============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 1 1.040 1.528 20.808 24.557 -99.200 -91.000 TRP6 1 1.020 0.542 19.396 26.165 -99.200 -91.000 PHE 8 1.000 0.514 24.204 28.498 -99.200 -91.000 TRP 9 1.040 5.221 22.319 28.458 -99.200 -91.000 TRP6 9 1.020 4.337 21.128 30.274 -99.200 -91.000 PHE 16 1.000 6.962 26.484 41.145 -99.200 -91.000 PHE 17 1.000 10.382 29.909 38.827 -99.200 -91.000 PHE 21 1.000 9.715 35.134 42.549 -99.200 -91.000 TYR 22 0.840 -0.672 36.955 45.365 -99.200 -91.000 PHE 24 1.000 9.914 35.077 50.362 -99.200 -91.000 PHE 25 1.000 8.936 39.222 47.589 -99.200 -91.000 TRP 33 1.040 -1.719 39.375 66.746 -99.200 -91.000 TRP6 33 1.020 -2.794 39.773 68.814 -99.200 -91.000 HIS 38 0.900 -1.729 43.572 60.083 -99.200 -91.000 PHE 46 1.000 -1.301 39.388 50.576 -99.200 -91.000 HIS 59 0.900 5.868 39.841 29.594 -99.200 -91.000 HIS 64 0.900 -4.803 33.351 34.256 -99.200 -91.000 PHE 71 1.000 -14.698 28.486 38.257 -99.200 -91.000 PHE 73 1.000 -8.576 35.667 32.774 -99.200 -91.000 TYR 87 0.840 -1.982 29.439 33.186 -99.200 -91.000 TYR 103 0.840 8.611 26.879 59.200 -99.200 -91.000 HIS 120 0.900 -13.478 40.440 63.964 -99.200 -91.000 PHE 134 1.000 -21.168 41.514 47.324 -99.200 -91.000 PHE 139 1.000 -7.848 40.244 42.081 -99.200 -91.000 PHE 144 1.000 -13.046 37.562 33.012 -99.200 -91.000 TYR 147 0.840 -5.395 40.430 32.721 -99.200 -91.000 PHE 164 1.000 -2.581 51.229 43.437 -99.200 -91.000 HIS 170 0.900 -5.502 41.648 50.343 -99.200 -91.000 PHE 172 1.000 -15.501 44.897 52.787 -99.200 -91.000 TYR 175 0.840 -10.061 46.519 59.755 -99.200 -91.000 TYR 176 0.840 -16.143 42.861 57.018 -99.200 -91.000 PHE 187 1.000 -3.429 23.560 49.445 -99.200 -91.000 PHE 196 1.000 -5.890 22.153 55.161 -99.200 -91.000 HIS 199 0.900 -8.040 26.348 52.927 -99.200 -91.000 TRP 200 1.040 -17.370 26.266 52.547 -99.200 -91.000 TRP6 200 1.020 -18.212 25.006 50.734 -99.200 -91.000 TYR 202 0.840 -10.445 32.237 54.180 -99.200 -91.000 TRP 203 1.040 -9.677 26.123 48.460 -99.200 -91.000 TRP6 203 1.020 -8.702 25.597 46.372 -99.200 -91.000 TYR 217 0.840 -15.815 42.793 31.039 -99.200 -91.000 PHE 219 1.000 -22.183 34.397 29.334 -99.200 -91.000 PHE 222 1.000 -17.102 45.608 25.440 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b6pA1 TRP 2 HA -0.08 -0.18 0.13 -0.75 4.62 3.73 2b6pA1 TRP 2 HB2 -0.37 -0.01 0.08 -0.04 3.23 2.89 2b6pA1 TRP 2 HB3 -0.33 0.03 0.15 -0.04 3.23 3.04 2b6pA1 TRP 2 HD1 -0.02 -0.19 -0.03 -0.04 7.22 6.94 2b6pA1 TRP 2 HE1 0.28 -0.01 -0.04 -0.04 10.20 10.39 2b6pA1 TRP 2 HE3 -0.40 0.00 0.03 -0.04 7.59 7.18 2b6pA1 TRP 2 HZ2 0.35 0.01 -0.02 -0.04 7.44 7.73 2b6pA1 TRP 2 HZ3 -0.14 0.01 -0.01 -0.04 7.13 6.95 2b6pA1 TRP 2 HH2 0.11 0.02 -0.02 -0.04 7.19 7.26 2b6pA1 GLU 3 H -0.04 0.18 0.06 -0.55 8.60 8.25 2b6pA1 GLU 3 HA -0.40 0.06 -0.39 -0.75 4.29 2.81 2b6pA1 GLU 3 HB2 -0.13 0.06 0.27 -0.04 2.09 2.25 2b6pA1 GLU 3 HB3 -0.10 0.00 0.13 -0.04 1.99 1.99 2b6pA1 GLU 3 HG2 -0.13 0.00 0.08 -0.04 2.34 2.25 2b6pA1 GLU 3 HG3 -0.21 -0.05 0.08 -0.04 2.34 2.12 2b6pA1 LEU 4 H 0.01 0.20 0.07 -0.55 8.37 8.10 2b6pA1 LEU 4 HA -0.01 -0.00 0.13 -0.75 4.35 3.71 2b6pA1 LEU 4 HB2 -0.01 0.03 -0.11 -0.04 1.64 1.50 2b6pA1 LEU 