -0.01 0.31 -0.51 4.01 3.85 3hu7A1 GLY 79 HA3 0.19 0.30 0.83 -0.51 4.01 4.82 3hu7A1 PRO 80 HA -0.11 0.10 0.64 -0.51 4.44 4.56 3hu7A1 PRO 80 HB2 -0.04 0.03 0.22 -0.04 2.28 2.44 3hu7A1 PRO 80 HB3 -0.04 -0.01 0.12 -0.04 2.02 2.04 3hu7A1 PRO 80 HG2 -0.01 -0.01 0.18 -0.04 2.03 2.16 3hu7A1 PRO 80 HG3 -0.00 0.00 0.10 -0.04 2.03 2.08 3hu7A1 PRO 80 HD2 0.05 0.26 0.10 -0.04 3.68 4.05 3hu7A1 PRO 80 HD3 0.01 0.03 0.14 -0.04 3.65 3.79 3hu7A1 TYR 81 H -0.28 0.39 -0.25 -0.55 8.29 7.59 3hu7A1 TYR 81 HA -0.48 0.31 1.07 -0.75 4.56 4.71 3hu7A1 TYR 81 HB2 -1.90 -0.07 -0.08 -0.04 3.06 0.98 3hu7A1 TYR 81 HB3 -0.76 0.09 -0.32 -0.04 2.98 1.95 3hu7A1 TYR 81 HD2 -0.13 0.07 -0.22 -0.04 7.15 6.82 3hu7A1 TYR 81 HE2 -0.22 0.02 -0.23 -0.04 6.85 6.38 3hu7A1 SER 82 H -0.11 0.57 0.20 -0.55 8.46 8.57 3hu7A1 SER 82 HA 0.14 0.12 0.36 -0.75 4.49 4.36 3hu7A1 SER 82 HB2 0.05 -0.07 0.10 -0.04 3.95 3.98 3hu7A1 SER 82 HB3 0.01 0.19 -0.14 -0.04 3.93 3.94 3hu7A1 LEU 83 H 0.06 0.24 -0.04 -0.55 8.37 8.09 3hu7A1 LEU 83 HA 0.04 0.07 0.69 -0.75 4.35 4.40 3hu7A1 LEU 83 HB2 -0.30 0.08 -0.18 -0.04 1.64 1.20 3hu7A1 LEU 83 HB3 -0.52 -0.13 0.16 -0.04 1.64 1.11 3hu7A1 LEU 83 HG -0.12 -0.07 -0.11 -0.04 1.64 1.29 3hu7A1 LEU 83 HD13 0.06 0.04 -0.11 -0.04 0.93 0.88 3hu7A1 LEU 83 HD23 -0.29 0.02 -0.13 -0.04 0.89 0.45 3hu7A1 ASP 84 H 0.01 0.11 0.03 -0.55 8.40 8.00 3hu7A1 ASP 84 HA -0.01 0.16 0.52 -0.75 4.63 4.55 3hu7A1 ASP 84 HB2 0.01 -0.04 0.10 -0.04 2.71 2.74 3hu7A1 ASP 84 HB3 0.01 0.08 0.08 -0.04 2.70 2.82 3hu7A1 SER 85 H -0.00 -0.04 0.02 -0.55 8.46 7.89 3hu7A1 SER 85 HA -0.00 0.38 1.01 -0.75 4.49 5.12 3hu7A1 SER 85 HB2 0.00 0.08 0.17 -0.04 3.95 4.17 3hu7A1 SER 85 HB3 0.00 0.09 0.06 -0.04 3.93 4.04 3hu7A1 ARG 86 H -0.00 0.26 0.18 -0.55 8.46 8.35 3hu7A1 ARG 86 HA -0.01 0.12 0.49 -0.75 4.34 4.19 3hu7A1 ARG 86 HB2 -0.00 0.02 0.10 -0.04 1.90 1.97 3hu7A1 ARG 86 HB3 -0.00 0.07 0.08 -0.04 1.80 1.91 3hu7A1 ARG 86 HG2 -0.01 0.03 0.05 -0.04 1.67 1.70 3hu7A1 ARG 86 HG3 -0.00 -0.03 0.11 -0.04 1.67 1.71 3hu7A1 ARG 86 HD2 -0.00 0.05 0.03 -0.04 3.22 3.26 3hu7A1 ARG 86 HD3 -0.00 0.01 0.04 -0.04 3.22 3.23 3hu7A1 SER 87 H 0.00 0.05 -0.14 -0.55 8.46 7.83 3hu7A1 SER 87 HA 0.01 0.16 0.47 -0.75 4.49 4.38 3hu7A1 SER 87 HB2 0.01 0.06 0.08 -0.04 3.95 4.06 3hu7A1 SER 87 HB3 0.01 -0.05 0.06 -0.04 3.93 3.91 3hu7A1 ASP 88 H 0.01 -0.01 -0.25 -0.55 8.40 7.61 3hu7A1 ASP 88 HA 0.02 0.09 0.47 -0.75 4.63 4.47 3hu7A1 ASP 88 HB2 0.00 0.08 0.10 -0.04 2.71 2.85 3hu7A1 ASP 88 HB3 0.04 0.11 0.05 -0.04 2.70 2.85 3hu7A1 ALA 89 H -0.02 0.34 -0.26 -0.55 8.40 7.91 3hu7A1 ALA 89 HA -0.05 0.03 0.36 -0.75 4.34 3.92 3hu7A1 ALA 89 HB3 -0.03 0.03 0.04 -0.04 1.41 1.40 3hu7A1 ASN 90 H 0.00 0.47 -0.06 -0.55 8.53 8.40 3hu7A1 ASN 90 HA 0.03 0.06 0.51 -0.75 4.76 4.61 3hu7A1 ASN 90 HB2 0.01 0.02 0.11 -0.04 2.88 2.98 3hu7A1 ASN 90 HB3 0.02 0.02 0.16 -0.04 2.79 2.95 3hu7A1 ASN 90 HD21 0.05 0.02 -0.06 -0.04 7.03 7.00 3hu7A1 ASN 90 HD22 0.03 -0.03 -0.03 -0.04 7.74 7.67 3hu7A1 ASP 91 H 0.03 0.56 -0.13 -0.55 8.40 8.31 3hu7A1 ASP 91 HA 0.07 0.04 0.36 -0.75 4.63 4.35 3hu7A1 ASP 91 HB2 0.02 0.03 0.18 -0.04 2.71 2.91 3hu7A1 ASP 91 HB3 0.03 -0.01 0.01 -0.04 2.70 2.69 3hu7A1 LEU 92 H 0.01 0.56 -0.09 -0.55 8.37 8.31 3hu7A1 LEU 92 HA 0.05 0.04 0.54 -0.75 4.35 4.23 3hu7A1 LEU 92 HB2 -0.12 -0.03 0.12 -0.04 1.64 1.57 3hu7A1 LEU 92 HB3 -0.10 0.06 0.13 -0.04 1.64 1.69 3hu7A1 LEU 92 HG -0.14 0.01 -0.13 -0.04 1.64 1.33 3hu7A1 LEU 92 HD13 -0.18 -0.01 0.05 -0.04 0.93 0.74 3hu7A1 LEU 92 HD23 -0.81 -0.01 -0.06 -0.04 0.89 -0.04 3hu7A1 ALA 93 H 0.06 0.59 -0.06 -0.55 8.40 8.45 3hu7A1 ALA 93 HA 0.15 0.01 0.41 -0.75 4.34 4.16 3hu7A1 ALA 93 HB3 0.12 0.02 0.08 -0.04 1.41 1.59 3hu7A1 VAL 94 H 0.18 0.55 -0.17 -0.55 8.24 8.24 3hu7A1 VAL 94 HA 0.25 0.05 0.42 -0.75 4.13 4.09 3hu7A1 VAL 94 HB 0.15 0.11 0.17 -0.04 2.12 2.50 3hu7A1 VAL 94 HG13 0.11 -0.01 -0.12 -0.04 0.97 0.91 3hu7A1 VAL 94 HG23 0.20 -0.01 0.03 -0.04 0.95 1.13 3hu7A1 TYR 95 H 0.25 0.49 -0.14 -0.55 8.29 8.34 3hu7A1 TYR 95 HA 0.03 0.01 0.45 -0.75 4.56 4.31 3hu7A1 TYR 95 HB2 0.04 0.01 0.15 -0.04 3.06 3.22 3hu7A1 TYR 95 HB3 0.05 0.06 0.24 -0.04 2.98 3.30 3hu7A1 TYR 95 HD2 0.06 0.01 -0.04 -0.04 7.15 7.14 3hu7A1 TYR 95 HE2 0.14 -0.01 -0.03 -0.04 6.85 6.92 3hu7A1 LEU 96 H 0.25 0.64 -0.04 -0.55 8.37 8.66 3hu7A1 LEU 96 HA 0.28 -0.01 0.46 -0.75 4.35 4.33 3hu7A1 LEU 96 HB2 0.15 0.10 0.11 -0.04 1.64 1.96 3hu7A1 LEU 96 HB3 0.09 -0.03 -0.03 -0.04 1.64 1.63 3hu7A1 LEU 96 HG 0.21 0.10 0.08 -0.04 1.64 1.99 3hu7A1 LEU 96 HD13 -0.02 -0.03 -0.10 -0.04 0.93 0.74 3hu7A1 LEU 96 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.81 3hu7A1 PHE 97 H 0.23 0.58 -0.15 -0.55 8.34 8.45 3hu7A1 PHE 97 HA -0.16 0.01 0.41 -0.75 4.62 4.13 3hu7A1 PHE 97 HB2 -0.11 0.11 0.14 -0.04 3.15 3.25 3hu7A1 PHE 97 HB3 -0.26 0.04 0.15 -0.04 3.06 2.94 3hu7A1 PHE 97 HD2 -0.42 -0.03 -0.04 -0.04 7.28 6.75 3hu7A1 PHE 97 HE2 -0.14 0.02 -0.08 -0.04 7.38 7.14 3hu7A1 PHE 97 HZ -0.09 0.03 -0.05 -0.04 7.32 7.16 3hu7A1 ASN 98 H -0.03 0.57 -0.06 -0.55 8.53 8.46 3hu7A1 ASN 98 HA -0.34 0.07 0.38 -0.75 4.76 4.12 3hu7A1 ASN 98 HB2 -0.12 0.08 0.15 -0.04 2.88 2.95 3hu7A1 ASN 98 HB3 -0.16 -0.06 -0.07 -0.04 2.79 2.47 3hu7A1 ASN 98 HD21 0.04 -0.10 0.02 -0.04 7.03 6.96 3hu7A1 ASN 98 HD22 0.05 0.27 0.17 -0.04 7.74 8.19 3hu7A1 ASN 99 H -0.33 0.46 -0.16 -0.55 8.53 7.95 3hu7A1 ASN 99 HA -0.42 0.15 0.62 -0.75 4.76 4.35 3hu7A1 ASN 99 HB2 -1.00 0.19 0.13 -0.04 2.88 2.15 3hu7A1 ASN 99 HB3 -1.16 -0.13 0.09 -0.04 2.79 1.55 3hu7A1 ASN 99 HD21 -0.21 -0.09 -0.00 -0.04 7.03 6.69 3hu7A1 ASN 99 HD22 -0.91 0.16 0.12 -0.04 7.74 7.08 3hu7A1 PHE 100 H -0.13 0.31 -0.08 -0.55 8.34 7.88 3hu7A1 PHE 100 HA -0.07 0.24 1.03 -0.75 4.62 5.06 3hu7A1 PHE 100 HB2 -0.10 0.13 0.08 -0.04 3.15 3.23 3hu7A1 PHE 100 HB3 -0.01 -0.10 0.02 -0.04 3.06 2.93 3hu7A1 PHE 100 HD2 -0.07 0.04 0.01 -0.04 7.28 7.22 3hu7A1 PHE 100 HE2 -0.56 -0.06 -0.07 -0.04 7.38 6.64 3hu7A1 PHE 100 HZ -0.18 -0.06 -0.05 -0.04 7.32 6.99 3hu7A1 LEU 101 H -0.10 0.27 0.18 -0.55 8.37 8.17 3hu7A1 LEU 101 HA -0.05 0.16 0.59 -0.75 4.35 4.30 3hu7A1 LEU 101 HB2 -0.16 0.03 0.11 -0.04 1.64 1.58 3hu7A1 LEU 101 HB3 -0.28 0.01 -0.00 -0.04 1.64 1.33 3hu7A1 LEU 101 HG -0.08 -0.02 -0.17 -0.04 1.64 1.34 3hu7A1 LEU 101 HD13 -0.64 -0.03 -0.18 -0.04 0.93 0.04 3hu7A1 LEU 101 HD23 -0.26 0.01 -0.24 -0.04 0.89 0.35 3hu7A1 LEU 102 H -0.28 0.20 -0.01 -0.55 8.37 7.74 3hu7A1 LEU 102 HA -0.20 0.15 0.89 -0.75 4.35 4.44 3hu7A1 LEU 102 HB2 -0.41 0.05 0.06 -0.04 1.64 1.30 3hu7A1 LEU 102 HB3 -0.29 0.06 0.01 -0.04 1.64 1.38 3hu7A1 LEU 102 HG -1.43 -0.03 -0.20 -0.04 1.64 -0.06 3hu7A1 LEU 102 HD13 -0.77 -0.04 -0.11 -0.04 0.93 -0.03 3hu7A1 LEU 102 HD23 -0.29 0.01 -0.03 -0.04 0.89 0.54 3hu7A1 PRO 103 HA -0.07 0.13 0.49 -0.51 4.44 4.48 3hu7A1 PRO 103 HB2 -0.09 0.01 -0.05 -0.04 2.28 2.11 3hu7A1 PRO 103 HB3 -0.06 -0.00 0.10 -0.04 2.02 2.01 3hu7A1 PRO 103 HG2 -0.05 -0.01 0.06 -0.04 2.03 1.98 3hu7A1 PRO 103 HG3 -0.04 0.04 0.06 -0.04 2.03 2.04 3hu7A1 PRO 103 HD2 -0.10 0.05 0.19 -0.04 3.68 3.78 3hu7A1 PRO 103 HD3 -0.06 0.19 0.08 -0.04 3.65 3.81 3hu7A1 PRO 104 HA -0.09 0.09 0.40 -0.51 4.44 4.32 3hu7A1 PRO 104 HB2 -0.02 -0.05 0.03 -0.04 2.28 2.19 3hu7A1 PRO 104 HB3 -0.03 -0.03 0.08 -0.04 2.02 2.00 3hu7A1 PRO 104 