============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 6 1.000 8.910 -19.979 -22.840 -99.200 -91.000 TRP 7 1.040 4.025 -18.743 -25.624 -99.200 -91.000 TRP6 7 1.020 2.011 -19.542 -26.573 -99.200 -91.000 TYR 12 0.840 5.263 -10.277 -14.362 -99.200 -91.000 HIS 17 0.900 18.853 -17.968 -17.093 -99.200 -91.000 PHE 22 1.000 8.801 -20.598 -13.453 -99.200 -91.000 PHE 30 1.000 6.232 -30.626 -8.559 -99.200 -91.000 TYR 35 0.840 -6.362 -26.443 -7.784 -99.200 -91.000 TYR 39 0.840 -7.768 -21.918 -10.646 -99.200 -91.000 TYR 41 0.840 0.793 -25.699 -16.682 -99.200 -91.000 TYR 49 0.840 -1.382 -32.074 2.606 -99.200 -91.000 TYR 55 0.840 -3.569 -23.294 2.712 -99.200 -91.000 PHE 67 1.000 10.777 -13.623 -4.134 -99.200 -91.000 TRP 70 1.040 14.085 -9.025 -8.648 -99.200 -91.000 TRP6 70 1.020 12.267 -8.882 -7.144 -99.200 -91.000 TYR 88 0.840 5.672 -25.228 -10.359 -99.200 -91.000 TYR 108 0.840 8.068 -26.869 11.814 -99.200 -91.000 PHE 130 1.000 11.381 -30.702 -1.098 -99.200 -91.000 TYR 136 0.840 16.794 -20.767 14.295 -99.200 -91.000 TYR 137 0.840 17.129 -25.986 14.437 -99.200 -91.000 PHE 142 1.000 23.197 -32.336 1.599 -99.200 -91.000 TYR 145 0.840 23.025 -24.598 1.016 -99.200 -91.000 PHE 149 1.000 13.809 -18.538 -4.760 -99.200 -91.000 TRP 161 1.040 18.465 -19.865 7.092 -99.200 -91.000 TRP6 161 1.020 16.511 -18.636 6.588 -99.200 -91.000 PHE 162 1.000 26.698 -13.632 7.387 -99.200 -91.000 PHE 186 1.000 13.366 -6.152 3.923 -99.200 -91.000 PHE 188 1.000 18.700 -8.522 3.602 -99.200 -91.000 TYR 194 0.840 28.367 -5.397 8.693 -99.200 -91.000 TYR 199 0.840 9.800 -2.820 0.354 -99.200 -91.000 PHE 205 1.000 6.508 -15.746 -0.717 -99.200 -91.000 PHE 226 1.000 21.852 -5.270 30.939 -99.200 -91.000 PHE 228 1.000 16.457 5.896 33.279 -99.200 -91.000 HIS 238 0.900 4.920 0.978 13.832 -99.200 -91.000 PHE 240 1.000 15.783 3.599 16.080 -99.200 -91.000 PHE 258 1.000 6.635 -4.373 19.708 -99.200 -91.000 TYR 259 0.840 10.721 -3.928 27.433 -99.200 -91.000 TYR 260 0.840 19.231 -3.967 21.039 -99.200 -91.000 PHE 269 1.000 13.234 0.473 20.755 -99.200 -91.000 TYR 277 0.840 15.306 0.573 31.736 -99.200 -91.000 TRP 290 1.040 15.416 6.400 10.910 -99.200 -91.000 TRP6 290 1.020 14.036 7.115 12.685 -99.200 -91.000 TYR 295 0.840 14.821 11.992 12.070 -99.200 -91.000 PHE 298 1.000 10.330 -1.746 5.919 -99.200 -91.000 TYR 300 0.840 10.703 5.080 0.732 -99.200 -91.000 HIS 304 0.900 25.312 -1.337 4.850 -99.200 -91.000 TYR 307 0.840 23.430 -12.408 9.952 -99.200 -91.000 PHE 310 1.000 26.567 -4.535 18.763 -99.200 -91.000 HIS 312 0.900 26.971 -0.742 8.657 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dl5A1 MET 1 HA -0.36 -0.01 0.19 -0.75 4.52 3.58 1dl5A1 ARG 2 H -0.69 0.17 0.12 -0.55 8.46 7.50 1dl5A1 ARG 2 HA -0.80 0.11 0.43 -0.75 4.34 3.32 1dl5A1 ARG 2 HB2 -0.28 -0.00 0.08 -0.04 1.90 1.65 1dl5A1 ARG 2 HB3 -0.13 0.14 0.12 -0.04 1.80 1.89 1dl5A1 ARG 2 HG2 -0.76 -0.06 0.07 -0.04 1.67 0.87 1dl5A1 ARG 2 HG3 -0.39 -0.09 0.10 -0.04 1.67 1.25 1dl5A1 ARG 2 HD2 -0.03 0.36 -0.05 -0.04 3.22 3.45 1dl5A1 ARG 2 HD3 0.17 0.21 -0.17 -0.04 3.22 3.39 1dl5A1 GLU 3 H -0.42 0.07 -0.23 -0.55 8.60 7.47 1dl5A1 GLU 3 HA -0.54 0.09 0.38 -0.75 4.29 3.46 1dl5A1 GLU 3 HB2 -0.69 -0.01 0.02 -0.04 2.09 1.38 1dl5A1 GLU 3 HB3 -1.25 0.04 -0.01 -0.04 1.99 0.73 1dl5A1 GLU 3 HG2 -0.33 -0.07 0.05 -0.04 2.34 1.96 1dl5A1 GLU 3 HG3 -0.28 0.04 0.01 -0.04 2.34 2.07 1dl5A1 LYS 4 H -0.42 0.25 -0.24 -0.55 8.42 7.46 1dl5A1 LYS 4 HA -0.10 0.01 0.38 -0.75 4.32 3.86 1dl5A1 LYS 4 HB2 0.09 -0.04 0.05 -0.04 1.87 1.93 1dl5A1 LYS 4 HB3 -0.07 -0.04 0.09 -0.04 1.79 1.72 1dl5A1 LYS 4 HG2 -0.07 0.50 0.15 -0.04 1.46 2.00 1dl5A1 LYS 4 HG3 0.03 0.08 -0.15 -0.04 1.46 1.37 1dl5A1 LYS 4 HD2 0.06 -0.09 -0.05 -0.04 1.69 1.57 1dl5A1 LYS 4 HD3 0.03 -0.05 0.00 -0.04 1.68 1.62 1dl5A1 LYS 4 HE2 0.13 0.06 -0.07 -0.04 2.99 3.07 1dl5A1 LYS 4 HE3 0.09 0.16 -0.45 -0.04 2.99 2.74 1dl5A1 LEU 5 H -0.08 0.29 -0.21 -0.55 8.37 7.82 1dl5A1 LEU 5 HA 0.03 0.03 0.44 -0.75 4.35 4.10 1dl5A1 LEU 5 HB2 0.22 0.14 0.15 -0.04 1.64 2.11 1dl5A1 LEU 5 HB3 0.15 0.11 0.15 -0.04 1.64 2.02 1dl5A1 LEU 5 HG 0.01 -0.05 -0.23 -0.04 1.64 1.33 1dl5A1 LEU 5 HD13 -0.05 -0.01 -0.07 -0.04 0.93 0.75 1dl5A1 LEU 5 HD23 0.26 0.02 -0.01 -0.04 0.89 1.11 1dl5A1 PHE 6 H 0.03 0.68 -0.06 -0.55 8.34 8.44 1dl5A1 PHE 6 HA -0.02 0.01 0.33 -0.75 4.62 4.18 1dl5A1 PHE 6 HB2 -0.09 0.03 0.03 -0.04 3.15 3.08 1dl5A1 PHE 6 HB3 -0.30 0.10 0.16 -0.04 3.06 2.97 1dl5A1 PHE 6 HD2 0.08 0.13 -0.20 -0.04 7.28 7.25 1dl5A1 PHE 6 HE2 0.16 -0.02 -0.19 -0.04 7.38 7.28 1dl5A1 PHE 6 HZ 0.09 -0.02 -0.07 -0.04 7.32 7.29 1dl5A1 TRP 7 H 0.03 0.63 -0.16 -0.55 7.97 7.92 1dl5A1 TRP 7 HA -0.13 -0.00 0.40 -0.75 4.62 4.13 1dl5A1 TRP 7 HB2 0.03 0.12 0.15 -0.04 3.23 3.50 1dl5A1 TRP 7 HB3 0.01 -0.05 0.00 -0.04 3.23 3.15 1dl5A1 TRP 7 HD1 0.33 -0.04 -0.06 -0.04 7.22 7.42 1dl5A1 TRP 7 HE1 0.15 -0.02 -0.03 -0.04 10.20 10.26 1dl5A1 TRP 7 HE3 0.03 0.02 -0.03 -0.04 7.59 7.57 1dl5A1 TRP 7 HZ2 0.03 -0.01 -0.04 -0.04 7.44 7.39 1dl5A1 TRP 7 HZ3 0.02 -0.01 -0.05 -0.04 7.13 7.05 1dl5A1 TRP 7 HH2 0.02 -0.01 -0.05 -0.04 7.19 7.11 1dl5A1 ILE 8 H 0.14 0.63 -0.10 -0.55 8.25 8.36 1dl5A1 ILE 8 HA 0.09 -0.00 0.40 -0.75 4.18 3.91 1dl5A1 ILE 8 HB 0.08 0.08 0.16 -0.04 1.89 2.17 1dl5A1 ILE 8 HG12 0.10 -0.03 -0.06 -0.04 1.49 1.45 1dl5A1 ILE 8 HG13 0.07 -0.02 0.08 -0.04 1.21 1.30 1dl5A1 ILE 8 HG23 -0.03 0.10 0.07 -0.04 0.93 1.02 1dl5A1 ILE 8 HD13 0.04 -0.02 0.03 -0.04 0.88 0.89 1dl5A1 LEU 9 H -0.10 0.62 -0.19 -0.55 8.37 8.16 1dl5A1 LEU 9 HA -0.12 -0.01 0.45 -0.75 4.35 3.91 1dl5A1 LEU 9 HB2 -0.28 0.18 0.13 -0.04 1.64 1.63 1dl5A1 LEU 9 HB3 -0.28 -0.09 -0.02 -0.04 1.64 1.20 1dl5A1 LEU 9 HG -0.27 0.22 -0.02 -0.04 1.64 1.54 1dl5A1 LEU 9 HD13 -0.82 -0.01 -0.10 -0.04 0.93 -0.04 1dl5A1 LEU 9 HD23 -0.47 -0.04 -0.15 -0.04 0.89 0.18 1dl5A1 LYS 10 H -0.22 0.53 -0.12 -0.55 8.42 8.05 1dl5A1 LYS 10 HA -0.13 0.15 0.43 -0.75 4.32 4.02 1dl5A1 LYS 10 HB2 -0.12 0.15 0.19 -0.04 1.87 2.05 1dl5A1 LYS 10 HB3 -0.09 -0.06 0.01 -0.04 1.79 1.61 1dl5A1 LYS 10 HG2 -0.93 0.16 0.02 -0.04 1.46 0.66 1dl5A1 LYS 10 HG3 -0.33 -0.07 -0.02 -0.04 1.46 0.99 1dl5A1 LYS 10 HD2 -0.21 0.16 -0.08 -0.04 1.69 1.52 1dl5A1 LYS 10 HD3 -0.20 -0.12 -0.10 -0.04 1.68 1.23 1dl5A1 LYS 10 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 1dl5A1 LYS 10 HE3 -0.06 -0.00 0.03 -0.04 2.99 2.92 1dl5A1 LYS 11 H -0.01 0.48 -0.24 -0.55 8.42 8.09 1dl5A1 LYS 11 HA -0.03 0.01 0.40 -0.75 4.32 3.95 1dl5A1 TYR 12 H 0.09 0.28 -0.61 -0.55 8.29 7.50 1dl5A1 TYR 12 HA -0.05 0.05 0.55 -0.75 4.56 4.37 1dl5A1 TYR 12 HB2 -0.11 0.07 0.22 -0.04 3.06 3.19 1dl5A1 TYR 12 HB3 -0.11 -0.06 0.03 -0.04 2.98 2.80 1dl5A1 TYR 12 HD2 -0.07 0.06 0.03 -0.04 7.15 7.12 1dl5A1 TYR 12 HE2 -0.05 -0.02 -0.01 -0.04 6.85 6.73 1dl5A1 GLY 13 H 0.01 0.53 -0.46 -0.55 8.43 7.97 1dl5A1 GLY 13 HA2 0.01 0.03 0.26 -0.51 4.01 3.80 1dl5A1 GLY 13 HA3 0.03 0.08 0.60 -0.51 4.01 4.21 1dl5A1 VAL 14 H -0.00 0.37 -0.11 -0.55 8.24 7.95 1dl5A1 VAL 14 HA -0.03 0.02 0.39 -0.75 4.13 3.76 1dl5A1 VAL 14 HB -0.13 -0.02 -0.18 -0.04 2.12 1.75 1dl5A1 VAL 14 HG13 -0.09 0.02 -0.15 -0.04 0.97 0.70 1dl5A1 VAL 14 HG23 -0.14 0.01 -0.08 -0.04 0.95 0.69 1dl5A1 SER 15 H 0.00 0.11 0.17 -0.55 8.46 8.19 1dl5A1 SER 15 HA 0.05 0.15 0.39 -0.75 4.49 4.33 1dl5A1 SER 15 HB2 0.20 -0.06 0.13 -0.04 3.95 4.18 1dl5A1 SER 15 HB3 0.11 0.16 0.15 -0.04 3.93 4.31 1dl5A1 ASP 16 H 0.11 0.19 0.16 -0.55 8.40 8.32 1dl5A1 ASP 16 HA 0.15 0.12 0.37 -0.75 4.63 4.50 1dl5A1 ASP 16 HB2 0.14 -0.02 0.14 -0.04 2.71 2.93 1dl5A1 ASP 16 HB3 0.16 0.03 0.00 -0.04 2.70 2.86 1dl5A1 HIS 17 H 0.33 0.12 -0.10 -0.55 8.41 8.22 1dl5A1 HIS 17 HA 0.07 0.10 0.34 -0.75 4.63 4.39 1dl5A1 HIS 17 HB2 0.03 0.09 0.08 -0.04 3.26 3.43 1dl5A1 HIS 17 HB3 0.04 -0.03 0.10 -0.04 3.20 3.26 1dl5A1 HIS 17 HD2 0.02 0.06 -0.06 -0.04 6.97 6.94 1dl5A1 HIS 17 HE1 0.04 0.02 -0.01 -0.04 7.75 7.75 1dl5A1 ILE 18 H -0.29 0.11 -0.42 -0.55 8.25 7.10 1dl5A1 ILE 18 HA -0.16 0.17 0.62 -0.75 4.18 4.05 1dl5A1 ILE 18 HB -0.18 -0.02 0.03 -0.04 1.89 1.68 1dl5A1 ILE 18 HG12 -0.25 0.03 -0.10 -0.04 1.49 1.12 1dl5A1 ILE 18 HG13 -1.16 -0.06 -0.15 -0.04 1.21 -0.19 1dl5A1 ILE 18 HG23 0.06 0.01 -0.15 -0.04 0.93 0.81 1dl5A1 ILE 18 HD13 -0.07 0.04 -0.14 -0.04 0.88 0.66 1dl5A1 ALA 19 H 0.02 0.62 -0.08 -0.55 8.40 8.42 1dl5A1 ALA 19 HA 0.14 -0.01 0.31 -0.75 4.34 4.03 1dl5A1 ALA 19 HB3 -0.14 0.02 -0.03 -0.04 1.41 1.22 1dl5A1 LYS 20 H 0.24 0.67 -0.22 -0.55 8.42 8.55 1dl5A1 LYS 20 HA 0.17 -0.02 0.34 -0.75 4.32 4.06 1dl5A1 LYS 20 HB2 0.16 0.03 0.05 -0.04 1.87 2.07 1dl5A1 LYS 20 HB3 0.11 0.11 -0.01 -0.04 1.79 1.96 1dl5A1 LYS 20 HG2 0.02 0.02 -0.20 -0.04 1.46 1.26 1dl5A1 LYS 20 HG3 -0.02 -0.06 0.00 -0.04 1.46 1.34 1dl5A1 LYS 20 HD2 0.05 -0.04 -0.06 -0.04 1.69 1.61 1dl5A1 LYS 20 HD3 0.05 0.04 -0.06 -0.04 1.68 1.67 1dl5A1 LYS 20 HE2 0.00 0.03 -0.05 -0.04 2.99 2.92 1dl5A1 LYS 20 HE3 -0.02 -0.03 -0.04 -0.04 2.99 2.86 1dl5A1 ALA 21 H 0.09 0.31 -0.57 -0.55 8.40 7.68 1dl5A1 ALA 21 HA -0.04 0.04 0.36 -0.75 4.34 3.95 1dl5A1 ALA 21 HB3 -0.15 0.10 0.05 -0.04 1.41 1.37 1dl5A1 PHE 22 H 0.33 0.37 -0.24 -0.55 8.34 8.24 1dl5A1 PHE 22 HA 0.01 0.02 0.43 -0.75 4.62 4.33 1dl5A1 PHE 22 HB2 0.08 0.19 0.08 -0.04 3.15 3.45 1dl5A1 PHE 22 HB3 0.10 -0.06 -0.02 -0.04 3.06 3.05 1dl5A1 PHE 22 HD2 0.03 0.13 -0.01 -0.04 7.28 7.39 1dl5A1 PHE 22 HE2 -0.10 -0.04 -0.09 -0.04 7.38 7.12 1dl5A1 PHE 22 HZ -0.14 -0.08 -0.15 -0.04 7.32 6.91 1dl5A1 LEU 23 H 0.20 0.30 -0.43 -0.55 8.37 7.89 1dl5A1 LEU 23 HA 0.05 -0.00 0.47 -0.75 4.35 4.11 1dl5A1 LEU 23 HB2 -0.06 -0.04 0.04 -0.04 1.64 1.54 1dl5A1 LEU 23 HB3 -0.07 0.22 0.11 -0.04 1.64 1.85 1dl5A1 LEU 23 HG -0.17 0.03 -0.13 -0.04 1.64 1.33 1dl5A1 LEU 23 HD13 -0.24 -0.03 -0.07 -0.04 0.93 0.55 1dl5A1 LEU 23 HD23 -0.63 -0.01 -0.04 -0.04 0.89 0.16 1dl5A1 GLU 24 H 0.03 0.32 -0.35 -0.55 8.60 8.06 1dl5A1 GLU 24 HA -0.01 0.08 0.61 -0.75 4.29 4.22 1dl5A1 GLU 24 HB2 -0.02 0.09 0.06 -0.04 2.09 2.18 1dl5A1 GLU 24 HB3 -0.01 -0.05 0.08 -0.04 1.99 1.97 1dl5A1 GLU 24 HG2 -0.03 -0.08 -0.06 -0.04 2.34 2.13 1dl5A1 GLU 24 HG3 -0.02 0.28 0.03 -0.04 2.34 2.59 1dl5A1 ILE 25 H 0.07 0.24 -0.28 -0.55 8.25 7.72 1dl5A1 ILE 25 HA 0.11 0.27 0.93 -0.75 4.18 4.74 1dl5A1 ILE 25 HB 0.03 -0.03 0.02 -0.04 1.89 1.88 1dl5A1 ILE 25 HG12 -0.07 0.10 -0.18 -0.04 1.49 1.30 1dl5A1 ILE 25 HG13 -0.18 -0.10 -0.39 -0.04 1.21 0.49 1dl5A1 ILE 25 HG23 0.25 -0.03 -0.33 -0.04 0.93 0.77 1dl5A1 ILE 25 HD13 0.04 0.04 -0.17 -0.04 0.88 0.75 1dl5A1 PRO 26 HA 0.28 0.05 0.58 -0.51 4.44 4.84 1dl5A1 PRO 26 HB2 0.11 -0.10 0.09 -0.04 2.28 2.33 1dl5A1 PRO 26 HB3 0.11 0.07 0.08 -0.04 2.02 2.23 1dl5A1 PRO 26 HG2 0.12 -0.03 0.15 -0.04 2.03 2.23 1dl5A1 PRO 26 HG3 0.06 0.10 0.09 -0.04 2.03 2.24 1dl5A1 PRO 26 HD2 0.17 0.13 0.21 -0.04 3.68 4.14 1dl5A1 PRO 26 HD3 0.10 0.26 0.11 -0.04 3.65 4.08 1dl5A1 ARG 27 H 0.18 0.30 0.20 -0.55 8.46 8.59 1dl5A1 ARG 27 HA -0.14 0.05 0.28 -0.75 4.34 3.78 1dl5A1 ARG 27 HB2 -0.52 0.11 0.12 -0.04 1.90 1.57 1dl5A1 ARG 27 HB3 -0.69 -0.01 0.04 -0.04 1.80 1.09 1dl5A1 ARG 27 HG2 -0.57 -0.06 -0.11 -0.04 1.67 0.89 1dl5A1 ARG 27 HG3 -1.72 -0.10 0.03 -0.04 1.67 -0.16 1dl5A1 ARG 27 HD2 -0.56 -0.01 0.04 -0.04 3.22 2.64 1dl5A1 ARG 27 HD3 -0.58 0.33 0.07 -0.04 3.22 3.00 1dl5A1 GLU 28 H -0.01 0.08 -0.24 -0.55 8.60 7.88 1dl5A1 GLU 28 HA -0.03 0.07 0.36 -0.75 4.29 3.94 1dl5A1 GLU 28 HB2 0.04 0.05 0.08 -0.04 2.09 2.21 1dl5A1 GLU 28 HB3 0.02 -0.04 0.08 -0.04 1.99 2.02 1dl5A1 GLU 28 HG2 0.04 0.10 -0.18 -0.04 2.34 2.25 1dl5A1 GLU 28 HG3 0.05 0.02 -0.06 -0.04 2.34 2.31 1dl5A1 GLU 29 H 0.05 0.38 -0.42 -0.55 8.60 8.07 1dl5A1 GLU 29 HA -0.10 0.08 0.41 -0.75 4.29 3.93 1dl5A1 GLU 29 HB2 -0.27 0.16 0.03 -0.04 2.09 1.96 1dl5A1 GLU 29 HB3 -0.33 -0.00 0.08 -0.04 1.99 1.70 1dl5A1 GLU 29 HG2 -0.00 -0.10 0.03 -0.04 2.34 2.22 1dl5A1 GLU 29 HG3 -0.06 0.05 0.03 -0.04 2.34 2.31 1dl5A1 PHE 30 H 0.15 0.46 -0.44 -0.55 8.34 7.95 1dl5A1 PHE 30 HA -0.01 0.23 0.81 -0.75 4.62 4.90 1dl5A1 PHE 30 HB2 -0.06 0.12 0.03 -0.04 3.15 3.21 1dl5A1 PHE 30 HB3 0.02 -0.24 0.02 -0.04 3.06 2.83 1dl5A1 PHE 30 HD2 0.03 0.16 -0.16 -0.04 7.28 7.26 1dl5A1 PHE 30 HE2 0.06 0.04 -0.23 -0.04 7.38 7.22 1dl5A1 PHE 30 HZ 0.03 0.04 -0.17 -0.04 7.32 7.18 1dl5A1 LEU 31 H 0.05 0.44 -0.20 -0.55 8.37 8.10 1dl5A1 LEU 31 HA 0.11 0.04 0.98 -0.75 4.35 4.72 1dl5A1 LEU 31 HB2 0.12 0.11 0.20 -0.04 1.64 2.03 1dl5A1 LEU 31 HB3 0.23 