4 HB3 0.02 0.02 0.03 -0.04 1.64 1.67 2b6pA1 LEU 4 HG 0.01 -0.03 0.03 -0.04 1.64 1.60 2b6pA1 LEU 4 HD13 -0.02 0.01 0.07 -0.04 0.93 0.96 2b6pA1 LEU 4 HD23 -0.02 0.03 0.05 -0.04 0.89 0.92 2b6pA1 ARG 5 H 0.11 0.15 0.04 -0.55 8.46 8.21 2b6pA1 ARG 5 HA 0.17 0.00 0.32 -0.75 4.34 4.08 2b6pA1 ARG 5 HB2 0.08 0.00 0.16 -0.04 1.90 2.11 2b6pA1 ARG 5 HB3 0.07 0.03 0.07 -0.04 1.80 1.93 2b6pA1 ARG 5 HG2 0.04 0.04 -0.07 -0.04 1.67 1.64 2b6pA1 ARG 5 HG3 0.05 -0.28 -0.71 -0.04 1.67 0.69 2b6pA1 ARG 5 HD2 0.06 0.01 0.04 -0.04 3.22 3.29 2b6pA1 ARG 5 HD3 0.04 -0.01 -0.01 -0.04 3.22 3.20 2b6pA1 SER 6 H 0.37 0.09 -0.17 -0.55 8.46 8.21 2b6pA1 SER 6 HA 0.15 0.21 0.90 -0.75 4.49 5.00 2b6pA1 SER 6 HB2 0.17 0.22 0.09 -0.04 3.95 4.39 2b6pA1 SER 6 HB3 0.28 -0.02 0.16 -0.04 3.93 4.31 2b6pA1 ALA 7 H 0.16 0.34 -0.10 -0.55 8.40 8.25 2b6pA1 ALA 7 HA 0.34 0.12 0.82 -0.75 4.34 4.87 2b6pA1 ALA 7 HB3 0.12 0.05 0.10 -0.04 1.41 1.64 2b6pA1 SER 8 H 0.11 0.20 -0.04 -0.55 8.46 8.17 2b6pA1 SER 8 HA 0.04 0.09 0.73 -0.75 4.49 4.60 2b6pA1 SER 8 HB2 0.02 0.08 0.17 -0.04 3.95 4.17 2b6pA1 SER 8 HB3 0.05 -0.01 0.17 -0.04 3.93 4.10 2b6pA1 PHE 9 H 0.13 0.01 -0.85 -0.55 8.34 7.07 2b6pA1 PHE 9 HA -0.20 0.26 0.64 -0.75 4.62 4.56 2b6pA1 PHE 9 HB2 -0.30 0.09 0.08 -0.04 3.15 2.98 2b6pA1 PHE 9 HB3 -0.56 0.16 0.09 -0.04 3.06 2.72 2b6pA1 PHE 9 HD2 -1.43 0.04 -0.09 -0.04 7.28 5.76 2b6pA1 PHE 9 HE2 -1.33 -0.04 -0.04 -0.04 7.38 5.93 2b6pA1 PHE 9 HZ -0.65 0.02 -0.09 -0.04 7.32 6.56 2b6pA1 TRP 10 H 0.19 0.11 0.03 -0.55 7.97 7.76 2b6pA1 TRP 10 HA -0.21 0.13 0.62 -0.75 4.62 4.41 2b6pA1 TRP 10 HB2 0.00 0.05 0.20 -0.04 3.23 3.44 2b6pA1 TRP 10 HB3 -0.03 0.03 0.10 -0.04 3.23 3.29 2b6pA1 TRP 10 HD1 0.04 0.11 0.16 -0.04 7.22 7.48 2b6pA1 TRP 10 HE1 -0.03 0.00 -0.00 -0.04 10.20 10.13 2b6pA1 TRP 10 HE3 -0.08 -0.04 0.05 -0.04 7.59 7.48 2b6pA1 TRP 10 HZ2 -0.04 0.02 -0.02 -0.04 7.44 7.36 2b6pA1 TRP 10 HZ3 -0.03 0.01 -0.00 -0.04 7.13 7.07 2b6pA1 TRP 10 HH2 0.02 0.02 -0.01 -0.04 7.19 7.17 2b6pA1 ARG 11 H 0.09 0.39 0.11 -0.55 8.46 8.50 2b6pA1 ARG 11 HA 0.07 0.11 0.64 -0.75 4.34 4.40 2b6pA1 ARG 11 HB2 0.01 -0.02 0.17 -0.04 1.90 2.02 2b6pA1 ARG 11 HB3 0.00 0.03 0.02 -0.04 1.80 1.81 2b6pA1 ARG 11 HG2 0.05 -0.01 0.05 -0.04 1.67 1.73 2b6pA1 ARG 11 HG3 0.09 0.11 0.11 -0.04 1.67 1.94 2b6pA1 ARG 11 HD2 0.03 -0.03 -0.07 -0.04 3.22 3.11 2b6pA1 ARG 11 HD3 0.02 0.03 -0.01 -0.04 3.22 3.21 2b6pA1 ALA 12 H -0.11 0.10 -0.45 -0.55 8.40 7.39 2b6pA1 ALA 12 HA -0.13 0.07 0.27 -0.75 4.34 3.79 2b6pA1 ALA 12 HB3 -0.15 0.11 0.05 -0.04 1.41 1.38 2b6pA1 ILE 13 H -0.28 0.25 -0.34 -0.55 8.25 7.33 2b6pA1 ILE 13 HA -0.34 0.04 0.40 -0.75 4.18 3.52 2b6pA1 ILE 13 HB -0.09 0.08 0.15 -0.04 1.89 1.99 2b6pA1 ILE 13 HG12 -0.41 -0.05 -0.04 -0.04 1.49 0.95 2b6pA1 ILE 13 HG13 -0.94 0.30 0.14 -0.04 1.21 0.67 2b6pA1 ILE 13 HG23 -0.02 0.00 -0.11 -0.04 0.93 0.76 2b6pA1 ILE 13 HD13 -0.89 -0.02 -0.01 -0.04 0.88 -0.08 2b6pA1 CYS 14 H -0.02 0.36 -0.39 -0.55 8.50 7.90 2b6pA1 CYS 14 HA -0.04 0.04 0.47 -0.75 4.58 4.30 2b6pA1 CYS 14 HB2 0.11 0.15 0.16 -0.04 2.97 3.36 2b6pA1 CYS 14 HB3 0.27 -0.04 0.05 -0.04 2.97 3.22 2b6pA1 ALA 15 H -0.02 0.39 -0.31 -0.55 8.40 7.92 2b6pA1 ALA 15 HA 0.14 0.04 0.41 -0.75 4.34 4.17 2b6pA1 ALA 15 HB3 -0.06 0.06 0.11 -0.04 1.41 1.47 2b6pA1 GLU 16 H -0.23 0.68 -0.09 -0.55 8.60 8.42 2b6pA1 GLU 16 HA -0.15 -0.08 0.35 -0.75 4.29 3.66 2b6pA1 GLU 16 HB2 -0.38 0.17 0.13 -0.04 2.09 1.96 2b6pA1 GLU 16 HB3 -0.29 -0.05 0.02 -0.04 1.99 1.62 2b6pA1 GLU 16 HG2 -0.76 0.23 0.09 -0.04 2.34 1.86 2b6pA1 GLU 16 HG3 -1.83 0.01 0.02 -0.04 2.34 0.49 2b6pA1 PHE 17 H -0.01 0.37 -0.47 -0.55 8.34 7.68 2b6pA1 PHE 17 HA -0.16 0.17 0.43 -0.75 4.62 4.30 2b6pA1 PHE 17 HB2 -0.22 -0.01 0.14 -0.04 3.15 3.03 2b6pA1 PHE 17 HB3 -0.41 0.08 0.23 -0.04 3.06 2.91 2b6pA1 PHE 17 HD2 -0.83 0.04 0.00 -0.04 7.28 6.45 2b6pA1 PHE 17 HE2 -0.29 -0.01 -0.17 -0.04 7.38 6.86 2b6pA1 PHE 17 HZ -0.14 0.01 -0.06 -0.04 7.32 7.10 2b6pA1 PHE 18 H -0.01 0.73 0.06 -0.55 8.34 8.56 2b6pA1 PHE 18 HA -0.51 0.04 0.48 -0.75 4.62 3.88 2b6pA1 PHE 18 HB2 -0.00 0.08 0.17 -0.04 3.15 3.36 2b6pA1 PHE 18 HB3 -0.23 -0.03 0.02 -0.04 3.06 2.78 2b6pA1 PHE 18 HD2 -0.13 0.03 -0.01 -0.04 7.28 7.13 2b6pA1 PHE 18 HE2 0.07 -0.02 -0.00 -0.04 7.38 7.39 2b6pA1 PHE 18 HZ 0.06 -0.01 -0.00 -0.04 7.32 7.33 2b6pA1 ALA 19 H 0.06 0.76 -0.07 -0.55 8.40 8.60 2b6pA1 ALA 19 HA 0.29 0.03 0.42 -0.75 4.34 4.34 2b6pA1 ALA 19 HB3 0.09 -0.01 0.02 -0.04 1.41 1.47 2b6pA1 SER 20 H -0.10 0.43 -0.38 -0.55 8.46 7.87 2b6pA1 SER 20 HA 0.05 0.06 0.47 -0.75 4.49 4.32 2b6pA1 SER 20 HB2 -0.16 0.10 0.16 -0.04 3.95 4.01 2b6pA1 SER 20 HB3 -0.02 -0.00 0.09 -0.04 3.93 3.95 2b6pA1 LEU 21 H -0.30 0.40 -0.21 -0.55 8.37 7.71 2b6pA1 LEU 21 HA -0.11 0.18 0.50 -0.75 4.35 4.16 2b6pA1 LEU 21 HB2 -0.65 0.06 0.21 -0.04 1.64 1.23 2b6pA1 LEU 21 HB3 -0.56 0.08 0.22 -0.04 1.64 1.34 2b6pA1 LEU 21 HG -0.18 -0.06 -0.03 -0.04 1.64 1.34 2b6pA1 LEU 21 HD13 -0.24 -0.01 -0.02 -0.04 0.93 0.62 2b6pA1 LEU 21 HD23 -0.22 -0.01 -0.20 -0.04 0.89 0.42 2b6pA1 PHE 22 H -0.13 0.62 -0.04 -0.55 8.34 8.24 2b6pA1 PHE 22 HA 0.25 0.03 0.42 -0.75 4.62 4.57 2b6pA1 PHE 22 HB2 0.20 0.05 0.17 -0.04 3.15 3.53 2b6pA1 PHE 22 HB3 0.32 -0.02 -0.00 -0.04 3.06 3.32 2b6pA1 PHE 22 HD2 0.11 -0.03 -0.08 -0.04 7.28 7.24 2b6pA1 PHE 22 HE2 -0.01 -0.02 -0.05 -0.04 7.38 7.26 2b6pA1 PHE 22 HZ -0.05 -0.02 -0.02 -0.04 7.32 7.19 2b6pA1 TYR 23 H 0.40 0.66 -0.13 -0.55 8.29 8.67 2b6pA1 TYR 23 HA 0.20 -0.01 0.33 -0.75 4.56 4.32 2b6pA1 TYR 23 HB2 0.15 0.07 0.12 -0.04 3.06 3.36 2b6pA1 TYR 23 HB3 0.13 0.01 0.19 -0.04 2.98 3.27 2b6pA1 TYR 23 HD2 0.15 -0.01 -0.13 -0.04 7.15 7.11 2b6pA1 TYR 23 HE2 0.18 -0.03 -0.02 -0.04 6.85 6.93 2b6pA1 VAL 24 H 0.30 0.55 -0.19 -0.55 8.24 8.36 2b6pA1 VAL 24 HA 0.13 0.03 0.50 -0.75 4.13 4.04 2b6pA1 VAL 24 HB 0.14 0.09 0.22 -0.04 2.12 2.52 2b6pA1 VAL 24 HG13 0.10 0.01 -0.08 -0.04 0.97 0.96 2b6pA1 VAL 24 HG23 0.26 -0.01 0.09 -0.04 0.95 1.25 2b6pA1 PHE 25 H 0.24 0.67 -0.08 -0.55 8.34 8.61 2b6pA1 PHE 25 HA -0.08 0.08 0.30 -0.75 4.62 4.16 2b6pA1 PHE 25 HB2 -0.06 -0.00 0.18 -0.04 3.15 3.23 2b6pA1 PHE 25 HB3 -0.10 -0.00 0.21 -0.04 3.06 3.12 2b6pA1 PHE 25 HD2 -0.91 0.10 -0.07 -0.04 7.28 6.36 2b6pA1 PHE 25 HE2 -0.37 0.03 -0.22 -0.04 7.38 6.78 2b6pA1 PHE 25 HZ -0.15 0.01 -0.07 -0.04 7.32 7.07 2b6pA1 PHE 26 H 0.25 0.71 -0.10 -0.55 8.34 8.64 2b6pA1 PHE 26 HA -0.21 0.06 0.56 -0.75 4.62 4.28 2b6pA1 PHE 