HG2 -0.02 -0.02 0.11 -0.04 2.03 2.06 3hu7A1 PRO 104 HG3 -0.04 0.07 0.08 -0.04 2.03 2.10 3hu7A1 PRO 104 HD2 -0.05 0.06 0.22 -0.04 3.68 3.87 3hu7A1 PRO 104 HD3 -0.06 0.32 0.14 -0.04 3.65 4.01 3hu7A1 GLY 105 H -0.07 0.15 0.13 -0.55 8.43 8.09 3hu7A1 GLY 105 HA2 -0.08 0.21 0.65 -0.51 4.01 4.28 3hu7A1 GLY 105 HA3 -0.06 0.03 0.36 -0.51 4.01 3.83 3hu7A1 HIS 106 H 0.04 0.12 -0.23 -0.55 8.41 7.79 3hu7A1 HIS 106 HA -0.03 0.01 0.26 -0.75 4.63 4.12 3hu7A1 HIS 106 HB2 -0.03 0.05 -0.39 -0.04 3.26 2.85 3hu7A1 HIS 106 HB3 -0.02 0.01 0.05 -0.04 3.20 3.19 3hu7A1 HIS 106 HD2 -0.02 -0.01 0.00 -0.04 6.97 6.90 3hu7A1 HIS 106 HE1 -0.01 -0.02 -0.01 -0.04 7.75 7.66 3hu7A1 SER 107 H 0.02 0.09 -0.28 -0.55 8.46 7.74 3hu7A1 SER 107 HA -0.00 0.16 0.70 -0.75 4.49 4.59 3hu7A1 SER 107 HB2 0.02 0.05 -0.01 -0.04 3.95 3.96 3hu7A1 SER 107 HB3 0.00 -0.05 0.02 -0.04 3.93 3.86 3hu7A1 GLU 108 H -0.02 0.05 0.09 -0.55 8.60 8.17 3hu7A1 GLU 108 HA -0.01 0.09 0.55 -0.75 4.29 4.17 3hu7A1 GLU 108 HB2 -0.04 0.04 -0.02 -0.04 2.09 2.03 3hu7A1 GLU 108 HB3 -0.01 -0.01 0.11 -0.04 1.99 2.04 3hu7A1 GLU 108 HG2 -0.01 -0.07 0.06 -0.04 2.34 2.28 3hu7A1 GLU 108 HG3 -0.01 0.03 0.02 -0.04 2.34 2.34 3hu7A1 ASN 109 H -0.03 0.12 0.14 -0.55 8.53 8.21 3hu7A1 ASN 109 HA -0.07 0.45 1.62 -0.75 4.76 6.02 3hu7A1 ASN 109 HB2 -0.02 -0.04 -0.10 -0.04 2.88 2.68 3hu7A1 ASN 109 HB3 -0.03 0.02 -0.11 -0.04 2.79 2.62 3hu7A1 ASN 109 HD21 -0.02 -0.03 -0.16 -0.04 7.03 6.77 3hu7A1 ASN 109 HD22 -0.02 0.08 -0.51 -0.04 7.74 7.24 3hu7A1 ARG 110 H -0.09 0.13 0.16 -0.55 8.46 8.11 3hu7A1 ARG 110 HA -0.30 0.24 0.93 -0.75 4.34 4.46 3hu7A1 ARG 110 HB2 -0.14 0.00 0.12 -0.04 1.90 1.83 3hu7A1 ARG 110 HB3 -0.34 0.30 0.17 -0.04 1.80 1.89 3hu7A1 ARG 110 HG2 -0.25 0.09 -0.06 -0.04 1.67 1.41 3hu7A1 ARG 110 HG3 -0.14 -0.20 -0.10 -0.04 1.67 1.19 3hu7A1 ARG 110 HD2 -0.12 -0.13 -0.02 -0.04 3.22 2.90 3hu7A1 ARG 110 HD3 -0.09 -0.16 -0.06 -0.04 3.22 2.88 3hu7A1 PRO 111 HA -0.09 0.03 0.46 -0.51 4.44 4.33 3hu7A1 PRO 111 HB2 -0.53 0.03 0.09 -0.04 2.28 1.83 3hu7A1 PRO 111 HB3 -0.22 -0.04 0.05 -0.04 2.02 1.76 3hu7A1 PRO 111 HG2 -0.15 0.05 0.06 -0.04 2.03 1.95 3hu7A1 PRO 111 HG3 -0.02 0.01 0.05 -0.04 2.03 2.04 3hu7A1 PRO 111 HD2 -0.54 0.20 0.28 -0.04 3.68 3.58 3hu7A1 PRO 111 HD3 -0.16 0.20 -0.00 -0.04 3.65 3.65 3hu7A1 PHE 112 H -0.20 0.28 -0.10 -0.55 8.34 7.77 3hu7A1 PHE 112 HA 0.05 0.24 0.54 -0.75 4.62 4.69 3hu7A1 PHE 112 HB2 0.08 0.17 0.01 -0.04 3.15 3.37 3hu7A1 PHE 112 HB3 0.04 -0.06 0.07 -0.04 3.06 3.07 3hu7A1 PHE 112 HD2 0.19 0.19 -0.12 -0.04 7.28 7.50 3hu7A1 PHE 112 HE2 0.09 -0.03 -0.08 -0.04 7.38 7.31 3hu7A1 PHE 112 HZ 0.12 -0.04 -0.12 -0.04 7.32 7.24 3hu7A1 GLY 113 H 0.01 0.27 -0.66 -0.55 8.43 7.51 3hu7A1 GLY 113 HA2 -0.00 0.04 0.30 -0.51 4.01 3.85 3hu7A1 GLY 113 HA3 0.04 -0.02 0.43 -0.51 4.01 3.95 3hu7A1 ASN 114 H 0.01 0.07 0.18 -0.55 8.53 8.24 3hu7A1 ASN 114 HA -0.02 0.21 0.53 -0.75 4.76 4.72 3hu7A1 ASN 114 HB2 0.00 -0.04 0.11 -0.04 2.88 2.91 3hu7A1 ASN 114 HB3 -0.01 0.05 0.18 -0.04 2.79 2.97 3hu7A1 ASN 114 HD21 0.02 -0.02 0.01 -0.04 7.03 7.00 3hu7A1 ASN 114 HD22 0.01 0.01 0.04 -0.04 7.74 7.76 3hu7A1 ALA 115 H 0.04 0.22 -0.38 -0.55 8.40 7.73 3hu7A1 ALA 115 HA 0.01 0.01 0.59 -0.75 4.34 4.21 3hu7A1 ALA 115 HB3 0.05 -0.02 0.02 -0.04 1.41 1.42 3hu7A1 VAL 116 H 0.01 0.14 0.10 -0.55 8.24 7.94 3hu7A1 VAL 116 HA 0.03 0.35 0.77 -0.75 4.13 4.52 3hu7A1 VAL 116 HB 0.01 -0.11 0.06 -0.04 2.12 2.04 3hu7A1 VAL 116 HG13 0.01 0.02 -0.26 -0.04 0.97 0.69 3hu7A1 VAL 116 HG23 -0.03 0.05 -0.37 -0.04 0.95 0.55 3hu7A1 LEU 117 H 0.10 0.63 0.19 -0.55 8.37 8.73 3hu7A1 LEU 117 HA 0.05 0.04 0.52 -0.75 4.35 4.20 3hu7A1 LEU 117 HB2 0.13 0.08 0.06 -0.04 1.64 1.88 3hu7A1 LEU 117 HB3 0.08 -0.09 0.14 -0.04 1.64 1.74 3hu7A1 LEU 117 HG 0.07 -0.01 -0.13 -0.04 1.64 1.53 3hu7A1 LEU 117 HD13 0.24 0.02 -0.19 -0.04 0.93 0.96 3hu7A1 LEU 117 HD23 0.21 -0.04 -0.05 -0.04 0.89 0.97 3hu7A1 ASP 118 H 0.07 0.61 0.38 -0.55 8.40 8.91 3hu7A1 ASP 118 HA 0.13 0.27 0.74 -0.75 4.63 5.02 3hu7A1 ASP 118 HB2 0.09 -0.10 0.02 -0.04 2.71 2.68 3hu7A1 ASP 118 HB3 0.11 0.00 0.16 -0.04 2.70 2.93 3hu7A1 GLY 119 H 0.12 0.17 -0.01 -0.55 8.43 8.16 3hu7A1 GLY 119 HA2 0.28 0.12 0.25 -0.51 4.01 4.14 3hu7A1 GLY 119 HA3 0.27 0.09 0.68 -0.51 4.01 4.54 3hu7A1 ILE 120 H 0.29 0.63 0.29 -0.55 8.25 8.92 3hu7A1 ILE 120 HA 0.13 0.23 1.00 -0.75 4.18 4.79 3hu7A1 ILE 120 HB 0.34 0.01 0.12 -0.04 1.89 2.33 3hu7A1 ILE 120 HG12 0.01 -0.02 -0.31 -0.04 1.49 1.13 3hu7A1 ILE 120 HG13 0.07 -0.01 -0.10 -0.04 1.21 1.13 3hu7A1 ILE 120 HG23 0.15 -0.02 -0.16 -0.04 0.93 0.86 3hu7A1 ILE 120 HD13 -0.03 0.02 -0.07 -0.04 0.88 0.76 3hu7A1 ASP 121 H 0.20 0.81 0.31 -0.55 8.40 9.17 3hu7A1 ASP 121 HA 0.30 0.17 0.72 -0.75 4.63 5.07 3hu7A1 ASP 121 HB2 0.31 0.01 -0.28 -0.04 2.71 2.72 3hu7A1 ASP 121 HB3 0.27 -0.05 -0.14 -0.04 2.70 2.75 3hu7A1 PHE 122 H 0.36 0.76 0.22 -0.55 8.34 9.13 3hu7A1 PHE 122 HA 0.09 0.08 0.67 -0.75 4.62 4.71 3hu7A1 PHE 122 HB2 -0.12 0.08 0.33 -0.04 3.15 3.40 3hu7A1 PHE 122 HB3 -0.05 -0.09 0.07 -0.04 3.06 2.95 3hu7A1 PHE 122 HD2 0.18 -0.02 -0.13 -0.04 7.28 7.27 3hu7A1 PHE 122 HE2 0.24 0.04 -0.05 -0.04 7.38 7.58 3hu7A1 PHE 122 HZ 0.15 -0.01 -0.17 -0.04 7.32 7.25 3hu7A1 HIS 123 H 0.19 0.69 0.12 -0.55 8.41 8.86 3hu7A1 HIS 123 HA 0.07 0.15 0.74 -0.75 4.63 4.83 3hu7A1 HIS 123 HB2 0.38 -0.04 -0.15 -0.04 3.26 3.41 3hu7A1 HIS 123 HB3 0.14 0.03 0.06 -0.04 3.20 3.40 3hu7A1 HIS 123 HD2 -0.19 -0.04 -0.20 -0.04 6.97 6.49 3hu7A1 HIS 123 HE1 -0.40 -0.02 -0.09 -0.04 7.75 7.19 3hu7A1 ILE 124 H -0.05 0.20 -0.33 -0.55 8.25 7.52 3hu7A1 ILE 124 HA -0.05 0.07 0.50 -0.75 4.18 3.94 3hu7A1 ILE 124 HB -0.22 -0.03 -0.01 -0.04 1.89 1.58 3hu7A1 ILE 124 HG12 -0.12 -0.09 -0.18 -0.04 1.49 1.05 3hu7A1 ILE 124 HG13 -0.81 0.03 -0.09 -0.04 1.21 0.30 3hu7A1 ILE 124 HG23 -0.32 0.01 -0.12 -0.04 0.93 0.45 3hu7A1 ILE 124 HD13 -0.16 0.02 -0.24 -0.04 0.88 0.46 3hu7A1 GLU 125 H 0.11 0.20 0.24 -0.55 8.60 8.61 3hu7A1 GLU 125 HA -0.04 0.10 0.79 -0.75 4.29 4.39 3hu7A1 GLU 125 HB2 0.07 0.03 -0.18 -0.04 2.09 1.97 3hu7A1 GLU 125 HB3 0.09 0.15 0.06 -0.04 1.99 2.26 3hu7A1 GLU 125 HG2 0.00 0.08 0.07 -0.04 2.34 2.46 3hu7A1 GLU 125 HG3 -0.01 -0.06 0.15 -0.04 2.34 2.39 3hu7A1 HIS 126 H -0.22 0.23 0.13 -0.55 8.41 8.01 3hu7A1 HIS 126 HA -0.02 0.08 0.53 -0.75 4.63 4.47 3hu7A1 HIS 126 HB2 -0.08 -0.06 0.13 -0.04 3.26 3.20 3hu7A1 HIS 126 HB3 -0.09 0.15 -0.12 -0.04 3.20 3.11 3hu7A1 HIS 126 HD2 -0.19 -0.07 -0.36 -0.04 6.97 6.31 3hu7A1 HIS 126 HE1 -0.87 0.21 0.04 -0.04 7.75 7.09 3hu7A1 GLY 127 H 0.13 0.17 0.09 -0.55 8.43 8.28 3hu7A1 GLY 127 HA2 0.14 0.01 0.36 -0.51 4.01 4.01 3hu7A1 GLY 127 HA3 0.19 0.16 0.77 -0.51 4.01 4.62 3hu7A1 GLY 128 H 0.09 0.01 -0.27 -0.55 8.43 7.71 3hu7A1 GLY 128 HA2 0.06 0.13 0.25 -0.51 4.01 3.94 3hu7A1 GLY 128 HA3 0.07 0.14 0.73 -0.51 4.01 4.45 3hu7A1 PRO 129 HA 0.18 0.20 0.51 -0.51 4.44 4.82 3hu7A1 PRO 129 HB2 0.07 0.03 0.11 -0.04 2.28 2.46 3hu7A1 PRO 129 HB3 0.09 -0.07 0.04 -0.04 2.02 2.04 3hu7A1 PRO 129 HG2 0.04 0.04 0.10 -0.04 2.03 2.16 3hu7A1 PRO 129 HG3 0.04 -0.08 -0.03 -0.04 2.03 1.92 3hu7A1 PRO 129 HD2 0.05 0.06 0.29 -0.04 3.68 4.04 3hu7A1 PRO 129 HD3 0.05 0.56 0.23 -0.04 3.65 4.45 3hu7A1 SER 130 H 0.11 0.13 -0.12 -0.55 8.46 8.03 3hu7A1 SER 130 HA 0.05 0.06 0.28 -0.75 4.49 4.13 3hu7A1 SER 130 HB2 -0.10 -0.31 0.30 -0.04 3.95 3.80 3hu7A1 SER 130 HB3 0.04 -0.01 -0.02 -0.04 3.93 3.91 3hu7A1 GLN 131 H -0.16 0.37 0.25 -0.55 8.47 8.39 3hu7A1 GLN 131 HA 0.00 0.21 0.96 -0.75 4.36 4.78 3hu7A1 GLN 131 HB2 -0.11 0.09 0.03 -0.04 2.15 2.11 3hu7A1 GLN 131 HB3 -0.04 -0.13 0.15 -0.04 2.02 1.96 3hu7A1 GLN 131 HG2 -0.03 0.11 -0.31 -0.04 2.40 2.13 3hu7A1 GLN 131 HG3 -0.03 -0.15 -0.68 -0.04 2.39 1.49 3hu7A1 GLN 131 HE21 0.00 0.02 -0.03 -0.04 6.97 6.92 3hu7A1 GLN 131 HE22 0.00 0.08 -0.07 -0.04 7.69 7.66 3hu7A1 TYR 132 H 0.11 0.66 0.01 -0.55 8.29 8.52 3hu7A1 TYR 132 HA 0.16 -0.00 0.37 -0.75 4.56 4.33 3hu7A1 TYR 132 HB2 0.17 0.26 0.17 -0.04 3.06 3.61 3hu7A1 TYR 132 HB3 0.35 -0.04 0.03 -0.04 2.98 3.28 3hu7A1 TYR 132 HD2 0.11 0.21 -0.01 -0.04 7.15 7.42 3hu7A1 TYR 132 HE2 0.10 0.03 -0.11 -0.04 6.85 6.83 3hu7A1 GLN 133 H 0.15 0.18 -0.35 -0.55 8.47 7.91 3hu7A1 GLN 133 HA 0.08 0.11 0.46 -0.75 4.36 4.26 3hu7A1 GLN 133 HB2 0.07 0.01 -0.02 -0.04 2.15 2.17 3hu7A1 GLN 133 HB3 0.05 -0.02 -0.00 -0.04 2.02 2.01 3hu7A1 GLN 133 HG2 0.01 0.03 -0.09 -0.04 2.40 2.31 3hu7A1 GLN 133 HG3 0.00 -0.01 -0.31 -0.04 2.39 2.03 3hu7A1 GLN 133 HE21 -0.04 0.08 0.01 -0.04 6.97 6.99 3hu7A1 GLN 133 HE22 -0.02 -0.01 -0.04 -0.04 7.69 7.58 3hu7A1 LEU 134 H 0.04 0.14 -0.19 -0.55 8.37 7.81 3hu7A1 LEU 134 HA -0.01 0.08 0.43 -0.75 4.35 4.10 3hu7A1 LEU 134 HB2 -0.00 -0.01 0.11 -0.04 1.64 1.70 3hu7A1 LEU 134 HB3 -0.00 0.10 0.15 -0.04 1.64 1.85 3hu7A1 LEU 134 HG -0.01 -0.01 -0.20 -0.04 1.64 1.38 3hu7A1 LEU 134 HD13 -0.03 0.01 0.04 -0.04 0.93 0.91 3hu7A1 LEU 134 HD23 -0.01 -0.01 0.06 -0.04 0.89 0.88 3hu7A1 LEU 135 H 0.06 0.44 -0.15 -0.55 8.37 8.17 3hu7A1 LEU 135 HA 0.05 0.04 0.41 -0.75 4.35 4.09 3hu7A1 LEU 135 HB2 0.02 -0.08 0.09 -0.04 1.64 1.63 3hu7A1 LEU 135 HB3 0.27 0.16 0.16 -0.04 1.64 2.19 3hu7A1 LEU 135 HG 0.28 0.05 -0.27 -0.04 1.64 1.66 3hu7A1 LEU 135 HD13 0.02 -0.01 0.01 -0.04 0.93 0.91 3hu7A1 LEU 135 HD23 -0.12 -0.01 -0.06 -0.04 0.89 0.65 3hu7A1 ALA 136 H 0.21 0.57 -0.11 -0.55 8.40 8.52 3hu7A1 ALA 136 HA 0.14 0.02 0.49 -0.75 4.34 4.23 3hu7A1 ALA 136 HB3 -0.20 0.02 0.09 -0.04 1.41 1.28 3hu7A1 ASN 137 H -0.02 0.59 -0.11 -0.55 8.53 8.44 3hu7A1 ASN 137 HA -0.09 0.06 0.45 -0.75 4.76 4.43 3hu7A1 ASN 137 HB2 -0.05 0.05 0.18 -0.04 2.88 3.02 3hu7A1 ASN 137 HB3 -0.07 -0.04 -0.02 -0.04 2.79 2.62 3hu7A1 ASN 137 HD21 -0.03 -0.03 -0.08 -0.04 7.03 6.85 3hu7A1 ASN 137 HD22 -0.03 -0.07 -0.05 -0.04 7.74 7.55 3hu7A1 ILE 138 H -0.07 0.48 -0.21 -0.55 8.25 7.91 3hu7A1 ILE 138 HA -0.31 0.07 0.55 -0.75 4.18 3.74 3hu7A1 ILE 138 HB -0.11 0.07 0.15 -0.04 1.89 1.96 3hu7A1 ILE 138 HG12 -0.15 -0.02 -0.01 -0.04 1.49 1.27 3hu7A1 ILE 138 HG13 -0.09 0.18 0.05 -0.04 1.21 1.32 3hu7A1 ILE 138 HG23 -0.47 -0.01 -0.09 -0.04 0.93 0.31 3hu7A1 ILE 138 HD13 -0.04 -0.04 -0.08 -0.04 0.88 0.68 3hu7A1 LEU 139 H -0.01 0.57 0.03 -0.55 8.37 8.41 3hu7A1 LEU 139 HA 0.16 0.03 0.52 -0.75 4.35 4.31 3hu7A1 LEU 139 HB2 0.20 0.06 0.13 -0.04 1.64 1.99 3hu7A1 LEU 139 HB3 0.43 0.02 -0.01 -0.04 1.64 2.03 3hu7A1 LEU 139 HG 0.18 0.05 0.09 -0.04 1.64 1.91 3hu7A1 LEU 139 HD13 0.35 -0.02 -0.08 -0.04 0.93 1.14 3hu7A1 LEU 139 HD23 0.26 -0.00 0.01 -0.04 0.89 1.12 3hu7A1 SER 140 H -0.05 0.63 -0.20 -0.55 8.46 8.30 3hu7A1 SER 140 HA -0.08 0.06 0.47 -0.75 4.49 4.18 3hu7A1 SER 140 HB2 -0.12 0.06 0.13 -0.04 3.95 3.98 3hu7A1 SER 140 HB3 -0.11 0.04 0.13 -0.04 3.93 3.95 3hu7A1 SER 141 H -0.18 0.41 -0.25 -0.55 8.46 7.89 3hu7A1 SER 141 HA -0.09 0.02 0.47 -0.75 4.49 4.13 3hu7A1 SER 141 HB2 -0.18 0.06 0.17 -0.04 3.95 3.96 3hu7A1 SER 141 HB3 -0.42 0.14 0.18 -0.04 3.93 3.79 3hu7A1 PHE 142 H -0.24 0.41 -0.25 -0.55 8.34 7.70 3hu7A1 PHE 142 HA -0.14 -0.00 0.45 -0.75 4.62 4.18 3hu7A1 PHE 142 HB2 0.00 0.18 0.17 -0.04 3.15 3.46 3hu7A1 PHE 142 HB3 -0.47 -0.03 -0.01 -0.04 3.06 2.51 3hu7A1 PHE 142 HD2 -0.32 -0.01 -0.02 -0.04 7.28 6.89 3hu7A1 PHE 142 HE2 -0.12 -0.04 -0.17 -0.04 7.38 7.00 3hu7A1 PHE 142 HZ -0.08 -0.08 -0.07 -0.04 7.32 7.05 3hu7A1 ARG 143 H 0.06 0.42 -0.15 -0.55 8.46 8.24 3hu7A1 ARG 143 HA -0.21 0.44 0.58 -0.75 4.34 4.39 3hu7A1 ARG 143 HB2 -0.53 0.01 0.19 -0.04 1.90 1.54 3hu7A1 ARG 143 HB3 -0.20 0.17 0.19 -0.04 1.80 1.92 3hu7A1 ARG 143 HG2 -0.24 -0.06 0.02 -0.04 1.67 1.35 3hu7A1 ARG 143 HG3 -0.64 -0.07 0.24 -0.04 1.67 1.15 3hu7A1 ARG 143 HD2 -0.25 0.01 0.14 -0.04 3.22 3.07 3hu7A1 ARG 143 HD3 -0.54 -0.03 0.05 -0.04 3.22 2.66 3hu7A1 LEU 144 H -0.03 0.36 -0.37 -0.55 8.37 7.78 3hu7A1 LEU 144 HA -0.02 0.07 0.44 -0.75 4.35 4.07 3hu7A1 LEU 144 HB2 -0.03 0.12 0.15 -0.04 1.64 1.84 3hu7A1 LEU 144 HB3 -0.02 -0.08 0.11 -0.04 1.64 1.61 3hu7A1 LEU 144 HG -0.06 0.05 -0.00 -0.04 1.64 1.59 3hu7A1 LEU 144 HD13 -0.05 -0.02 -0.03 -0.04 0.93 0.78 3hu7A1 LEU 144 HD23 -0.03 -0.02 0.02 -0.04 0.89 0.83 3hu7A1 ALA 145 H 0.09 0.39 -0.63 -0.55 8.40 7.70 3hu7A1 ALA 145 HA 0.06 0.10 0.72 -0.75 4.34 4.47 3hu7A1 ALA 145 HB3 0.14 0.00 0.11 -0.04 1.41 1.62 3hu7A1 GLY 146 H 0.07 0.33 -0.32 -0.55 8.43 7.97 3hu7A1 GLY 146 HA2 0.06 -0.02 0.25 -0.51 4.01 3.79 3hu7A1 GLY 146 HA3 0.08 0.15 0.87 -0.51 4.01 4.60 3hu7A1 THR 147 H 0.23 0.26 -0.02 -0.55 8.28 8.20 3hu7A1 THR 147 HA 0.18 0.08 0.65 -0.75 4.39 4.55 3hu7A1 THR 147 HB 0.71 -0.04 -0.01 -0.04 4.32 4.94 3hu7A1 THR 147 HG23 0.40 -0.01 -0.16 -0.04 1.22 1.41 3hu7A1 GLU 148 H 0.14 0.18 0.18 -0.55 8.60 8.55 3hu7A1 GLU 148 HA -0.02 0.10 0.54 -0.75 4.29 4.16 3hu7A1 GLU 148 HB2 0.07 0.00 0.21 -0.04 2.09 2.32 3hu7A1 GLU 148 HB3 0.06 -0.02 0.10 -0.04 1.99 2.09 3hu7A1 GLU 148 HG2 0.00 0.00 0.01 -0.04 2.34 2.32 3hu7A1 GLU 148 HG3 0.02 0.04 -0.04 -0.04 2.34 2.32 3hu7A1 PHE 149 H -0.36 0.29 0.27 -0.55 8.34 7.99 3hu7A1 PHE 149 HA 0.09 0.20 0.71 -0.75 4.62 4.86 3hu7A1 PHE 149 HB2 0.12 -0.10 -0.20 -0.04 3.15 2.93 3hu7A1 PHE 149 HB3 0.11 0.14 -0.28 -0.04 3.06 2.99 3hu7A1 PHE 149 HD2 0.16 0.07 -0.41 -0.04 7.28 7.06 3hu7A1 PHE 149 HE2 0.24 -0.06 -0.18 -0.04 7.38 7.34 3hu7A1 PHE 149 HZ 0.21 0.08 0.02 -0.04 7.32 7.59 3hu7A1 ALA 150 H 0.32 0.62 0.45 -0.55 8.40 9.23 3hu7A1 ALA 150 HA 0.08 0.16 0.73 -0.75 4.34 4.56 3hu7A1 ALA 150 HB3 0.18 -0.01 -0.01 -0.04 1.41 1.53 3hu7A1 LEU 151 H 0.09 0.22 0.28 -0.55 8.37 8.41 3hu7A1 LEU 151 HA 0.28 0.22 0.93 -0.75 4.35 5.03 3hu7A1 LEU 151 HB2 -0.01 0.11 0.21 -0.04 1.64 1.91 3hu7A1 LEU 151 HB3 0.05 -0.04 0.04 -0.04 1.64 1.64 3hu7A1 LEU 151 HG 0.20 0.06 -0.21 -0.04 1.64 1.66 3hu7A1 LEU 151 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 3hu7A1 LEU 151 HD23 0.43 -0.01 0.06 -0.04 0.89 1.33 3hu7A1 THR 152 H 0.21 0.62 0.33 -0.55 8.28 8.90 3hu7A1 THR 152 HA -0.19 0.32 0.98 -0.75 4.39 4.74 3hu7A1 THR 152 HB -0.96 0.03 0.02 -0.04 4.32 3.37 3hu7A1 THR 152 HG23 -0.17 -0.01 -0.30 -0.04 1.22 0.69 3hu7A1 ALA 153 H -0.75 0.45 0.34 -0.55 8.40 7.89 3hu7A1 ALA 153 HA -0.27 0.11 0.85 -0.75 4.34 4.27 3hu7A1 ALA 153 HB3 -1.28 0.01 -0.04 -0.04 1.41 0.06 3hu7A1 ALA 154 H -0.14 0.46 0.13 -0.55 8.40 8.30 3hu7A1 ALA 154 HA -0.07 0.41 0.89 -0.75 4.34 4.82 3hu7A1 ALA 154 HB3 0.12 -0.04 -0.01 -0.04 1.41 1.45 3hu7A1 PRO 155 HA -0.19 0.00 0.54 -0.51 4.44 4.29 3hu7A1 PRO 155 HB2 -0.02 0.20 0.05 -0.04 2.28 2.47 3hu7A1 PRO 155 HB3 -0.04 -0.11 0.04 -0.04 2.02 1.87 3hu7A1 PRO 155 HG2 -0.80 0.03 -0.09 -0.04 2.03 1.13 3hu7A1 PRO 155 