0.02 0.13 -0.04 1.64 1.98 1dl5A1 LEU 31 HG -0.00 0.08 -0.04 -0.04 1.64 1.64 1dl5A1 LEU 31 HD13 -0.06 -0.01 -0.05 -0.04 0.93 0.78 1dl5A1 LEU 31 HD23 -0.03 0.01 -0.19 -0.04 0.89 0.64 1dl5A1 THR 32 H 0.10 0.61 0.30 -0.55 8.28 8.74 1dl5A1 THR 32 HA 0.03 0.13 0.49 -0.75 4.39 4.29 1dl5A1 THR 32 HB 0.05 -0.05 0.12 -0.04 4.32 4.40 1dl5A1 THR 32 HG23 0.20 0.01 0.04 -0.04 1.22 1.43 1dl5A1 LYS 33 H 0.07 0.09 -0.27 -0.55 8.42 7.75 1dl5A1 LYS 33 HA -0.08 0.13 0.81 -0.75 4.32 4.42 1dl5A1 SER 34 H -0.13 0.11 0.09 -0.55 8.46 7.99 1dl5A1 SER 34 HA 0.00 0.14 0.58 -0.75 4.49 4.46 1dl5A1 SER 34 HB2 -0.04 0.04 0.06 -0.04 3.95 3.96 1dl5A1 SER 34 HB3 -0.08 -0.04 0.10 -0.04 3.93 3.88 1dl5A1 TYR 35 H 0.16 0.24 0.20 -0.55 8.29 8.34 1dl5A1 TYR 35 HA 0.01 0.20 0.83 -0.75 4.56 4.84 1dl5A1 TYR 35 HB2 0.07 -0.04 -0.03 -0.04 3.06 3.02 1dl5A1 TYR 35 HB3 0.20 0.02 -0.00 -0.04 2.98 3.16 1dl5A1 TYR 35 HD2 0.06 0.04 -0.05 -0.04 7.15 7.16 1dl5A1 TYR 35 HE2 0.10 0.05 -0.01 -0.04 6.85 6.95 1dl5A1 PRO 36 HA 0.08 0.10 0.54 -0.51 4.44 4.65 1dl5A1 PRO 36 HB2 0.10 -0.09 0.09 -0.04 2.28 2.34 1dl5A1 PRO 36 HB3 0.06 0.07 0.12 -0.04 2.02 2.22 1dl5A1 PRO 36 HG2 -0.01 0.08 0.07 -0.04 2.03 2.13 1dl5A1 PRO 36 HG3 0.02 0.09 0.04 -0.04 2.03 2.14 1dl5A1 PRO 36 HD2 0.09 0.08 0.20 -0.04 3.68 4.02 1dl5A1 PRO 36 HD3 0.03 0.21 0.17 -0.04 3.65 4.02 1dl5A1 LEU 37 H 0.09 0.20 0.22 -0.55 8.37 8.33 1dl5A1 LEU 37 HA 0.13 0.07 0.38 -0.75 4.35 4.17 1dl5A1 LEU 37 HB2 0.09 -0.01 0.15 -0.04 1.64 1.82 1dl5A1 LEU 37 HB3 0.17 0.08 0.03 -0.04 1.64 1.87 1dl5A1 LEU 37 HG 0.08 0.02 0.13 -0.04 1.64 1.84 1dl5A1 LEU 37 HD13 0.06 0.01 0.05 -0.04 0.93 1.01 1dl5A1 LEU 37 HD23 0.18 0.01 0.05 -0.04 0.89 1.08 1dl5A1 SER 38 H 0.10 0.06 -0.27 -0.55 8.46 7.80 1dl5A1 SER 38 HA 0.11 0.17 0.34 -0.75 4.49 4.34 1dl5A1 SER 38 HB2 0.09 0.05 0.03 -0.04 3.95 4.07 1dl5A1 SER 38 HB3 0.07 -0.00 0.06 -0.04 3.93 4.02 1dl5A1 TYR 39 H 0.20 0.41 -0.46 -0.55 8.29 7.90 1dl5A1 TYR 39 HA -0.01 0.09 0.58 -0.75 4.56 4.47 1dl5A1 TYR 39 HB2 0.05 -0.09 0.06 -0.04 3.06 3.03 1dl5A1 TYR 39 HB3 0.04 0.10 0.04 -0.04 2.98 3.12 1dl5A1 TYR 39 HD2 -0.07 -0.00 -0.05 -0.04 7.15 6.98 1dl5A1 TYR 39 HE2 -0.03 -0.02 -0.01 -0.04 6.85 6.75 1dl5A1 VAL 40 H 0.06 0.24 -0.09 -0.55 8.24 7.90 1dl5A1 VAL 40 HA -0.33 0.04 0.32 -0.75 4.13 3.41 1dl5A1 VAL 40 HB -0.10 0.08 0.13 -0.04 2.12 2.19 1dl5A1 VAL 40 HG13 -0.67 -0.03 -0.16 -0.04 0.97 0.07 1dl5A1 VAL 40 HG23 0.00 0.02 -0.12 -0.04 0.95 0.82 1dl5A1 TYR 41 H 0.05 0.38 -0.30 -0.55 8.29 7.87 1dl5A1 TYR 41 HA -0.08 0.21 0.86 -0.75 4.56 4.79 1dl5A1 TYR 41 HB2 -0.04 0.13 -0.01 -0.04 3.06 3.10 1dl5A1 TYR 41 HB3 -0.05 -0.08 0.11 -0.04 2.98 2.92 1dl5A1 TYR 41 HD2 -0.01 0.11 -0.02 -0.04 7.15 7.19 1dl5A1 TYR 41 HE2 0.02 0.08 0.04 -0.04 6.85 6.95 1dl5A1 GLU 42 H -0.16 0.35 -0.51 -0.55 8.60 7.73 1dl5A1 GLU 42 HA -0.03 0.05 0.54 -0.75 4.29 4.09 1dl5A1 GLU 42 HB2 -0.29 0.23 0.09 -0.04 2.09 2.08 1dl5A1 GLU 42 HB3 -0.15 -0.08 -0.07 -0.04 1.99 1.65 1dl5A1 GLU 42 HG2 -0.00 -0.06 0.04 -0.04 2.34 2.27 1dl5A1 GLU 42 HG3 -0.00 0.30 0.10 -0.04 2.34 2.70 1dl5A1 ASP 43 H -0.05 0.13 0.07 -0.55 8.40 8.00 1dl5A1 ASP 43 HA -0.12 0.13 0.54 -0.75 4.63 4.43 1dl5A1 ASP 43 HB2 -0.06 0.06 0.11 -0.04 2.71 2.78 1dl5A1 ASP 43 HB3 -0.05 0.02 0.21 -0.04 2.70 2.85 1dl5A1 ILE 44 H -0.19 0.75 -0.04 -0.55 8.25 8.22 1dl5A1 ILE 44 HA -0.13 0.09 0.88 -0.75 4.18 4.27 1dl5A1 ILE 44 HB -0.16 -0.01 0.06 -0.04 1.89 1.73 1dl5A1 ILE 44 HG12 -0.36 0.01 -0.20 -0.04 1.49 0.89 1dl5A1 ILE 44 HG13 -0.39 0.06 -0.41 -0.04 1.21 0.43 1dl5A1 ILE 44 HG23 -0.12 -0.03 -0.30 -0.04 0.93 0.43 1dl5A1 ILE 44 HD13 -0.83 0.00 -0.06 -0.04 0.88 -0.05 1dl5A1 VAL 45 H -0.11 0.08 0.13 -0.55 8.24 7.79 1dl5A1 VAL 45 HA -0.11 0.26 0.51 -0.75 4.13 4.04 1dl5A1 VAL 45 HB -0.05 -0.01 0.08 -0.04 2.12 2.09 1dl5A1 VAL 45 HG13 -0.03 0.01 -0.19 -0.04 0.97 0.72 1dl5A1 VAL 45 HG23 -0.11 -0.04 0.03 -0.04 0.95 0.79 1dl5A1 LEU 46 H -0.12 0.52 0.30 -0.55 8.37 8.53 1dl5A1 LEU 46 HA -0.14 0.16 0.86 -0.75 4.35 4.48 1dl5A1 LEU 46 HB2 -0.25 -0.08 0.04 -0.04 1.64 1.31 1dl5A1 LEU 46 HB3 -0.47 0.05 -0.05 -0.04 1.64 1.13 1dl5A1 LEU 46 HG -0.37 0.13 -0.39 -0.04 1.64 0.97 1dl5A1 LEU 46 HD13 -0.46 0.02 -0.03 -0.04 0.93 0.42 1dl5A1 LEU 46 HD23 -0.74 0.05 -0.11 -0.04 0.89 0.05 1dl5A1 VAL 47 H 0.14 0.20 0.12 -0.55 8.24 8.15 1dl5A1 VAL 47 HA -0.05 0.07 0.70 -0.75 4.13 4.10 1dl5A1 VAL 47 HB 0.27 0.03 0.13 -0.04 2.12 2.51 1dl5A1 VAL 47 HG13 0.11 -0.01 -0.11 -0.04 0.97 0.92 1dl5A1 VAL 47 HG23 0.29 0.01 0.02 -0.04 0.95 1.22 1dl5A1 SER 48 H -0.03 0.44 0.43 -0.55 8.46 8.75 1dl5A1 SER 48 HA 0.12 0.18 0.86 -0.75 4.49 4.89 1dl5A1 SER 48 HB2 0.10 0.24 0.16 -0.04 3.95 4.41 1dl5A1 SER 48 HB3 0.04 0.01 -0.02 -0.04 3.93 3.91 1dl5A1 TYR 49 H 0.05 0.35 0.20 -0.55 8.29 8.34 1dl5A1 TYR 49 HA 0.03 0.14 0.56 -0.75 4.56 4.54 1dl5A1 TYR 49 HB2 0.01 0.17 -0.22 -0.04 3.06 2.98 1dl5A1 TYR 49 HB3 -0.01 -0.14 -0.06 -0.04 2.98 2.73 1dl5A1 TYR 49 HD2 0.03 0.03 -0.28 -0.04 7.15 6.90 1dl5A1 TYR 49 HE2 0.03 -0.01 -0.11 -0.04 6.85 6.72 1dl5A1 ASP 50 H -0.57 0.28 -0.01 -0.55 8.40 7.56 1dl5A1 ASP 50 HA 0.05 0.28 0.73 -0.75 4.63 4.93 1dl5A1 ASP 50 HB2 0.21 0.06 -0.15 -0.04 2.71 2.79 1dl5A1 ASP 50 HB3 0.01 0.04 0.06 -0.04 2.70 2.77 1dl5A1 ASP 51 H -0.07 0.34 0.21 -0.55 8.40 8.33 1dl5A1 ASP 51 HA -0.14 0.32 0.95 -0.75 4.63 5.01 1dl5A1 ASP 51 HB2 -0.02 0.09 0.22 -0.04 2.71 2.96 1dl5A1 ASP 51 HB3 -0.21 0.05 0.02 -0.04 2.70 2.52 1dl5A1 GLY 52 H 0.01 0.13 -0.12 -0.55 8.43 7.90 1dl5A1 GLY 52 HA2 0.00 0.06 0.30 -0.51 4.01 3.86 1dl5A1 GLY 52 HA3 0.00 0.22 0.68 -0.51 4.01 4.40 1dl5A1 GLU 53 H 0.06 -0.04 -0.52 -0.55 8.60 7.55 1dl5A1 GLU 53 HA 0.05 0.25 0.85 -0.75 4.29 4.69 1dl5A1 GLU 54 H 0.16 -0.02 0.10 -0.55 8.60 8.30 1dl5A1 GLU 54 HA 0.17 0.28 0.93 -0.75 4.29 4.92 1dl5A1 GLU 54 HB2 0.34 -0.04 0.00 -0.04 2.09 2.35 1dl5A1 GLU 54 HB3 0.16 0.00 0.03 -0.04 1.99 2.14 1dl5A1 GLU 54 HG2 0.09 0.14 -0.12 -0.04 2.34 2.41 1dl5A1 GLU 54 HG3 0.11 -0.03 -0.13 -0.04 2.34 2.25 1dl5A1 TYR 55 H 0.28 0.26 0.19 -0.55 8.29 8.46 1dl5A1 TYR 55 HA 0.20 0.32 0.89 -0.75 4.56 5.22 1dl5A1 TYR 55 HB2 0.08 0.02 -0.22 -0.04 3.06 2.90 1dl5A1 TYR 55 HB3 0.10 -0.01 0.02 -0.04 2.98 3.05 1dl5A1 TYR 55 HD2 0.08 -0.01 0.00 -0.04 7.15 7.18 1dl5A1 TYR 55 HE2 0.07 -0.00 -0.05 -0.04 6.85 6.83 1dl5A1 SER 56 H -0.23 0.66 0.41 -0.55 8.46 8.75 1dl5A1 SER 56 HA -0.13 0.14 0.70 -0.75 4.49 4.45 1dl5A1 SER 56 HB2 0.03 -0.01 -0.15 -0.04 3.95 3.78 1dl5A1 SER 56 HB3 0.04 -0.02 -0.02 -0.04 3.93 3.89 1dl5A1 THR 57 H -0.08 0.25 0.25 -0.55 8.28 8.15 1dl5A1 THR 57 HA -0.11 0.07 1.24 -0.75 4.39 4.84 1dl5A1 THR 57 HB -0.05 0.14 -0.07 -0.04 4.32 4.29 1dl5A1 THR 57 HG23 -0.28 -0.02 -0.24 -0.04 1.22 0.65 1dl5A1 SER 58 H -0.05 0.84 0.38 -0.55 8.46 9.08 1dl5A1 SER 58 HA 0.04 -0.00 0.81 -0.75 4.49 4.58 1dl5A1 SER 58 HB2 -0.04 -0.03 0.08 -0.04 3.95 3.92 1dl5A1 SER 58 HB3 -0.12 0.03 0.20 -0.04 3.93 4.01 1dl5A1 SER 59 H 0.07 0.08 0.12 -0.55 8.46 8.18 1dl5A1 SER 59 HA -0.04 0.03 0.33 -0.75 4.49 4.06 1dl5A1 SER 59 HB2 0.08 0.01 -0.04 -0.04 3.95 3.95 1dl5A1 SER 59 HB3 -0.01 -0.02 0.02 -0.04 3.93 3.89 1dl5A1 GLN 60 H -0.14 0.06 0.04 -0.55 8.47 7.88 1dl5A1 GLN 60 HA -0.12 0.29 0.11 -0.75 4.36 3.89 1dl5A1 GLN 60 HB2 -0.15 0.03 -0.00 -0.04 2.15 1.99 1dl5A1 GLN 60 HB3 -0.19 -0.08 0.10 -0.04 2.02 1.81 1dl5A1 GLN 60 HG2 -0.21 -0.36 -0.23 -0.04 2.40 1.56 1dl5A1 GLN 60 HG3 -0.15 0.19 -0.27 -0.04 2.39 2.13 1dl5A1 GLN 60 HE21 -0.05 -0.01 0.03 -0.04 6.97 6.90 1dl5A1 GLN 60 HE22 -0.09 0.26 0.08 -0.04 7.69 7.90 1dl5A1 PRO 61 HA 0.08 0.04 0.35 -0.51 4.44 4.40 1dl5A1 PRO 61 HB2 -0.20 -0.02 0.05 -0.04 2.28 2.06 1dl5A1 PRO 61 HB3 -0.14 0.05 0.02 -0.04 2.02 1.92 1dl5A1 PRO 61 HG2 -0.04 0.17 0.06 -0.04 2.03 2.17 1dl5A1 PRO 61 HG3 0.14 0.05 0.08 -0.04 2.03 2.26 1dl5A1 PRO 61 HD2 -0.12 -0.05 0.14 -0.04 3.68 3.60 1dl5A1 PRO 61 HD3 -0.09 0.41 0.22 -0.04 3.65 4.16 1dl5A1 SER 62 H -0.29 0.17 -0.20 -0.55 8.46 7.59 1dl5A1 SER 62 HA -0.54 0.10 0.37 -0.75 4.49 3.67 1dl5A1 SER 62 HB2 -1.42 0.08 0.02 -0.04 3.95 2.59 1dl5A1 SER 62 HB3 -0.60 0.05 0.05 -0.04 3.93 3.38 1dl5A1 LEU 63 H -0.29 0.18 -0.33 -0.55 8.37 7.38 1dl5A1 LEU 63 HA -0.36 0.11 0.42 -0.75 4.35 3.76 1dl5A1 LEU 63 HB2 -0.27 -0.01 0.05 -0.04 1.64 1.36 1dl5A1 LEU 63 HB3 -0.31 0.08 0.05 -0.04 1.64 1.42 1dl5A1 LEU 63 HG -0.88 0.01 -0.21 -0.04 1.64 0.51 1dl5A1 LEU 63 HD13 -0.15 0.01 -0.00 -0.04 0.93 0.75 1dl5A1 LEU 63 HD23 -0.41 -0.01 -0.04 -0.04 0.89 0.39 1dl5A1 MET 64 H -0.18 0.42 -0.22 -0.55 8.47 7.94 1dl5A1 MET 64 HA -0.06 0.04 0.38 -0.75 4.52 4.13 1dl5A1 MET 64 HB2 0.15 0.16 0.03 -0.04 2.15 2.45 1dl5A1 MET 64 HB3 0.13 -0.01 -0.07 -0.04 2.03 2.04 1dl5A1 MET 64 HG2 -0.02 0.06 -0.17 -0.04 2.63 2.46 1dl5A1 MET 64 HG3 0.07 -0.04 -0.13 -0.04 2.56 2.42 1dl5A1 MET 64 HE3 -0.21 -0.02 -0.22 -0.04 2.10 1.60 1dl5A1 ALA 65 H -0.16 0.53 -0.19 -0.55 8.40 8.03 1dl5A1 ALA 65 HA 0.09 0.03 0.34 -0.75 4.34 4.05 1dl5A1 ALA 65 HB3 -0.35 0.03 0.02 -0.04 1.41 1.06 1dl5A1 LEU 66 H -0.33 0.48 -0.28 -0.55 8.37 7.69 1dl5A1 LEU 66 HA -0.48 0.05 0.41 -0.75 4.35 3.57 1dl5A1 LEU 66 HB2 -0.60 0.08 0.16 -0.04 1.64 1.24 1dl5A1 LEU 66 HB3 -1.41 -0.02 -0.03 -0.04 1.64 0.14 1dl5A1 LEU 66 HG -0.41 0.23 0.07 -0.04 1.64 1.49 1dl5A1 LEU 66 HD13 -0.08 -0.03 -0.04 -0.04 0.93 0.74 1dl5A1 LEU 66 HD23 -0.09 0.00 -0.02 -0.04 0.89 0.75 1dl5A1 PHE 67 H -0.12 0.54 -0.18 -0.55 8.34 8.03 1dl5A1 PHE 67 HA -0.20 0.02 0.36 -0.75 4.62 4.05 1dl5A1 PHE 67 HB2 0.03 0.09 0.17 -0.04 3.15 3.40 1dl5A1 PHE 67 HB3 -0.38 -0.04 -0.08 -0.04 3.06 2.52 1dl5A1 PHE 67 HD2 -0.64 -0.03 -0.08 -0.04 7.28 6.49 1dl5A1 PHE 67 HE2 -0.01 0.06 -0.08 -0.04 7.38 7.31 1dl5A1 PHE 67 HZ 0.28 -0.06 -0.12 -0.04 7.32 7.38 1dl5A1 MET 68 H 0.19 0.54 -0.26 -0.55 8.47 8.39 1dl5A1 MET 68 HA 0.31 -0.01 0.35 -0.75 4.52 4.42 1dl5A1 MET 68 HB2 0.06 0.11 0.11 -0.04 2.15 2.38 1dl5A1 MET 68 HB3 0.03 -0.02 -0.04 -0.04 2.03 1.97 1dl5A1 MET 68 HG2 -0.08 -0.06 -0.06 -0.04 2.63 2.40 1dl5A1 MET 68 HG3 0.20 0.21 0.01 -0.04 2.56 2.94 1dl5A1 MET 68 HE3 -0.22 -0.04 -0.20 -0.04 2.10 1.60 1dl5A1 GLU 69 H -0.06 0.52 -0.18 -0.55 8.60 8.35 1dl5A1 GLU 69 HA 0.07 0.01 0.46 -0.75 4.29 4.08 1dl5A1 GLU 69 HB2 -0.17 0.12 0.19 -0.04 2.09 2.19 1dl5A1 GLU 69 HB3 0.07 -0.01 0.01 -0.04 1.99 2.02 1dl5A1 GLU 69 HG2 -0.06 0.16 0.07 -0.04 2.34 2.47 1dl5A1 GLU 69 HG3 -0.05 -0.01 -0.02 -0.04 2.34 2.21 1dl5A1 TRP 70 H 0.02 0.63 -0.12 -0.55 7.97 7.95 1dl5A1 TRP 70 HA 0.02 0.04 0.40 -0.75 4.62 4.32 1dl5A1 TRP 70 HB2 -0.04 0.06 0.12 -0.04 3.23 3.33 1dl5A1 TRP 70 HB3 -0.07 -0.04 0.01 -0.04 3.23 3.08 1dl5A1 TRP 70 HD1 0.02 -0.02 -0.07 -0.04 7.22 7.11 1dl5A1 TRP 70 HE1 0.03 -0.02 -0.02 -0.04 10.20 10.15 1dl5A1 TRP 70 HE3 -0.25 -0.00 -0.09 -0.04 7.59 7.21 1dl5A1 TRP 70 HZ2 0.03 0.00 -0.05 -0.04 7.44 7.38 1dl5A1 TRP 70 HZ3 0.03 -0.07 -0.13 -0.04 7.13 6.92 1dl5A1 TRP 70 HH2 0.04 -0.04 -0.11 -0.04 7.19 7.03 1dl5A1 VAL 71 H 0.21 0.36 -0.27 -0.55 8.24 7.99 1dl5A1 VAL 71 HA 0.11 0.16 0.70 -0.75 4.13 4.35 1dl5A1 VAL 71 HB 0.11 -0.03 0.06 -0.04 2.12 2.22 1dl5A1 VAL 71 HG13 0.06 0.02 -0.10 -0.04 0.97 0.90 1dl5A1 VAL 71 HG23 0.21 0.00 -0.10 -0.04 0.95 1.03 1dl5A1 GLY 72 H 0.15 0.29 -0.55 -0.55 8.43 7.78 1dl5A1 GLY 72 HA2 0.12 0.03 0.28 -0.51 4.01 3.94 1dl5A1 GLY 72 HA3 0.09 0.02 0.35 -0.51 4.01 3.96 1dl5A1 LEU 73 H 0.12 0.40 -0.09 -0.55 8.37 8.26 1dl5A1 LEU 73 HA 0.07 0.02 0.27 -0.75 4.35 3.96 1dl5A1 LEU 73 HB2 0.09 -0.02 0.04 -0.04 1.64 1.71 1dl5A1 LEU 73 HB3 0.05 -0.07 0.00 -0.04 1.64 1.58 1dl5A1 LEU 73 HG -0.00 0.05 -0.26 -0.04 1.64 1.39 1dl5A1 LEU 73 HD13 -0.00 -0.00 -0.10 -0.04 0.93 0.79 1dl5A1 LEU 73 HD23 -0.14 -0.03 -0.08 -0.04 0.89 0.60 1dl5A1 ASP 74 H 0.06 0.20 0.17 -0.55 8.40 8.28 1dl5A1 ASP 74 HA 0.18 0.09 0.53 -0.75 4.63 4.68 1dl5A1 ASP 74 HB2 0.06 0.18 -0.30 -0.04 2.71 2.61 1dl5A1 ASP 74 HB3 0.01 0.07 -0.03 -0.04 2.70 2.71 1dl5A1 LYS 75 H 0.01 0.04 0.14 -0.55 8.42 8.05 1dl5A1 LYS 75 HA 0.01 0.11 0.43 -0.75 4.32 4.12 1dl5A1 LYS 75 HB2 -0.01 -0.05 0.12 -0.04 1.87 1.89 1dl5A1 LYS 75 HB3 -0.00 -0.01 0.00 -0.04 1.79 1.74 1dl5A1 LYS 75 HG2 0.02 -0.02 0.12 -0.04 1.46 1.53 1dl5A1 LYS 75 HG3 -0.00 -0.07 0.04 -0.04 1.46 1.39 1dl5A1 LYS 75 HD2 0.01 -0.11 -0.08 -0.04 1.69 1.47 1dl5A1 LYS 75 HD3 0.02 0.21 -0.27 -0.04 1.68 1.60 1dl5A1 LYS 75 HE2 0.06 0.01 0.03 -0.04 2.99 3.05 1dl5A1 LYS 75 HE3 0.02 -0.10 0.01 -0.04 2.99 2.88 1dl5A1 GLY 76 H -0.01 0.80 