26 HB2 -0.05 0.10 0.08 -0.04 3.15 3.24 2b6pA1 PHE 26 HB3 -0.12 -0.04 -0.03 -0.04 3.06 2.82 2b6pA1 PHE 26 HD2 0.11 0.15 0.03 -0.04 7.28 7.54 2b6pA1 PHE 26 HE2 0.01 -0.04 -0.02 -0.04 7.38 7.29 2b6pA1 PHE 26 HZ -0.02 -0.04 -0.03 -0.04 7.32 7.19 2b6pA1 GLY 27 H -0.24 0.55 -0.12 -0.55 8.43 8.07 2b6pA1 GLY 27 HA2 -1.15 -0.03 0.36 -0.51 4.01 2.68 2b6pA1 GLY 27 HA3 -1.36 0.07 0.33 -0.51 4.01 2.55 2b6pA1 LEU 28 H -0.18 0.63 0.00 -0.55 8.37 8.28 2b6pA1 LEU 28 HA 0.02 0.06 0.39 -0.75 4.35 4.06 2b6pA1 LEU 28 HB2 -0.07 0.33 0.16 -0.04 1.64 2.02 2b6pA1 LEU 28 HB3 -0.07 -0.05 -0.12 -0.04 1.64 1.36 2b6pA1 LEU 28 HG 0.03 0.29 0.01 -0.04 1.64 1.93 2b6pA1 LEU 28 HD13 0.14 -0.01 0.06 -0.04 0.93 1.08 2b6pA1 LEU 28 HD23 0.03 -0.05 -0.02 -0.04 0.89 0.81 2b6pA1 GLY 29 H -0.30 0.44 -0.25 -0.55 8.43 7.76 2b6pA1 GLY 29 HA2 -0.22 -0.00 0.33 -0.51 4.01 3.61 2b6pA1 GLY 29 HA3 -0.38 0.09 0.31 -0.51 4.01 3.53 2b6pA1 ALA 30 H -0.20 0.48 -0.36 -0.55 8.40 7.77 2b6pA1 ALA 30 HA -0.07 0.03 0.52 -0.75 4.34 4.07 2b6pA1 ALA 30 HB3 -0.13 -0.02 0.10 -0.04 1.41 1.32 2b6pA1 SER 31 H -0.07 0.42 -0.52 -0.55 8.46 7.74 2b6pA1 SER 31 HA 0.07 0.07 0.71 -0.75 4.49 4.57 2b6pA1 SER 31 HB2 0.07 0.11 0.10 -0.04 3.95 4.19 2b6pA1 SER 31 HB3 0.14 -0.12 0.07 -0.04 3.93 3.98 2b6pA1 LEU 32 H -0.01 0.28 -0.23 -0.55 8.37 7.87 2b6pA1 LEU 32 HA 0.05 -0.10 0.43 -0.75 4.35 3.98 2b6pA1 LEU 32 HB2 -0.03 0.15 0.14 -0.04 1.64 1.86 2b6pA1 LEU 32 HB3 -0.01 0.00 -0.02 -0.04 1.64 1.57 2b6pA1 LEU 32 HG -0.03 0.11 0.02 -0.04 1.64 1.70 2b6pA1 LEU 32 HD13 -0.02 0.07 -0.11 -0.04 0.93 0.83 2b6pA1 LEU 32 HD23 -0.09 -0.02 -0.04 -0.04 0.89 0.70 2b6pA1 ARG 33 H 0.09 0.13 0.24 -0.55 8.46 8.36 2b6pA1 ARG 33 HA 0.03 -0.04 0.31 -0.75 4.34 3.89 2b6pA1 ARG 33 HB2 0.06 -0.22 0.24 -0.04 1.90 1.93 2b6pA1 ARG 33 HB3 0.05 0.19 0.40 -0.04 1.80 2.41 2b6pA1 ARG 33 HG2 0.16 0.26 -0.45 -0.04 1.67 1.60 2b6pA1 ARG 33 HG3 0.06 0.19 0.01 -0.04 1.67 1.89 2b6pA1 ARG 33 HD2 0.09 -0.21 0.00 -0.04 3.22 3.05 2b6pA1 ARG 33 HD3 0.09 0.01 0.04 -0.04 3.22 3.32 2b6pA1 TRP 34 H 0.13 0.10 0.07 -0.55 7.97 7.73 2b6pA1 TRP 34 HA -0.20 0.22 0.69 -0.75 4.62 4.57 2b6pA1 TRP 34 HB2 -0.07 -0.04 -0.02 -0.04 3.23 3.06 2b6pA1 TRP 34 HB3 -0.10 -0.34 0.24 -0.04 3.23 2.99 2b6pA1 TRP 34 HD1 -0.06 0.44 0.21 -0.04 7.22 7.78 2b6pA1 TRP 34 HE1 -0.02 -0.02 0.03 -0.04 10.20 10.15 2b6pA1 TRP 34 HE3 -0.04 -0.05 0.04 -0.04 7.59 7.50 2b6pA1 TRP 34 HZ2 -0.02 -0.01 0.01 -0.04 7.44 7.39 2b6pA1 TRP 34 HZ3 -0.02 -0.03 0.02 -0.04 7.13 7.06 2b6pA1 TRP 34 HH2 -0.02 -0.03 0.01 -0.04 7.19 7.12 2b6pA1 ALA 35 H 0.11 0.04 0.10 -0.55 8.40 8.10 2b6pA1 ALA 35 HA -0.00 0.01 0.31 -0.75 4.34 3.91 2b6pA1 ALA 35 HB3 0.02 0.07 0.11 -0.04 1.41 1.57 2b6pA1 GLY 37 HA2 0.24 0.08 -0.03 -0.51 4.01 3.79 2b6pA1 GLY 37 HA3 0.33 0.07 0.33 -0.51 4.01 4.23 2b6pA1 PRO 38 HA 0.11 0.07 0.42 -0.51 4.44 4.53 2b6pA1 PRO 38 HB2 0.06 -0.26 0.24 -0.04 2.28 2.28 2b6pA1 PRO 38 HB3 0.05 0.06 0.16 -0.04 2.02 2.25 2b6pA1 PRO 38 HG2 0.05 0.03 0.14 -0.04 2.03 2.20 2b6pA1 PRO 38 HG3 0.05 0.06 0.17 -0.04 2.03 2.27 2b6pA1 PRO 38 HD2 0.10 -0.02 0.10 -0.04 3.68 3.82 2b6pA1 PRO 38 HD3 0.09 0.27 0.33 -0.04 3.65 4.30 2b6pA1 LEU 39 H 0.07 0.13 0.03 -0.55 8.37 