HG3 -0.39 0.04 -0.10 -0.04 2.03 1.54 3hu7A1 PRO 155 HD2 -0.35 0.25 -0.18 -0.04 3.68 3.36 3hu7A1 PRO 155 HD3 -0.31 0.01 -0.28 -0.04 3.65 3.03 3hu7A1 GLN 156 H -0.14 0.01 0.19 -0.55 8.47 7.98 3hu7A1 GLN 156 HA -0.33 0.18 0.76 -0.75 4.36 4.21 3hu7A1 GLN 156 HB2 -0.06 -0.04 0.10 -0.04 2.15 2.11 3hu7A1 GLN 156 HB3 -0.13 -0.02 0.19 -0.04 2.02 2.01 3hu7A1 GLN 156 HG2 -0.21 0.07 0.08 -0.04 2.40 2.31 3hu7A1 GLN 156 HG3 -0.15 -0.04 0.13 -0.04 2.39 2.29 3hu7A1 GLN 156 HE21 -0.04 0.03 0.08 -0.04 6.97 7.00 3hu7A1 GLN 156 HE22 -0.06 -0.06 0.09 -0.04 7.69 7.62 3hu7A1 CYS 157 H -0.15 0.15 0.12 -0.55 8.50 8.07 3hu7A1 CYS 157 HA -0.28 0.16 0.08 -0.75 4.58 3.78 3hu7A1 CYS 157 HB2 0.08 0.03 0.06 -0.04 2.97 3.10 3hu7A1 CYS 157 HB3 -0.60 0.08 -0.18 -0.04 2.97 2.23 3hu7A1 VAL 158 H 0.13 -0.00 -0.27 -0.55 8.24 7.54 3hu7A1 VAL 158 HA 0.22 0.16 0.75 -0.75 4.13 4.51 3hu7A1 VAL 158 HB 0.06 -0.04 -0.01 -0.04 2.12 2.09 3hu7A1 VAL 158 HG13 0.05 0.04 -0.16 -0.04 0.97 0.85 3hu7A1 VAL 158 HG23 0.06 -0.02 -0.07 -0.04 0.95 0.88 3hu7A1 TYR 159 H 0.12 0.20 0.09 -0.55 8.29 8.15 3hu7A1 TYR 159 HA -0.35 -0.03 0.57 -0.75 4.56 3.99 3hu7A1 TYR 159 HB2 -1.22 0.05 -0.07 -0.04 3.06 1.78 3hu7A1 TYR 159 HB3 -0.43 0.02 0.03 -0.04 2.98 2.56 3hu7A1 TYR 159 HD2 -1.72 0.00 -0.24 -0.04 7.15 5.16 3hu7A1 TYR 159 HE2 -0.39 0.00 -0.11 -0.04 6.85 6.31 3hu7A1 PRO 160 HA -1.39 0.03 0.37 -0.51 4.44 2.95 3hu7A1 PRO 160 HB2 -0.37 -0.03 -0.09 -0.04 2.28 1.75 3hu7A1 PRO 160 HB3 -0.80 0.07 0.04 -0.04 2.02 1.30 3hu7A1 PRO 160 HG2 -0.18 -0.01 -0.03 -0.04 2.03 1.77 3hu7A1 PRO 160 HG3 -0.20 0.04 0.02 -0.04 2.03 1.85 3hu7A1 PRO 160 HD2 -0.12 0.09 0.34 -0.04 3.68 3.95 3hu7A1 PRO 160 HD3 -0.13 0.11 0.07 -0.04 3.65 3.66 3hu7A1 ASP 161 H -0.20 0.07 0.13 -0.55 8.40 7.85 3hu7A1 ASP 161 HA 0.03 0.32 0.53 -0.75 4.63 4.76 3hu7A1 ASP 161 HB2 0.27 0.23 0.13 -0.04 2.71 3.30 3hu7A1 ASP 161 HB3 0.06 -0.20 0.12 -0.04 2.70 2.64 3hu7A1 PRO 162 HA -0.03 0.13 0.38 -0.51 4.44 4.41 3hu7A1 PRO 162 HB2 0.00 -0.02 -0.05 -0.04 2.28 2.18 3hu7A1 PRO 162 HB3 -0.01 0.08 0.10 -0.04 2.02 2.14 3hu7A1 PRO 162 HG2 -0.01 -0.00 0.08 -0.04 2.03 2.06 3hu7A1 PRO 162 HG3 -0.01 0.08 0.08 -0.04 2.03 2.15 3hu7A1 PRO 162 HD2 -0.00 0.03 0.26 -0.04 3.68 3.93 3hu7A1 PRO 162 HD3 -0.01 0.33 0.22 -0.04 3.65 4.14 3hu7A1 ASN 163 H -0.01 0.10 -0.23 -0.55 8.53 7.84 3hu7A1 ASN 163 HA 0.04 0.09 0.54 -0.75 4.76 4.68 3hu7A1 ASN 163 HB2 -0.04 0.11 -0.05 -0.04 2.88 2.86 3hu7A1 ASN 163 HB3 -0.04 0.06 -0.21 -0.04 2.79 2.56 3hu7A1 ASN 163 HD21 0.01 0.13 -0.23 -0.04 7.03 6.90 3hu7A1 ASN 163 HD22 -0.03 0.05 -0.08 -0.04 7.74 7.65 3hu7A1 LEU 164 H -0.00 0.02 -0.14 -0.55 8.37 7.70 3hu7A1 LEU 164 HA 0.07 0.26 0.90 -0.75 4.35 4.83 3hu7A1 LEU 164 HB2 -0.02 0.01 -0.05 -0.04 1.64 1.55 3hu7A1 LEU 164 HB3 0.02 0.01 0.02 -0.04 1.64 1.65 3hu7A1 LEU 164 HG -0.06 -0.01 -0.35 -0.04 1.64 1.17 3hu7A1 LEU 164 HD13 -0.12 -0.03 -0.10 -0.04 0.93 0.64 3hu7A1 LEU 164 HD23 0.07 0.01 -0.08 -0.04 0.89 0.86 3hu7A1 GLY 165 H -0.01 0.46 -0.04 -0.55 8.43 8.30 3hu7A1 GLY 165 HA2 -0.07 0.01 0.38 -0.51 4.01 3.83 3hu7A1 GLY 165 HA3 -0.11 0.20 0.29 -0.51 4.01 3.88 3hu7A1 THR 166 H 0.01 0.14 -0.27 -0.55 8.28 7.60 3hu7A1 THR 166 HA -0.01 0.15 0.38 -0.75 4.39 4.15 3hu7A1 THR 166 HB 0.01 0.05 -0.00 -0.04 4.32 4.34 3hu7A1 THR 166 HG23 -0.01 0.02 -0.02 -0.04 1.22 1.17 3hu7A1 VAL 167 H 0.08 0.07 -0.35 -0.55 8.24 7.49 3hu7A1 VAL 167 HA 0.03 0.08 0.51 -0.75 4.13 4.00 3hu7A1 VAL 167 HB 0.23 0.09 0.03 -0.04 2.12 2.43 3hu7A1 VAL 167 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.83 3hu7A1 VAL 167 HG23 0.19 -0.04 -0.08 -0.04 0.95 0.98 3hu7A1 ILE 168 H 0.13 0.62 -0.08 -0.55 8.25 8.36 3hu7A1 ILE 168 HA 0.34 0.03 0.48 -0.75 4.18 4.27 3hu7A1 ILE 168 HB 0.10 0.03 0.11 -0.04 1.89 2.09 3hu7A1 ILE 168 HG12 0.05 0.02 -0.07 -0.04 1.49 1.45 3hu7A1 ILE 168 HG13 0.12 0.02 -0.05 -0.04 1.21 1.26 3hu7A1 ILE 168 HG23 0.21 0.01 -0.15 -0.04 0.93 0.96 3hu7A1 ILE 168 HD13 0.15 -0.03 -0.13 -0.04 0.88 0.83 3hu7A1 ASN 169 H 0.03 0.46 -0.16 -0.55 8.53 8.32 3hu7A1 ASN 169 HA 0.03 0.05 0.42 -0.75 4.76 4.51 3hu7A1 ASN 169 HB2 -0.00 0.10 0.11 -0.04 2.88 3.04 3hu7A1 ASN 169 HB3 -0.00 -0.01 0.02 -0.04 2.79 2.76 3hu7A1 ASN 169 HD21 -0.05 -0.05 -0.04 -0.04 7.03 6.84 3hu7A1 ASN 169 HD22 -0.03 -0.05 -0.02 -0.04 7.74 7.60 3hu7A1 SER 170 H -0.01 0.24 -0.59 -0.55 8.46 7.56 3hu7A1 SER 170 HA -0.03 0.09 0.66 -0.75 4.49 4.46 3hu7A1 SER 170 HB2 -0.07 -0.04 0.13 -0.04 3.95 3.93 3hu7A1 SER 170 HB3 -0.05 -0.04 0.12 -0.04 3.93 3.92 3hu7A1 ALA 171 H -0.01 0.49 -0.27 -0.55 8.40 8.06 3hu7A1 ALA 171 HA 0.01 0.42 0.43 -0.75 4.34 4.43 3hu7A1 ALA 171 HB3 -0.02 0.02 0.03 -0.04 1.41 1.40 3hu7A1 THR 172 H -0.22 0.06 -0.21 -0.55 8.28 7.36 3hu7A1 THR 172 HA -0.19 0.16 0.30 -0.75 4.39 3.90 3hu7A1 THR 172 HB -0.28 0.01 -0.05 -0.04 4.32 3.97 3hu7A1 THR 172 HG23 -1.03 -0.01 -0.11 -0.04 1.22 0.03 3hu7A1 PHE 173 H -0.14 0.07 -0.21 -0.55 8.34 7.51 3hu7A1 PHE 173 HA -0.13 0.10 0.51 -0.75 4.62 4.35 3hu7A1 PHE 173 HB2 -0.12 0.01 -0.07 -0.04 3.15 2.94 3hu7A1 PHE 173 HB3 -0.19 0.09 -0.07 -0.04 3.06 2.85 3hu7A1 PHE 173 HD2 -0.17 0.03 -0.33 -0.04 7.28 6.76 3hu7A1 PHE 173 HE2 -0.64 -0.03 -0.23 -0.04 7.38 6.44 3hu7A1 PHE 173 HZ -0.64 -0.07 -0.10 -0.04 7.32 6.46 3hu7A1 ASP 174 H 0.05 0.49 0.44 -0.55 8.40 8.84 3hu7A1 ASP 174 HA 0.02 0.09 0.55 -0.75 4.63 4.54 3hu7A1 ASP 174 HB2 0.02 -0.03 0.17 -0.04 2.71 2.83 3hu7A1 ASP 174 HB3 0.04 0.01 0.09 -0.04 2.70 2.79 3hu7A1 ALA 175 H -0.12 0.26 0.18 -0.55 8.40 8.17 3hu7A1 ALA 175 HA -0.07 0.30 0.65 -0.75 4.34 4.46 3hu7A1 ALA 175 HB3 -0.29 0.00 -0.15 -0.04 1.41 0.94 3hu7A1 ILE 176 H -0.18 0.61 0.26 -0.55 8.25 8.39 3hu7A1 ILE 176 HA -0.72 0.12 0.99 -0.75 4.18 3.82 3hu7A1 ILE 176 HB -0.08 0.08 0.07 -0.04 1.89 1.91 3hu7A1 ILE 176 HG12 -0.20 0.01 -0.70 -0.04 1.49 0.56 3hu7A1 ILE 176 HG13 -0.00 0.07 -0.25 -0.04 1.21 0.99 3hu7A1 ILE 176 HG23 -0.26 -0.03 -0.25 -0.04 0.93 0.34 3hu7A1 ILE 176 HD13 -0.31 -0.04 -0.10 -0.04 0.88 0.39 3hu7A1 TRP 177 H -0.87 0.56 0.24 -0.55 7.97 7.35 3hu7A1 TRP 177 HA 0.03 0.29 0.99 -0.75 4.62 5.17 3hu7A1 TRP 177 HB2 -0.01 -0.04 -0.18 -0.04 3.23 2.96 3hu7A1 TRP 177 HB3 -0.04 -0.00 -0.18 -0.04 3.23 2.97 3hu7A1 TRP 177 HD1 0.03 -0.04 -0.08 -0.04 7.22 7.08 3hu7A1 TRP 177 HE1 -0.03 -0.08 -0.32 -0.04 10.20 9.72 3hu7A1 TRP 177 HE3 -1.31 0.05 -0.34 -0.04 7.59 5.95 3hu7A1 TRP 177 HZ2 -0.22 -0.05 -0.28 -0.04 7.44 6.85 3hu7A1 TRP 177 HZ3 -1.73 0.09 -0.27 -0.04 7.13 5.19 3hu7A1 TRP 177 HH2 -0.72 0.04 -0.26 -0.04 7.19 6.22 3hu7A1 VAL 178 H -0.11 0.48 0.13 -0.55 8.24 8.19 3hu7A1 VAL 178 HA -0.64 0.20 0.47 -0.75 4.13 3.41 3hu7A1 VAL 178 HB -1.00 -0.05 0.05 -0.04 2.12 1.08 3hu7A1 VAL 178 HG13 -1.52 0.03 -0.38 -0.04 0.97 -0.93 3hu7A1 VAL 178 HG23 -1.10 0.01 -0.10 -0.04 0.95 -0.27 3hu7A1 GLN 179 H -0.53 0.66 0.16 -0.55 8.47 8.21 3hu7A1 GLN 179 HA -0.34 0.06 0.58 -0.75 4.36 3.91 3hu7A1 GLN 179 HB2 -0.68 -0.09 0.24 -0.04 2.15 1.57 3hu7A1 GLN 179 HB3 -1.75 -0.05 -0.03 -0.04 2.02 0.15 3hu7A1 GLN 179 HG2 -0.21 -0.06 -0.14 -0.04 2.40 1.95 3hu7A1 GLN 179 HG3 -0.36 0.25 -0.12 -0.04 2.39 2.12 3hu7A1 GLN 179 HE21 -0.44 -0.08 -0.11 -0.04 6.97 6.29 3hu7A1 GLN 179 HE22 -0.44 0.36 -0.29 -0.04 7.69 7.27 3hu7A1 PHE 180 H -0.11 0.64 0.24 -0.55 8.34 8.55 3hu7A1 