0.35 -0.55 8.43 9.03 1dl5A1 GLY 76 HA2 -0.01 0.00 0.11 -0.51 4.01 3.60 1dl5A1 GLY 76 HA3 -0.01 0.03 0.45 -0.51 4.01 3.97 1dl5A1 MET 77 H 0.00 0.26 -0.11 -0.55 8.47 8.07 1dl5A1 MET 77 HA 0.00 0.13 0.66 -0.75 4.52 4.56 1dl5A1 MET 77 HB2 0.01 0.05 0.09 -0.04 2.15 2.25 1dl5A1 MET 77 HB3 0.02 -0.07 0.01 -0.04 2.03 1.95 1dl5A1 MET 77 HG2 0.02 -0.01 0.01 -0.04 2.63 2.61 1dl5A1 MET 77 HG3 0.02 0.11 -0.12 -0.04 2.56 2.53 1dl5A1 MET 77 HE3 0.03 0.03 -0.00 -0.04 2.10 2.12 1dl5A1 ARG 78 H 0.02 0.12 0.30 -0.55 8.46 8.34 1dl5A1 ARG 78 HA 0.02 0.27 1.06 -0.75 4.34 4.93 1dl5A1 ARG 78 HB2 -0.02 0.08 0.13 -0.04 1.90 2.04 1dl5A1 ARG 78 HB3 0.01 -0.12 0.34 -0.04 1.80 1.99 1dl5A1 ARG 78 HG2 0.16 -0.11 -0.10 -0.04 1.67 1.58 1dl5A1 ARG 78 HG3 0.01 -0.03 0.06 -0.04 1.67 1.67 1dl5A1 ARG 78 HD2 -0.30 0.32 0.11 -0.04 3.22 3.31 1dl5A1 ARG 78 HD3 -0.20 0.18 0.05 -0.04 3.22 3.21 1dl5A1 VAL 79 H 0.03 0.79 0.45 -0.55 8.24 8.95 1dl5A1 VAL 79 HA 0.03 0.22 1.22 -0.75 4.13 4.86 1dl5A1 VAL 79 HB -0.11 0.00 0.08 -0.04 2.12 2.04 1dl5A1 VAL 79 HG13 -0.12 0.00 -0.26 -0.04 0.97 0.55 1dl5A1 VAL 79 HG23 -0.04 0.01 -0.23 -0.04 0.95 0.65 1dl5A1 LEU 80 H -0.26 0.68 0.38 -0.55 8.37 8.62 1dl5A1 LEU 80 HA -0.47 0.27 1.02 -0.75 4.35 4.42 1dl5A1 LEU 80 HB2 -2.14 0.07 0.02 -0.04 1.64 -0.46 1dl5A1 LEU 80 HB3 -0.75 -0.00 0.25 -0.04 1.64 1.10 1dl5A1 LEU 80 HG -0.62 -0.07 -0.29 -0.04 1.64 0.62 1dl5A1 LEU 80 HD13 -0.38 0.04 -0.09 -0.04 0.93 0.47 1dl5A1 LEU 80 HD23 -0.57 -0.01 -0.07 -0.04 0.89 0.19 1dl5A1 GLU 81 H -0.28 0.83 0.36 -0.55 8.60 8.96 1dl5A1 GLU 81 HA -0.14 0.35 0.99 -0.75 4.29 4.74 1dl5A1 GLU 81 HB2 -0.20 0.03 -0.06 -0.04 2.09 1.81 1dl5A1 GLU 81 HB3 -0.24 -0.11 0.06 -0.04 1.99 1.65 1dl5A1 GLU 81 HG2 -0.08 -0.10 -0.45 -0.04 2.34 1.67 1dl5A1 GLU 81 HG3 0.05 0.15 -0.06 -0.04 2.34 2.44 1dl5A1 ILE 82 H -0.19 0.62 0.30 -0.55 8.25 8.43 1dl5A1 ILE 82 HA -0.18 0.06 0.99 -0.75 4.18 4.29 1dl5A1 ILE 82 HB -0.30 -0.02 0.19 -0.04 1.89 1.71 1dl5A1 ILE 82 HG12 -0.79 0.08 -0.26 -0.04 1.49 0.48 1dl5A1 ILE 82 HG13 -1.81 0.05 -0.08 -0.04 1.21 -0.68 1dl5A1 ILE 82 HG23 0.07 -0.03 -0.08 -0.04 0.93 0.86 1dl5A1 ILE 82 HD13 -0.48 0.01 -0.11 -0.04 0.88 0.26 1dl5A1 GLY 83 H -0.02 0.50 0.34 -0.55 8.43 8.71 1dl5A1 GLY 83 HA2 0.07 -0.12 0.46 -0.51 4.01 3.90 1dl5A1 GLY 83 HA3 0.03 0.16 0.70 -0.51 4.01 4.39 1dl5A1 GLY 84 H 0.05 0.51 0.05 -0.55 8.43 8.49 1dl5A1 GLY 84 HA2 0.05 0.05 0.16 -0.51 4.01 3.77 1dl5A1 GLY 84 HA3 0.19 0.07 0.07 -0.51 4.01 3.83 1dl5A1 GLY 85 H 0.15 -0.05 -0.21 -0.55 8.43 7.78 1dl5A1 GLY 85 HA2 0.07 -0.03 0.26 -0.51 4.01 3.80 1dl5A1 GLY 85 HA3 0.09 0.08 0.38 -0.51 4.01 4.05 1dl5A1 THR 86 H 0.08 0.12 0.13 -0.55 8.28 8.06 1dl5A1 THR 86 HA -0.04 0.19 0.57 -0.75 4.39 4.36 1dl5A1 THR 86 HB 0.10 0.11 0.13 -0.04 4.32 4.62 1dl5A1 THR 86 HG23 0.05 -0.01 -0.06 -0.04 1.22 1.15 1dl5A1 GLY 87 H 0.14 0.22 -0.23 -0.55 8.43 8.02 1dl5A1 GLY 87 HA2 0.34 0.02 0.19 -0.51 4.01 4.05 1dl5A1 GLY 87 HA3 0.17 0.29 0.57 -0.51 4.01 4.52 1dl5A1 TYR 88 H -0.08 0.10 -0.06 -0.55 8.29 7.69 1dl5A1 TYR 88 HA -1.83 0.18 0.29 -0.75 4.56 2.44 1dl5A1 TYR 88 HB2 -0.52 0.10 0.06 -0.04 3.06 2.66 1dl5A1 TYR 88 HB3 -0.28 -0.11 0.12 -0.04 2.98 2.67 1dl5A1 TYR 88 HD2 -0.41 -0.02 -0.10 -0.04 7.15 6.58 1dl5A1 TYR 88 HE2 -0.01 0.09 -0.11 -0.04 6.85 6.78 1dl5A1 ASN 89 H -0.13 0.08 -0.08 -0.55 8.53 7.85 1dl5A1 ASN 89 HA -0.56 0.12 0.34 -0.75 4.76 3.90 1dl5A1 ASN 89 HB2 -0.07 -0.03 0.05 -0.04 2.88 2.79 1dl5A1 ASN 89 HB3 -0.11 0.02 -0.04 -0.04 2.79 2.62 1dl5A1 ASN 89 HD21 -0.53 0.05 -0.15 -0.04 7.03 6.36 1dl5A1 ASN 89 HD22 -0.17 -0.00 -0.22 -0.04 7.74 7.31 1dl5A1 ALA 90 H -0.13 0.06 -0.39 -0.55 8.40 7.40 1dl5A1 ALA 90 HA -0.22 0.05 0.27 -0.75 4.34 3.69 1dl5A1 ALA 90 HB3 0.01 0.04 -0.06 -0.04 1.41 1.35 1dl5A1 ALA 91 H -0.23 0.50 -0.26 -0.55 8.40 7.85 1dl5A1 ALA 91 HA -0.07 0.03 0.30 -0.75 4.34 3.85 1dl5A1 ALA 91 HB3 -0.11 0.04 0.00 -0.04 1.41 1.31 1dl5A1 VAL 92 H -0.56 0.45 -0.17 -0.55 8.24 7.41 1dl5A1 VAL 92 HA -0.41 0.11 0.33 -0.75 4.13 3.42 1dl5A1 VAL 92 HB -0.79 0.02 0.07 -0.04 2.12 1.38 1dl5A1 VAL 92 HG13 -1.28 -0.02 -0.28 -0.04 0.97 -0.65 1dl5A1 VAL 92 HG23 -1.12 0.06 -0.06 -0.04 0.95 -0.22 1dl5A1 MET 93 H -0.38 0.61 -0.17 -0.55 8.47 7.98 1dl5A1 MET 93 HA -0.26 0.00 0.34 -0.75 4.52 3.85 1dl5A1 MET 93 HB2 -0.31 0.09 0.02 -0.04 2.15 1.91 1dl5A1 MET 93 HB3 -0.29 -0.03 -0.05 -0.04 2.03 1.63 1dl5A1 MET 93 HG2 -0.45 -0.04 -0.07 -0.04 2.63 2.03 1dl5A1 MET 93 HG3 -0.50 0.19 -0.03 -0.04 2.56 2.18 1dl5A1 MET 93 HE3 -0.46 -0.01 -0.22 -0.04 2.10 1.38 1dl5A1 SER 94 H -0.19 0.42 -0.48 -0.55 8.46 7.67 1dl5A1 SER 94 HA -0.10 0.05 0.25 -0.75 4.49 3.93 1dl5A1 SER 94 HB2 -0.06 -0.05 -0.10 -0.04 3.95 3.70 1dl5A1 SER 94 HB3 -0.09 0.07 -0.00 -0.04 3.93 3.87 1dl5A1 ARG 95 H -0.14 0.40 -0.38 -0.55 8.46 7.79 1dl5A1 ARG 95 HA -0.05 0.03 0.47 -0.75 4.34 4.04 1dl5A1 ARG 95 HB2 -0.12 0.12 0.12 -0.04 1.90 1.98 1dl5A1 ARG 95 HB3 -0.05 -0.07 0.02 -0.04 1.80 1.67 1dl5A1 ARG 95 HG2 -0.09 0.19 0.02 -0.04 1.67 1.75 1dl5A1 ARG 95 HG3 -0.06 -0.00 -0.02 -0.04 1.67 1.54 1dl5A1 ARG 95 HD2 -0.04 -0.03 -0.17 -0.04 3.22 2.94 1dl5A1 ARG 95 HD3 -0.03 0.02 -0.08 -0.04 3.22 3.10 1dl5A1 VAL 96 H -0.12 0.28 -0.23 -0.55 8.24 7.62 1dl5A1 VAL 96 HA -0.00 0.08 0.37 -0.75 4.13 3.83 1dl5A1 VAL 96 HB -0.10 0.10 0.07 -0.04 2.12 2.15 1dl5A1 VAL 96 HG13 0.01 -0.03 -0.36 -0.04 0.97 0.55 1dl5A1 VAL 96 HG23 -0.14 0.05 -0.02 -0.04 0.95 0.80 1dl5A1 VAL 97 H -0.06 0.54 -0.19 -0.55 8.24 7.98 1dl5A1 VAL 97 HA 0.00 0.15 0.30 -0.75 4.13 3.83 1dl5A1 VAL 97 HB -0.02 -0.03 0.18 -0.04 2.12 2.21 1dl5A1 VAL 97 HG13 -0.04 0.03 -0.09 -0.04 0.97 0.82 1dl5A1 VAL 97 HG23 -0.06 0.08 -0.18 -0.04 0.95 0.75 1dl5A1 GLY 98 H -0.03 0.18 -0.68 -0.55 8.43 7.35 1dl5A1 GLY 98 HA2 -0.02 0.09 0.32 -0.51 4.01 3.89 1dl5A1 GLY 98 HA3 -0.01 -0.04 0.39 -0.51 4.01 3.84 1dl5A1 GLU 99 H -0.01 0.10 0.17 -0.55 8.60 8.31 1dl5A1 GLU 99 HA -0.02 0.12 0.39 -0.75 4.29 4.02 1dl5A1 GLU 99 HB2 -0.01 0.03 0.09 -0.04 2.09 2.16 1dl5A1 GLU 99 HB3 -0.01 -0.01 0.14 -0.04 1.99 2.06 1dl5A1 GLU 99 HG2 -0.01 -0.06 0.13 -0.04 2.34 2.36 1dl5A1 GLU 99 HG3 -0.01 0.05 -0.07 -0.04 2.34 2.27 1dl5A1 LYS 100 H -0.02 -0.00 -0.17 -0.55 8.42 7.68 1dl5A1 LYS 100 HA -0.02 0.15 0.71 -0.75 4.32 4.40 1dl5A1 LYS 100 HB2 -0.01 -0.02 0.06 -0.04 1.87 1.85 1dl5A1 LYS 100 HB3 -0.01 0.03 0.14 -0.04 1.79 1.91 1dl5A1 LYS 100 HG2 -0.01 -0.10 0.01 -0.04 1.46 1.31 1dl5A1 LYS 100 HG3 -0.01 -0.01 0.02 -0.04 1.46 1.42 1dl5A1 LYS 100 HD2 -0.01 0.02 0.02 -0.04 1.69 1.68 1dl5A1 LYS 100 HD3 -0.01 0.11 -0.18 -0.04 1.68 1.55 1dl5A1 LYS 100 HE2 -0.01 -0.05 -0.04 -0.04 2.99 2.84 1dl5A1 LYS 100 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1dl5A1 GLY 101 H -0.02 0.28 -0.42 -0.55 8.43 7.71 1dl5A1 GLY 101 HA2 -0.02 0.18 0.53 -0.51 4.01 4.19 1dl5A1 GLY 101 HA3 -0.03 -0.02 0.23 -0.51 4.01 3.68 1dl5A1 LEU 102 H -0.03 0.50 0.33 -0.55 8.37 8.61 1dl5A1 LEU 102 HA -0.06 0.25 0.82 -0.75 4.35 4.61 1dl5A1 LEU 102 HB2 -0.07 0.12 -0.22 -0.04 1.64 1.42 1dl5A1 LEU 102 HB3 -0.05 -0.05 0.02 -0.04 1.64 1.52 1dl5A1 LEU 102 HG -0.11 -0.08 -0.39 -0.04 1.64 1.02 1dl5A1 LEU 102 HD13 -0.16 0.03 -0.10 -0.04 0.93 0.66 1dl5A1 LEU 102 HD23 -0.21 -0.00 -0.10 -0.04 0.89 0.54 1dl5A1 VAL 103 H -0.09 0.72 0.32 -0.55 8.24 8.65 1dl5A1 VAL 103 HA -0.09 0.18 1.10 -0.75 4.13 4.56 1dl5A1 VAL 103 HB -0.11 -0.00 0.16 -0.04 2.12 2.12 1dl5A1 VAL 103 HG13 -0.20 -0.05 -0.22 -0.04 0.97 0.46 1dl5A1 VAL 103 HG23 -0.13 0.02 -0.25 -0.04 0.95 0.55 1dl5A1 VAL 104 H -0.10 0.86 0.38 -0.55 8.24 8.84 1dl5A1 VAL 104 HA -0.15 0.24 0.99 -0.75 4.13 4.46 1dl5A1 VAL 104 HB -0.01 -0.01 0.19 -0.04 2.12 2.25 1dl5A1 VAL 104 HG13 0.11 -0.02 -0.15 -0.04 0.97 0.87 1dl5A1 VAL 104 HG23 0.05 0.02 -0.14 -0.04 0.95 0.84 1dl5A1 SER 105 H -0.40 0.73 0.31 -0.55 8.46 8.55 1dl5A1 SER 105 HA -0.35 0.28 1.11 -0.75 4.49 4.78 1dl5A1 SER 105 HB2 -0.56 0.03 -0.20 -0.04 3.95 3.18 1dl5A1 SER 105 HB3 -1.82 0.01 -0.02 -0.04 3.93 2.05 1dl5A1 VAL 106 H -0.20 0.60 0.34 -0.55 8.24 8.43 1dl5A1 VAL 106 HA -0.02 0.38 1.09 -0.75 4.13 4.83 1dl5A1 VAL 106 HB -0.03 -0.17 0.19 -0.04 2.12 2.07 1dl5A1 VAL 106 HG13 0.11 0.01 -0.33 -0.04 0.97 0.72 1dl5A1 VAL 106 HG23 -0.06 0.06 -0.19 -0.04 0.95 0.72 1dl5A1 GLU 107 H 0.15 0.75 0.36 -0.55 8.60 9.31 1dl5A1 GLU 107 HA 0.15 -0.05 0.99 -0.75 4.29 4.63 1dl5A1 GLU 107 HB2 0.30 -0.04 -0.06 -0.04 2.09 2.25 1dl5A1 GLU 107 HB3 0.26 0.13 0.08 -0.04 1.99 2.42 1dl5A1 GLU 107 HG2 0.09 0.15 -0.24 -0.04 2.34 2.30 1dl5A1 GLU 107 HG3 0.09 0.11 -0.21 -0.04 2.34 2.30 1dl5A1 TYR 108 H 0.25 0.07 0.18 -0.55 8.29 8.24 1dl5A1 TYR 108 HA 0.09 0.19 0.36 -0.75 4.56 4.45 1dl5A1 TYR 108 HB2 0.09 -0.03 0.13 -0.04 3.06 3.20 1dl5A1 TYR 108 HB3 0.08 -0.02 0.08 -0.04 2.98 3.08 1dl5A1 TYR 108 HD2 0.09 0.02 -0.23 -0.04 7.15 6.98 1dl5A1 TYR 108 HE2 0.08 0.01 0.00 -0.04 6.85 6.90 1dl5A1 SER 109 H 0.11 0.02 -0.06 -0.55 8.46 7.99 1dl5A1 SER 109 HA -0.11 0.14 0.59 -0.75 4.49 4.37 1dl5A1 SER 109 HB2 0.01 0.11 0.08 -0.04 3.95 4.11 1dl5A1 SER 109 HB3 -0.01 -0.01 0.10 -0.04 3.93 3.97 1dl5A1 ARG 110 H -0.07 0.21 0.19 -0.55 8.46 8.23 1dl5A1 ARG 110 HA -0.01 0.16 0.37 -0.75 4.34 4.11 1dl5A1 ARG 110 HB2 -0.04 0.07 0.14 -0.04 1.90 2.03 1dl5A1 ARG 110 HB3 -0.03 -0.04 0.10 -0.04 1.80 1.78 1dl5A1 ARG 110 HG2 -0.01 0.05 -0.02 -0.04 1.67 1.65 1dl5A1 ARG 110 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.52 1dl5A1 ARG 110 HD2 0.01 -0.02 0.02 -0.04 3.22 3.18 1dl5A1 ARG 110 HD3 0.00 0.04 0.02 -0.04 3.22 3.24 1dl5A1 LYS 111 H -0.06 0.07 -0.07 -0.55 8.42 7.80 1dl5A1 LYS 111 HA -0.06 0.17 0.38 -0.75 4.32 4.06 1dl5A1 LYS 111 HB2 -0.13 -0.11 0.04 -0.04 1.87 1.63 1dl5A1 LYS 111 HB3 -0.11 0.09 -0.05 -0.04 1.79 1.68 1dl5A1 LYS 111 HG2 0.00 0.10 0.01 -0.04 1.46 1.53 1dl5A1 LYS 111 HG3 -0.01 -0.06 0.05 -0.04 1.46 1.39 1dl5A1 LYS 111 HD2 0.08 -0.08 0.00 -0.04 1.69 1.65 1dl5A1 LYS 111 HD3 0.12 0.05 -0.01 -0.04 1.68 1.80 1dl5A1 LYS 111 HE2 0.04 0.06 0.00 -0.04 2.99 3.05 1dl5A1 LYS 111 HE3 0.03 -0.01 0.01 -0.04 2.99 2.97 1dl5A1 ILE 112 H -0.19 -0.01 -0.31 -0.55 8.25 7.18 1dl5A1 ILE 112 HA -0.36 0.13 0.31 -0.75 4.18 3.51 1dl5A1 ILE 112 HB -0.10 -0.05 -0.02 -0.04 1.89 1.68 1dl5A1 ILE 112 HG12 -0.72 0.07 -0.15 -0.04 1.49 0.65 1dl5A1 ILE 112 HG13 -0.53 -0.09 -0.11 -0.04 1.21 0.43 1dl5A1 ILE 112 HG23 -0.07 0.06 -0.31 -0.04 0.93 0.57 1dl5A1 ILE 112 HD13 -0.02 -0.02 -0.18 -0.04 0.88 0.63 1dl5A1 CYS 113 H -0.05 0.50 -0.28 -0.55 8.50 8.13 1dl5A1 CYS 113 HA -0.01 0.06 0.36 -0.75 4.58 4.24 1dl5A1 CYS 113 HB2 0.09 0.02 0.02 -0.04 2.97 3.07 1dl5A1 CYS 113 HB3 0.03 0.08 0.10 -0.04 2.97 3.14 1dl5A1 GLU 114 H -0.06 0.50 -0.21 -0.55 8.60 8.30 1dl5A1 GLU 114 HA -0.04 0.04 0.42 -0.75 4.29 3.96 1dl5A1 GLU 114 HB2 -0.05 0.08 0.14 -0.04 2.09 2.22 1dl5A1 GLU 114 HB3 -0.03 -0.01 0.01 -0.04 1.99 1.91 1dl5A1 GLU 114 HG2 -0.01 0.11 0.07 -0.04 2.34 2.47 1dl5A1 GLU 114 HG3 -0.01 -0.04 0.00 -0.04 2.34 2.25 1dl5A1 ILE 115 H -0.12 0.32 -0.33 -0.55 8.25 7.57 1dl5A1 ILE 115 HA -0.07 0.05 0.47 -0.75 4.18 3.87 1dl5A1 ILE 115 HB -0.13 0.07 0.15 -0.04 1.89 1.94 1dl5A1 ILE 115 HG12 -0.01 0.01 0.02 -0.04 1.49 1.46 1dl5A1 ILE 115 HG13 -0.08 0.16 0.06 -0.04 1.21 1.31 1dl5A1 ILE 115 HG23 -0.03 0.01 -0.10 -0.04 0.93 0.77 1dl5A1 ILE 115 HD13 -0.02 -0.04 -0.07 -0.04 0.88 0.71 1dl5A1 ALA 116 H -0.22 0.39 -0.22 -0.55 8.40 7.80 1dl5A1 ALA 116 HA -0.24 0.29 0.42 -0.75 4.34 4.06 1dl5A1 ALA 116 HB3 -1.01 0.04 -0.04 -0.04 1.41 0.37 1dl5A1 LYS 117 H -0.25 0.51 -0.11 -0.55 8.42 8.01 1dl5A1 LYS 117 HA -0.11 0.02 0.38 -0.75 4.32 3.86 1dl5A1 LYS 117 HB2 -0.06 0.09 0.14 -0.04 1.87 2.00 1dl5A1 LYS 117 HB3 -0.02 -0.00 0.02 -0.04 1.79 1.75 1dl5A1 LYS 117 HG2 0.08 -0.03 0.05 -0.04 1.46 1.52 1dl5A1 LYS 117 HG3 -0.02 0.11 0.01 -0.04 1.46 1.51 1dl5A1 LYS 117 HD2 0.02 -0.05 -0.05 -0.04 1.69 1.56 1dl5A1 LYS 117 HD3 0.03 0.02 0.01 -0.04 1.68 1.69 1dl5A1 LYS 117 HE2 0.12 0.19 0.01 -0.04 2.99 3.27 1dl5A1 LYS 117 HE3 0.12 -0.12 -0.19 -0.04 2.99 2.76 1dl5A1 ARG 118 H -0.11 0.39 -0.37 -0.55 8.46 7.82 1dl5A1 ARG 118 HA -0.05 0.02 0.46 -0.75 4.34 4.01 1dl5A1 ARG 118 HB2 -0.06 0.04 0.14 -0.04 1.90 1.99 1dl5A1 ARG 118 HB3 -0.08 0.15 0.16 -0.04 1.80 1.99 1dl5A1 ARG 118 HG2 -0.05 -0.02 -0.00 -0.04 1.67 1.56 1dl5A1 ARG 118 HG3 -0.06 -0.02 -0.08 -0.04 1.67 1.48 1dl5A1 ARG 118 HD2 -0.04 -0.01 0.06 -0.04 3.22 3.19 1dl5A1 ARG 118 HD3 -0.03 -0.01 0.02 -0.04 3.22 3.16 1dl5A1 