8.05 2b6pA1 LEU 39 HA 0.04 0.13 0.68 -0.75 4.35 4.44 2b6pA1 LEU 39 HB2 0.04 0.04 0.07 -0.04 1.64 1.75 2b6pA1 LEU 39 HB3 0.04 0.00 0.07 -0.04 1.64 1.71 2b6pA1 LEU 39 HG 0.06 -0.08 0.08 -0.04 1.64 1.66 2b6pA1 LEU 39 HD13 0.08 0.03 -0.17 -0.04 0.93 0.82 2b6pA1 LEU 39 HD23 0.03 0.01 0.00 -0.04 0.89 0.89 2b6pA1 HIS 40 H 0.16 -0.03 -0.46 -0.55 8.41 7.54 2b6pA1 HIS 40 HA 0.02 0.11 0.36 -0.75 4.63 4.37 2b6pA1 HIS 40 HB2 0.04 -0.07 0.02 -0.04 3.26 3.20 2b6pA1 HIS 40 HB3 0.01 -0.11 -0.41 -0.04 3.20 2.65 2b6pA1 HIS 40 HD2 -0.05 -0.10 -0.17 -0.04 6.97 6.60 2b6pA1 HIS 40 HE1 0.05 0.20 -0.10 -0.04 7.75 7.86 2b6pA1 VAL 41 H 0.03 0.93 -0.08 -0.55 8.24 8.56 2b6pA1 VAL 41 HA -0.25 0.04 0.31 -0.75 4.13 3.48 2b6pA1 VAL 41 HB -0.11 0.14 0.09 -0.04 2.12 2.21 2b6pA1 VAL 41 HG13 -0.22 0.01 -0.17 -0.04 0.97 0.54 2b6pA1 VAL 41 HG23 -0.49 -0.04 0.01 -0.04 0.95 0.38 2b6pA1 LEU 42 H -0.02 0.33 -0.17 -0.55 8.37 7.96 2b6pA1 LEU 42 HA -0.01 -0.00 0.36 -0.75 4.35 3.93 2b6pA1 LEU 42 HB2 0.01 0.11 0.20 -0.04 1.64 1.91 2b6pA1 LEU 42 HB3 0.00 0.06 0.03 -0.04 1.64 1.69 2b6pA1 LEU 42 HG 0.01 -0.00 0.05 -0.04 1.64 1.65 2b6pA1 LEU 42 HD13 0.01 -0.01 0.00 -0.04 0.93 0.89 2b6pA1 LEU 42 HD23 -0.00 -0.01 0.00 -0.04 0.89 0.84 2b6pA1 GLN 43 H -0.03 0.54 -0.28 -0.55 8.47 8.15 2b6pA1 GLN 43 HA -0.02 -0.04 0.46 -0.75 4.36 4.01 2b6pA1 GLN 43 HB2 0.00 0.13 0.17 -0.04 2.15 2.41 2b6pA1 GLN 43 HB3 -0.03 0.18 0.11 -0.04 2.02 2.23 2b6pA1 GLN 43 HG2 -0.02 0.03 -0.02 -0.04 2.40 2.35 2b6pA1 GLN 43 HG3 -0.00 -0.10 0.05 -0.04 2.39 2.29 2b6pA1 GLN 43 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.90 2b6pA1 GLN 43 HE22 0.01 -0.06 -0.00 -0.04 7.69 7.60 2b6pA1 VAL 44 H -0.14 0.65 -0.00 -0.55 8.24 8.20 2b6pA1 VAL 44 HA -0.05 0.08 0.49 -0.75 4.13 3.89 2b6pA1 VAL 44 HB -0.20 0.01 0.08 -0.04 2.12 1.97 2b6pA1 VAL 44 HG13 0.24 -0.01 -0.12 -0.04 0.97 1.04 2b6pA1 VAL 44 HG23 -0.22 0.05 -0.04 -0.04 0.95 0.70 2b6pA1 ALA 45 H -0.04 0.79 -0.12 -0.55 8.40 8.48 2b6pA1 ALA 45 HA -0.08 0.00 0.40 -0.75 4.34 3.91 2b6pA1 ALA 45 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 2b6pA1 LEU 46 H -0.01 0.54 -0.21 -0.55 8.37 8.15 2b6pA1 LEU 46 HA 0.07 -0.05 0.45 -0.75 4.35 4.07 2b6pA1 LEU 46 HB2 0.00 0.18 0.19 -0.04 1.64 1.97 2b6pA1 LEU 46 HB3 0.03 -0.07 -0.02 -0.04 1.64 1.53 2b6pA1 LEU 46 HG 0.03 0.08 0.07 -0.04 1.64 1.78 2b6pA1 LEU 46 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.86 2b6pA1 LEU 46 HD23 0.15 -0.03 -0.00 -0.04 0.89 0.96 2b6pA1 ALA 47 H -0.05 0.63 -0.14 -0.55 8.40 8.29 2b6pA1 ALA 47 HA -0.10 -0.04 0.38 -0.75 4.34 3.82 2b6pA1 ALA 47 HB3 -0.17 0.06 0.11 -0.04 1.41 1.37 2b6pA1 PHE 48 H -0.06 0.66 -0.12 -0.55 8.34 8.27 2b6pA1 PHE 48 HA -0.28 0.02 0.42 -0.75 4.62 4.03 2b6pA1 PHE 48 HB2 -0.67 0.13 0.11 -0.04 3.15 2.68 2b6pA1 PHE 48 HB3 -0.41 -0.08 -0.08 -0.04 3.06 2.45 2b6pA1 PHE 48 HD2 -0.45 0.09 0.02 -0.04 7.28 6.90 2b6pA1 PHE 48 HE2 -0.13 0.00 -0.03 -0.04 7.38 7.18 2b6pA1 PHE 48 HZ -0.05 0.06 -0.18 -0.04 7.32 7.11 2b6pA1 GLY 49 H -0.02 0.59 -0.17 -0.55 8.43 8.28 2b6pA1 GLY 49 HA2 0.06 0.03 0.48 -0.51 4.01 4.08 2b6pA1 GLY 49 HA3 0.07 0.07 0.30 -0.51 4.01 3.94 2b6pA1 LEU 50 H -0.02 0.93 -0.07 -0.55 8.37 8.66 2b6pA1 LEU 50 