PHE 180 HA -0.09 0.10 0.67 -0.75 4.62 4.55 3hu7A1 PHE 180 HB2 -0.35 0.21 0.27 -0.04 3.15 3.25 3hu7A1 PHE 180 HB3 0.02 -0.13 0.28 -0.04 3.06 3.19 3hu7A1 PHE 180 HD2 -0.14 0.10 0.12 -0.04 7.28 7.32 3hu7A1 PHE 180 HE2 0.15 0.01 -0.02 -0.04 7.38 7.48 3hu7A1 PHE 180 HZ 0.25 0.01 -0.11 -0.04 7.32 7.43 3hu7A1 TYR 181 H -0.31 0.53 -0.35 -0.55 8.29 7.61 3hu7A1 TYR 181 HA 0.11 0.02 0.41 -0.75 4.56 4.34 3hu7A1 TYR 181 HB2 0.06 0.02 0.15 -0.04 3.06 3.25 3hu7A1 TYR 181 HB3 0.13 0.19 0.04 -0.04 2.98 3.30 3hu7A1 TYR 181 HD2 -0.04 0.11 -0.38 -0.04 7.15 6.80 3hu7A1 TYR 181 HE2 -0.27 0.00 -0.27 -0.04 6.85 6.27 3hu7A1 ASN 182 H 0.20 0.49 0.13 -0.55 8.53 8.80 3hu7A1 ASN 182 HA 0.08 -0.07 0.34 -0.75 4.76 4.35 3hu7A1 ASN 182 HB2 -0.04 0.21 0.04 -0.04 2.88 3.05 3hu7A1 ASN 182 HB3 0.00 0.02 0.27 -0.04 2.79 3.05 3hu7A1 ASN 182 HD21 0.05 0.03 0.04 -0.04 7.03 7.11 3hu7A1 ASN 182 HD22 0.01 0.09 -0.03 -0.04 7.74 7.76 3hu7A1 ASN 183 H 0.06 0.09 -0.62 -0.55 8.53 7.52 3hu7A1 ASN 183 HA 0.02 0.17 0.34 -0.75 4.76 4.54 3hu7A1 ASN 183 HB2 -0.02 0.17 -0.02 -0.04 2.88 2.98 3hu7A1 ASN 183 HB3 0.02 -0.03 0.01 -0.04 2.79 2.75 3hu7A1 ASN 183 HD21 0.02 0.04 -0.02 -0.04 7.03 7.03 3hu7A1 ASN 183 HD22 0.00 0.02 0.01 -0.04 7.74 7.73 3hu7A1 PRO 184 HA 0.06 0.12 0.27 -0.51 4.44 4.38 3hu7A1 PRO 184 HB2 0.03 0.07 -0.05 -0.04 2.28 2.29 3hu7A1 PRO 184 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 3hu7A1 PRO 184 HG2 0.02 0.09 0.01 -0.04 2.03 2.12 3hu7A1 PRO 184 HG3 0.04 0.01 -0.02 -0.04 2.03 2.01 3hu7A1 PRO 184 HD2 0.03 0.14 0.10 -0.04 3.68 3.90 3hu7A1 PRO 184 HD3 0.03 0.16 -0.02 -0.04 3.65 3.79 3hu7A1 GLN 185 H 0.05 0.06 -0.43 -0.55 8.47 7.60 3hu7A1 GLN 185 HA 0.05 0.11 0.42 -0.75 4.36 4.19 3hu7A1 GLN 185 HB2 0.05 -0.04 -0.03 -0.04 2.15 2.09 3hu7A1 GLN 185 HB3 0.06 0.06 -0.01 -0.04 2.02 2.09 3hu7A1 GLN 185 HG2 0.03 -0.06 -0.03 -0.04 2.40 2.30 3hu7A1 GLN 185 HG3 0.03 0.02 -0.01 -0.04 2.39 2.39 3hu7A1 GLN 185 HE21 0.03 0.00 0.01 -0.04 6.97 6.97 3hu7A1 GLN 185 HE22 0.04 0.02 0.02 -0.04 7.69 7.73 3hu7A1 CYS 186 H 0.10 0.31 -0.37 -0.55 8.50 7.99 3hu7A1 CYS 186 HA 0.17 0.28 0.70 -0.75 4.58 4.98 3hu7A1 CYS 186 HB2 0.33 0.04 0.10 -0.04 2.97 3.39 3hu7A1 CYS 186 HB3 0.21 0.08 -0.18 -0.04 2.97 3.03 3hu7A1 SER 187 H 0.13 0.19 -0.09 -0.55 8.46 8.14 3hu7A1 SER 187 HA 0.27 0.24 0.89 -0.75 4.49 5.14 3hu7A1 SER 187 HB2 0.28 0.10 -0.02 -0.04 3.95 4.27 3hu7A1 SER 187 HB3 0.26 -0.06 -0.53 -0.04 3.93 3.55 3hu7A1 TYR 188 H 0.34 0.26 0.14 -0.55 8.29 8.48 3hu7A1 TYR 188 HA 0.05 0.01 0.34 -0.75 4.56 4.21 3hu7A1 TYR 188 HB2 0.07 0.03 0.07 -0.04 3.06 3.20 3hu7A1 TYR 188 HB3 0.09 0.16 -0.06 -0.04 2.98 3.13 3hu7A1 TYR 188 HD2 -0.00 0.14 -0.18 -0.04 7.15 7.06 3hu7A1 TYR 188 HE2 0.06 0.03 -0.08 -0.04 6.85 6.82 3hu7A1 SER 189 H -0.71 0.23 0.13 -0.55 8.46 7.57 3hu7A1 SER 189 HA -0.27 0.01 0.52 -0.75 4.49 4.00 3hu7A1 SER 189 HB2 -0.05 -0.03 0.13 -0.04 3.95 3.96 3hu7A1 SER 189 HB3 -0.06 0.17 -0.32 -0.04 3.93 3.67 3hu7A1 SER 190 H -0.17 0.19 0.14 -0.55 8.46 8.07 3hu7A1 SER 190 HA -0.07 0.05 0.35 -0.75 4.49 4.07 3hu7A1 SER 190 HB2 -0.10 0.24 -0.19 -0.04 3.95 3.87 3hu7A1 SER 190 HB3 -0.05 0.04 0.13 -0.04 3.93 4.01 3hu7A1 GLY 191 H -0.47 -0.01 -0.38 -0.55 8.43 7.02 3hu7A1 GLY 191 HA2 0.27 -0.02 0.28 -0.51 4.01 4.03 3hu7A1 GLY 191 HA3 0.07 0.15 0.59 -0.51 4.01 4.31 3hu7A1 ASN 192 H -0.40 0.06 -0.25 -0.55 8.53 7.39 3hu7A1 ASN 192 HA 0.03 0.11 0.72 -0.75 4.76 4.86 3hu7A1 ASN 192 HB2 -0.04 0.10 -0.13 -0.04 2.88 2.77 3hu7A1 ASN 192 HB3 -0.11 0.41 0.26 -0.04 2.79 3.31 3hu7A1 ASN 192 HD21 -0.00 -0.01 0.01 -0.04 7.03 6.98 3hu7A1 ASN 192 HD22 -0.03 0.05 0.01 -0.04 7.74 7.74 3hu7A1 ALA 193 H 0.06 0.28 0.01 -0.55 8.40 8.20 3hu7A1 ALA 193 HA 0.12 0.08 0.53 -0.75 4.34 4.31 3hu7A1 ALA 193 HB3 -0.26 0.04 0.04 -0.04 1.41 1.20 3hu7A1 GLU 194 H 0.01 0.11 -0.51 -0.55 8.60 7.66 3hu7A1 GLU 194 HA 0.02 0.09 0.28 -0.75 4.29 3.92 3hu7A1 GLU 194 HB2 0.02 0.03 0.06 -0.04 2.09 2.15 3hu7A1 GLU 194 HB3 0.02 0.01 0.05 -0.04 1.99 2.03 3hu7A1 GLU 194 HG2 0.03 0.04 -0.22 -0.04 2.34 2.14 3hu7A1 GLU 194 HG3 0.03 0.00 -0.02 -0.04 2.34 2.31 3hu7A1 ALA 195 H 0.03 0.18 -0.16 -0.55 8.40 7.89 3hu7A1 ALA 195 HA 0.07 0.08 0.38 -0.75 4.34 4.11 3hu7A1 ALA 195 HB3 0.06 0.08 -0.10 -0.04 1.41 1.41 3hu7A1 LEU 196 H 0.06 0.04 -0.59 -0.55 8.37 7.34 3hu7A1 LEU 196 HA 0.11 0.27 0.24 -0.75 4.35 4.21 3hu7A1 LEU 196 HB2 0.13 -0.12 -0.23 -0.04 1.64 1.38 3hu7A1 LEU 196 HB3 0.05 0.05 0.06 -0.04 1.64 1.76 3hu7A1 LEU 196 HG -0.16 0.02 -0.25 -0.04 1.64 1.22 3hu7A1 LEU 196 HD13 -0.28 0.01 0.10 -0.04 0.93 0.72 3hu7A1 LEU 196 HD23 0.08 -0.02 -0.02 -0.04 0.89 0.88 3hu7A1 MET 197 H 0.03 0.69 -0.00 -0.55 8.47 8.63 3hu7A1 MET 197 HA 0.12 0.02 0.32 -0.75 4.52 4.23 3hu7A1 MET 197 HB2 0.03 0.04 0.09 -0.04 2.15 2.27 3hu7A1 MET 197 HB3 0.08 0.00 0.01 -0.04 2.03 2.08 3hu7A1 MET 197 HG2 -0.03 0.02 -0.01 -0.04 2.63 2.57 3hu7A1 MET 197 HG3 -0.08 0.02 0.01 -0.04 2.56 2.47 3hu7A1 MET 197 HE3 0.00 -0.03 -0.18 -0.04 2.10 1.85 3hu7A1 ASN 198 H 0.08 0.53 -0.22 -0.55 8.53 8.39 3hu7A1 ASN 198 HA 0.07 0.03 0.41 -0.75 4.76 4.51 3hu7A1 ASN 198 HB2 0.08 0.10 0.11 -0.04 2.88 3.13 3hu7A1 ASN 198 HB3 0.05 -0.04 0.03 -0.04 2.79 2.79 3hu7A1 ASN 198 HD21 0.03 -0.08 -0.07 -0.04 7.03 6.87 3hu7A1 ASN 198 HD22 0.04 -0.01 -0.08 -0.04 7.74 7.65 3hu7A1 ALA 199 H 0.19 0.44 -0.21 -0.55 8.40 8.27 3hu7A1 ALA 199 HA 0.25 -0.00 0.53 -0.75 4.34 4.35 3hu7A1 ALA 199 HB3 0.49 0.05 0.20 -0.04 1.41 2.11 3hu7A1 TRP 200 H 0.33 0.66 0.03 -0.55 7.97 8.45 3hu7A1 TRP 200 HA 0.35 -0.02 0.41 -0.75 4.62 4.60 3hu7A1 TRP 200 HB2 -0.24 -0.04 0.08 -0.04 3.23 2.99 3hu7A1 TRP 200 HB3 -0.05 0.08 0.14 -0.04 3.23 3.35 3hu7A1 TRP 200 HD1 -0.01 0.02 -0.12 -0.04 7.22 7.07 3hu7A1 TRP 200 HE1 -0.02 0.07 -0.19 -0.04 10.20 10.02 3hu7A1 TRP 200 HE3 0.25 -0.04 -0.02 -0.04 7.59 7.74 3hu7A1 TRP 200 HZ2 0.04 0.12 0.06 -0.04 7.44 7.62 3hu7A1 TRP 200 HZ3 0.21 0.01 -0.20 -0.04 7.13 7.10 3hu7A1 TRP 200 HH2 0.21 0.09 -0.04 -0.04 7.19 7.41 3hu7A1 ARG 201 H 0.11 0.54 -0.27 -0.55 8.46 8.29 3hu7A1 ARG 201 HA -0.43 0.02 0.34 -0.75 4.34 3.51 3hu7A1 ARG 201 HB2 -0.01 0.10 0.14 -0.04 1.90 2.09 3hu7A1 ARG 201 HB3 -0.08 -0.05 -0.02 -0.04 1.80 1.61 3hu7A1 ARG 201 HG2 0.02 -0.02 0.00 -0.04 1.67 1.62 3hu7A1 ARG 201 HG3 0.15 0.08 0.05 -0.04 1.67 1.91 3hu7A1 ARG 201 HD2 0.05 -0.01 -0.08 -0.04 3.22 3.14 3hu7A1 ARG 201 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.14 3hu7A1 GLU 202 H -0.05 0.45 -0.13 -0.55 8.60 8.32 3hu7A1 GLU 202 HA -0.26 0.02 0.53 -0.75 4.29 3.82 3hu7A1 GLU 202 HB2 -0.13 0.04 0.15 -0.04 2.09 2.11 3hu7A1 GLU 202 HB3 -0.19 0.09 0.18 -0.04 1.99 2.03 3hu7A1 GLU 202 HG2 -0.91 -0.05 -0.16 -0.04 2.34 1.17 3hu7A1 GLU 202 HG3 -0.47 -0.02 0.04 -0.04 2.34 1.84 3hu7A1 TRP 203 H 0.10 0.67 -0.04 -0.55 7.97 8.16 3hu7A1 TRP 203 HA -0.24 -0.07 0.35 -0.75 4.62 3.90 3hu7A1 TRP 203 HB2 0.04 0.11 0.12 -0.04 3.23 3.46 3hu7A1 TRP 203 HB3 -0.01 -0.02 -0.06 -0.04 3.23 3.09 3hu7A1 TRP 203 HD1 0.20 0.15 -0.08 -0.04 7.22 7.45 3hu7A1 TRP 203 HE1 0.06 0.31 -0.30 -0.04 10.20 10.23 3hu7A1 TRP 203 HE3 0.07 0.04 -0.05 -0.04 7.59 7.60 3hu7A1 TRP 203 HZ2 -0.03 0.15 -0.35 -0.04 7.44 7.17 3hu7A1 TRP 203 HZ3 0.04 -0.03 -0.09 -0.04 7.13 7.01 3hu7A1 TRP 203 HH2 -0.08 -0.18 -0.05 -0.04 7.19 