ASN 119 H -0.13 0.55 -0.05 -0.55 8.53 8.35 1dl5A1 ASN 119 HA -0.20 0.01 0.45 -0.75 4.76 4.26 1dl5A1 ASN 119 HB2 -0.13 0.12 0.22 -0.04 2.88 3.05 1dl5A1 ASN 119 HB3 -0.60 -0.08 -0.02 -0.04 2.79 2.04 1dl5A1 ASN 119 HD21 -0.07 -0.14 -0.00 -0.04 7.03 6.79 1dl5A1 ASN 119 HD22 0.01 0.34 0.12 -0.04 7.74 8.17 1dl5A1 VAL 120 H -0.07 0.61 -0.16 -0.55 8.24 8.07 1dl5A1 VAL 120 HA 0.06 -0.02 0.37 -0.75 4.13 3.78 1dl5A1 VAL 120 HB 0.01 0.11 0.14 -0.04 2.12 2.34 1dl5A1 VAL 120 HG13 0.06 0.02 -0.08 -0.04 0.97 0.93 1dl5A1 VAL 120 HG23 0.12 0.02 -0.05 -0.04 0.95 1.00 1dl5A1 GLU 121 H -0.04 0.43 -0.22 -0.55 8.60 8.23 1dl5A1 GLU 121 HA -0.01 0.07 0.45 -0.75 4.29 4.04 1dl5A1 GLU 121 HB2 -0.02 0.10 0.18 -0.04 2.09 2.31 1dl5A1 GLU 121 HB3 -0.03 0.05 0.14 -0.04 1.99 2.11 1dl5A1 GLU 121 HG2 -0.02 -0.02 -0.02 -0.04 2.34 2.25 1dl5A1 GLU 121 HG3 -0.01 -0.00 0.05 -0.04 2.34 2.33 1dl5A1 ARG 122 H -0.06 0.70 -0.01 -0.55 8.46 8.53 1dl5A1 ARG 122 HA -0.04 -0.02 0.42 -0.75 4.34 3.95 1dl5A1 ARG 122 HB2 -0.11 0.10 0.16 -0.04 1.90 2.02 1dl5A1 ARG 122 HB3 -0.07 -0.07 0.05 -0.04 1.80 1.67 1dl5A1 ARG 122 HG2 -0.05 -0.08 0.06 -0.04 1.67 1.56 1dl5A1 ARG 122 HG3 -0.07 0.31 0.08 -0.04 1.67 1.95 1dl5A1 ARG 122 HD2 -0.06 -0.05 0.01 -0.04 3.22 3.08 1dl5A1 ARG 122 HD3 -0.06 -0.07 -0.02 -0.04 3.22 3.03 1dl5A1 LEU 123 H -0.05 0.45 -0.33 -0.55 8.37 7.90 1dl5A1 LEU 123 HA -0.02 0.08 0.64 -0.75 4.35 4.29 1dl5A1 LEU 123 HB2 0.02 0.07 0.09 -0.04 1.64 1.78 1dl5A1 LEU 123 HB3 0.04 -0.05 0.11 -0.04 1.64 1.70 1dl5A1 LEU 123 HG -0.13 0.04 -0.02 -0.04 1.64 1.49 1dl5A1 LEU 123 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 1dl5A1 LEU 123 HD23 -0.01 -0.01 0.03 -0.04 0.89 0.86 1dl5A1 GLY 124 H -0.01 0.44 -0.51 -0.55 8.43 7.80 1dl5A1 GLY 124 HA2 -0.01 0.05 0.29 -0.51 4.01 3.83 1dl5A1 GLY 124 HA3 -0.01 -0.01 0.38 -0.51 4.01 3.86 1dl5A1 ILE 125 H 0.01 0.39 -0.16 -0.55 8.25 7.94 1dl5A1 ILE 125 HA 0.00 0.04 0.53 -0.75 4.18 4.00 1dl5A1 ILE 125 HB 0.04 0.03 0.12 -0.04 1.89 2.04 1dl5A1 ILE 125 HG12 0.02 0.03 -0.08 -0.04 1.49 1.42 1dl5A1 ILE 125 HG13 0.04 0.07 -0.17 -0.04 1.21 1.10 1dl5A1 ILE 125 HG23 0.01 -0.04 -0.17 -0.04 0.93 0.69 1dl5A1 ILE 125 HD13 0.09 -0.01 -0.04 -0.04 0.88 0.87 1dl5A1 GLU 126 H -0.01 0.15 0.19 -0.55 8.60 8.38 1dl5A1 GLU 126 HA -0.01 0.22 0.83 -0.75 4.29 4.58 1dl5A1 GLU 126 HB2 -0.02 0.02 0.05 -0.04 2.09 2.10 1dl5A1 GLU 126 HB3 -0.02 -0.02 0.13 -0.04 1.99 2.05 1dl5A1 GLU 126 HG2 -0.01 0.01 -0.15 -0.04 2.34 2.15 1dl5A1 GLU 126 HG3 -0.01 0.17 0.04 -0.04 2.34 2.49 1dl5A1 ASN 127 H -0.02 0.04 -0.11 -0.55 8.53 7.89 1dl5A1 ASN 127 HA -0.06 0.28 0.99 -0.75 4.76 5.22 1dl5A1 ASN 127 HB2 -0.05 0.21 0.27 -0.04 2.88 3.27 1dl5A1 ASN 127 HB3 -0.04 0.04 -0.01 -0.04 2.79 2.74 1dl5A1 ASN 127 HD21 -0.05 0.18 -0.09 -0.04 7.03 7.03 1dl5A1 ASN 127 HD22 -0.04 0.36 -0.11 -0.04 7.74 7.91 1dl5A1 VAL 128 H -0.02 0.26 -0.34 -0.55 8.24 7.59 1dl5A1 VAL 128 HA -0.06 0.33 0.96 -0.75 4.13 4.61 1dl5A1 VAL 128 HB 0.07 0.01 -0.02 -0.04 2.12 2.14 1dl5A1 VAL 128 HG13 0.16 -0.03 -0.32 -0.04 0.97 0.74 1dl5A1 VAL 128 HG23 -0.02 -0.02 -0.27 -0.04 0.95 0.60 1dl5A1 ILE 129 H -0.11 0.72 0.30 -0.55 8.25 8.60 1dl5A1 ILE 129 HA 0.01 0.18 0.94 -0.75 4.18 4.56 1dl5A1 ILE 129 HB -0.23 -0.04 0.13 -0.04 1.89 1.70 1dl5A1 ILE 129 HG12 -0.15 0.04 -0.11 -0.04 1.49 1.22 1dl5A1 ILE 129 HG13 -0.20 -0.03 -0.29 -0.04 1.21 0.65 1dl5A1 ILE 129 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.68 1dl5A1 ILE 129 HD13 -0.75 0.01 -0.09 -0.04 0.88 0.00 1dl5A1 PHE 130 H 0.22 0.22 0.13 -0.55 8.34 8.35 1dl5A1 PHE 130 HA 0.01 0.24 0.95 -0.75 4.62 5.07 1dl5A1 PHE 130 HB2 0.01 0.03 0.05 -0.04 3.15 3.20 1dl5A1 PHE 130 HB3 0.02 -0.04 -0.12 -0.04 3.06 2.88 1dl5A1 PHE 130 HD2 0.01 0.00 -0.21 -0.04 7.28 7.04 1dl5A1 PHE 130 HE2 0.01 -0.07 -0.24 -0.04 7.38 7.04 1dl5A1 PHE 130 HZ -0.00 -0.04 -0.16 -0.04 7.32 7.07 1dl5A1 VAL 131 H 0.01 0.68 0.37 -0.55 8.24 8.74 1dl5A1 VAL 131 HA 0.12 0.17 0.85 -0.75 4.13 4.52 1dl5A1 VAL 131 HB 0.06 -0.06 -0.04 -0.04 2.12 2.04 1dl5A1 VAL 131 HG13 0.11 -0.00 -0.27 -0.04 0.97 0.76 1dl5A1 VAL 131 HG23 0.15 0.03 -0.27 -0.04 0.95 0.82 1dl5A1 CYS 132 H 0.11 0.22 0.07 -0.55 8.50 8.36 1dl5A1 CYS 132 HA 0.14 0.25 0.87 -0.75 4.58 5.08 1dl5A1 CYS 132 HB2 0.07 0.01 0.18 -0.04 2.97 3.19 1dl5A1 CYS 132 HB3 0.07 -0.02 -0.01 -0.04 2.97 2.97 1dl5A1 GLY 133 H 0.18 0.41 0.08 -0.55 8.43 8.56 1dl5A1 GLY 133 HA2 0.23 0.06 0.32 -0.51 4.01 4.11 1dl5A1 GLY 133 HA3 0.20 0.14 0.34 -0.51 4.01 4.17 1dl5A1 ASP 134 H 0.35 0.22 0.11 -0.55 8.40 8.53 1dl5A1 ASP 134 HA -0.04 0.01 0.57 -0.75 4.63 4.41 1dl5A1 ASP 134 HB2 0.23 0.09 0.17 -0.04 2.71 3.16 1dl5A1 ASP 134 HB3 0.31 0.08 0.19 -0.04 2.70 3.24 1dl5A1 GLY 135 H 0.06 0.13 0.17 -0.55 8.43 8.24 1dl5A1 GLY 135 HA2 0.14 0.15 0.27 -0.51 4.01 4.06 1dl5A1 GLY 135 HA3 0.16 0.04 0.30 -0.51 4.01 4.00 1dl5A1 TYR 136 H 0.10 -0.10 -0.52 -0.55 8.29 7.22 1dl5A1 TYR 136 HA -0.11 0.10 0.29 -0.75 4.56 4.08 1dl5A1 TYR 136 HB2 -0.27 -0.14 -0.07 -0.04 3.06 2.54 1dl5A1 TYR 136 HB3 -0.61 -0.03 -0.01 -0.04 2.98 2.28 1dl5A1 TYR 136 HD2 -0.86 0.02 -0.19 -0.04 7.15 6.09 1dl5A1 TYR 136 HE2 -0.18 0.05 -0.04 -0.04 6.85 6.64 1dl5A1 TYR 137 H 0.07 0.31 -0.27 -0.55 8.29 7.84 1dl5A1 TYR 137 HA 0.02 0.06 0.47 -0.75 4.56 4.35 1dl5A1 TYR 137 HB2 0.13 0.11 0.01 -0.04 3.06 3.26 1dl5A1 TYR 137 HB3 0.10 0.02 0.04 -0.04 2.98 3.10 1dl5A1 TYR 137 HD2 0.16 0.06 0.03 -0.04 7.15 7.36 1dl5A1 TYR 137 HE2 0.14 -0.03 0.01 -0.04 6.85 6.93 1dl5A1 GLY 138 H 0.30 0.28 -0.39 -0.55 8.43 8.07 1dl5A1 GLY 138 HA2 0.06 0.01 0.18 -0.51 4.01 3.75 1dl5A1 GLY 138 HA3 0.22 0.07 0.27 -0.51 4.01 4.05 1dl5A1 VAL 139 H 0.11 0.20 -0.12 -0.55 8.24 7.88 1dl5A1 VAL 139 HA 0.09 0.16 0.60 -0.75 4.13 4.22 1dl5A1 VAL 139 HB 0.23 0.04 0.03 -0.04 2.12 2.37 1dl5A1 VAL 139 HG13 0.20 -0.03 -0.11 -0.04 0.97 0.99 1dl5A1 VAL 139 HG23 0.07 -0.01 -0.40 -0.04 0.95 0.56 1dl5A1 PRO 140 HA 0.07 0.12 0.44 -0.51 4.44 4.56 1dl5A1 PRO 140 HB2 -0.01 0.07 -0.04 -0.04 2.28 2.26 1dl5A1 PRO 140 HB3 0.05 0.06 0.05 -0.04 2.02 2.13 1dl5A1 PRO 140 HG2 -0.02 -0.02 0.02 -0.04 2.03 1.97 1dl5A1 PRO 140 HG3 0.03 0.06 -0.00 -0.04 2.03 2.08 1dl5A1 PRO 140 HD2 0.05 0.10 -0.01 -0.04 3.68 3.78 1dl5A1 PRO 140 HD3 0.10 0.29 -0.11 -0.04 3.65 3.89 1dl5A1 GLU 141 H -0.17 0.06 -0.28 -0.55 8.60 7.67 1dl5A1 GLU 141 HA -0.20 0.10 0.29 -0.75 4.29 3.73 1dl5A1 GLU 141 HB2 -0.51 0.05 0.04 -0.04 2.09 1.63 1dl5A1 GLU 141 HB3 -0.28 -0.04 0.04 -0.04 1.99 1.66 1dl5A1 GLU 141 HG2 -1.35 0.04 -0.17 -0.04 2.34 0.81 1dl5A1 GLU 141 HG3 -1.12 0.02 -0.11 -0.04 2.34 1.10 1dl5A1 PHE 142 H -0.11 0.19 -0.45 -0.55 8.34 7.42 1dl5A1 PHE 142 HA -0.09 0.25 0.89 -0.75 4.62 4.91 1dl5A1 PHE 142 HB2 0.09 -0.02 -0.06 -0.04 3.15 3.12 1dl5A1 PHE 142 HB3 -0.05 0.03 0.06 -0.04 3.06 3.06 1dl5A1 PHE 142 HD2 0.03 0.06 -0.10 -0.04 7.28 7.22 1dl5A1 PHE 142 HE2 0.01 -0.02 -0.11 -0.04 7.38 7.23 1dl5A1 PHE 142 HZ 0.02 -0.02 -0.09 -0.04 7.32 7.19 1dl5A1 SER 143 H -0.13 0.27 -0.19 -0.55 8.46 7.87 1dl5A1 SER 143 HA -0.98 0.05 0.33 -0.75 4.49 3.13 1dl5A1 SER 143 HB2 -0.10 0.10 0.20 -0.04 3.95 4.11 1dl5A1 SER 143 HB3 0.02 -0.13 0.09 -0.04 3.93 3.87 1dl5A1 PRO 144 HA -0.15 0.24 0.40 -0.51 4.44 4.41 1dl5A1 PRO 144 HB2 -0.08 -0.01 -0.06 -0.04 2.28 2.08 1dl5A1 PRO 144 HB3 -0.08 0.05 -0.09 -0.04 2.02 1.86 1dl5A1 PRO 144 HG2 -0.07 -0.03 0.06 -0.04 2.03 1.95 1dl5A1 PRO 144 HG3 -0.07 0.02 -0.01 -0.04 2.03 1.92 1dl5A1 PRO 144 HD2 -0.10 0.04 0.19 -0.04 3.68 3.76 1dl5A1 PRO 144 HD3 -0.09 0.16 0.51 -0.04 3.65 4.20 1dl5A1 TYR 145 H 0.04 0.56 0.41 -0.55 8.29 8.75 1dl5A1 TYR 145 HA -0.02 0.20 0.94 -0.75 4.56 4.92 1dl5A1 TYR 145 HB2 -0.05 -0.01 -0.02 -0.04 3.06 2.94 1dl5A1 TYR 145 HB3 -0.05 0.02 0.08 -0.04 2.98 2.99 1dl5A1 TYR 145 HD2 -0.04 0.05 -0.28 -0.04 7.15 6.85 1dl5A1 TYR 145 HE2 0.00 -0.03 -0.18 -0.04 6.85 6.59 1dl5A1 ASP 146 H 0.10 0.64 0.46 -0.55 8.40 9.05 1dl5A1 ASP 146 HA 0.03 0.10 0.78 -0.75 4.63 4.78 1dl5A1 ASP 146 HB2 0.04 0.01 0.23 -0.04 2.71 2.95 1dl5A1 ASP 146 HB3 0.03 0.05 0.11 -0.04 2.70 2.85 1dl5A1 VAL 147 H 0.08 0.30 0.30 -0.55 8.24 8.38 1dl5A1 VAL 147 HA 0.04 0.37 1.02 -0.75 4.13 4.81 1dl5A1 VAL 147 HB 0.06 -0.10 0.01 -0.04 2.12 2.05 1dl5A1 VAL 147 HG13 0.15 -0.03 -0.32 -0.04 0.97 0.73 1dl5A1 VAL 147 HG23 0.07 -0.00 -0.21 -0.04 0.95 0.77 1dl5A1 ILE 148 H 0.00 0.73 0.37 -0.55 8.25 8.80 1dl5A1 ILE 148 HA -0.25 0.18 0.95 -0.75 4.18 4.31 1dl5A1 ILE 148 HB -0.05 -0.07 0.20 -0.04 1.89 1.93 1dl5A1 ILE 148 HG12 -0.02 0.08 -0.16 -0.04 1.49 1.35 1dl5A1 ILE 148 HG13 0.02 -0.02 -0.15 -0.04 1.21 1.02 1dl5A1 ILE 148 HG23 -0.60 -0.03 -0.08 -0.04 0.93 0.18 1dl5A1 ILE 148 HD13 -0.20 0.02 -0.15 -0.04 0.88 0.52 1dl5A1 PHE 149 H -0.08 0.70 0.22 -0.55 8.34 8.62 1dl5A1 PHE 149 HA -0.08 0.15 0.84 -0.75 4.62 4.78 1dl5A1 PHE 149 HB2 -0.09 0.03 -0.14 -0.04 3.15 2.90 1dl5A1 PHE 149 HB3 -0.14 -0.10 0.08 -0.04 3.06 2.87 1dl5A1 PHE 149 HD2 -0.02 -0.03 -0.24 -0.04 7.28 6.95 1dl5A1 PHE 149 HE2 0.06 -0.03 -0.26 -0.04 7.38 7.12 1dl5A1 PHE 149 HZ 0.12 0.05 -0.04 -0.04 7.32 7.40 1dl5A1 VAL 150 H -0.24 0.68 0.33 -0.55 8.24 8.46 1dl5A1 VAL 150 HA -0.15 -0.01 1.03 -0.75 4.13 4.24 1dl5A1 VAL 150 HB -0.07 0.03 0.38 -0.04 2.12 2.42 1dl5A1 VAL 150 HG13 0.02 -0.05 0.08 -0.04 0.97 0.97 1dl5A1 VAL 150 HG23 -0.18 0.02 -0.07 -0.04 0.95 0.67 1dl5A1 THR 151 H -0.10 0.63 0.32 -0.55 8.28 8.59 1dl5A1 THR 151 HA -0.73 0.18 0.91 -0.75 4.39 4.00 1dl5A1 THR 151 HB 0.06 -0.10 0.21 -0.04 4.32 4.45 1dl5A1 THR 151 HG23 0.21 -0.00 -0.22 -0.04 1.22 1.17 1dl5A1 VAL 152 H -0.23 0.38 -0.08 -0.55 8.24 7.75 1dl5A1 VAL 152 HA 0.08 0.06 0.60 -0.75 4.13 4.11 1dl5A1 VAL 152 HB 0.05 0.02 -0.04 -0.04 2.12 2.11 1dl5A1 VAL 152 HG13 0.05 -0.00 -0.17 -0.04 0.97 0.81 1dl5A1 VAL 152 HG23 0.11 -0.01 -0.08 -0.04 0.95 0.93 1dl5A1 GLY 153 H 0.16 0.66 0.10 -0.55 8.43 8.81 1dl5A1 GLY 153 HA2 0.13 0.22 0.45 -0.51 4.01 4.29 1dl5A1 GLY 153 HA3 0.15 -0.00 0.21 -0.51 4.01 3.85 1dl5A1 VAL 154 H 0.11 0.72 0.41 -0.55 8.24 8.94 1dl5A1 VAL 154 HA 0.07 0.22 1.13 -0.75 4.13 4.80 1dl5A1 VAL 154 HB 0.07 -0.03 0.18 -0.04 2.12 2.29 1dl5A1 VAL 154 HG13 0.25 0.03 -0.13 -0.04 0.97 1.08 1dl5A1 VAL 154 HG23 0.20 0.05 0.01 -0.04 0.95 1.17 1dl5A1 ASP 155 H 0.01 0.59 0.34 -0.55 8.40 8.80 1dl5A1 ASP 155 HA 0.01 0.05 0.52 -0.75 4.63 4.45 1dl5A1 ASP 155 HB2 -0.03 -0.01 0.01 -0.04 2.71 2.64 1dl5A1 ASP 155 HB3 -0.02 0.01 0.03 -0.04 2.70 2.67 1dl5A1 GLU 156 H -0.08 0.19 -0.10 -0.55 8.60 8.07 1dl5A1 GLU 156 HA -0.10 0.17 0.44 -0.75 4.29 4.05 1dl5A1 GLU 156 HB2 -0.15 0.08 -0.01 -0.04 2.09 1.97 1dl5A1 GLU 156 HB3 -0.10 0.11 -0.21 -0.04 1.99 1.75 1dl5A1 GLU 156 HG2 -0.10 -0.15 -0.15 -0.04 2.34 1.89 1dl5A1 GLU 156 HG3 -0.26 -0.02 -0.55 -0.04 2.34 1.47 1dl5A1 VAL 157 H -0.15 0.29 0.01 -0.55 8.24 7.84 1dl5A1 VAL 157 HA -0.56 0.11 0.71 -0.75 4.13 3.64 1dl5A1 VAL 157 HB -0.05 0.04 0.10 -0.04 2.12 2.17 1dl5A1 VAL 157 HG13 0.12 0.02 -0.18 -0.04 0.97 0.89 1dl5A1 VAL 157 HG23 0.15 -0.00 -0.14 -0.04 0.95 0.92 1dl5A1 PRO 158 HA -0.30 0.12 0.41 -0.51 4.44 4.16 1dl5A1 PRO 158 HB2 -1.04 -0.04 0.05 -0.04 2.28 1.20 1dl5A1 PRO 158 HB3 -0.92 0.04 0.11 -0.04 2.02 1.20 1dl5A1 PRO 158 HG2 -1.20 0.03 0.08 -0.04 2.03 0.90 1dl5A1 PRO 158 HG3 -0.59 0.03 -0.02 -0.04 2.03 1.41 1dl5A1 PRO 158 HD2 -3.22 0.05 0.14 -0.04 3.68 0.61 1dl5A1 PRO 158 HD3 -1.52 0.40 0.17 -0.04 3.65 2.67 1dl5A1 GLU 159 H -0.11 0.18 0.15 -0.55 8.60 8.28 1dl5A1 GLU 159 HA 0.11 0.14 0.36 -0.75 4.29 4.14 1dl5A1 GLU 159 HB2 0.10 0.07 0.13 -0.04 2.09 2.35 1dl5A1 GLU 159 HB3 0.00 -0.02 0.08 -0.04 1.99 2.01 1dl5A1 GLU 159 HG2 0.08 -0.01 -0.18 -0.04 2.34 2.19 1dl5A1 GLU 159 HG3 0.17 0.03 0.03 -0.04 2.34 2.53 1dl5A1 THR 160 H -0.25 0.05 -0.36 -0.55 8.28 7.17 1dl5A1 THR 160 HA 0.02 0.08 0.30 -0.75 4.39 4.04 1dl5A1 THR 160 HB 0.10 0.11 -0.20 -0.04 4.32 4.29 1dl5A1 THR 160 HG23 -0.06 -0.03 0.01 -0.04 1.22 1.11 1dl5A1 TRP 161 H -0.10 0.20 -0.29 -0.55 7.97 7.24 1dl5A1 TRP 161 HA -0.06 0.02 0.27 -0.75 4.62 4.10 1dl5A1 TRP 161 HB2 -0.09 0.12 -0.06 -0.04 3.23 3.16 1dl5A1 TRP 161 HB3 -0.08 0.01 -0.10 -0.04 3.23 3.02 1dl5A1 TRP 161 HD1 -0.11 -0.07 -0.25 -0.04 7.22 6.74 1dl5A1 TRP 161 HE1 -0.14 0.36 -0.01 -0.04 10.20 10.36 1dl5A1 TRP 161 HE3 -0.05 0.04 -0.06 -0.04 7.59 7.48 1dl5A1 TRP 161 HZ2 -0.07 -0.17 -0.21 -0.04 7.44 6.94 1dl5A1 TRP 161 HZ3 -0.03 0.03 -0.03 -0.04 7.13 7.05 1dl5A1 TRP 161 HH2 -0.04 -0.04 -0.01 -0.04 7.19 7.06 1dl5A1 PHE 