HA -0.10 -0.07 0.47 -0.75 4.35 3.90 2b6pA1 LEU 50 HB2 -0.07 0.16 0.07 -0.04 1.64 1.76 2b6pA1 LEU 50 HB3 -0.08 -0.09 0.02 -0.04 1.64 1.45 2b6pA1 LEU 50 HG 0.02 0.20 0.06 -0.04 1.64 1.88 2b6pA1 LEU 50 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.82 2b6pA1 LEU 50 HD23 -0.10 -0.04 -0.08 -0.04 0.89 0.63 2b6pA1 ALA 51 H -0.07 0.64 -0.26 -0.55 8.40 8.16 2b6pA1 ALA 51 HA -0.11 -0.02 0.45 -0.75 4.34 3.91 2b6pA1 ALA 51 HB3 -0.10 0.04 0.11 -0.04 1.41 1.42 2b6pA1 LEU 52 H 0.11 0.69 -0.09 -0.55 8.37 8.54 2b6pA1 LEU 52 HA 0.28 -0.00 0.43 -0.75 4.35 4.30 2b6pA1 LEU 52 HB2 0.43 0.07 0.09 -0.04 1.64 2.19 2b6pA1 LEU 52 HB3 0.19 0.09 0.20 -0.04 1.64 2.08 2b6pA1 LEU 52 HG 0.22 -0.04 -0.25 -0.04 1.64 1.53 2b6pA1 LEU 52 HD13 0.19 -0.01 -0.06 -0.04 0.93 1.00 2b6pA1 LEU 52 HD23 0.46 0.01 -0.11 -0.04 0.89 1.21 2b6pA1 ALA 53 H 0.02 0.72 0.07 -0.55 8.40 8.67 2b6pA1 ALA 53 HA 0.01 0.11 0.28 -0.75 4.34 3.99 2b6pA1 ALA 53 HB3 -0.12 -0.02 -0.02 -0.04 1.41 1.20 2b6pA1 THR 54 H -0.02 0.53 -0.49 -0.55 8.28 7.75 2b6pA1 THR 54 HA -0.05 -0.02 0.43 -0.75 4.39 4.00 2b6pA1 THR 54 HB -0.07 0.18 0.19 -0.04 4.32 4.58 2b6pA1 THR 54 HG23 -0.12 -0.04 -0.10 -0.04 1.22 0.92 2b6pA1 LEU 55 H 0.06 0.68 -0.02 -0.55 8.37 8.54 2b6pA1 LEU 55 HA 0.08 -0.03 0.46 -0.75 4.35 4.11 2b6pA1 LEU 55 HB2 0.17 0.12 0.14 -0.04 1.64 2.03 2b6pA1 LEU 55 HB3 0.16 -0.15 0.03 -0.04 1.64 1.64 2b6pA1 LEU 55 HG 0.11 0.20 0.14 -0.04 1.64 2.05 2b6pA1 LEU 55 HD13 0.34 0.02 -0.06 -0.04 0.93 1.19 2b6pA1 LEU 55 HD23 0.24 -0.05 0.01 -0.04 0.89 1.05 2b6pA1 VAL 56 H 0.08 0.87 -0.13 -0.55 8.24 8.51 2b6pA1 VAL 56 HA 0.10 -0.01 0.38 -0.75 4.13 3.84 2b6pA1 VAL 56 HB 0.07 0.04 0.08 -0.04 2.12 2.27 2b6pA1 VAL 56 HG13 0.09 -0.01 -0.13 -0.04 0.97 0.87 2b6pA1 VAL 56 HG23 0.17 0.07 -0.03 -0.04 0.95 1.11 2b6pA1 GLN 57 H 0.02 0.44 -0.36 -0.55 8.47 8.02 2b6pA1 GLN 57 HA -0.04 -0.00 0.54 -0.75 4.36 4.10 2b6pA1 GLN 57 HB2 -0.03 0.22 0.23 -0.04 2.15 2.53 2b6pA1 GLN 57 HB3 -0.05 -0.05 0.02 -0.04 2.02 1.90 2b6pA1 GLN 57 HG2 -0.03 0.14 0.09 -0.04 2.40 2.55 2b6pA1 GLN 57 HG3 -0.05 -0.02 0.03 -0.04 2.39 2.30 2b6pA1 GLN 57 HE21 -0.05 -0.02 0.02 -0.04 6.97 6.88 2b6pA1 GLN 57 HE22 -0.05 0.03 0.01 -0.04 7.69 7.64 2b6pA1 ALA 58 H 0.03 0.56 -0.01 -0.55 8.40 8.43 2b6pA1 ALA 58 HA 0.05 0.03 0.40 -0.75 4.34 4.07 2b6pA1 ALA 58 HB3 0.05 0.00 0.10 -0.04 1.41 1.52 2b6pA1 VAL 59 H 0.11 0.68 -0.07 -0.55 8.24 8.41 2b6pA1 VAL 59 HA 0.09 0.23 0.93 -0.75 4.13 4.63 2b6pA1 VAL 59 HB 0.00 -0.13 0.15 -0.04 2.12 2.10 2b6pA1 VAL 59 HG13 0.10 0.03 -0.17 -0.04 0.97 0.89 2b6pA1 VAL 59 HG23 0.06 0.05 -0.14 -0.04 0.95 0.88 2b6pA1 GLY 60 H 0.15 0.48 -0.21 -0.55 8.43 8.30 2b6pA1 GLY 60 HA2 0.06 -0.09 0.28 -0.51 4.01 3.75 2b6pA1 GLY 60 HA3 0.03 0.36 0.34 -0.51 4.01 4.23 2b6pA1 HIS 61 H 0.53 0.20 -0.20 -0.55 8.41 8.40 2b6pA1 HIS 61 HA -0.08 0.18 0.52 -0.75 4.63 4.50 2b6pA1 HIS 61 HB2 -0.04 0.02 0.07 -0.04 3.26 3.28 2b6pA1 HIS 61 HB3 -0.05 0.03 0.06 -0.04 3.20 3.20 2b6pA1 HIS 61 HD2 -0.02 -0.02 -0.04 -0.04 6.97 6.84 2b6pA1 HIS 61 HE1 -0.01 0.39 0.04 -0.04 7.75 8.13 2b6pA1 ILE 62 H -0.14 0.08 -0.57 -0.55 8.25 7.07 2b6pA1 ILE 62 HA -0.20 0.23 0.82 -0.75 4.18 4.27 2b6pA1 ILE 62 HB -0.17 0.03 