6.85 3hu7A1 SER 204 H -0.56 0.73 -0.06 -0.55 8.46 8.02 3hu7A1 SER 204 HA -0.34 0.04 0.29 -0.75 4.49 3.72 3hu7A1 SER 204 HB2 -0.67 -0.08 0.04 -0.04 3.95 3.20 3hu7A1 SER 204 HB3 -2.19 -0.04 0.05 -0.04 3.93 1.71 3hu7A1 MET 205 H -0.31 0.33 -0.41 -0.55 8.47 7.53 3hu7A1 MET 205 HA -0.11 0.12 0.74 -0.75 4.52 4.51 3hu7A1 MET 205 HB2 -0.19 0.01 0.10 -0.04 2.15 2.03 3hu7A1 MET 205 HB3 -0.10 -0.09 0.05 -0.04 2.03 1.85 3hu7A1 MET 205 HG2 -0.14 -0.06 -0.04 -0.04 2.63 2.34 3hu7A1 MET 205 HG3 -0.22 0.54 0.15 -0.04 2.56 3.00 3hu7A1 MET 205 HE3 -0.02 -0.01 -0.01 -0.04 2.10 2.02 3hu7A1 LYS 206 H -0.32 0.50 0.02 -0.55 8.42 8.06 3hu7A1 LYS 206 HA -0.13 0.18 0.77 -0.75 4.32 4.38 3hu7A1 LYS 206 HB2 -0.97 0.04 0.04 -0.04 1.87 0.95 3hu7A1 LYS 206 HB3 -0.31 -0.11 -0.00 -0.04 1.79 1.33 3hu7A1 LYS 206 HG2 -0.19 0.00 -0.08 -0.04 1.46 1.15 3hu7A1 LYS 206 HG3 -0.33 0.03 -0.04 -0.04 1.46 1.09 3hu7A1 LYS 206 HD2 -0.66 -0.02 -0.04 -0.04 1.69 0.93 3hu7A1 LYS 206 HD3 -0.19 -0.05 -0.04 -0.04 1.68 1.36 3hu7A1 LYS 206 HE2 -0.20 0.02 -0.02 -0.04 2.99 2.75 3hu7A1 LYS 206 HE3 -0.14 -0.04 -0.03 -0.04 2.99 2.73 3hu7A1 ALA 207 H -0.10 0.53 0.06 -0.55 8.40 8.34 3hu7A1 ALA 207 HA 0.16 -0.11 0.33 -0.75 4.34 3.97 3hu7A1 ALA 207 HB3 0.32 -0.01 -0.01 -0.04 1.41 1.66 3hu7A1 ARG 208 H 0.10 0.03 0.05 -0.55 8.46 8.10 3hu7A1 ARG 208 HA 0.05 0.20 0.63 -0.75 4.34 4.46 3hu7A1 ARG 208 HB2 0.05 0.00 0.25 -0.04 1.90 2.16 3hu7A1 ARG 208 HB3 0.03 0.00 0.11 -0.04 1.80 1.90 3hu7A1 ARG 208 HG2 0.03 0.08 -0.03 -0.04 1.67 1.70 3hu7A1 ARG 208 HG3 0.05 -0.03 0.09 -0.04 1.67 1.73 3hu7A1 ARG 208 HD2 0.01 -0.08 0.06 -0.04 3.22 3.18 3hu7A1 ARG 208 HD3 0.01 0.24 0.12 -0.04 3.22 3.55 3hu7A1 THR 209 H 0.07 0.64 0.03 -0.55 8.28 8.48 3hu7A1 THR 209 HA 0.05 0.22 0.55 -0.75 4.39 4.46 3hu7A1 THR 209 HB 0.09 -0.05 -0.38 -0.04 4.32 3.94 3hu7A1 THR 209 HG23 0.08 -0.03 -0.40 -0.04 1.22 0.83 3hu7A1 LYS 210 H 0.05 0.25 0.13 -0.55 8.42 8.30 3hu7A1 LYS 210 HA 0.08 0.10 0.60 -0.75 4.32 4.35 3hu7A1 LYS 210 HB2 0.05 0.10 0.17 -0.04 1.87 2.15 3hu7A1 LYS 210 HB3 0.06 0.00 0.08 -0.04 1.79 1.89 3hu7A1 LYS 210 HG2 0.03 0.02 0.05 -0.04 1.46 1.52 3hu7A1 LYS 210 HG3 0.04 -0.03 0.04 -0.04 1.46 1.47 3hu7A1 LYS 210 HD2 0.05 0.00 0.03 -0.04 1.69 1.74 3hu7A1 LYS 210 HD3 0.05 0.03 -0.15 -0.04 1.68 1.57 3hu7A1 LYS 210 HE2 0.02 0.01 -0.07 -0.04 2.99 2.91 3hu7A1 LYS 210 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.94 3hu7A1 LYS 211 H 0.06 0.13 -0.06 -0.55 8.42 7.98 3hu7A1 LYS 211 HA 0.04 0.39 0.91 -0.75 4.32 4.91 3hu7A1 LYS 211 HB2 0.13 -0.04 0.12 -0.04 1.87 2.04 3hu7A1 LYS 211 HB3 0.07 -0.07 -0.09 -0.04 1.79 1.65 3hu7A1 LYS 211 HG2 0.07 -0.05 -0.38 -0.04 1.46 1.06 3hu7A1 LYS 211 HG3 0.11 -0.07 -0.08 -0.04 1.46 1.38 3hu7A1 LYS 211 HD2 -0.11 -0.05 -0.08 -0.04 1.69 1.41 3hu7A1 LYS 211 HD3 -0.01 0.18 -0.13 -0.04 1.68 1.68 3hu7A1 LYS 211 HE2 0.05 -0.13 -0.04 -0.04 2.99 2.83 3hu7A1 LYS 211 HE3 0.01 0.01 -0.01 -0.04 2.99 2.97 3hu7A1 VAL 212 H 0.08 0.95 0.31 -0.55 8.24 9.03 3hu7A1 VAL 212 HA 0.15 0.15 1.03 -0.75 4.13 4.71 3hu7A1 VAL 212 HB 0.28 0.00 0.04 -0.04 2.12 2.40 3hu7A1 VAL 212 HG13 0.29 -0.04 -0.17 -0.04 0.97 1.01 3hu7A1 VAL 212 HG23 0.09 0.02 -0.23 -0.04 0.95 0.80 3hu7A1 PHE 213 H 0.43 0.76 0.38 -0.55 8.34 9.36 3hu7A1 PHE 213 HA 0.09 0.21 0.91 -0.75 4.62 5.08 3hu7A1 PHE 213 HB2 0.42 -0.07 -0.07 -0.04 3.15 3.39 3hu7A1 PHE 213 HB3 0.25 -0.06 -0.43 -0.04 3.06 2.79 3hu7A1 PHE 213 HD2 0.08 0.03 -0.49 -0.04 7.28 6.85 3hu7A1 PHE 213 HE2 0.05 0.03 -0.29 -0.04 7.38 7.13 3hu7A1 PHE 213 HZ 0.12 0.04 -0.18 -0.04 7.32 7.26 3hu7A1 LEU 214 H 0.26 0.53 0.36 -0.55 8.37 8.97 3hu7A1 LEU 214 HA 0.40 0.11 0.84 -0.75 4.35 4.95 3hu7A1 LEU 214 HB2 0.22 0.01 0.21 -0.04 1.64 2.03 3hu7A1 LEU 214 HB3 -0.27 -0.00 -0.00 -0.04 1.64 1.32 3hu7A1 LEU 214 HG 0.20 0.02 -0.05 -0.04 1.64 1.77 3hu7A1 LEU 214 HD13 -0.31 0.02 0.05 -0.04 0.93 0.65 3hu7A1 LEU 214 HD23 -0.52 -0.01 -0.01 -0.04 0.89 0.30 3hu7A1 GLY 215 H 0.09 0.54 0.29 -0.55 8.43 8.81 3hu7A1 GLY 215 HA2 0.16 0.21 0.79 -0.51 4.01 4.67 3hu7A1 GLY 215 HA3 0.18 0.01 0.19 -0.51 4.01 3.88 3hu7A1 PHE 216 H 0.23 0.68 0.40 -0.55 8.34 9.09 3hu7A1 PHE 216 HA 0.22 0.22 0.79 -0.75 4.62 5.09 3hu7A1 PHE 216 HB2 -0.05 -0.01 0.03 -0.04 3.15 3.08 3hu7A1 PHE 216 HB3 -0.14 0.09 0.03 -0.04 3.06 3.00 3hu7A1 PHE 216 HD2 0.14 0.08 0.03 -0.04 7.28 7.49 3hu7A1 PHE 216 HE2 0.04 -0.02 -0.01 -0.04 7.38 7.35 3hu7A1 PHE 216 HZ -0.14 -0.03 -0.03 -0.04 7.32 7.08 3hu7A1 PRO 217 HA -0.04 0.19 0.78 -0.51 4.44 4.86 3hu7A1 PRO 217 HB2 0.12 -0.03 -0.10 -0.04 2.28 2.22 3hu7A1 PRO 217 HB3 -0.05 0.03 -0.04 -0.04 2.02 1.92 3hu7A1 PRO 217 HG2 0.16 -0.06 -0.29 -0.04 2.03 1.80 3hu7A1 PRO 217 HG3 -0.09 0.04 -0.09 -0.04 2.03 1.85 3hu7A1 PRO 217 HD2 0.22 0.11 0.16 -0.04 3.68 4.13 3hu7A1 PRO 217 HD3 0.27 0.27 0.10 -0.04 3.65 4.25 3hu7A1 ALA 218 H 0.04 0.65 0.24 -0.55 8.40 8.79 3hu7A1 ALA 218 HA -0.43 0.18 0.42 -0.75 4.34 3.76 3hu7A1 ALA 218 HB3 0.13 -0.06 -0.11 -0.04 1.41 1.33 3hu7A1 HIS 219 H 0.05 0.20 -0.32 -0.55 8.41 7.80 3hu7A1 HIS 219 HA -0.27 0.22 0.61 -0.75 4.63 4.43 3hu7A1 HIS 219 HB2 0.09 0.17 -0.33 -0.04 3.26 3.14 3hu7A1 HIS 219 HB3 -0.51 -0.13 -0.08 -0.04 3.20 2.44 3hu7A1 HIS 219 HD2 0.11 0.07 0.01 -0.04 6.97 7.12 3hu7A1 HIS 219 HE1 -0.19 0.06 -0.01 -0.04 7.75 7.56 3hu7A1 PRO 220 HA -0.29 0.05 0.39 -0.51 4.44 4.08 3hu7A1 PRO 220 HB2 -0.32 0.06 -0.04 -0.04 2.28 1.95 3hu7A1 PRO 220 HB3 -0.28 0.05 0.08 -0.04 2.02 1.83 3hu7A1 PRO 220 HG2 -0.61 0.08 0.06 -0.04 2.03 1.52 3hu7A1 PRO 220 HG3 -0.92 0.05 0.04 -0.04 2.03 1.16 3hu7A1 PRO 220 HD2 -1.96 0.13 0.19 -0.04 3.68 2.00 3hu7A1 PRO 220 HD3 -1.55 0.18 0.13 -0.04 3.65 2.37 3hu7A1 ASP 221 H 0.21 0.08 -0.29 -0.55 8.40 7.85 3hu7A1 ASP 221 HA -0.19 0.21 0.62 -0.75 4.63 4.52 3hu7A1 ASP 221 HB2 -1.11 -0.05 -0.02 -0.04 2.71 1.49 3hu7A1 ASP 221 HB3 -0.54 0.02 0.01 -0.04 2.70 2.15 3hu7A1 ALA 222 H -0.46 0.41 -0.41 -0.55 8.40 7.40 3hu7A1 ALA 222 HA -0.56 0.08 0.39 -0.75 4.34 3.50 3hu7A1 ALA 222 HB3 -0.26 -0.02 0.08 -0.04 1.41 1.17 3hu7A1 ALA 223 H -0.07 0.30 -0.22 -0.55 8.40 7.87 3hu7A1 ALA 223 HA 0.06 0.17 0.67 -0.75 4.34 4.49 3hu7A1 ALA 223 HB3 0.02 -0.02 -0.05 -0.04 1.41 1.33 3hu7A1 GLY 224 H 0.06 0.13 0.16 -0.55 8.43 8.23 3hu7A1 GLY 224 HA2 0.03 0.13 0.44 -0.51 4.01 4.10 3hu7A1 GLY 224 HA3 0.04 0.01 0.36 -0.51 4.01 3.91 3hu7A1 SER 225 H 0.10 0.09 0.04 -0.55 8.46 8.15 3hu7A1 SER 225 HA 0.09 0.20 0.61 -0.75 4.49 4.63 3hu7A1 SER 225 HB2 0.08 0.04 0.10 -0.04 3.95 4.12 3hu7A1 SER 225 HB3 0.06 0.14 -0.25 -0.04 3.93 3.83 3hu7A1 GLY 226 H 0.16 0.23 0.16 -0.55 8.43 8.42 3hu7A1 GLY 226 HA2 0.24 0.28 0.32 -0.51 4.01 4.34 3hu7A1 GLY 226 HA3 0.27 0.09 0.76 -0.51 4.01 4.63 3hu7A1 TYR 227 H 0.26 0.01 -0.12 -0.55 8.29 7.89 3hu7A1 TYR 227 HA 0.08 0.13 0.38 -0.75 4.56 4.40 3hu7A1 TYR 227 HB2 -0.01 0.02 -0.11 -0.04 3.06 2.93 3hu7A1 TYR 227 HB3 0.04 -0.03 0.03 -0.04 2.98 2.98 3hu7A1 TYR 227 HD2 -0.02 0.01 -0.31 -0.04 7.15 6.80 3hu7A1 TYR 227 HE2 0.06 0.05 -0.28 -0.04 6.85 6.64 3hu7A1 MET 228 H -0.59 0.30 0.15 -0.55 8.47 7.78 3hu7A1 MET 228 HA -0.48 0.11 0.80 -0.75 4.52 4.20 3hu7A1 MET 228 HB2 -0.34 0.03 -0.10 -0.04 2.15 1.70 3hu7A1 MET 228 HB3 -0.59 0.03 0.12 -0.04 2.03 1.55 3hu7A1 MET 228 HG2 -0.59 0.04 -0.17 -0.04 2.63 1.87 3hu7A1 