162 H 0.05 0.25 -0.33 -0.55 8.34 7.76 1dl5A1 PHE 162 HA -0.19 0.04 0.25 -0.75 4.62 3.96 1dl5A1 PHE 162 HB2 -1.08 -0.00 -0.05 -0.04 3.15 1.97 1dl5A1 PHE 162 HB3 -0.46 0.07 0.06 -0.04 3.06 2.69 1dl5A1 PHE 162 HD2 -0.37 -0.02 -0.21 -0.04 7.28 6.65 1dl5A1 PHE 162 HE2 -0.08 0.04 -0.31 -0.04 7.38 7.00 1dl5A1 PHE 162 HZ -0.04 -0.21 -0.25 -0.04 7.32 6.78 1dl5A1 THR 163 H 0.07 0.57 -0.16 -0.55 8.28 8.22 1dl5A1 THR 163 HA -0.07 0.04 0.41 -0.75 4.39 4.01 1dl5A1 THR 163 HB 0.05 0.07 0.08 -0.04 4.32 4.48 1dl5A1 THR 163 HG23 0.01 -0.02 -0.08 -0.04 1.22 1.09 1dl5A1 GLN 164 H 0.06 0.39 -0.31 -0.55 8.47 8.06 1dl5A1 GLN 164 HA 0.03 0.06 0.46 -0.75 4.36 4.16 1dl5A1 GLN 164 HB2 0.17 0.05 0.04 -0.04 2.15 2.38 1dl5A1 GLN 164 HB3 0.35 -0.10 0.05 -0.04 2.02 2.28 1dl5A1 GLN 164 HG2 0.11 -0.03 -0.04 -0.04 2.40 2.40 1dl5A1 GLN 164 HG3 0.10 0.10 -0.02 -0.04 2.39 2.52 1dl5A1 GLN 164 HE21 0.16 0.15 -0.06 -0.04 6.97 7.18 1dl5A1 GLN 164 HE22 0.12 0.03 -0.07 -0.04 7.69 7.72 1dl5A1 LEU 165 H -0.10 0.34 -0.63 -0.55 8.37 7.43 1dl5A1 LEU 165 HA 0.04 0.01 0.81 -0.75 4.35 4.45 1dl5A1 LEU 165 HB2 -0.03 -0.01 -0.08 -0.04 1.64 1.49 1dl5A1 LEU 165 HB3 -0.23 0.09 0.04 -0.04 1.64 1.50 1dl5A1 LEU 165 HG -0.07 0.22 -0.14 -0.04 1.64 1.60 1dl5A1 LEU 165 HD13 0.02 0.02 -0.26 -0.04 0.93 0.67 1dl5A1 LEU 165 HD23 -0.03 -0.04 -0.32 -0.04 0.89 0.46 1dl5A1 LYS 166 H -0.02 0.61 0.28 -0.55 8.42 8.73 1dl5A1 LYS 166 HA -0.07 0.03 0.46 -0.75 4.32 3.99 1dl5A1 LYS 166 HB2 -0.02 0.01 0.06 -0.04 1.87 1.87 1dl5A1 LYS 166 HB3 -0.03 0.04 0.07 -0.04 1.79 1.82 1dl5A1 LYS 166 HG2 -0.05 -0.04 -0.02 -0.04 1.46 1.32 1dl5A1 LYS 166 HG3 -0.03 0.07 -0.19 -0.04 1.46 1.26 1dl5A1 LYS 166 HD2 -0.01 -0.01 -0.07 -0.04 1.69 1.55 1dl5A1 LYS 166 HD3 -0.02 -0.01 -0.02 -0.04 1.68 1.59 1dl5A1 LYS 166 HE2 -0.04 -0.00 -0.05 -0.04 2.99 2.85 1dl5A1 LYS 166 HE3 -0.04 0.03 -0.20 -0.04 2.99 2.75 1dl5A1 GLU 167 H -0.06 0.08 0.19 -0.55 8.60 8.27 1dl5A1 GLU 167 HA -0.07 0.01 0.48 -0.75 4.29 3.96 1dl5A1 GLU 167 HB2 -0.03 -0.01 0.17 -0.04 2.09 2.18 1dl5A1 GLU 167 HB3 -0.02 -0.02 0.18 -0.04 1.99 2.09 1dl5A1 GLU 167 HG2 0.01 -0.03 0.03 -0.04 2.34 2.31 1dl5A1 GLU 167 HG3 0.01 0.11 -0.09 -0.04 2.34 2.32 1dl5A1 GLY 168 H 0.00 0.57 0.38 -0.55 8.43 8.84 1dl5A1 GLY 168 HA2 0.03 0.01 0.45 -0.51 4.01 3.98 1dl5A1 GLY 168 HA3 0.01 0.05 0.62 -0.51 4.01 4.18 1dl5A1 GLY 169 H -0.02 0.48 -0.33 -0.55 8.43 8.01 1dl5A1 GLY 169 HA2 0.02 0.13 0.59 -0.51 4.01 4.25 1dl5A1 GLY 169 HA3 0.00 0.03 0.35 -0.51 4.01 3.89 1dl5A1 ARG 170 H 0.04 0.48 0.47 -0.55 8.46 8.90 1dl5A1 ARG 170 HA 0.07 0.30 1.22 -0.75 4.34 5.18 1dl5A1 ARG 170 HB2 0.06 -0.01 0.20 -0.04 1.90 2.12 1dl5A1 ARG 170 HB3 0.06 -0.07 0.09 -0.04 1.80 1.83 1dl5A1 ARG 170 HG2 0.06 -0.00 0.06 -0.04 1.67 1.74 1dl5A1 ARG 170 HG3 0.05 0.04 0.07 -0.04 1.67 1.79 1dl5A1 ARG 170 HD2 0.05 -0.04 -0.00 -0.04 3.22 3.18 1dl5A1 ARG 170 HD3 0.05 -0.05 -0.23 -0.04 3.22 2.94 1dl5A1 VAL 171 H 0.12 0.62 0.34 -0.55 8.24 8.77 1dl5A1 VAL 171 HA 0.04 0.25 1.01 -0.75 4.13 4.68 1dl5A1 VAL 171 HB 0.31 -0.08 0.04 -0.04 2.12 2.35 1dl5A1 VAL 171 HG13 0.20 -0.02 -0.21 -0.04 0.97 0.91 1dl5A1 VAL 171 HG23 0.11 -0.00 -0.26 -0.04 0.95 0.76 1dl5A1 ILE 172 H -0.10 0.54 0.35 -0.55 8.25 8.50 1dl5A1 ILE 172 HA -0.19 0.30 1.04 -0.75 4.18 4.58 1dl5A1 ILE 172 HB -0.25 0.07 0.04 -0.04 1.89 1.71 1dl5A1 ILE 172 HG12 -1.48 -0.07 -0.00 -0.04 1.49 -0.10 1dl5A1 ILE 172 HG13 -1.27 -0.04 -0.13 -0.04 1.21 -0.27 1dl5A1 ILE 172 HG23 -0.66 -0.01 0.14 -0.04 0.93 0.35 1dl5A1 ILE 172 HD13 -0.28 0.07 -0.05 -0.04 0.88 0.58 1dl5A1 VAL 173 H -0.06 0.64 0.28 -0.55 8.24 8.55 1dl5A1 VAL 173 HA -0.04 0.20 0.94 -0.75 4.13 4.47 1dl5A1 VAL 173 HB 0.17 0.02 -0.29 -0.04 2.12 1.98 1dl5A1 VAL 173 HG13 0.33 0.00 -0.14 -0.04 0.97 1.12 1dl5A1 VAL 173 HG23 0.23 -0.01 -0.26 -0.04 0.95 0.87 1dl5A1 PRO 174 HA 0.22 0.17 0.71 -0.51 4.44 5.03 1dl5A1 PRO 174 HB2 0.30 -0.02 -0.12 -0.04 2.28 2.39 1dl5A1 PRO 174 HB3 0.38 -0.01 -0.04 -0.04 2.02 2.32 1dl5A1 PRO 174 HG2 0.01 0.07 -0.04 -0.04 2.03 2.03 1dl5A1 PRO 174 HG3 -0.49 -0.05 -0.17 -0.04 2.03 1.28 1dl5A1 PRO 174 HD2 -0.03 0.06 0.26 -0.04 3.68 3.92 1dl5A1 PRO 174 HD3 -0.07 0.27 0.13 -0.04 3.65 3.94 1dl5A1 ILE 175 H 0.28 0.83 0.28 -0.55 8.25 9.08 1dl5A1 ILE 175 HA 0.12 0.31 0.92 -0.75 4.18 4.78 1dl5A1 ILE 175 HB 0.27 0.00 0.04 -0.04 1.89 2.16 1dl5A1 ILE 175 HG12 0.28 0.01 -0.24 -0.04 1.49 1.50 1dl5A1 ILE 175 HG13 -0.07 -0.01 -0.13 -0.04 1.21 0.95 1dl5A1 ILE 175 HG23 -0.02 -0.01 -0.30 -0.04 0.93 0.57 1dl5A1 ILE 175 HD13 0.06 0.02 -0.27 -0.04 0.88 0.65 1dl5A1 ASN 176 H 0.07 0.58 0.00 -0.55 8.53 8.64 1dl5A1 ASN 176 HA 0.09 0.14 0.59 -0.75 4.76 4.83 1dl5A1 ASN 176 HB2 0.05 -0.04 0.05 -0.04 2.88 2.89 1dl5A1 ASN 176 HB3 0.06 -0.04 -0.03 -0.04 2.79 2.74 1dl5A1 ASN 176 HD21 0.07 0.33 -0.26 -0.04 7.03 7.13 1dl5A1 ASN 176 HD22 0.05 -0.05 -0.12 -0.04 7.74 7.58 1dl5A1 LEU 177 H 0.07 0.69 0.22 -0.55 8.37 8.80 1dl5A1 LEU 177 HA -0.03 0.12 0.68 -0.75 4.35 4.37 1dl5A1 LEU 177 HB2 -0.02 0.12 -0.02 -0.04 1.64 1.68 1dl5A1 LEU 177 HB3 0.05 -0.05 0.15 -0.04 1.64 1.75 1dl5A1 LEU 177 HG -0.04 -0.14 -0.03 -0.04 1.64 1.39 1dl5A1 LEU 177 HD13 -0.20 0.01 0.01 -0.04 0.93 0.71 1dl5A1 LEU 177 HD23 -0.07 0.01 -0.03 -0.04 0.89 0.75 1dl5A1 LYS 178 H 0.04 0.39 -0.26 -0.55 8.42 8.04 1dl5A1 LYS 178 HA 0.07 0.09 0.40 -0.75 4.32 4.12 1dl5A1 LYS 178 HB2 0.08 -0.01 0.05 -0.04 1.87 1.96 1dl5A1 LYS 178 HB3 0.08 0.04 0.02 -0.04 1.79 1.88 1dl5A1 LYS 178 HG2 0.06 0.02 -0.03 -0.04 1.46 1.48 1dl5A1 LYS 178 HG3 0.05 0.04 -0.10 -0.04 1.46 1.41 1dl5A1 LYS 178 HD2 0.05 -0.04 0.01 -0.04 1.69 1.67 1dl5A1 LYS 178 HD3 0.06 0.01 0.00 -0.04 1.68 1.71 1dl5A1 LYS 178 HE2 0.06 0.00 0.00 -0.04 2.99 3.01 1dl5A1 LYS 178 HE3 0.05 0.00 0.00 -0.04 2.99 3.00 1dl5A1 LEU 179 H 0.03 0.12 -0.18 -0.55 8.37 7.79 1dl5A1 LEU 179 HA 0.15 0.11 0.35 -0.75 4.35 4.21 1dl5A1 LEU 179 HB2 -0.18 0.04 0.05 -0.04 1.64 1.51 1dl5A1 LEU 179 HB3 -0.07 -0.00 0.03 -0.04 1.64 1.56 1dl5A1 LEU 179 HG -0.13 -0.09 -0.06 -0.04 1.64 1.31 1dl5A1 LEU 179 HD13 -0.28 0.02 -0.28 -0.04 0.93 0.36 1dl5A1 LEU 179 HD23 -0.54 0.01 -0.10 -0.04 0.89 0.22 1dl5A1 SER 180 H 0.06 0.27 -0.61 -0.55 8.46 7.64 1dl5A1 SER 180 HA 0.16 0.19 0.80 -0.75 4.49 4.89 1dl5A1 SER 180 HB2 0.11 0.00 -0.02 -0.04 3.95 4.00 1dl5A1 SER 180 HB3 0.19 0.00 0.09 -0.04 3.93 4.17 1dl5A1 ARG 181 H 0.08 0.34 -0.12 -0.55 8.46 8.20 1dl5A1 ARG 181 HA 0.07 -0.01 0.34 -0.75 4.34 3.99 1dl5A1 ARG 181 HB2 0.06 0.13 -0.08 -0.04 1.90 1.97 1dl5A1 ARG 181 HB3 0.06 -0.04 0.20 -0.04 1.80 1.97 1dl5A1 ARG 181 HG2 0.07 0.13 -0.01 -0.04 1.67 1.82 1dl5A1 ARG 181 HG3 0.05 -0.01 -0.13 -0.04 1.67 1.55 1dl5A1 ARG 181 HD2 0.06 -0.02 0.03 -0.04 3.22 3.25 1dl5A1 ARG 181 HD3 0.05 -0.02 -0.00 -0.04 3.22 3.21 1dl5A1 ARG 182 H 0.08 0.45 -0.07 -0.55 8.46 8.36 1dl5A1 ARG 182 HA 0.09 0.21 0.85 -0.75 4.34 4.74 1dl5A1 ARG 182 HB2 0.13 -0.06 -0.06 -0.04 1.90 1.87 1dl5A1 ARG 182 HB3 0.14 -0.08 0.02 -0.04 1.80 1.84 1dl5A1 ARG 182 HG2 0.09 0.01 -0.02 -0.04 1.67 1.71 1dl5A1 ARG 182 HG3 0.10 0.38 -0.41 -0.04 1.67 1.71 1dl5A1 ARG 182 HD2 0.10 0.01 -0.03 -0.04 3.22 3.26 1dl5A1 ARG 182 HD3 0.16 -0.07 -0.05 -0.04 3.22 3.22 1dl5A1 GLN 183 H 0.13 0.16 0.05 -0.55 8.47 8.26 1dl5A1 GLN 183 HA 0.14 0.37 0.97 -0.75 4.36 5.09 1dl5A1 GLN 183 HB2 0.13 -0.02 -0.14 -0.04 2.15 2.08 1dl5A1 GLN 183 HB3 0.14 0.19 0.24 -0.04 2.02 2.55 1dl5A1 GLN 183 HG2 0.23 -0.04 -0.18 -0.04 2.40 2.36 1dl5A1 GLN 183 HG3 0.17 0.03 -0.26 -0.04 2.39 2.30 1dl5A1 GLN 183 HE21 0.22 0.41 -0.16 -0.04 6.97 7.40 1dl5A1 GLN 183 HE22 0.16 -0.02 -0.17 -0.04 7.69 7.63 1dl5A1 PRO 184 HA 0.22 0.11 0.71 -0.51 4.44 4.97 1dl5A1 PRO 184 HB2 0.07 0.07 -0.04 -0.04 2.28 2.35 1dl5A1 PRO 184 HB3 0.40 -0.02 0.04 -0.04 2.02 2.40 1dl5A1 PRO 184 HG2 0.33 0.04 0.06 -0.04 2.03 2.41 1dl5A1 PRO 184 HG3 -0.06 -0.00 -0.01 -0.04 2.03 1.91 1dl5A1 PRO 184 HD2 0.13 0.28 0.07 -0.04 3.68 4.11 1dl5A1 PRO 184 HD3 0.17 -0.00 -0.12 -0.04 3.65 3.66 1dl5A1 ALA 185 H -0.10 0.64 0.46 -0.55 8.40 8.86 1dl5A1 ALA 185 HA 0.14 0.25 1.08 -0.75 4.34 5.06 1dl5A1 ALA 185 HB3 0.13 -0.02 0.00 -0.04 1.41 1.48 1dl5A1 PHE 186 H 0.17 0.68 0.36 -0.55 8.34 8.99 1dl5A1 PHE 186 HA -0.29 0.19 1.11 -0.75 4.62 4.88 1dl5A1 PHE 186 HB2 -0.32 -0.02 -0.08 -0.04 3.15 2.69 1dl5A1 PHE 186 HB3 -0.87 0.08 -0.17 -0.04 3.06 2.05 1dl5A1 PHE 186 HD2 -0.04 0.07 -0.29 -0.04 7.28 6.98 1dl5A1 PHE 186 HE2 0.09 0.04 -0.15 -0.04 7.38 7.33 1dl5A1 PHE 186 HZ -0.53 -0.07 -0.13 -0.04 7.32 6.55 1dl5A1 LEU 187 H -0.35 0.63 0.31 -0.55 8.37 8.41 1dl5A1 LEU 187 HA -0.17 0.26 1.11 -0.75 4.35 4.80 1dl5A1 LEU 187 HB2 -0.28 -0.07 0.03 -0.04 1.64 1.29 1dl5A1 LEU 187 HB3 -0.30 -0.01 0.21 -0.04 1.64 1.50 1dl5A1 LEU 187 HG -0.09 0.02 -0.22 -0.04 1.64 1.31 1dl5A1 LEU 187 HD13 -0.01 0.04 -0.04 -0.04 0.93 0.88 1dl5A1 LEU 187 HD23 -0.15 0.01 -0.01 -0.04 0.89 0.70 1dl5A1 PHE 188 H 0.07 0.69 0.38 -0.55 8.34 8.93 1dl5A1 PHE 188 HA 0.01 0.27 0.95 -0.75 4.62 5.10 1dl5A1 PHE 188 HB2 0.05 -0.05 -0.04 -0.04 3.15 3.07 1dl5A1 PHE 188 HB3 0.05 -0.02 -0.16 -0.04 3.06 2.88 1dl5A1 PHE 188 HD2 0.02 0.01 -0.42 -0.04 7.28 6.85 1dl5A1 PHE 188 HE2 -0.08 -0.01 -0.19 -0.04 7.38 7.05 1dl5A1 PHE 188 HZ -0.48 -0.01 -0.19 -0.04 7.32 6.60 1dl5A1 LYS 189 H 0.19 0.54 0.35 -0.55 8.42 8.95 1dl5A1 LYS 189 HA 0.09 0.36 0.97 -0.75 4.32 4.99 1dl5A1 LYS 189 HB2 0.05 -0.00 -0.01 -0.04 1.87 1.87 1dl5A1 LYS 189 HB3 0.07 -0.06 0.12 -0.04 1.79 1.88 1dl5A1 LYS 189 HG2 0.06 -0.02 -0.14 -0.04 1.46 1.32 1dl5A1 LYS 189 HG3 0.05 0.24 -0.01 -0.04 1.46 1.70 1dl5A1 LYS 189 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.67 1dl5A1 LYS 189 HD3 0.04 -0.09 -0.03 -0.04 1.68 1.56 1dl5A1 LYS 189 HE2 0.03 -0.08 0.02 -0.04 2.99 2.92 1dl5A1 LYS 189 HE3 0.04 -0.05 0.05 -0.04 2.99 2.99 1dl5A1 LYS 190 H 0.05 0.72 0.17 -0.55 8.42 8.81 1dl5A1 LYS 190 HA 0.16 0.18 0.89 -0.75 4.32 4.79 1dl5A1 LYS 190 HB2 -0.06 -0.00 -0.01 -0.04 1.87 1.75 1dl5A1 LYS 190 HB3 -0.05 0.02 0.22 -0.04 1.79 1.94 1dl5A1 LYS 190 HG2 -0.10 -0.24 -0.23 -0.04 1.46 0.85 1dl5A1 LYS 190 HG3 -0.11 0.03 -0.09 -0.04 1.46 1.24 1dl5A1 LYS 190 HD2 -0.83 0.02 -0.09 -0.04 1.69 0.75 1dl5A1 LYS 190 HD3 -0.31 0.20 -0.43 -0.04 1.68 1.10 1dl5A1 LYS 190 HE2 -0.31 -0.19 -0.08 -0.04 2.99 2.37 1dl5A1 LYS 190 HE3 -1.08 -0.13 -0.09 -0.04 2.99 1.65 1dl5A1 LYS 191 H 0.22 0.83 0.20 -0.55 8.42 9.12 1dl5A1 LYS 191 HA 0.10 0.07 0.76 -0.75 4.32 4.49 1dl5A1 LYS 191 HB2 0.11 0.03 -0.11 -0.04 1.87 1.86 1dl5A1 LYS 191 HB3 0.18 -0.03 0.13 -0.04 1.79 2.03 1dl5A1 LYS 191 HG2 0.15 0.07 -0.06 -0.04 1.46 1.59 1dl5A1 LYS 191 HG3 0.10 -0.00 0.05 -0.04 1.46 1.57 1dl5A1 LYS 191 HD2 0.09 -0.02 -0.02 -0.04 1.69 1.70 1dl5A1 LYS 191 HD3 0.09 0.01 -0.02 -0.04 1.68 1.71 1dl5A1 LYS 191 HE2 0.14 -0.00 -0.04 -0.04 2.99 3.05 1dl5A1 LYS 191 HE3 0.15 0.01 -0.04 -0.04 2.99 3.07 1dl5A1 ASP 192 H 0.10 0.12 0.01 -0.55 8.40 8.08 1dl5A1 ASP 192 HA 0.37 -0.01 0.39 -0.75 4.63 4.63 1dl5A1 ASP 192 HB2 0.04 0.02 0.12 -0.04 2.71 2.86 1dl5A1 ASP 192 HB3 0.08 -0.01 0.07 -0.04 2.70 2.80 1dl5A1 PRO 193 HA 0.26 0.02 0.32 -0.51 4.44 4.53 1dl5A1 PRO 193 HB2 -0.25 0.18 0.20 -0.04 2.28 2.37 1dl5A1 PRO 193 HB3 -0.03 0.01 0.10 -0.04 2.02 2.05 1dl5A1 PRO 193 HG2 -0.81 -0.01 -0.08 -0.04 2.03 1.08 1dl5A1 PRO 193 HG3 -0.16 0.01 0.02 -0.04 2.03 1.86 1dl5A1 PRO 193 HD2 0.23 0.10 0.28 -0.04 3.68 4.25 1dl5A1 PRO 193 HD3 0.07 0.07 0.17 -0.04 3.65 3.92 1dl5A1 TYR 194 H 0.33 0.54 -0.05 -0.55 8.29 8.55 1dl5A1 TYR 194 HA 0.03 0.38 1.11 -0.75 4.56 5.33 1dl5A1 TYR 194 HB2 0.13 0.06 -0.12 -0.04 3.06 3.09 1dl5A1 TYR 194 HB3 0.06 -0.03 -0.24 -0.04 2.98 2.73 1dl5A1 TYR 194 HD2 0.06 0.06 -0.49 -0.04 7.15 6.74 1dl5A1 TYR 194 HE2 0.14 0.12 -0.06 -0.04 6.85 7.01 1dl5A1 LEU 195 H 0.17 0.58 0.22 -0.55 8.37 8.79 1dl5A1 LEU 195 HA 0.19 0.18 0.67 -0.75 4.35 4.63 1dl5A1 LEU 195 HB2 -0.14 0.01 0.14 -0.04 1.64 1.61 1dl5A1 LEU 195 HB3 -0.36 -0.04 -0.09 -0.04 1.64 1.12 1dl5A1 LEU 195 HG 0.14 0.01 -0.21 -0.04 1.64 1.54 1dl5A1 LEU 195 HD13 -0.13 -0.01 -0.14 -0.04 0.93 0.60 1dl5A1 LEU 195 HD23 0.15 0.01 -0.22 -0.04 0.89 0.79 1dl5A1 VAL 196 H 0.16 0.73 0.29 -0.55 8.24 8.87 1dl5A1 VAL 196 HA -0.04 0.36 1.20 -0.75 4.13 4.89 1dl5A1 VAL 196 HB 0.01 0.01 0.15 -0.04 2.12 2.25 1dl5A1 VAL 196 HG13 -0.42 -0.00 -0.09 -0.04 0.97 0.42 1dl5A1 VAL 196 HG23 0.04 -0.01 -0.14 -0.04 0.95 0.79 1dl5A1 GLY 197 H 0.09 0.62 0.40 -0.55 8.43 8.99 1dl5A1 GLY 197 HA2 -0.04 