0.09 -0.04 1.89 1.80 2b6pA1 ILE 62 HG12 -0.43 0.03 -0.09 -0.04 1.49 0.97 2b6pA1 ILE 62 HG13 -1.16 -0.06 -0.12 -0.04 1.21 -0.17 2b6pA1 ILE 62 HG23 -0.11 -0.02 -0.17 -0.04 0.93 0.59 2b6pA1 ILE 62 HD13 -0.16 0.01 0.02 -0.04 0.88 0.71 2b6pA1 SER 63 H -0.07 0.26 0.13 -0.55 8.46 8.24 2b6pA1 SER 63 HA -0.05 0.25 0.81 -0.75 4.49 4.74 2b6pA1 SER 63 HB2 -0.32 -0.01 0.13 -0.04 3.95 3.71 2b6pA1 SER 63 HB3 -0.18 -0.04 -0.04 -0.04 3.93 3.63 2b6pA1 GLY 64 H -0.02 0.18 0.10 -0.55 8.43 8.15 2b6pA1 GLY 64 HA2 -0.01 0.23 0.40 -0.51 4.01 4.12 2b6pA1 GLY 64 HA3 0.14 0.14 0.66 -0.51 4.01 4.45 2b6pA1 ALA 65 H 0.03 -0.02 -0.34 -0.55 8.40 7.52 2b6pA1 ALA 65 HA 0.06 -0.09 0.12 -0.75 4.34 3.68 2b6pA1 ALA 65 HB3 0.14 0.04 -0.21 -0.04 1.41 1.33 2b6pA1 HIS 66 H 0.14 -0.00 -0.14 -0.55 8.41 7.86 2b6pA1 HIS 66 HA 0.15 0.25 0.52 -0.75 4.63 4.80 2b6pA1 HIS 66 HB2 0.12 -0.11 0.04 -0.04 3.26 3.27 2b6pA1 HIS 66 HB3 0.17 -0.06 -0.07 -0.04 3.20 3.19 2b6pA1 HIS 66 HD2 0.17 0.02 -0.89 -0.04 6.97 6.22 2b6pA1 HIS 66 HE1 -0.26 0.01 -0.08 -0.04 7.75 7.38 2b6pA1 VAL 67 H 0.03 0.02 -0.02 -0.55 8.24 7.73 2b6pA1 VAL 67 HA -0.05 0.04 0.23 -0.75 4.13 3.60 2b6pA1 VAL 67 HB -0.14 0.20 -0.30 -0.04 2.12 1.84 2b6pA1 VAL 67 HG13 -0.23 0.01 -0.03 -0.04 0.97 0.68 2b6pA1 VAL 67 HG23 0.02 -0.03 -0.27 -0.04 0.95 0.63 2b6pA1 ASN 68 H 0.10 -0.03 -0.80 -0.55 8.53 7.25 2b6pA1 ASN 68 HA -0.04 0.08 0.65 -0.75 4.76 4.69 2b6pA1 ASN 68 HB2 -0.02 0.29 -0.21 -0.04 2.88 2.90 2b6pA1 ASN 68 HB3 0.06 0.01 0.06 -0.04 2.79 2.88 2b6pA1 ASN 68 HD21 0.10 0.69 0.41 -0.04 7.03 8.18 2b6pA1 ASN 68 HD22 0.22 0.08 0.06 -0.04 7.74 8.06 2b6pA1 PRO 69 HA 0.12 0.09 0.41 -0.51 4.44 4.55 2b6pA1 PRO 69 HB2 -0.18 -0.00 0.14 -0.04 2.28 2.19 2b6pA1 PRO 69 HB3 0.08 0.11 0.09 -0.04 2.02 2.26 2b6pA1 PRO 69 HG2 -0.13 0.05 0.09 -0.04 2.03 1.99 2b6pA1 PRO 69 HG3 0.04 0.12 0.09 -0.04 2.03 2.23 2b6pA1 PRO 69 HD2 -0.13 -0.08 0.23 -0.04 3.68 3.67 2b6pA1 PRO 69 HD3 -0.03 0.26 0.05 -0.04 3.65 3.89 2b6pA1 ALA 70 H -0.07 0.12 -0.12 -0.55 8.40 7.78 2b6pA1 ALA 70 HA 0.04 0.07 0.34 -0.75 4.34 4.04 2b6pA1 ALA 70 HB3 -0.05 0.07 -0.11 -0.04 1.41 1.28 2b6pA1 VAL 71 H 0.04 0.12 -0.34 -0.55 8.24 7.51 2b6pA1 VAL 71 HA -0.13 0.09 0.47 -0.75 4.13 3.81 2b6pA1 VAL 71 HB 0.04 0.07 0.12 -0.04 2.12 2.31 2b6pA1 VAL 71 HG13 -0.21 0.02 -0.09 -0.04 0.97 0.65 2b6pA1 VAL 71 HG23 -0.06 0.01 0.02 -0.04 0.95 0.89 2b6pA1 THR 72 H 0.17 0.53 -0.06 -0.55 8.28 8.37 2b6pA1 THR 72 HA 0.47 0.08 0.38 -0.75 4.39 4.57 2b6pA1 THR 72 HB 0.25 0.06 0.13 -0.04 4.32 4.71 2b6pA1 THR 72 HG23 0.20 0.03 -0.11 -0.04 1.22 1.30 2b6pA1 PHE 73 H 0.25 0.72 -0.10 -0.55 8.34 8.66 2b6pA1 PHE 73 HA 0.06 -0.02 0.38 -0.75 4.62 4.28 2b6pA1 PHE 73 HB2 0.05 -0.04 0.07 -0.04 3.15 3.19 2b6pA1 PHE 73 HB3 -0.00 0.13 0.15 -0.04 3.06 3.30 2b6pA1 PHE 73 HD2 -0.00 0.03 -0.06 -0.04 7.28 7.20 2b6pA1 PHE 73 HE2 -0.01 0.02 -0.01 -0.04 7.38 7.34 2b6pA1 PHE 73 HZ -0.00 0.01 -0.02 -0.04 7.32 7.26 2b6pA1 ALA 74 H 0.07 0.45 -0.34 -0.55 8.40 8.03 2b6pA1 ALA 74 HA -0.24 0.01 0.29 -0.75 4.34 3.64 2b6pA1 ALA 74 HB3 -0.30 0.06 0.14 -0.04 1.41 1.26 2b6pA1 PHE 75 H 0.04 0.41 -0.29 -0.55 8.34 7.95 2b6pA1 PHE 75 HA 0.04 0.10 0.40 -0.75 4.62 4.41 2b6pA1 PHE 75 