MET 228 HG3 -1.30 -0.06 -0.02 -0.04 2.56 1.14 3hu7A1 MET 228 HE3 -0.27 -0.01 -0.21 -0.04 2.10 1.58 3hu7A1 PRO 229 HA -0.19 0.17 0.39 -0.51 4.44 4.30 3hu7A1 PRO 229 HB2 -0.15 -0.16 0.03 -0.04 2.28 1.96 3hu7A1 PRO 229 HB3 -0.03 0.11 0.11 -0.04 2.02 2.17 3hu7A1 PRO 229 HG2 -0.03 0.05 0.06 -0.04 2.03 2.07 3hu7A1 PRO 229 HG3 0.09 0.08 0.03 -0.04 2.03 2.19 3hu7A1 PRO 229 HD2 -0.32 0.04 0.15 -0.04 3.68 3.51 3hu7A1 PRO 229 HD3 -0.18 0.21 0.14 -0.04 3.65 3.78 3hu7A1 PRO 230 HA -0.55 0.12 0.35 -0.51 4.44 3.85 3hu7A1 PRO 230 HB2 -0.39 0.10 -0.13 -0.04 2.28 1.81 3hu7A1 PRO 230 HB3 -1.00 0.12 0.06 -0.04 2.02 1.16 3hu7A1 PRO 230 HG2 -0.27 0.07 0.08 -0.04 2.03 1.87 3hu7A1 PRO 230 HG3 -0.72 0.08 0.10 -0.04 2.03 1.45 3hu7A1 PRO 230 HD2 -0.11 0.07 0.22 -0.04 3.68 3.82 3hu7A1 PRO 230 HD3 -0.08 0.17 0.20 -0.04 3.65 3.90 3hu7A1 GLU 231 H -0.20 0.12 -0.15 -0.55 8.60 7.82 3hu7A1 GLU 231 HA -0.15 0.19 0.48 -0.75 4.29 4.05 3hu7A1 GLU 231 HB2 -0.14 -0.01 -0.09 -0.04 2.09 1.82 3hu7A1 GLU 231 HB3 -0.12 0.07 0.06 -0.04 1.99 1.97 3hu7A1 GLU 231 HG2 -0.09 0.05 0.02 -0.04 2.34 2.27 3hu7A1 GLU 231 HG3 -0.12 0.07 0.03 -0.04 2.34 2.28 3hu7A1 LYS 232 H -0.21 0.15 -0.35 -0.55 8.42 7.45 3hu7A1 LYS 232 HA -0.11 0.10 0.50 -0.75 4.32 4.05 3hu7A1 LYS 232 HB2 -0.30 0.12 0.02 -0.04 1.87 1.67 3hu7A1 LYS 232 HB3 -0.10 -0.03 -0.01 -0.04 1.79 1.61 3hu7A1 LYS 232 HG2 -0.14 0.04 -0.03 -0.04 1.46 1.29 3hu7A1 LYS 232 HG3 -0.15 -0.05 -0.01 -0.04 1.46 1.22 3hu7A1 LYS 232 HD2 -0.17 -0.00 0.02 -0.04 1.69 1.50 3hu7A1 LYS 232 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.61 3hu7A1 LYS 232 HE2 -0.04 0.04 -0.01 -0.04 2.99 2.93 3hu7A1 LYS 232 HE3 -0.00 0.00 0.00 -0.04 2.99 2.95 3hu7A1 VAL 233 H -0.35 0.46 -0.12 -0.55 8.24 7.68 3hu7A1 VAL 233 HA -0.39 -0.02 0.51 -0.75 4.13 3.48 3hu7A1 VAL 233 HB -0.45 0.11 0.10 -0.04 2.12 1.84 3hu7A1 VAL 233 HG13 -0.62 0.00 -0.12 -0.04 0.97 0.19 3hu7A1 VAL 233 HG23 -0.68 0.03 -0.06 -0.04 0.95 0.21 3hu7A1 LYS 234 H -0.37 0.53 -0.20 -0.55 8.42 7.83 3hu7A1 LYS 234 HA -0.77 0.04 0.41 -0.75 4.32 3.24 3hu7A1 LYS 234 HB2 -0.14 0.03 0.17 -0.04 1.87 1.88 3hu7A1 LYS 234 HB3 -0.05 0.00 0.01 -0.04 1.79 1.71 3hu7A1 LYS 234 HG2 -0.09 -0.02 0.05 -0.04 1.46 1.37 3hu7A1 LYS 234 HG3 -0.24 0.06 0.09 -0.04 1.46 1.33 3hu7A1 LYS 234 HD2 0.03 -0.04 0.03 -0.04 1.69 1.67 3hu7A1 LYS 234 HD3 0.02 0.25 0.11 -0.04 1.68 2.02 3hu7A1 LYS 234 HE2 -0.13 -0.05 -0.13 -0.04 2.99 2.64 3hu7A1 LYS 234 HE3 -0.08 -0.09 0.01 -0.04 2.99 2.79 3hu7A1 PHE 235 H -0.02 0.35 -0.18 -0.55 8.34 7.93 3hu7A1 PHE 235 HA -0.09 0.11 0.44 -0.75 4.62 4.33 3hu7A1 PHE 235 HB2 -0.13 0.03 0.11 -0.04 3.15 3.12 3hu7A1 PHE 235 HB3 -0.19 -0.06 0.15 -0.04 3.06 2.92 3hu7A1 PHE 235 HD2 -0.19 -0.01 -0.07 -0.04 7.28 6.97 3hu7A1 PHE 235 HE2 -0.10 -0.02 -0.02 -0.04 7.38 7.20 3hu7A1 PHE 235 HZ -0.06 -0.02 -0.01 -0.04 7.32 7.19 3hu7A1 HIS 236 H 0.02 0.52 -0.03 -0.55 8.41 8.37 3hu7A1 HIS 236 HA -0.21 0.10 0.56 -0.75 4.63 4.33 3hu7A1 HIS 236 HB2 -0.09 0.40 0.22 -0.04 3.26 3.75 3hu7A1 HIS 236 HB3 -0.10 -0.02 -0.18 -0.04 3.20 2.85 3hu7A1 HIS 236 HD2 0.03 0.05 0.00 -0.04 6.97 7.01 3hu7A1 HIS 236 HE1 0.18 -0.08 -0.08 -0.04 7.75 7.73 3hu7A1 VAL 237 H -0.17 0.39 0.03 -0.55 8.24 7.95 3hu7A1 VAL 237 HA -0.15 0.08 0.46 -0.75 4.13 3.76 3hu7A1 VAL 237 HB -0.29 0.19 0.22 -0.04 2.12 2.20 3hu7A1 VAL 237 HG13 -0.15 -0.00 -0.14 -0.04 0.97 0.63 3hu7A1 VAL 237 HG23 -0.13 -0.03 -0.03 -0.04 0.95 0.71 3hu7A1 PHE 238 H -0.23 0.40 0.07 -0.55 8.34 8.02 3hu7A1 PHE 238 HA -0.37 -0.02 0.27 -0.75 4.62 3.74 3hu7A1 PHE 238 HB2 -0.13 0.27 0.16 -0.04 3.15 3.41 3hu7A1 PHE 238 HB3 -0.16 0.01 -0.02 -0.04 3.06 2.85 3hu7A1 PHE 238 HD2 -0.13 -0.02 -0.06 -0.04 7.28 7.03 3hu7A1 PHE 238 HE2 0.08 0.03 -0.07 -0.04 7.38 7.38 3hu7A1 PHE 238 HZ 0.12 -0.04 -0.10 -0.04 7.32 7.26 3hu7A1 PRO 239 HA -0.07 0.08 0.31 -0.51 4.44 4.25 3hu7A1 PRO 239 HB2 -0.11 -0.00 -0.00 -0.04 2.28 2.12 3hu7A1 PRO 239 HB3 -0.10 -0.01 0.05 -0.04 2.02 1.92 3hu7A1 PRO 239 HG2 -0.27 0.20 0.04 -0.04 2.03 1.97 3hu7A1 PRO 239 HG3 -0.13 0.00 0.04 -0.04 2.03 1.90 3hu7A1 PRO 239 HD2 -0.13 0.02 -0.73 -0.04 3.68 2.80 3hu7A1 PRO 239 HD3 -0.05 0.30 -0.07 -0.04 3.65 3.79 3hu7A1 ALA 240 H -0.09 0.25 -0.24 -0.55 8.40 7.77 3hu7A1 ALA 240 HA -0.00 0.07 0.54 -0.75 4.34 4.19 3hu7A1 ALA 240 HB3 0.01 0.01 0.08 -0.04 1.41 1.47 3hu7A1 ALA 241 H -0.25 0.70 0.04 -0.55 8.40 8.35 3hu7A1 ALA 241 HA 0.07 0.01 0.37 -0.75 4.34 4.04 3hu7A1 ALA 241 HB3 -0.86 -0.02 0.03 -0.04 1.41 0.52 3hu7A1 LYS 242 H -0.23 0.34 -0.64 -0.55 8.42 7.34 3hu7A1 LYS 242 HA -0.26 0.14 0.62 -0.75 4.32 4.07 3hu7A1 LYS 242 HB2 -0.18 0.25 0.09 -0.04 1.87 1.98 3hu7A1 LYS 242 HB3 -0.10 -0.06 0.06 -0.04 1.79 1.65 3hu7A1 LYS 242 HG2 -0.15 -0.00 0.02 -0.04 1.46 1.28 3hu7A1 LYS 242 HG3 -0.58 -0.03 -0.07 -0.04 1.46 0.74 3hu7A1 LYS 242 HD2 -0.50 -0.11 -0.02 -0.04 1.69 1.02 3hu7A1 LYS 242 HD3 -0.17 0.01 -0.16 -0.04 1.68 1.31 3hu7A1 LYS 242 HE2 -0.12 -0.01 -0.04 -0.04 2.99 2.78 3hu7A1 LYS 242 HE3 -0.22 0.05 -0.05 -0.04 2.99 2.72 3hu7A1 LYS 243 H -0.01 0.40 -0.31 -0.55 8.42 7.94 3hu7A1 LYS 243 HA 0.03 0.10 0.72 -0.75 4.32 4.42 3hu7A1 LYS 243 HB2 0.05 0.24 0.20 -0.04 1.87 2.32 3hu7A1 LYS 243 HB3 0.05 -0.09 0.14 -0.04 1.79 1.85 3hu7A1 LYS 243 HG2 0.02 -0.00 0.08 -0.04 1.46 1.51 3hu7A1 LYS 243 HG3 0.00 0.09 0.07 -0.04 1.46 1.59 3hu7A1 LYS 243 HD2 0.02 -0.05 0.03 -0.04 1.69 1.64 3hu7A1 LYS 243 HD3 0.03 -0.02 0.05 -0.04 1.68 1.70 3hu7A1 LYS 243 HE2 0.04 0.00 0.07 -0.04 2.99 3.06 3hu7A1 LYS 243 HE3 0.04 0.02 0.07 -0.04 2.99 3.07 3hu7A1 SER 244 H 0.08 0.27 -0.56 -0.55 8.46 7.70 3hu7A1 SER 244 HA -0.08 0.19 1.06 -0.75 4.49 4.90 3hu7A1 SER 244 HB2 0.09 0.02 -0.06 -0.04 3.95 3.96 3hu7A1 SER 244 HB3 0.37 0.18 0.14 -0.04 3.93 4.58 3hu7A1 TYR 245 H -0.25 0.18 0.18 -0.55 8.29 7.84 3hu7A1 TYR 245 HA 0.08 0.11 0.48 -0.75 4.56 4.47 3hu7A1 TYR 245 HB2 0.04 0.04 0.10 -0.04 3.06 3.19 3hu7A1 TYR 245 HB3 0.04 -0.02 0.13 -0.04 2.98 3.09 3hu7A1 TYR 245 HD2 0.03 0.06 -0.03 -0.04 7.15 7.17 3hu7A1 TYR 245 HE2 -0.00 0.04 0.04 -0.04 6.85 6.88 3hu7A1 LYS 246 H -0.41 -0.05 -0.35 -0.55 8.42 7.06 3hu7A1 LYS 246 HA 0.09 0.43 0.85 -0.75 4.32 4.93 3hu7A1 LYS 246 HB2 -0.20 -0.05 0.05 -0.04 1.87 1.62 3hu7A1 LYS 246 HB3 0.02 -0.13 0.04 -0.04 1.79 1.67 3hu7A1 LYS 246 HG2 0.16 0.13 -0.03 -0.04 1.46 1.67 3hu7A1 LYS 246 HG3 -0.08 -0.13 -0.03 -0.04 1.46 1.18 3hu7A1 LYS 246 HD2 -0.09 0.17 0.09 -0.04 1.69 1.82 3hu7A1 LYS 246 HD3 0.04 -0.03 -0.05 -0.04 1.68 1.61 3hu7A1 LYS 246 HE2 0.13 -0.00 0.04 -0.04 2.99 3.12 3hu7A1 LYS 246 HE3 0.33 -0.14 0.02 -0.04 2.99 3.16 3hu7A1 PHE 247 H 0.23 0.42 -0.29 -0.55 8.34 8.15 3hu7A1 PHE 247 HA 0.24 0.01 0.57 -0.75 4.62 4.69 3hu7A1 PHE 247 HB2 0.20 0.18 0.30 -0.04 3.15 3.79 3hu7A1 PHE 247 HB3 0.03 0.11 0.25 -0.04 3.06 3.41 3hu7A1 PHE 247 HD2 -0.15 0.03 0.01 -0.04 7.28 7.13 3hu7A1 PHE 247 HE2 -0.22 -0.01 -0.07 -0.04 7.38 7.04 3hu7A1 PHE 247 HZ -0.43 -0.06 -0.11 -0.04 7.32 6.68 3hu7A1 GLY 248 H -0.48 0.55 0.41 -0.55 8.43 8.36 3hu7A1 GLY 248 HA2 -0.55 0.20 0.69 -0.51 4.01 3.84 3hu7A1 GLY 248 HA3 -1.17 -0.10 0.13 -0.51 4.01 2.36 3hu7A1 GLY 249 H -1.54 0.14 0.20 -0.55 8.43 6.69 3hu7A1 GLY 249 HA2 -0.60 0.00 0.35 -0.51 4.01 3.25 3hu7A1 GLY 249 HA3 -0.36 0.39 0.78 -0.51 4.01 4.30 3hu7A1 ILE 