0.12 0.75 -0.51 4.01 4.33 1dl5A1 GLY 197 HA3 -0.16 0.13 0.48 -0.51 4.01 3.95 1dl5A1 ASN 198 H -0.24 0.53 0.39 -0.55 8.53 8.67 1dl5A1 ASN 198 HA 0.06 0.18 1.04 -0.75 4.76 5.29 1dl5A1 ASN 198 HB2 -0.14 0.02 0.04 -0.04 2.88 2.75 1dl5A1 ASN 198 HB3 -0.04 0.09 0.13 -0.04 2.79 2.93 1dl5A1 ASN 198 HD21 -0.05 -0.01 -0.10 -0.04 7.03 6.82 1dl5A1 ASN 198 HD22 -0.11 0.05 -0.00 -0.04 7.74 7.63 1dl5A1 TYR 199 H 0.17 0.24 0.22 -0.55 8.29 8.38 1dl5A1 TYR 199 HA -0.78 0.04 0.54 -0.75 4.56 3.60 1dl5A1 TYR 199 HB2 -0.08 -0.05 0.01 -0.04 3.06 2.90 1dl5A1 TYR 199 HB3 -0.15 0.16 0.21 -0.04 2.98 3.16 1dl5A1 TYR 199 HD2 -0.43 0.08 -0.08 -0.04 7.15 6.68 1dl5A1 TYR 199 HE2 -0.13 -0.02 -0.14 -0.04 6.85 6.52 1dl5A1 LYS 200 H -0.95 0.58 0.45 -0.55 8.42 7.95 1dl5A1 LYS 200 HA -0.60 0.23 1.01 -0.75 4.32 4.21 1dl5A1 LYS 200 HB2 -0.44 -0.01 0.06 -0.04 1.87 1.44 1dl5A1 LYS 200 HB3 -0.69 -0.04 -0.04 -0.04 1.79 0.98 1dl5A1 LYS 200 HG2 -0.53 0.04 -0.16 -0.04 1.46 0.77 1dl5A1 LYS 200 HG3 -0.81 -0.03 -0.10 -0.04 1.46 0.48 1dl5A1 LYS 200 HD2 -1.36 -0.05 0.01 -0.04 1.69 0.25 1dl5A1 LYS 200 HD3 -0.62 0.12 0.05 -0.04 1.68 1.20 1dl5A1 LYS 200 HE2 -0.46 0.02 -0.02 -0.04 2.99 2.49 1dl5A1 LYS 200 HE3 -0.82 -0.01 -0.01 -0.04 2.99 2.11 1dl5A1 LEU 201 H -0.66 0.29 0.36 -0.55 8.37 7.81 1dl5A1 LEU 201 HA -0.37 0.09 0.48 -0.75 4.35 3.80 1dl5A1 LEU 201 HB2 0.02 -0.04 0.19 -0.04 1.64 1.77 1dl5A1 LEU 201 HB3 -0.03 0.20 -0.22 -0.04 1.64 1.54 1dl5A1 LEU 201 HG 0.11 0.11 -0.40 -0.04 1.64 1.43 1dl5A1 LEU 201 HD13 0.20 -0.01 -0.05 -0.04 0.93 1.03 1dl5A1 LEU 201 HD23 0.35 -0.02 -0.13 -0.04 0.89 1.05 1dl5A1 GLU 202 H 0.08 0.16 0.19 -0.55 8.60 8.49 1dl5A1 GLU 202 HA 0.16 0.09 0.71 -0.75 4.29 4.50 1dl5A1 GLU 202 HB2 0.09 0.00 0.10 -0.04 2.09 2.24 1dl5A1 GLU 202 HB3 0.11 0.05 0.05 -0.04 1.99 2.15 1dl5A1 GLU 202 HG2 0.19 -0.03 0.06 -0.04 2.34 2.52 1dl5A1 GLU 202 HG3 0.10 0.04 0.03 -0.04 2.34 2.47 1dl5A1 THR 203 H 0.14 0.61 0.35 -0.55 8.28 8.82 1dl5A1 THR 203 HA -0.01 0.19 0.88 -0.75 4.39 4.70 1dl5A1 THR 203 HB -0.11 -0.15 0.07 -0.04 4.32 4.09 1dl5A1 THR 203 HG23 0.31 0.03 -0.26 -0.04 1.22 1.26 1dl5A1 ARG 204 H -0.30 0.12 0.03 -0.55 8.46 7.75 1dl5A1 ARG 204 HA 0.03 0.27 0.90 -0.75 4.34 4.78 1dl5A1 ARG 204 HB2 -0.12 -0.05 0.09 -0.04 1.90 1.78 1dl5A1 ARG 204 HB3 -0.02 0.01 0.15 -0.04 1.80 1.90 1dl5A1 ARG 204 HG2 0.01 0.12 -0.18 -0.04 1.67 1.58 1dl5A1 ARG 204 HG3 -0.03 -0.03 -0.27 -0.04 1.67 1.29 1dl5A1 ARG 204 HD2 -0.02 -0.03 -0.03 -0.04 3.22 3.10 1dl5A1 ARG 204 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.17 1dl5A1 PHE 205 H 0.17 0.11 -0.16 -0.55 8.34 7.91 1dl5A1 PHE 205 HA 0.05 0.07 0.50 -0.75 4.62 4.49 1dl5A1 PHE 205 HB2 0.09 -0.00 -0.13 -0.04 3.15 3.06 1dl5A1 PHE 205 HB3 0.08 0.06 -0.03 -0.04 3.06 3.12 1dl5A1 PHE 205 HD2 0.07 0.04 -0.08 -0.04 7.28 7.26 1dl5A1 PHE 205 HE2 0.07 0.01 -0.05 -0.04 7.38 7.36 1dl5A1 PHE 205 HZ -0.47 0.03 -0.08 -0.04 7.32 6.76 1dl5A1 ILE 206 H 0.26 0.09 0.17 -0.55 8.25 8.22 1dl5A1 ILE 206 HA 0.17 0.09 0.43 -0.75 4.18 4.11 1dl5A1 ILE 206 HB 0.17 -0.04 0.14 -0.04 1.89 2.13 1dl5A1 ILE 206 HG12 0.25 0.06 0.03 -0.04 1.49 1.79 1dl5A1 ILE 206 HG13 0.16 -0.01 0.10 -0.04 1.21 1.42 1dl5A1 ILE 206 HG23 0.18 0.04 -0.08 -0.04 0.93 1.03 1dl5A1 ILE 206 HD13 0.07 -0.00 0.02 -0.04 0.88 0.93 1dl5A1 THR 207 H 0.13 0.12 0.17 -0.55 8.28 8.15 1dl5A1 THR 207 HA 0.13 0.07 0.64 -0.75 4.39 4.47 1dl5A1 THR 207 HB 0.10 -0.04 0.12 -0.04 4.32 4.45 1dl5A1 THR 207 HG23 0.08 0.05 -0.04 -0.04 1.22 1.27 1dl5A1 ALA 208 H 0.09 0.72 0.28 -0.55 8.40 8.95 1dl5A1 ALA 208 HA 0.09 -0.07 0.38 -0.75 4.34 3.99 1dl5A1 ALA 208 HB3 0.05 0.01 0.02 -0.04 1.41 1.45 1dl5A1 GLY 209 H 0.05 -0.01 0.14 -0.55 8.43 8.07 1dl5A1 GLY 209 HA2 0.06 0.29 0.79 -0.51 4.01 4.64 1dl5A1 GLY 209 HA3 0.15 -0.00 0.37 -0.51 4.01 4.02 1dl5A1 GLY 210 H 0.10 0.18 0.14 -0.55 8.43 8.31 1dl5A1 GLY 210 HA2 -0.00 0.14 0.36 -0.51 4.01 3.99 1dl5A1 GLY 210 HA3 -0.46 -0.02 0.46 -0.51 4.01 3.49 1dl5A1 ASN 211 H -0.21 0.14 0.19 -0.55 8.53 8.10 1dl5A1 ASN 211 HA -0.20 0.12 0.46 -0.75 4.76 4.39 1dl5A1 ASN 211 HB2 -0.51 -0.07 0.11 -0.04 2.88 2.36 1dl5A1 ASN 211 HB3 -0.99 0.10 0.13 -0.04 2.79 1.99 1dl5A1 ASN 211 HD21 -0.11 0.08 0.02 -0.04 7.03 6.98 1dl5A1 ASN 211 HD22 -0.45 -0.02 0.03 -0.04 7.74 7.26 1dl5A1 LEU 212 H -0.11 0.26 -0.44 -0.55 8.37 7.53 1dl5A1 LEU 212 HA -0.01 0.21 0.81 -0.75 4.35 4.60 1dl5A1 LEU 212 HB2 -0.01 0.09 0.05 -0.04 1.64 1.74 1dl5A1 LEU 212 HB3 0.06 0.02 0.19 -0.04 1.64 1.87 1dl5A1 LEU 212 HG 0.07 -0.23 -0.09 -0.04 1.64 1.36 1dl5A1 LEU 212 HD13 0.27 0.01 -0.10 -0.04 0.93 1.07 1dl5A1 LEU 212 HD23 -0.05 0.07 -0.01 -0.04 0.89 0.87 1dl5A1 GLY 213 H -0.05 0.32 -0.41 -0.55 8.43 7.74 1dl5A1 GLY 213 HA2 0.01 0.14 0.86 -0.51 4.01 4.51 1dl5A1 GLY 213 HA3 0.01 0.28 0.22 -0.51 4.01 4.02 1dl5A1 ASN 214 H -0.05 0.13 -0.13 -0.55 8.53 7.93 1dl5A1 ASN 214 HA -0.01 0.22 0.89 -0.75 4.76 5.10 1dl5A1 ASN 214 HB2 -0.03 -0.03 0.17 -0.04 2.88 2.95 1dl5A1 ASN 214 HB3 -0.02 0.07 -0.08 -0.04 2.79 2.72 1dl5A1 ASN 214 HD21 -0.11 -0.02 -0.08 -0.04 7.03 6.78 1dl5A1 ASN 214 HD22 -0.05 0.02 -0.06 -0.04 7.74 7.62 1dl5A1 LEU 215 H -0.02 0.16 -0.15 -0.55 8.37 7.82 1dl5A1 LEU 215 HA -0.05 0.10 0.37 -0.75 4.35 4.02 1dl5A1 LEU 215 HB2 -0.04 -0.02 0.03 -0.04 1.64 1.57 1dl5A1 LEU 215 HB3 -0.01 -0.02 0.06 -0.04 1.64 1.62 1dl5A1 LEU 215 HG -0.02 0.09 -0.22 -0.04 1.64 1.45 1dl5A1 LEU 215 HD13 -0.04 0.04 0.04 -0.04 0.93 0.93 1dl5A1 LEU 215 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.72 1dl5A1 LEU 216 H 0.01 0.08 -0.12 -0.55 8.37 7.79 1dl5A1 LEU 216 HA 0.04 0.27 0.46 -0.75 4.35 4.37 1dl5A1 LEU 216 HB2 0.03 -0.06 0.06 -0.04 1.64 1.62 1dl5A1 LEU 216 HB3 0.03 0.01 -0.04 -0.04 1.64 1.60 1dl5A1 LEU 216 HG 0.08 -0.01 -0.00 -0.04 1.64 1.66 1dl5A1 LEU 216 HD13 0.11 -0.00 -0.06 -0.04 0.93 0.94 1dl5A1 LEU 216 HD23 0.18 0.05 -0.20 -0.04 0.89 0.89 1dl5A1 GLU 217 H -0.00 0.03 -0.27 -0.55 8.60 7.81 1dl5A1 GLU 217 HA -0.01 0.07 0.43 -0.75 4.29 4.02 1dl5A1 GLU 217 HB2 -0.02 0.09 0.14 -0.04 2.09 2.26 1dl5A1 GLU 217 HB3 -0.02 0.02 0.01 -0.04 1.99 1.97 1dl5A1 GLU 217 HG2 -0.00 0.02 0.04 -0.04 2.34 2.36 1dl5A1 GLU 217 HG3 -0.01 0.03 0.04 -0.04 2.34 2.36 1dl5A1 ARG 218 H -0.04 0.54 -0.03 -0.55 8.46 8.38 1dl5A1 ARG 218 HA -0.04 0.02 0.46 -0.75 4.34 4.03 1dl5A1 ARG 218 HB2 -0.07 0.06 0.15 -0.04 1.90 2.01 1dl5A1 ARG 218 HB3 -0.07 0.01 0.00 -0.04 1.80 1.70 1dl5A1 ARG 218 HG2 -0.08 -0.03 0.04 -0.04 1.67 1.56 1dl5A1 ARG 218 HG3 -0.09 0.08 0.03 -0.04 1.67 1.65 1dl5A1 ARG 218 HD2 -0.18 0.05 0.00 -0.04 3.22 3.05 1dl5A1 ARG 218 HD3 -0.22 -0.08 0.00 -0.04 3.22 2.88 1dl5A1 ASN 219 H -0.02 0.67 -0.10 -0.55 8.53 8.53 1dl5A1 ASN 219 HA -0.03 0.04 0.43 -0.75 4.76 4.45 1dl5A1 ASN 219 HB2 0.01 0.13 0.05 -0.04 2.88 3.02 1dl5A1 ASN 219 HB3 -0.01 -0.04 -0.15 -0.04 2.79 2.55 1dl5A1 ASN 219 HD21 -0.02 0.27 -0.12 -0.04 7.03 7.12 1dl5A1 ASN 219 HD22 0.01 0.38 -0.29 -0.04 7.74 7.80 1dl5A1 ARG 220 H -0.02 0.36 -0.49 -0.55 8.46 7.76 1dl5A1 ARG 220 HA -0.03 -0.01 0.43 -0.75 4.34 3.97 1dl5A1 ARG 220 HB2 -0.03 0.18 0.14 -0.04 1.90 2.15 1dl5A1 ARG 220 HB3 -0.04 -0.06 0.05 -0.04 1.80 1.71 1dl5A1 ARG 220 HG2 -0.01 -0.07 0.06 -0.04 1.67 1.61 1dl5A1 ARG 220 HG3 -0.01 0.20 0.18 -0.04 1.67 2.00 1dl5A1 ARG 220 HD2 -0.02 0.00 0.10 -0.04 3.22 3.26 1dl5A1 ARG 220 HD3 -0.03 -0.06 0.08 -0.04 3.22 3.17 1dl5A1 LYS 221 H -0.03 0.39 -0.27 -0.55 8.42 7.96 1dl5A1 LYS 221 HA -0.04 0.04 0.42 -0.75 4.32 3.99 1dl5A1 LYS 221 HB2 -0.03 0.21 0.13 -0.04 1.87 2.14 1dl5A1 LYS 221 HB3 -0.03 -0.05 0.10 -0.04 1.79 1.77 1dl5A1 LYS 221 HG2 -0.03 -0.04 0.05 -0.04 1.46 1.39 1dl5A1 LYS 221 HG3 -0.03 0.04 0.11 -0.04 1.46 1.54 1dl5A1 LYS 221 HD2 -0.03 0.02 0.08 -0.04 1.69 1.72 1dl5A1 LYS 221 HD3 -0.02 -0.02 0.04 -0.04 1.68 1.63 1dl5A1 LYS 221 HE2 -0.02 -0.01 0.02 -0.04 2.99 2.93 1dl5A1 LYS 221 HE3 -0.03 -0.00 0.01 -0.04 2.99 2.94 1dl5A1 LEU 222 H -0.04 0.30 -0.55 -0.55 8.37 7.54 1dl5A1 LEU 222 HA -0.03 0.08 0.58 -0.75 4.35 4.23 1dl5A1 LEU 222 HB2 -0.05 0.16 0.10 -0.04 1.64 1.81 1dl5A1 LEU 222 HB3 -0.05 0.02 0.06 -0.04 1.64 1.63 1dl5A1 LEU 222 HG -0.04 -0.04 -0.01 -0.04 1.64 1.51 1dl5A1 LEU 222 HD13 -0.05 -0.01 0.04 -0.04 0.93 0.88 1dl5A1 LEU 222 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.77 1dl5A1 LEU 223 H -0.05 0.29 -0.32 -0.55 8.37 7.74 1dl5A1 LEU 223 HA -0.03 -0.02 0.42 -0.75 4.35 3.97 1dl5A1 LEU 223 HB2 -0.10 0.16 0.10 -0.04 1.64 1.77 1dl5A1 LEU 223 HB3 -0.14 -0.06 -0.08 -0.04 1.64 1.32 1dl5A1 LEU 223 HG -0.07 0.09 0.04 -0.04 1.64 1.66 1dl5A1 LEU 223 HD13 -0.19 -0.02 -0.04 -0.04 0.93 0.64 1dl5A1 LEU 223 HD23 -0.13 -0.03 -0.11 -0.04 0.89 0.58 1dl5A1 ARG 224 H 0.06 0.18 0.16 -0.55 8.46 8.31 1dl5A1 ARG 224 HA -0.15 0.15 0.75 -0.75 4.34 4.33 1dl5A1 ARG 224 HB2 -0.25 -0.02 -0.12 -0.04 1.90 1.46 1dl5A1 ARG 224 HB3 -0.40 -0.05 0.02 -0.04 1.80 1.33 1dl5A1 ARG 224 HG2 -0.05 0.18 -0.57 -0.04 1.67 1.19 1dl5A1 ARG 224 HG3 0.06 0.13 -0.14 -0.04 1.67 1.68 1dl5A1 ARG 224 HD2 -0.10 -0.06 -0.01 -0.04 3.22 3.00 1dl5A1 ARG 224 HD3 -0.02 0.00 -0.05 -0.04 3.22 3.11 1dl5A1 GLU 225 H -0.29 0.15 0.09 -0.55 8.60 7.99 1dl5A1 GLU 225 HA -0.14 0.09 0.68 -0.75 4.29 4.17 1dl5A1 GLU 225 HB2 -0.13 0.00 0.02 -0.04 2.09 1.95 1dl5A1 GLU 225 HB3 -0.17 -0.01 0.13 -0.04 1.99 1.90 1dl5A1 GLU 225 HG2 -0.08 -0.01 -0.31 -0.04 2.34 1.90 1dl5A1 GLU 225 HG3 -0.05 0.02 -0.08 -0.04 2.34 2.20 1dl5A1 PHE 226 H 0.12 0.24 0.16 -0.55 8.34 8.31 1dl5A1 PHE 226 HA 0.04 0.21 0.77 -0.75 4.62 4.89 1dl5A1 PHE 226 HB2 0.13 -0.09 -0.27 -0.04 3.15 2.87 1dl5A1 PHE 226 HB3 0.07 0.02 -0.07 -0.04 3.06 3.04 1dl5A1 PHE 226 HD2 0.01 0.01 -0.15 -0.04 7.28 7.11 1dl5A1 PHE 226 HE2 -0.01 0.03 -0.18 -0.04 7.38 7.19 1dl5A1 PHE 226 HZ -0.00 0.17 -0.26 -0.04 7.32 7.19 1dl5A1 PRO 227 HA 0.20 0.03 0.49 -0.51 4.44 4.66 1dl5A1 PRO 227 HB2 0.10 0.07 0.03 -0.04 2.28 2.44 1dl5A1 PRO 227 HB3 0.11 0.03 0.12 -0.04 2.02 2.24 1dl5A1 PRO 227 HG2 0.09 0.05 0.08 -0.04 2.03 2.22 1dl5A1 PRO 227 HG3 0.09 0.04 0.05 -0.04 2.03 2.17 1dl5A1 PRO 227 HD2 0.22 0.08 0.22 -0.04 3.68 4.15 1dl5A1 PRO 227 HD3 0.16 0.18 0.20 -0.04 3.65 4.16 1dl5A1 PHE 228 H 0.31 0.07 0.19 -0.55 8.34 8.37 1dl5A1 PHE 228 HA -0.34 0.04 0.51 -0.75 4.62 4.08 1dl5A1 PHE 228 HB2 -0.01 -0.01 0.11 -0.04 3.15 3.20 1dl5A1 PHE 228 HB3 -0.02 -0.02 0.12 -0.04 3.06 3.11 1dl5A1 PHE 228 HD2 -0.50 0.00 -0.12 -0.04 7.28 6.61 1dl5A1 PHE 228 HE2 -0.15 -0.02 -0.14 -0.04 7.38 7.03 1dl5A1 PHE 228 HZ -0.09 -0.08 -0.19 -0.04 7.32 6.92 1dl5A1 ASN 229 H -0.91 0.65 0.50 -0.55 8.53 8.22 1dl5A1 ASN 229 HA -0.33 0.14 0.92 -0.75 4.76 4.74 1dl5A1 ASN 229 HB2 -0.21 0.07 0.05 -0.04 2.88 2.75 1dl5A1 ASN 229 HB3 -0.37 0.03 0.16 -0.04 2.79 2.57 1dl5A1 ASN 229 HD21 -0.11 -0.12 -0.02 -0.04 7.03 6.74 1dl5A1 ASN 229 HD22 -0.13 0.43 0.06 -0.04 7.74 8.06 1dl5A1 ARG 230 H -0.75 0.38 0.40 -0.55 8.46 7.93 1dl5A1 ARG 230 HA -0.47 0.11 0.59 -0.75 4.34 3.81 1dl5A1 ARG 230 HB2 -0.12 0.00 0.18 -0.04 1.90 1.92 1dl5A1 ARG 230 HB3 -0.22 0.11 -0.28 -0.04 1.80 1.37 1dl5A1 ARG 230 HG2 -0.21 -0.10 -0.10 -0.04 1.67 1.23 1dl5A1 ARG 230 HG3 -0.12 0.08 -0.39 -0.04 1.67 1.20 1dl5A1 ARG 230 HD2 -0.08 0.03 -0.04 -0.04 3.22 3.09 1dl5A1 ARG 230 HD3 -0.11 -0.01 -0.09 -0.04 3.22 2.96 1dl5A1 GLU 231 H 0.02 0.22 0.24 -0.55 8.60 8.53 1dl5A1 GLU 231 HA 0.04 0.26 1.07 -0.75 4.29 4.90 1dl5A1 GLU 231 HB2 0.21 -0.03 0.03 -0.04 2.09 2.26 1dl5A1 GLU 231 HB3 0.07 0.00 -0.03 -0.04 1.99 2.00 1dl5A1 GLU 231 HG2 0.07 -0.01 -0.07 -0.04 2.34 2.28 1dl5A1 GLU 231 HG3 0.13 -0.02 -0.08 -0.04 2.34 2.33 1dl5A1 ILE 232 H 0.02 0.52 0.31 -0.55 8.25 8.56 1dl5A1 ILE 232 HA 0.00 0.13 0.84 -0.75 4.18 4.41 1dl5A1 ILE 232 HB -0.01 -0.04 0.02 -0.04 1.89 1.82 1dl5A1 ILE 232 HG12 -0.03 0.10 -0.10 -0.04 1.49 1.42 1dl5A1 ILE 232 HG13 -0.04 -0.09 -0.64 -0.04 1.21 0.39 1dl5A1 ILE 232 HG23 -0.01 0.07 -0.06 -0.04 0.93 0.89 1dl5A1 ILE 232 HD13 -0.04 -0.01 -0.11 -0.04 0.88 0.68 1dl5A1 LEU 233 H 0.01 0.14 0.13 -0.55 8.37 8.11 1dl5A1 LEU 233 HA 0.03 0.09 0.55 -0.75 4.35 4.28 1dl5A1 LEU 233 HB2 0.01 -0.02 0.10 -0.04 1.64 1.70 1dl5A1 LEU 233 HB3 0.02 0.06 0.00 -0.04 1.64 1.67 1dl5A1 LEU 233 HG 0.01 -0.04 0.07 -0.04 1.64 1.64 1dl5A1 LEU 233 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 1dl5A1 LEU 233 HD23 0.02 0.01 0.03 -0.04 0.89 0.91 1dl5A1 LEU 234 H 0.06 0.48 -0.21 -0.55 8.37 8.15 1dl5A1 LEU 234 HA 0.08 0.18 0.81 -0.75 4.35 4.67 1dl5A1 LEU 234 HB2 