250 H 0.24 0.42 0.28 -0.55 8.25 8.63 3hu7A1 ILE 250 HA 0.36 0.13 1.11 -0.75 4.18 5.02 3hu7A1 ILE 250 HB 0.48 0.13 0.18 -0.04 1.89 2.64 3hu7A1 ILE 250 HG12 0.33 0.04 -0.01 -0.04 1.49 1.81 3hu7A1 ILE 250 HG13 0.33 -0.07 -0.33 -0.04 1.21 1.10 3hu7A1 ILE 250 HG23 0.55 -0.02 -0.11 -0.04 0.93 1.32 3hu7A1 ILE 250 HD13 0.47 -0.01 -0.12 -0.04 0.88 1.17 3hu7A1 MET 251 H 0.27 0.68 0.19 -0.55 8.47 9.07 3hu7A1 MET 251 HA 0.01 0.28 0.92 -0.75 4.52 4.97 3hu7A1 MET 251 HB2 -0.20 0.02 -0.21 -0.04 2.15 1.72 3hu7A1 MET 251 HB3 0.15 -0.03 -0.19 -0.04 2.03 1.92 3hu7A1 MET 251 HG2 -0.31 0.05 -0.24 -0.04 2.63 2.09 3hu7A1 MET 251 HG3 -0.79 -0.02 -0.26 -0.04 2.56 1.46 3hu7A1 MET 251 HE3 0.34 0.01 -0.29 -0.04 2.10 2.11 3hu7A1 LEU 252 H 0.04 0.61 0.30 -0.55 8.37 8.79 3hu7A1 LEU 252 HA 0.14 0.36 1.01 -0.75 4.35 5.11 3hu7A1 LEU 252 HB2 0.11 -0.01 0.04 -0.04 1.64 1.74 3hu7A1 LEU 252 HB3 0.08 -0.10 -0.19 -0.04 1.64 1.39 3hu7A1 LEU 252 HG 0.22 0.03 -0.40 -0.04 1.64 1.45 3hu7A1 LEU 252 HD13 0.32 -0.01 -0.16 -0.04 0.93 1.04 3hu7A1 LEU 252 HD23 -0.09 0.03 -0.21 -0.04 0.89 0.58 3hu7A1 TRP 253 H 0.21 0.69 0.23 -0.55 7.97 8.55 3hu7A1 TRP 253 HA 0.09 0.05 0.89 -0.75 4.62 4.90 3hu7A1 TRP 253 HB2 -0.02 0.05 -0.04 -0.04 3.23 3.19 3hu7A1 TRP 253 HB3 -0.36 -0.00 0.10 -0.04 3.23 2.92 3hu7A1 TRP 253 HD1 -0.13 -0.05 -0.12 -0.04 7.22 6.87 3hu7A1 TRP 253 HE1 0.07 0.14 0.03 -0.04 10.20 10.41 3hu7A1 TRP 253 HE3 -0.21 0.01 -0.02 -0.04 7.59 7.32 3hu7A1 TRP 253 HZ2 0.06 0.03 -0.01 -0.04 7.44 7.49 3hu7A1 TRP 253 HZ3 -0.50 0.01 -0.05 -0.04 7.13 6.55 3hu7A1 TRP 253 HH2 0.16 0.03 -0.03 -0.04 7.19 7.30 3hu7A1 ASP 254 H -0.00 0.07 0.16 -0.55 8.40 8.08 3hu7A1 ASP 254 HA -0.12 0.37 0.34 -0.75 4.63 4.47 3hu7A1 ASP 254 HB2 -0.50 0.12 0.17 -0.04 2.71 2.46 3hu7A1 ASP 254 HB3 -1.43 0.08 0.15 -0.04 2.70 1.46 3hu7A1 SER 255 H -0.15 0.86 0.32 -0.55 8.46 8.94 3hu7A1 SER 255 HA -0.02 0.08 0.34 -0.75 4.49 4.15 3hu7A1 SER 255 HB2 -0.03 0.13 0.05 -0.04 3.95 4.06 3hu7A1 SER 255 HB3 -0.04 -0.14 0.19 -0.04 3.93 3.91 3hu7A1 TYR 256 H -0.13 0.07 -0.06 -0.55 8.29 7.62 3hu7A1 TYR 256 HA -0.25 0.07 0.47 -0.75 4.56 4.09 3hu7A1 TYR 256 HB2 -0.39 -0.06 0.06 -0.04 3.06 2.63 3hu7A1 TYR 256 HB3 -0.47 -0.05 0.00 -0.04 2.98 2.42 3hu7A1 TYR 256 HD2 -0.92 -0.04 -0.12 -0.04 7.15 6.03 3hu7A1 TYR 256 HE2 -0.74 0.05 -0.14 -0.04 6.85 5.99 3hu7A1 TRP 257 H 0.03 0.04 -0.26 -0.55 7.97 7.24 3hu7A1 TRP 257 HA -0.28 0.14 0.54 -0.75 4.62 4.27 3hu7A1 TRP 257 HB2 -0.08 -0.10 0.18 -0.04 3.23 3.19 3hu7A1 TRP 257 HB3 -0.01 0.00 -0.07 -0.04 3.23 3.12 3hu7A1 TRP 257 HD1 -0.08 -0.03 -0.05 -0.04 7.22 7.02 3hu7A1 TRP 257 HE1 0.10 0.10 -0.10 -0.04 10.20 10.27 3hu7A1 TRP 257 HE3 -0.54 -0.02 0.02 -0.04 7.59 7.00 3hu7A1 TRP 257 HZ2 0.06 0.07 -0.10 -0.04 7.44 7.43 3hu7A1 TRP 257 HZ3 -0.67 0.04 -0.04 -0.04 7.13 6.42 3hu7A1 TRP 257 HH2 -0.12 0.04 -0.06 -0.04 7.19 7.02 3hu7A1 ASP 258 H 0.11 0.50 -0.06 -0.55 8.40 8.40 3hu7A1 ASP 258 HA 0.22 -0.01 0.49 -0.75 4.63 4.57 3hu7A1 ASP 258 HB2 0.15 0.04 -0.02 -0.04 2.71 2.84 3hu7A1 ASP 258 HB3 0.17 0.10 0.03 -0.04 2.70 2.96 3hu7A1 THR 259 H 0.01 0.56 -0.13 -0.55 8.28 8.18 3hu7A1 THR 259 HA 0.05 0.06 0.47 -0.75 4.39 4.22 3hu7A1 THR 259 HB -0.16 0.14 0.14 -0.04 4.32 4.39 3hu7A1 THR 259 HG23 -0.04 -0.01 -0.03 -0.04 1.22 1.10 3hu7A1 VAL 260 H -0.07 0.15 -0.42 -0.55 8.24 7.36 3hu7A1 VAL 260 HA -0.04 0.06 0.32 -0.75 4.13 3.72 3hu7A1 VAL 260 HB 0.08 0.11 0.21 -0.04 2.12 2.47 3hu7A1 VAL 260 HG13 0.12 -0.01 -0.12 -0.04 0.97 0.91 3hu7A1 VAL 260 HG23 -0.49 0.02 0.04 -0.04 0.95 0.48 3hu7A1 SER 261 H 0.20 0.43 0.08 -0.55 8.46 8.62 3hu7A1 SER 261 HA 0.19 0.14 0.50 -0.75 4.49 4.56 3hu7A1 SER 261 HB2 0.25 -0.04 0.17 -0.04 3.95 4.29 3hu7A1 SER 261 HB3 0.41 -0.07 0.15 -0.04 3.93 4.38 3hu7A1 ASN 262 H 0.14 0.48 -0.21 -0.55 8.53 8.39 3hu7A1 ASN 262 HA 0.11 0.09 0.32 -0.75 4.76 4.53 3hu7A1 ASN 262 HB2 0.07 0.19 0.05 -0.04 2.88 3.15 3hu7A1 ASN 262 HB3 0.05 -0.09 0.22 -0.04 2.79 2.93 3hu7A1 ASN 262 HD21 0.04 -0.00 -0.00 -0.04 7.03 7.03 3hu7A1 ASN 262 HD22 0.05 -0.02 0.01 -0.04 7.74 7.73 3hu7A1 PHE 263 H 0.31 0.10 -0.16 -0.55 8.34 8.04 3hu7A1 PHE 263 HA 0.07 0.10 0.32 -0.75 4.62 4.36 3hu7A1 PHE 263 HB2 0.16 0.20 0.13 -0.04 3.15 3.60 3hu7A1 PHE 263 HB3 0.15 -0.12 0.08 -0.04 3.06 3.13 3hu7A1 PHE 263 HD2 0.16 0.01 -0.23 -0.04 7.28 7.17 3hu7A1 PHE 263 HE2 -0.14 0.09 -0.06 -0.04 7.38 7.22 3hu7A1 PHE 263 HZ -0.35 0.02 -0.08 -0.04 7.32 6.88 3hu7A1 SER 264 H 0.30 0.06 -0.15 -0.55 8.46 8.13 3hu7A1 SER 264 HA 0.22 0.09 0.38 -0.75 4.49 4.42 3hu7A1 SER 264 HB2 0.04 0.15 -0.07 -0.04 3.95 4.03 3hu7A1 SER 264 HB3 0.28 -0.05 -0.04 -0.04 3.93 4.08 3hu7A1 SER 265 H 0.05 0.01 -0.37 -0.55 8.46 7.61 3hu7A1 SER 265 HA -0.07 0.15 0.21 -0.75 4.49 4.02 3hu7A1 SER 265 HB2 0.03 0.03 0.13 -0.04 3.95 4.10 3hu7A1 SER 265 HB3 0.01 0.03 -0.01 -0.04 3.93 3.92 3hu7A1 LYS 266 H -0.04 0.41 -0.26 -0.55 8.42 7.97 3hu7A1 LYS 266 HA -0.05 0.15 0.52 -0.75 4.32 4.19 3hu7A1 LYS 266 HB2 -0.20 0.09 0.15 -0.04 1.87 1.88 3hu7A1 LYS 266 HB3 -0.17 -0.12 -0.02 -0.04 1.79 1.44 3hu7A1 LYS 266 HG2 -0.06 -0.06 0.04 -0.04 1.46 1.34 3hu7A1 LYS 266 HG3 -0.03 0.04 0.01 -0.04 1.46 1.44 3hu7A1 LYS 266 HD2 -0.05 0.05 -0.09 -0.04 1.69 1.56 3hu7A1 LYS 266 HD3 -0.07 -0.14 0.02 -0.04 1.68 1.44 3hu7A1 LYS 266 HE2 -0.00 -0.07 0.02 -0.04 2.99 2.90 3hu7A1 LYS 266 HE3 0.02 0.07 0.03 -0.04 2.99 3.07 3hu7A1 ILE 267 H -0.11 0.40 -0.14 -0.55 8.25 7.84 3hu7A1 ILE 267 HA -0.09 0.01 0.42 -0.75 4.18 3.77 3hu7A1 ILE 267 HB 0.06 0.06 0.11 -0.04 1.89 2.08 3hu7A1 ILE 267 HG12 -0.51 0.01 0.03 -0.04 1.49 0.97 3hu7A1 ILE 267 HG13 0.09 -0.07 -0.06 -0.04 1.21 1.14 3hu7A1 ILE 267 HG23 0.25 -0.01 -0.17 -0.04 0.93 0.96 3hu7A1 ILE 267 HD13 -0.20 -0.01 0.02 -0.04 0.88 0.64 3hu7A1 LEU 268 H -0.05 0.40 -0.41 -0.55 8.37 7.76 3hu7A1 LEU 268 HA -0.03 0.15 0.64 -0.75 4.35 4.36 3hu7A1 LEU 268 HB2 -0.17 0.10 -0.20 -0.04 1.64 1.33 3hu7A1 LEU 268 HB3 -0.21 -0.12 0.03 -0.04 1.64 1.30 3hu7A1 LEU 268 HG -0.03 -0.03 -0.09 -0.04 1.64 1.45 3hu7A1 LEU 268 HD13 -0.17 0.03 -0.07 -0.04 0.93 0.68 3hu7A1 LEU 268 HD23 -0.06 0.02 -0.00 -0.04 0.89 0.81 3hu7A1 GLY 269 H -0.05 0.31 -0.47 -0.55 8.43 7.68 3hu7A1 GLY 269 HA2 0.01 0.00 0.33 -0.51 4.01 3.83 3hu7A1 GLY 269 HA3 -0.00 0.04 0.73 -0.51 4.01 4.26 3hu7A1 GLU 270 H -0.15 0.01 0.04 -0.55 8.60 7.96 3hu7A1 GLU 270 HA -0.02 0.51 0.40 -0.75 4.29 4.42 3hu7A1 GLU 270 HB2 0.42 -0.06 -0.08 -0.04 2.09 2.32 3hu7A1 GLU 270 HB3 0.66 -0.08 0.04 -0.04 1.99 2.57 3hu7A1 GLU 270 HG2 0.16 -0.06 0.07 -0.04 2.34 2.47 3hu7A1 GLU 270 HG3 0.09 0.21 0.17 -0.04 2.34 2.77 3hu7A1 GLY 271 H -1.25 0.04 0.05 -0.55 8.43 6.73 3hu7A1 GLY 271 HA2 -0.65 0.05 0.24 -0.51 4.01 3.15 3hu7A1 GLY 271 HA3 -0.37 0.10 0.23 -0.51 4.01 3.45 3hu7A1 TRP 272 H -2.23 -0.06 -0.24 -0.55 7.97 4.90 3hu7A1 TRP 272 HA -0.02 0.31 0.45 -0.75 4.62 4.60 3hu7A1 TRP 272 HB2 -0.01 0.00 0.04 -0.04 3.23 3.22 3hu7A1 TRP 272 HB3 -0.01 0.03 -0.02 -0.04 3.23 3.19 3hu7A1 TRP 272 HD1 -0.01 0.09 -0.11 -0.04 7.22 7.15 3hu7A1 TRP 272 HE1 -0.01 0.02 0.02 -0.04 10.20 10.19 3hu7A1 TRP 272 HE3 -0.01 0.08 -0.01 -0.04 7.59 7.61 3hu7A1 TRP 272 HZ2 -0.00 0.01 0.04 -0.04 7.44 7.44 3hu7A1 TRP 272 HZ3 -0.01 0.04 -0.00 -0.04 7.13 7.12 3hu7A1 TRP 272 HH2 -0.00 0.03 0.02 -0.04 7.19 7.20