0.08 0.09 -0.27 -0.04 1.64 1.50 1dl5A1 LEU 234 HB3 0.12 -0.15 -0.17 -0.04 1.64 1.40 1dl5A1 LEU 234 HG 0.18 -0.08 -0.35 -0.04 1.64 1.35 1dl5A1 LEU 234 HD13 -0.05 0.01 -0.07 -0.04 0.93 0.78 1dl5A1 LEU 234 HD23 0.30 0.01 -0.10 -0.04 0.89 1.06 1dl5A1 VAL 235 H 0.11 0.21 0.05 -0.55 8.24 8.07 1dl5A1 VAL 235 HA 0.02 0.12 0.76 -0.75 4.13 4.29 1dl5A1 VAL 235 HB -0.16 0.03 0.02 -0.04 2.12 1.98 1dl5A1 VAL 235 HG13 -0.52 0.02 -0.08 -0.04 0.97 0.35 1dl5A1 VAL 235 HG23 -0.19 0.01 0.03 -0.04 0.95 0.76 1dl5A1 ARG 236 H 0.07 0.17 0.17 -0.55 8.46 8.32 1dl5A1 ARG 236 HA 0.16 0.01 0.38 -0.75 4.34 4.13 1dl5A1 ARG 236 HB2 0.55 0.20 -0.11 -0.04 1.90 2.50 1dl5A1 ARG 236 HB3 0.34 -0.07 0.18 -0.04 1.80 2.21 1dl5A1 ARG 236 HG2 0.07 -0.01 0.07 -0.04 1.67 1.76 1dl5A1 ARG 236 HG3 -0.03 -0.07 -0.07 -0.04 1.67 1.46 1dl5A1 ARG 236 HD2 -0.03 0.10 -0.03 -0.04 3.22 3.22 1dl5A1 ARG 236 HD3 0.15 0.01 0.02 -0.04 3.22 3.36 1dl5A1 SER 237 H 0.16 0.12 -0.17 -0.55 8.46 8.02 1dl5A1 SER 237 HA 0.18 0.14 0.24 -0.75 4.49 4.30 1dl5A1 SER 237 HB2 0.17 0.13 0.07 -0.04 3.95 4.27 1dl5A1 SER 237 HB3 0.15 0.04 0.16 -0.04 3.93 4.24 1dl5A1 HIS 238 H 0.19 0.09 -0.18 -0.55 8.41 7.96 1dl5A1 HIS 238 HA -0.08 0.09 0.38 -0.75 4.63 4.26 1dl5A1 HIS 238 HB2 0.01 0.02 0.08 -0.04 3.26 3.33 1dl5A1 HIS 238 HB3 0.03 -0.01 0.03 -0.04 3.20 3.21 1dl5A1 HIS 238 HD2 0.02 0.00 -0.13 -0.04 6.97 6.82 1dl5A1 HIS 238 HE1 -0.07 0.28 -0.07 -0.04 7.75 7.85 1dl5A1 ILE 239 H 0.15 0.19 -0.24 -0.55 8.25 7.81 1dl5A1 ILE 239 HA -0.02 0.01 0.43 -0.75 4.18 3.84 1dl5A1 ILE 239 HB 0.41 0.26 0.12 -0.04 1.89 2.63 1dl5A1 ILE 239 HG12 0.21 -0.12 0.05 -0.04 1.49 1.59 1dl5A1 ILE 239 HG13 0.26 0.10 0.03 -0.04 1.21 1.56 1dl5A1 ILE 239 HG23 0.30 0.01 -0.17 -0.04 0.93 1.03 1dl5A1 ILE 239 HD13 0.15 -0.02 -0.00 -0.04 0.88 0.96 1dl5A1 PHE 240 H -0.09 0.38 -0.17 -0.55 8.34 7.90 1dl5A1 PHE 240 HA -1.03 0.09 0.43 -0.75 4.62 3.36 1dl5A1 PHE 240 HB2 -0.96 0.11 0.02 -0.04 3.15 2.28 1dl5A1 PHE 240 HB3 -0.35 0.05 0.05 -0.04 3.06 2.78 1dl5A1 PHE 240 HD2 -0.80 0.03 -0.11 -0.04 7.28 6.35 1dl5A1 PHE 240 HE2 0.03 0.02 -0.25 -0.04 7.38 7.13 1dl5A1 PHE 240 HZ -0.05 0.07 -0.07 -0.04 7.32 7.23 1dl5A1 VAL 241 H -0.32 0.62 -0.11 -0.55 8.24 7.88 1dl5A1 VAL 241 HA -0.85 0.00 0.37 -0.75 4.13 2.90 1dl5A1 VAL 241 HB -0.47 0.11 0.13 -0.04 2.12 1.85 1dl5A1 VAL 241 HG13 -0.67 -0.02 -0.13 -0.04 0.97 0.12 1dl5A1 VAL 241 HG23 -0.56 0.05 -0.02 -0.04 0.95 0.39 1dl5A1 GLU 242 H -0.43 0.50 -0.25 -0.55 8.60 7.87 1dl5A1 GLU 242 HA -0.34 -0.01 0.37 -0.75 4.29 3.55 1dl5A1 GLU 242 HB2 -0.11 0.16 0.13 -0.04 2.09 2.23 1dl5A1 GLU 242 HB3 -0.13 -0.05 0.00 -0.04 1.99 1.77 1dl5A1 GLU 242 HG2 -0.33 -0.08 -0.02 -0.04 2.34 1.86 1dl5A1 GLU 242 HG3 -0.53 0.37 0.08 -0.04 2.34 2.22 1dl5A1 LEU 243 H -0.40 0.41 -0.29 -0.55 8.37 7.53 1dl5A1 LEU 243 HA -0.24 0.01 0.43 -0.75 4.35 3.80 1dl5A1 LEU 243 HB2 -0.66 0.15 0.17 -0.04 1.64 1.26 1dl5A1 LEU 243 HB3 -0.40 -0.03 -0.04 -0.04 1.64 1.13 1dl5A1 LEU 243 HG -0.10 -0.07 0.05 -0.04 1.64 1.47 1dl5A1 LEU 243 HD13 -0.43 0.03 -0.10 -0.04 0.93 0.39 1dl5A1 LEU 243 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 1dl5A1 VAL 244 H -0.66 0.51 -0.17 -0.55 8.24 7.37 1dl5A1 VAL 244 HA -0.39 0.02 0.40 -0.75 4.13 3.40 1dl5A1 VAL 244 HB -0.57 0.10 0.10 -0.04 2.12 1.71 1dl5A1 VAL 244 HG13 -0.06 -0.03 -0.14 -0.04 0.97 0.70 1dl5A1 VAL 244 HG23 -0.88 0.05 -0.05 -0.04 0.95 0.04 1dl5A1 ASP 245 H -0.34 0.57 -0.20 -0.55 8.40 7.88 1dl5A1 ASP 245 HA -0.13 -0.10 0.43 -0.75 4.63 4.08 1dl5A1 ASP 245 HB2 -0.24 -0.00 0.12 -0.04 2.71 2.55 1dl5A1 ASP 245 HB3 -0.25 0.21 0.21 -0.04 2.70 2.83 1dl5A1 LEU 246 H -0.26 0.47 -0.13 -0.55 8.37 7.90 1dl5A1 LEU 246 HA -0.23 0.07 0.40 -0.75 4.35 3.84 1dl5A1 LEU 246 HB2 -0.26 0.04 0.10 -0.04 1.64 1.47 1dl5A1 LEU 246 HB3 -0.34 -0.01 -0.07 -0.04 1.64 1.18 1dl5A1 LEU 246 HG -0.35 0.06 0.03 -0.04 1.64 1.34 1dl5A1 LEU 246 HD13 -0.62 -0.03 -0.10 -0.04 0.93 0.13 1dl5A1 LEU 246 HD23 -0.39 -0.00 -0.09 -0.04 0.89 0.36 1dl5A1 LEU 247 H -0.21 0.62 -0.05 -0.55 8.37 8.18 1dl5A1 LEU 247 HA -0.15 0.12 0.61 -0.75 4.35 4.17 1dl5A1 LEU 247 HB2 -0.18 0.05 0.09 -0.04 1.64 1.56 1dl5A1 LEU 247 HB3 -0.09 -0.07 -0.05 -0.04 1.64 1.39 1dl5A1 LEU 247 HG -0.12 -0.03 -0.04 -0.04 1.64 1.41 1dl5A1 LEU 247 HD13 -0.09 -0.02 -0.16 -0.04 0.93 0.62 1dl5A1 LEU 247 HD23 -0.03 0.01 -0.10 -0.04 0.89 0.74 1dl5A1 THR 248 H -0.13 0.48 0.04 -0.55 8.28 8.12 1dl5A1 THR 248 HA -0.04 0.21 0.85 -0.75 4.39 4.65 1dl5A1 THR 248 HB 0.27 -0.00 0.06 -0.04 4.32 4.61 1dl5A1 THR 248 HG23 -0.16 -0.02 0.01 -0.04 1.22 1.00 1dl5A1 ARG 249 H -0.10 0.34 -0.04 -0.55 8.46 8.11 1dl5A1 ARG 249 HA -0.08 0.12 0.37 -0.75 4.34 4.00 1dl5A1 ARG 249 HB2 -0.15 0.20 0.01 -0.04 1.90 1.92 1dl5A1 ARG 249 HB3 -0.11 -0.12 0.18 -0.04 1.80 1.70 1dl5A1 ARG 249 HG2 -0.17 -0.17 -0.02 -0.04 1.67 1.27 1dl5A1 ARG 249 HG3 -0.16 0.16 -0.01 -0.04 1.67 1.62 1dl5A1 ARG 249 HD2 -0.25 0.07 -0.14 -0.04 3.22 2.86 1dl5A1 ARG 249 HD3 -0.21 -0.08 -0.81 -0.04 3.22 2.07 1dl5A1 ARG 250 H 0.05 -0.00 -0.40 -0.55 8.46 7.55 1dl5A1 ARG 250 HA -0.02 0.25 0.84 -0.75 4.34 4.65 1dl5A1 ARG 250 HB2 0.16 -0.13 -0.09 -0.04 1.90 1.80 1dl5A1 ARG 250 HB3 -0.21 0.04 0.13 -0.04 1.80 1.72 1dl5A1 ARG 250 HG2 -0.05 0.03 0.02 -0.04 1.67 1.62 1dl5A1 ARG 250 HG3 -0.00 0.21 -0.26 -0.04 1.67 1.57 1dl5A1 ARG 250 HD2 0.22 -0.05 -0.01 -0.04 3.22 3.34 1dl5A1 ARG 250 HD3 -0.12 0.01 -0.02 -0.04 3.22 3.05 1dl5A1 LEU 251 H 0.04 0.06 -0.09 -0.55 8.37 7.83 1dl5A1 LEU 251 HA 0.19 0.20 0.73 -0.75 4.35 4.72 1dl5A1 LEU 251 HB2 0.02 -0.05 -0.05 -0.04 1.64 1.52 1dl5A1 LEU 251 HB3 0.04 -0.03 0.03 -0.04 1.64 1.64 1dl5A1 LEU 251 HG 0.34 0.13 -0.04 -0.04 1.64 2.03 1dl5A1 LEU 251 HD13 0.14 0.02 -0.18 -0.04 0.93 0.87 1dl5A1 LEU 251 HD23 -0.20 -0.02 -0.06 -0.04 0.89 0.58 1dl5A1 THR 252 H 0.24 0.62 0.43 -0.55 8.28 9.01 1dl5A1 THR 252 HA 0.09 0.05 0.66 -0.75 4.39 4.44 1dl5A1 THR 252 HB 0.04 0.05 -0.31 -0.04 4.32 4.06 1dl5A1 THR 252 HG23 0.11 0.03 -0.20 -0.04 1.22 1.11 1dl5A1 GLU 253 H 0.02 0.34 0.17 -0.55 8.60 8.57 1dl5A1 GLU 253 HA 0.05 0.31 0.69 -0.75 4.29 4.58 1dl5A1 GLU 253 HB2 -0.53 -0.03 -0.28 -0.04 2.09 1.21 1dl5A1 GLU 253 HB3 -0.88 0.04 -0.24 -0.04 1.99 0.87 1dl5A1 GLU 253 HG2 -0.41 0.02 -0.17 -0.04 2.34 1.74 1dl5A1 GLU 253 HG3 -0.14 -0.05 -0.09 -0.04 2.34 2.02 1dl5A1 ILE 254 H 0.14 0.66 0.21 -0.55 8.25 8.71 1dl5A1 ILE 254 HA 0.00 0.13 0.81 -0.75 4.18 4.37 1dl5A1 ILE 254 HB 0.19 0.02 0.09 -0.04 1.89 2.15 1dl5A1 ILE 254 HG12 0.01 -0.08 -0.40 -0.04 1.49 0.98 1dl5A1 ILE 254 HG13 -0.13 0.05 -0.07 -0.04 1.21 1.02 1dl5A1 ILE 254 HG23 -0.00 0.01 -0.08 -0.04 0.93 0.81 1dl5A1 ILE 254 HD13 -0.03 0.05 0.07 -0.04 0.88 0.92 1dl5A1 ASP 255 H -0.01 0.19 0.09 -0.55 8.40 8.12 1dl5A1 ASP 255 HA -0.01 0.05 0.32 -0.75 4.63 4.23 1dl5A1 ASP 255 HB2 0.03 0.15 -0.12 -0.04 2.71 2.73 1dl5A1 ASP 255 HB3 0.01 0.02 0.22 -0.04 2.70 2.91 1dl5A1 GLY 256 H -0.09 0.03 -0.41 -0.55 8.43 7.41 1dl5A1 GLY 256 HA2 -0.15 -0.02 0.21 -0.51 4.01 3.53 1dl5A1 GLY 256 HA3 -0.04 0.16 0.51 -0.51 4.01 4.12 1dl5A1 THR 257 H -0.06 0.45 -0.37 -0.55 8.28 7.76 1dl5A1 THR 257 HA -0.06 0.16 0.84 -0.75 4.39 4.58 1dl5A1 THR 257 HB -0.04 0.05 0.13 -0.04 4.32 4.42 1dl5A1 THR 257 HG23 -0.49 0.03 -0.10 -0.04 1.22 0.62 1dl5A1 PHE 258 H 0.15 0.21 0.22 -0.55 8.34 8.37 1dl5A1 PHE 258 HA 0.06 0.22 0.91 -0.75 4.62 5.05 1dl5A1 PHE 258 HB2 0.08 -0.03 0.17 -0.04 3.15 3.33 1dl5A1 PHE 258 HB3 0.10 0.01 0.03 -0.04 3.06 3.15 1dl5A1 PHE 258 HD2 0.03 0.08 -0.02 -0.04 7.28 7.33 1dl5A1 PHE 258 HE2 0.03 -0.00 -0.08 -0.04 7.38 7.28 1dl5A1 PHE 258 HZ 0.03 -0.03 -0.07 -0.04 7.32 7.21 1dl5A1 TYR 259 H 0.36 0.67 0.33 -0.55 8.29 9.10 1dl5A1 TYR 259 HA 0.22 0.29 1.13 -0.75 4.56 5.45 1dl5A1 TYR 259 HB2 0.07 -0.05 -0.12 -0.04 3.06 2.92 1dl5A1 TYR 259 HB3 0.06 0.06 -0.16 -0.04 2.98 2.90 1dl5A1 TYR 259 HD2 0.01 -0.03 -0.21 -0.04 7.15 6.88 1dl5A1 TYR 259 HE2 -0.03 -0.02 -0.04 -0.04 6.85 6.73 1dl5A1 TYR 260 H 0.35 0.62 0.33 -0.55 8.29 9.04 1dl5A1 TYR 260 HA 0.20 0.13 0.64 -0.75 4.56 4.78 1dl5A1 TYR 260 HB2 0.38 -0.02 0.03 -0.04 3.06 3.42 1dl5A1 TYR 260 HB3 0.12 -0.09 0.24 -0.04 2.98 3.22 1dl5A1 TYR 260 HD2 0.03 -0.07 -0.12 -0.04 7.15 6.95 1dl5A1 TYR 260 HE2 -0.03 -0.01 -0.07 -0.04 6.85 6.71 1dl5A1 ALA 261 H -0.17 0.73 0.16 -0.55 8.40 8.58 1dl5A1 ALA 261 HA -0.14 0.04 0.71 -0.75 4.34 4.20 1dl5A1 ALA 261 HB3 -0.09 0.02 -0.02 -0.04 1.41 1.28 1dl5A1 GLY 262 H -0.37 0.37 0.23 -0.55 8.43 8.12 1dl5A1 GLY 262 HA2 -0.46 0.09 0.55 -0.51 4.01 3.68 1dl5A1 GLY 262 HA3 -0.18 -0.09 0.36 -0.51 4.01 3.59 1dl5A1 PRO 263 HA 0.06 0.21 0.57 -0.51 4.44 4.77 1dl5A1 PRO 263 HB2 0.09 0.02 0.05 -0.04 2.28 2.40 1dl5A1 PRO 263 HB3 0.07 0.05 0.12 -0.04 2.02 2.22 1dl5A1 PRO 263 HG2 0.21 -0.03 0.11 -0.04 2.03 2.28 1dl5A1 PRO 263 HG3 0.34 0.04 0.07 -0.04 2.03 2.45 1dl5A1 PRO 263 HD2 0.20 -0.01 0.25 -0.04 3.68 4.08 1dl5A1 PRO 263 HD3 0.17 0.20 0.19 -0.04 3.65 4.17 1dl5A1 ASN 264 H -0.03 0.04 -0.05 -0.55 8.53 7.95 1dl5A1 ASN 264 HA 0.00 0.25 0.94 -0.75 4.76 5.20 1dl5A1 ASN 264 HB2 -0.05 0.05 0.08 -0.04 2.88 2.91 1dl5A1 ASN 264 HB3 -0.04 -0.05 0.20 -0.04 2.79 2.86 1dl5A1 ASN 264 HD21 0.13 0.03 -0.06 -0.04 7.03 7.08 1dl5A1 ASN 264 HD22 0.10 -0.04 -0.02 -0.04 7.74 7.73 1dl5A1 GLY 265 H -0.36 0.22 -0.12 -0.55 8.43 7.62 1dl5A1 GLY 265 HA2 -1.58 0.06 0.40 -0.51 4.01 2.38 1dl5A1 GLY 265 HA3 -0.43 0.05 0.31 -0.51 4.01 3.43 1dl5A1 VAL 266 H -0.04 0.66 0.30 -0.55 8.24 8.61 1dl5A1 VAL 266 HA 0.04 0.26 1.10 -0.75 4.13 4.78 1dl5A1 VAL 266 HB 0.15 -0.06 0.11 -0.04 2.12 2.28 1dl5A1 VAL 266 HG13 0.09 0.00 -0.18 -0.04 0.97 0.84 1dl5A1 VAL 266 HG23 0.15 0.03 -0.08 -0.04 0.95 1.01 1dl5A1 VAL 267 H 0.20 0.47 0.30 -0.55 8.24 8.67 1dl5A1 VAL 267 HA 0.04 0.30 1.11 -0.75 4.13 4.84 1dl5A1 VAL 267 HB -0.06 -0.09 0.14 -0.04 2.12 2.08 1dl5A1 VAL 267 HG13 -0.52 0.00 -0.25 -0.04 0.97 0.16 1dl5A1 VAL 267 HG23 0.05 -0.01 -0.17 -0.04 0.95 0.78 1dl5A1 GLU 268 H 0.10 0.78 0.32 -0.55 8.60 9.25 1dl5A1 GLU 268 HA -0.15 0.20 0.87 -0.75 4.29 4.45 1dl5A1 GLU 268 HB2 0.38 0.02 0.03 -0.04 2.09 2.48 1dl5A1 GLU 268 HB3 0.27 -0.06 0.23 -0.04 1.99 2.39 1dl5A1 GLU 268 HG2 -0.01 -0.04 -0.30 -0.04 2.34 1.96 1dl5A1 GLU 268 HG3 -0.36 0.07 -0.05 -0.04 2.34 1.96 1dl5A1 PHE 269 H 0.00 0.69 0.33 -0.55 8.34 8.81 1dl5A1 PHE 269 HA 0.08 0.10 0.94 -0.75 4.62 4.98 1dl5A1 PHE 269 HB2 0.08 0.00 0.16 -0.04 3.15 3.35 1dl5A1 PHE 269 HB3 0.07 -0.00 0.02 -0.04 3.06 3.11 1dl5A1 PHE 269 HD2 0.13 0.04 -0.18 -0.04 7.28 7.24 1dl5A1 PHE 269 HE2 0.26 -0.02 -0.15 -0.04 7.38 7.43 1dl5A1 PHE 269 HZ 0.00 -0.02 -0.10 -0.04 7.32 7.16 1dl5A1 LEU 270 H 0.17 0.74 0.44 -0.55 8.37 9.17 1dl5A1 LEU 270 HA 0.11 0.17 0.87 -0.75 4.35 4.75 1dl5A1 LEU 270 HB2 0.08 0.06 -0.11 -0.04 1.64 1.63 1dl5A1 LEU 270 HB3 0.07 -0.09 0.10 -0.04 1.64 1.68 1dl5A1 LEU 270 HG 0.06 -0.04 -0.49 -0.04 1.64 1.12 1dl5A1 LEU 270 HD13 0.06 -0.01 -0.13 -0.04 0.93 0.81 1dl5A1 LEU 270 HD23 0.04 0.05 -0.06 -0.04 0.89 0.87 1dl5A1 ASP 271 H 0.08 0.16 0.11 -0.55 8.40 8.20 1dl5A1 ASP 271 HA 0.09 -0.04 0.46 -0.75 4.63 4.39 1dl5A1 ASP 271 HB2 0.06 0.02 0.17 -0.04 2.71 2.91 1dl5A1 ASP 271 HB3 0.05 0.04 0.19 -0.04 2.70 2.94 1dl5A1 ASP 272 H 0.11 0.03 0.34 -0.55 8.40 8.33 1dl5A1 ASP 272 HA 0.11 0.00 0.46 -0.75 4.63 4.44 1dl5A1 ASP 272 HB2 0.05 0.12 -0.07 -0.04 2.71 2.77 1dl5A1 ASP 272 HB3 0.05 0.07 0.34 -0.04 2.70 3.12 1dl5A1 ARG 273 H 0.12 0.38 -0.11 -0.55 8.46 8.30 1dl5A1 ARG 273 HA 0.07 0.05 0.57 -0.75 4.34 4.27 1dl5A1 ARG 273 HB2 0.05 0.20 -0.01 -0.04 1.90 2.10 1dl5A1 ARG 273 HB3 0.06 -0.07 -0.28 -0.04 1.80 1.48 1dl5A1 ARG 273 HG2 0.06 -0.02 -0.26 -0.04 1.67 1.41 1dl5A1 ARG 273 HG3 0.05 -0.00 -0.07 -0.04 1.67 1.60 1dl5A1 ARG 273 HD2 0.05 -0.03 -0.13 -0.04 3.22 3.06 1dl5A1 ARG 273 HD3 0.04 -0.03 -0.11 -0.04 3.22 3.09 1dl5A1 MET 274 H 0.05 0.57 0.28 -0.55 8.47 8.82 1dl5A1 MET 274 HA 0.03 0.24 0.99 -0.75 4.52 5.02 1dl5A1 MET 274 HB2 -0.18 0.05 -0.07 -0.04 2.15 1.91 1dl5A1 MET 274 HB3 0.14 -0.05 -0.11 -0.04 2.03 1.97 1dl5A1 MET 274 HG2 0.04 0.08 -0.05 -0.04 2.63 2.66 1dl5A1 MET 274 HG3 -0.01 -0.04 -0.08 -0.04 2.56 2.38 1dl5A1 MET 274 HE3 -0.01 -0.01 -0.19 -0.04 2.10 1.85 1dl5A1 ARG 275 H 0.03 0.61 0.33 -0.55 8.46 8.87 1dl5A1 ARG 275 HA 0.06 0.17 1.04 -0.75 4.34 4.86 1dl5A1 ARG 275 HB2 0.27 -0.03 0.16 -0.04 1.90 2.26 1dl5A1 ARG 275 HB3 0.13 0.04 -0.02 -0.04 1.80 1.91 1dl5A1 ARG 275 HG2 0.15 0.01 -0.07 -0.04 1.67 1.72 1dl5A1 ARG 275 HG3 0.10 -0.06 -0.16 -0.04 1.67 1.51 1dl5A1 ARG 275 HD2 0.19 0.00 -0.05 -0.04 3.22 3.31 1dl5A1 ARG 275 HD3 0.11 0.02 -0.06 -0.04 3.22 3.24 1dl5A1 ILE 276 H -0.18 0.81 0.43 -0.55 8.25 8.76 1dl5A1 ILE 276 HA -0.01 0.21 1.05 -0.75 4.18 4.68 1dl5A1 ILE 276 HB -0.22 -0.07 0.17 -0.04 1.89 1.74 1dl5A1 ILE 276 HG12 -0.07 -0.02 -0.16 -0.04 1.49 1.20 1dl5A1 ILE 276 HG13 -0.09 0.02 -0.17 -0.04 1.21 0.93 1dl5A1 ILE 276 HG23 -0.10 0.01 -0.29 -0.04 0.93 0.51 1dl5A1 ILE 276 HD13 -0.08 -0.02 -0.13 -0.04 0.88 0.61 1dl5A1 TYR 277 H 0.20 0.81 0.37 -0.55 8.29 9.12 1dl5A1 TYR 277 HA 0.01 0.10 0.91 -0.75 4.56 4.82 1dl5A1 TYR 277 HB2 0.12 -0.07 0.15 -0.04 3.06 3.22 1dl5A1 TYR 277 HB3 0.18 0.16 -0.17 -0.04 2.98 3.11 1dl5A1 TYR 277 HD2 0.16 0.15 -0.13 -0.04 7.15 7.29 1dl5A1 TYR 277 HE2 0.18 -0.03 -0.06 -0.04 6.85 6.90 1dl5A1 GLY 278 H 0.05 0.56 0.14 -0.55 8.43 8.63 1dl5A1 GLY 278 HA2 0.01 0.02 0.37 -0.51 4.01 3.91 1dl5A1 GLY 278 HA3 -0.34 0.12 0.68 -0.51 4.01 3.97 1dl5A1 ASP 279 H -0.28 0.82 0.35 -0.55 8.40 8.74 1dl5A1 ASP 279 HA -0.11 0.14 0.91 -0.75 4.63 4.82 1dl5A1 ASP 279 HB2 -0.08 0.07 0.09 -0.04 2.71 2.74 1dl5A1 ASP 279 HB3 -0.07 -0.08 -0.02 -0.04 2.70 2.49 1dl5A1 ALA 280 H -0.09 0.17 -0.09 -0.55 8.40 7.84 1dl5A1 ALA 280 HA -0.08 0.16 0.63 -0.75 4.34 4.30 1dl5A1 ALA 280 HB3 -0.02 0.03 -0.12 -0.04 1.41 1.26 1dl5A1 PRO 281 HA -0.08 0.07 0.44 -0.51 4.44 4.36 1dl5A1 PRO 281 HB2 -0.06 0.09 -0.02 -0.04 2.28 2.25 1dl5A1 PRO 281 HB3 -0.05 0.07 0.09 -0.04 2.02 2.09 1dl5A1 PRO 281 HG2 -0.12 0.01 0.00 -0.04 2.03 1.88 1dl5A1 PRO 281 HG3 -0.04 0.13 0.00 -0.04 2.03 2.08 1dl5A1 PRO 281 HD2 -0.10 0.21 -0.18 -0.04 3.68 3.58 1dl5A1 PRO 281 HD3 -0.07 0.12 -0.03 -0.04 3.65 3.63 1dl5A1 GLU 282 H -0.33 0.14 -0.37 -0.55 8.60 7.50 1dl5A1 GLU 282 HA -0.23 0.13 0.41 -0.75 4.29 3.85 1dl5A1 GLU 282 HB2 -0.67 0.07 0.06 -0.04 2.09 1.51 1dl5A1 GLU 282 HB3 -1.39 0.04 0.06 -0.04 1.99 0.66 1dl5A1 GLU 282 HG2 -0.48 -0.01 -0.14 -0.04 2.34 1.66 1dl5A1 GLU 282 HG3 -0.71 0.08 -0.04 -0.04 2.34 1.62 1dl5A1 ILE 283 H -0.23 0.34 -0.25 -0.55 8.25 7.56 1dl5A1 ILE 283 HA -0.13 0.10 0.49 -0.75 4.18 3.89 1dl5A1 ILE 283 HB -0.10 0.13 0.07 -0.04 1.89 1.95 1dl5A1 ILE 283 HG12 -0.57 -0.06 -0.02 -0.04 1.49 0.80 1dl5A1 ILE 283 HG13 -0.46 0.01 -0.04 -0.04 1.21 0.69 1dl5A1 ILE 283 HG23 0.16 -0.00 -0.13 -0.04 0.93 0.92 1dl5A1 ILE 283 HD13 -0.93 0.01 -0.08 -0.04 0.88 -0.16 1dl5A1 GLU 284 H -0.07 0.30 -0.13 -0.55 8.60 8.16 1dl5A1 GLU 284 HA -0.01 0.04 0.37 -0.75 4.29 3.93 1dl5A1 GLU 284 HB2 -0.04 0.15 0.10 -0.04 2.09 2.26 1dl5A1 GLU 284 HB3 -0.03 0.00 0.03 -0.04 1.99 1.95 1dl5A1 GLU 284 HG2 -0.04 -0.00 -0.04 -0.04 2.34 2.21 1dl5A1 GLU 284 HG3 -0.06 0.07 -0.04 -0.04 2.34 2.27 1dl5A1 ASN 285 H -0.04 0.43 -0.31 -0.55 8.53 8.06 1dl5A1 ASN 285 HA 0.00 0.03 0.45 -0.75 4.76 4.49 1dl5A1 ASN 285 HB2 -0.03 0.12 0.15 -0.04 2.88 3.08 1dl5A1 ASN 285 HB3 0.00 0.00 0.01 -0.04 2.79 2.76 1dl5A1 ASN 285 HD21 -0.02 -0.04 -0.06 -0.04 7.03 6.87 1dl5A1 ASN 285 HD22 -0.01 0.00 -0.03 -0.04 7.74 7.66 1dl5A1 LEU 286 H 0.03 0.40 -0.17 -0.55 8.37 8.08 1dl5A1 LEU 286 HA 0.11 0.02 0.44 -0.75 4.35 4.16 1dl5A1 LEU 286 HB2 0.13 0.08 0.16 -0.04 1.64 1.97 1dl5A1 LEU 286 HB3 0.11 -0.05 -0.07 -0.04 1.64 1.60 1dl5A1 LEU 286 HG -0.04 0.19 0.07 -0.04 1.64 1.83 1dl5A1 LEU 286 HD13 -0.20 -0.03 -0.09 -0.04 0.93 0.57 1dl5A1 LEU 286 HD23 0.03 -0.01 -0.17 -0.04 0.89 0.69 1dl5A1 LEU 287 H 0.17 0.51 -0.28 -0.55 8.37 8.22 1dl5A1 LEU 287 HA 0.15 0.00 0.38 -0.75 4.35 4.14 1dl5A1 LEU 287 HB2 -0.16 0.02 0.06 -0.04 1.64 1.52 1dl5A1 LEU 287 HB3 -0.01 0.16 0.13 -0.04 1.64 1.88 1dl5A1 LEU 287 HG -0.01 -0.00 -0.17 -0.04 1.64 1.42 1dl5A1 LEU 287 HD13 -0.19 -0.02 0.01 -0.04 0.93 0.68 1dl5A1 LEU 287 HD23 -0.07 0.00 -0.05 -0.04 0.89 0.73 1dl5A1 THR 288 H 0.05 0.50 -0.15 -0.55 8.28 8.13 1dl5A1 THR 288 HA -0.02 0.01 0.45 -0.75 4.39 4.07 1dl5A1 THR 288 HB 0.01 0.11 0.18 -0.04 4.32 4.57 1dl5A1 THR 288 HG23 -0.02 -0.01 -0.07 -0.04 1.22 1.07 1dl5A1 GLN 289 H 0.07 0.61 -0.09 -0.55 8.47 8.52 1dl5A1 GLN 289 HA 0.03 0.03 0.40 -0.75 4.36 4.05 1dl5A1 GLN 289 HB2 0.13 0.06 0.19 -0.04 2.15 2.49 1dl5A1 GLN 289 HB3 0.09 0.05 0.04 -0.04 2.02 2.17 1dl5A1 GLN 289 HG2 0.02 0.02 0.09 -0.04 2.40 2.49 1dl5A1 GLN 289 HG3 0.03 0.02 0.11 -0.04 2.39 2.51 1dl5A1 GLN 289 HE21 0.05 0.03 -0.04 -0.04 6.97 6.97 1dl5A1 GLN 289 HE22 -0.00 -0.02 -0.02 -0.04 7.69 7.60 1dl5A1 TRP 290 H 0.29 0.60 -0.22 -0.55 7.97 8.09 1dl5A1 TRP 290 HA -0.00 0.05 0.33 -0.75 4.62 4.24 1dl5A1 TRP 290 HB2 0.17 0.05 0.06 -0.04 3.23 3.47 1dl5A1 TRP 290 HB3 0.00 0.08 0.12 -0.04 3.23 3.40 1dl5A1 TRP 290 HD1 0.08 0.03 -0.09 -0.04 7.22 7.21 1dl5A1 TRP 290 HE1 0.14 0.46 -0.47 -0.04 10.20 10.30 1dl5A1 TRP 290 HE3 -0.16 0.04 -0.03 -0.04 7.59 7.40 1dl5A1 TRP 290 HZ2 0.19 0.02 -0.12 -0.04 7.44 7.49 1dl5A1 TRP 290 HZ3 -0.01 -0.05 -0.04 -0.04 7.13 7.00 1dl5A1 TRP 290 HH2 0.16 0.18 -0.03 -0.04 7.19 7.46 1dl5A1 GLU 291 H -0.10 0.60 -0.19 -0.55 8.60 8.35 1dl5A1 GLU 291 HA -1.60 -0.05 0.39 -0.75 4.29 2.29 1dl5A1 GLU 291 HB2 -0.40 -0.04 0.11 -0.04 2.09 1.71 1dl5A1 GLU 291 HB3 -0.20 0.15 0.22 -0.04 1.99 2.12 1dl5A1 GLU 291 HG2 -0.21 0.04 -0.30 -0.04 2.34 1.83 1dl5A1 GLU 291 HG3 -0.32 -0.06 -0.01 -0.04 2.34 1.91 1dl5A1 SER 292 H -0.14 0.57 -0.20 -0.55 8.46 8.14 1dl5A1 SER 292 HA -0.12 -0.01 0.40 -0.75 4.49 4.01 1dl5A1 SER 292 HB2 -0.05 0.00 0.10 -0.04 3.95 3.96 1dl5A1 SER 292 HB3 -0.06 0.00 0.12 -0.04 3.93 3.95 1dl5A1 CYS 293 H -0.14 0.29 -0.66 -0.55 8.50 7.44 1dl5A1 CYS 293 HA -0.04 0.16 0.78 -0.75 4.58 4.73 1dl5A1 CYS 293 HB2 0.07 0.04 0.08 -0.04 2.97 3.12 1dl5A1 CYS 293 HB3 0.06 -0.04 0.13 -0.04 2.97 3.09 1dl5A1 GLY 294 H -0.23 0.41 -0.48 -0.55 8.43 7.58 1dl5A1 GLY 294 HA2 -0.12 0.03 0.29 -0.51 4.01 3.70 1dl5A1 GLY 294 HA3 -0.08 0.02 0.34 -0.51 4.01 3.78 1dl5A1 TYR 295 H -0.80 0.53 -0.20 -0.55 8.29 7.27 1dl5A1 TYR 295 HA -2.20 0.00 0.12 -0.75 4.56 1.73 1dl5A1 TYR 295 HB2 -0.40 0.19 -0.05 -0.04 3.06 2.76 1dl5A1 TYR 295 HB3 -0.78 -0.10 0.09 -0.04 2.98 2.15 1dl5A1 TYR 295 HD2 -1.25 0.04 -0.23 -0.04 7.15 5.66 1dl5A1 TYR 295 HE2 -0.26 -0.01 -0.03 -0.04 6.85 6.50 1dl5A1 ARG 296 H -0.02 0.31 -0.44 -0.55 8.46 7.76 1dl5A1 ARG 296 HA 0.13 -0.01 0.42 -0.75 4.34 4.12 1dl5A1 ARG 296 HB2 0.17 0.07 -0.02 -0.04 1.90 2.07 1dl5A1 ARG 296 HB3 0.16 -0.10 0.04 -0.04 1.80 1.87 1dl5A1 SER 297 H 0.24 0.06 0.14 -0.55 8.46 8.35 1dl5A1 SER 297 HA 0.25 0.15 0.48 -0.75 4.49 4.61 1dl5A1 SER 297 HB2 -0.13 -0.08 0.14 -0.04 3.95 3.84 1dl5A1 SER 297 HB3 0.11 0.05 0.12 -0.04 3.93 4.17 1dl5A1 PHE 298 H 0.16 0.12 0.11 -0.55 8.34 8.18 1dl5A1 PHE 298 HA 0.07 0.15 0.26 -0.75 4.62 4.34 1dl5A1 PHE 298 HB2 0.10 0.07 0.01 -0.04 3.15 3.29 1dl5A1 PHE 298 HB3 -0.02 -0.00 0.05 -0.04 3.06 3.04 1dl5A1 PHE 298 HD2 0.04 0.02 -0.17 -0.04 7.28 7.13 1dl5A1 PHE 298 HE2 -0.22 -0.00 -0.06 -0.04 7.38 7.06 1dl5A1 PHE 298 HZ -0.11 -0.00 -0.04 -0.04 7.32 7.12 1dl5A1 GLU 299 H -1.01 0.00 -0.33 -0.55 8.60 6.72 1dl5A1 GLU 299 HA -0.48 0.04 0.36 -0.75 4.29 3.45 1dl5A1 GLU 299 HB2 -1.23 -0.01 -0.03 -0.04 2.09 0.78 1dl5A1 GLU 299 HB3 -0.96 0.08 0.01 -0.04 1.99 1.08 1dl5A1 GLU 299 HG2 -1.33 0.03 -0.03 -0.04 2.34 0.98 1dl5A1 GLU 299 HG3 -1.94 -0.03 -0.02 -0.04 2.34 0.31 1dl5A1 TYR 300 H -0.06 0.39 -0.41 -0.55 8.29 7.66 1dl5A1 TYR 300 HA 0.01 0.24 0.92 -0.75 4.56 4.97 1dl5A1 TYR 300 HB2 0.02 0.03 0.03 -0.04 3.06 3.10 1dl5A1 TYR 300 HB3 0.01 0.01 0.16 -0.04 2.98 3.12 1dl5A1 TYR 300 HD2 -0.04 0.03 -0.02 -0.04 7.15 7.08 1dl5A1 TYR 300 HE2 -0.07 -0.02 -0.03 -0.04 6.85 6.69 1dl5A1 LEU 301 H 0.11 0.41 -0.16 -0.55 8.37 8.19 1dl5A1 LEU 301 HA 0.14 0.20 1.03 -0.75 4.35 4.96 1dl5A1 LEU 301 HB2 0.18 -0.05 -0.05 -0.04 1.64 1.68 1dl5A1 LEU 301 HB3 0.17 0.03 0.03 -0.04 1.64 1.82 1dl5A1 LEU 301 HG 0.23 0.02 -0.44 -0.04 1.64 1.41 1dl5A1 LEU 301 HD13 0.31 -0.01 -0.20 -0.04 0.93 0.99 1dl5A1 LEU 301 HD23 0.18 0.04 -0.09 -0.04 0.89 0.98 1dl5A1 MET 302 H 0.12 0.61 0.36 -0.55 8.47 9.02 1dl5A1 MET 302 HA 0.05 0.24 0.89 -0.75 4.52 4.95 1dl5A1 MET 302 HB2 0.06 -0.04 0.03 -0.04 2.15 2.16 1dl5A1 MET 302 HB3 0.15 -0.13 0.11 -0.04 2.03 2.12 1dl5A1 MET 302 HG2 -0.30 0.00 -0.23 -0.04 2.63 2.06 1dl5A1 MET 302 HG3 -0.07 0.13 0.02 -0.04 2.56 2.60 1dl5A1 MET 302 HE3 -0.00 0.01 -0.07 -0.04 2.10 1.99 1dl5A1 LEU 303 H 0.05 0.75 0.40 -0.55 8.37 9.03 1dl5A1 LEU 303 HA 0.10 0.14 0.90 -0.75 4.35 4.74 1dl5A1 LEU 303 HB2 0.24 -0.03 0.05 -0.04 1.64 1.86 1dl5A1 LEU 303 HB3 0.07 -0.01 -0.04 -0.04 1.64 1.62 1dl5A1 LEU 303 HG 0.17 0.17 -0.00 -0.04 1.64 1.94 1dl5A1 LEU 303 HD13 0.04 -0.03 -0.13 -0.04 0.93 0.78 1dl5A1 LEU 303 HD23 0.11 -0.01 -0.22 -0.04 0.89 0.73 1dl5A1 HIS 304 H 0.06 0.51 0.26 -0.55 8.41 8.70 1dl5A1 HIS 304 HA -0.07 0.21 0.91 -0.75 4.63 4.93 1dl5A1 HIS 304 HB2 -1.07 -0.09 0.25 -0.04 3.26 2.30 1dl5A1 HIS 304 HB3 -0.92 0.02 0.00 -0.04 3.20 2.26 1dl5A1 HIS 304 HD2 -0.11 0.16 -0.24 -0.04 6.97 6.74 1dl5A1 HIS 304 HE1 0.01 -0.01 -0.11 -0.04 7.75 7.59 1dl5A1 VAL 305 H 0.01 0.71 0.19 -0.55 8.24 8.60 1dl5A1 VAL 305 HA -0.07 0.08 0.74 -0.75 4.13 4.12 1dl5A1 VAL 305 HB -0.17 -0.08 0.19 -0.04 2.12 2.02 1dl5A1 VAL 305 HG13 -0.35 0.05 -0.04 -0.04 0.97 0.59 1dl5A1 VAL 305 HG23 -0.23 -0.00 -0.06 -0.04 0.95 0.62 1dl5A1 GLY 306 H -0.06 0.11 0.14 -0.55 8.43 8.07 1dl5A1 GLY 306 HA2 -0.44 0.19 0.58 -0.51 4.01 3.83 1dl5A1 GLY 306 HA3 -0.25 0.12 0.00 -0.51 4.01 3.37 1dl5A1 TYR 307 H -0.43 0.80 0.29 -0.55 8.29 8.40 1dl5A1 TYR 307 HA -0.35 0.07 0.88 -0.75 4.56 4.41 1dl5A1 TYR 307 HB2 -1.30 0.06 0.09 -0.04 3.06 1.87 1dl5A1 TYR 307 HB3 -0.50 -0.07 0.02 -0.04 2.98 2.40 1dl5A1 TYR 307 HD2 -0.60 0.01 -0.10 -0.04 7.15 6.41 1dl5A1 TYR 307 HE2 -0.30 -0.03 -0.22 -0.04 6.85 6.25 1dl5A1 ASN 308 H -0.23 0.19 0.10 -0.55 8.53 8.05 1dl5A1 ASN 308 HA -0.17 -0.01 0.30 -0.75 4.76 4.13 1dl5A1 ASN 308 HB2 -0.08 0.33 0.25 -0.04 2.88 3.34 1dl5A1 ASN 308 HB3 -0.09 -0.04 0.25 -0.04 2.79 2.87 1dl5A1 ASN 308 HD21 0.02 -0.03 -0.07 -0.04 7.03 6.91 1dl5A1 ASN 308 HD22 0.03 0.09 -0.12 -0.04 7.74 7.70 1dl5A1 ALA 309 H -0.31 0.27 -0.35 -0.55 8.40 7.46 1dl5A1 ALA 309 HA -0.29 0.04 0.47 -0.75 4.34 3.80 1dl5A1 ALA 309 HB3 -0.30 0.03 -0.09 -0.04 1.41 1.01 1dl5A1 PHE 310 H -0.07 0.08 0.09 -0.55 8.34 7.89 1dl5A1 PHE 310 HA -0.03 0.12 0.61 -0.75 4.62 4.57 1dl5A1 PHE 310 HB2 0.05 0.00 0.09 -0.04 3.15 3.25 1dl5A1 PHE 310 HB3 0.03 0.04 0.12 -0.04 3.06 3.21 1dl5A1 PHE 310 HD2 0.02 0.06 0.02 -0.04 7.28 7.33 1dl5A1 PHE 310 HE2 0.04 0.03 -0.00 -0.04 7.38 7.41 1dl5A1 PHE 310 HZ 0.03 0.01 0.00 -0.04 7.32 7.31 1dl5A1 SER 311 H 0.19 0.04 0.18 -0.55 8.46 8.33 1dl5A1 SER 311 HA 0.27 0.25 0.86 -0.75 4.49 5.11 1dl5A1 SER 311 HB2 0.01 -0.15 0.03 -0.04 3.95 3.79 1dl5A1 SER 311 HB3 0.01 0.13 0.23 -0.04 3.93 4.26 1dl5A1 HIS 312 H -0.08 0.59 0.38 -0.55 8.41 8.75 1dl5A1 HIS 312 HA 0.02 0.07 0.59 -0.75 4.63 4.56 1dl5A1 HIS 312 HB2 -0.08 -0.01 0.11 -0.04 3.26 3.25 1dl5A1 HIS 312 HB3 -0.02 0.06 -0.12 -0.04 3.20 3.08 1dl5A1 HIS 312 HD2 -0.60 0.04 -0.27 -0.04 6.97 6.09 1dl5A1 HIS 312 HE1 -1.07 0.03 -0.10 -0.04 7.75 6.56 1dl5A1 ILE 313 H 0.14 0.16 0.17 -0.55 8.25 8.17 1dl5A1 ILE 313 HA 0.16 0.30 1.01 -0.75 4.18 4.90 1dl5A1 ILE 313 HB 0.15 -0.07 -0.03 -0.04 1.89 1.90 1dl5A1 ILE 313 HG12 0.08 0.06 -0.11 -0.04 1.49 1.49 1dl5A1 ILE 313 HG13 0.07 -0.13 -0.27 -0.04 1.21 0.85 1dl5A1 ILE 313 HG23 0.18 0.02 -0.16 -0.04 0.93 0.93 1dl5A1 ILE 313 HD13 0.12 0.02 -0.08 -0.04 0.88 0.89 1dl5A1 SER 314 H 0.20 0.61 0.35 -0.55 8.46 9.07 1dl5A1 SER 314 HA 0.08 0.15 0.70 -0.75 4.49 4.67 1dl5A1 SER 314 HB2 0.11 -0.09 0.12 -0.04 3.95 4.04 1dl5A1 SER 314 HB3 0.05 0.07 -0.16 -0.04 3.93 3.85 1dl5A1 CYS 315 H 0.07 0.16 0.07 -0.55 8.50 8.24 1dl5A1 CYS 315 HA 0.08 0.09 0.61 -0.75 4.58 4.61 1dl5A1 CYS 315 HB2 0.06 0.07 0.23 -0.04 2.97 3.28 1dl5A1 CYS 315 HB3 0.09 0.10 -0.03 -0.04 2.97 3.09 1dl5A1 SER 316 H 0.06 0.12 0.07 -0.55 8.46 8.17 1dl5A1 SER 316 HA 0.03 0.13 0.43 -0.75 4.49 4.32 1dl5A1 SER 316 HB2 0.03 0.04 0.07 -0.04 3.95 4.04 1dl5A1 SER 316 HB3 0.04 -0.00 0.11 -0.04 3.93 4.03 1dl5A1 ILE 317 H 0.04 0.04 -0.39 -0.55 8.25 7.40 1dl5A1 ILE 317 HA 0.03 0.05 0.10 -0.75 4.18 3.61 1dl5A1 ILE 317 HB 0.02 0.27 0.03 -0.04 1.89 2.16 1dl5A1 ILE 317 HG12 0.03 0.19 -0.30 -0.04 1.49 1.37 1dl5A1 ILE 317 HG13 0.02 -0.01 -0.06 -0.04 1.21 1.11 1dl5A1 ILE 317 HG23 0.02 -0.01 0.04 -0.04 0.93 0.93 1dl5A1 ILE 317 HD13 0.04 -0.01 -0.02 -0.04 0.88 0.85