HB2 -0.01 0.06 0.10 -0.04 3.15 3.25 2b6pA1 PHE 75 HB3 -0.03 -0.07 -0.07 -0.04 3.06 2.85 2b6pA1 PHE 75 HD2 -0.58 -0.04 -0.09 -0.04 7.28 6.54 2b6pA1 PHE 75 HE2 -0.70 0.02 -0.09 -0.04 7.38 6.57 2b6pA1 PHE 75 HZ -0.74 0.04 -0.12 -0.04 7.32 6.46 2b6pA1 LEU 76 H -0.01 0.38 -0.38 -0.55 8.37 7.81 2b6pA1 LEU 76 HA -0.00 0.06 0.54 -0.75 4.35 4.19 2b6pA1 LEU 76 HB2 0.01 -0.01 0.07 -0.04 1.64 1.67 2b6pA1 LEU 76 HB3 -0.19 0.11 0.24 -0.04 1.64 1.75 2b6pA1 LEU 76 HG -0.05 0.02 -0.18 -0.04 1.64 1.39 2b6pA1 LEU 76 HD13 0.00 0.01 -0.12 -0.04 0.93 0.78 2b6pA1 LEU 76 HD23 0.07 -0.02 -0.01 -0.04 0.89 0.88 2b6pA1 VAL 77 H -0.41 0.56 0.10 -0.55 8.24 7.93 2b6pA1 VAL 77 HA -0.14 0.02 0.38 -0.75 4.13 3.63 2b6pA1 VAL 77 HB -0.20 -0.03 0.11 -0.04 2.12 1.97 2b6pA1 VAL 77 HG13 -0.77 0.01 0.06 -0.04 0.97 0.24 2b6pA1 VAL 77 HG23 -0.34 0.04 -0.08 -0.04 0.95 0.53 2b6pA1 GLY 78 H -0.04 0.05 -1.07 -0.55 8.43 6.83 2b6pA1 GLY 78 HA2 -0.06 0.10 0.61 -0.51 4.01 4.14 2b6pA1 GLY 78 HA3 0.13 0.03 0.24 -0.51 4.01 3.89 2b6pA1 SER 79 H -0.02 0.62 -0.37 -0.55 8.46 8.15 2b6pA1 SER 79 HA -0.00 0.04 0.39 -0.75 4.49 4.17 2b6pA1 SER 79 HB2 0.02 0.18 0.01 -0.04 3.95 4.11 2b6pA1 SER 79 HB3 0.01 -0.07 0.19 -0.04 3.93 4.02 2b6pA1 GLN 80 H 0.03 0.56 0.12 -0.55 8.47 8.64 2b6pA1 GLN 80 HA -0.03 0.21 0.95 -0.75 4.36 4.74 2b6pA1 GLN 80 HB2 0.05 -0.02 0.02 -0.04 2.15 2.15 2b6pA1 GLN 80 HB3 -0.09 -0.06 0.12 -0.04 2.02 1.94 2b6pA1 GLN 80 HG2 -0.03 0.10 -0.16 -0.04 2.40 2.27 2b6pA1 GLN 80 HG3 0.01 0.04 -0.25 -0.04 2.39 2.15 2b6pA1 GLN 80 HE21 -0.28 -0.03 -0.03 -0.04 6.97 6.59 2b6pA1 GLN 80 HE22 -0.20 0.06 -0.02 -0.04 7.69 7.49 2b6pA1 MET 81 H -0.01 0.25 0.10 -0.55 8.47 8.26 2b6pA1 MET 81 HA -0.08 0.13 0.60 -0.75 4.52 4.43 2b6pA1 MET 81 HB2 -0.19 -0.13 0.08 -0.04 2.15 1.87 2b6pA1 MET 81 HB3 -0.13 0.13 -0.20 -0.04 2.03 1.79 2b6pA1 MET 81 HG2 0.02 0.05 -0.35 -0.04 2.63 2.31 2b6pA1 MET 81 HG3 -0.05 0.01 -0.27 -0.04 2.56 2.21 2b6pA1 MET 81 HE3 -0.60 -0.03 -0.17 -0.04 2.10 1.26 2b6pA1 SER 82 H -0.06 0.05 0.16 -0.55 8.46 8.06 2b6pA1 SER 82 HA -0.01 0.30 0.74 -0.75 4.49 4.77 2b6pA1 SER 82 HB2 0.01 0.01 -0.10 -0.04 3.95 3.83 2b6pA1 SER 82 HB3 -0.00 0.20 0.11 -0.04 3.93 4.20 2b6pA1 LEU 83 H 0.01 0.45 0.19 -0.55 8.37 8.48 2b6pA1 LEU 83 HA 0.02 0.05 0.44 -0.75 4.35 4.11 2b6pA1 LEU 83 HB2 0.03 0.07 0.23 -0.04 1.64 1.93 2b6pA1 LEU 83 HB3 0.03 0.14 0.19 -0.04 1.64 1.95 2b6pA1 LEU 83 HG 0.04 -0.05 -0.11 -0.04 1.64 1.48 2b6pA1 LEU 83 HD13 0.05 -0.02 0.09 -0.04 0.93 1.01 2b6pA1 LEU 83 HD23 0.04 0.01 0.03 -0.04 0.89 0.93 2b6pA1 LEU 84 H 0.03 0.11 -0.34 -0.55 8.37 7.62 2b6pA1 LEU 84 HA 0.06 0.11 0.44 -0.75 4.35 4.21 2b6pA1 LEU 84 HB2 0.08 0.09 0.03 -0.04 1.64 1.80 2b6pA1 LEU 84 HB3 0.05 -0.03 0.02 -0.04 1.64 1.64 2b6pA1 LEU 84 HG 0.02 -0.04 -0.32 -0.04 1.64 1.26 2b6pA1 LEU 84 HD13 0.13 0.00 0.02 -0.04 0.93 1.04 2b6pA1 LEU 84 HD23 0.19 0.02 -0.03 -0.04 0.89 1.04 2b6pA1 ARG 85 H -0.00 0.11 -0.15 -0.55 8.46 7.86 2b6pA1 ARG 85 HA 0.00 0.07 0.42 -0.75 4.34 4.07 2b6pA1 ARG 85 HB2 -0.05 -0.04 0.16 -0.04 1.90 1.93 2b6pA1 ARG 85 HB3 -0.32 0.07 0.05 -0.04 1.80 1.56 2b6pA1 ARG 85 HG2 -0.80 -0.05 0.01 -0.04 1.67 0.78 2b6pA1 ARG 85 HG3 -0.11 0.01 0.07 -0.04 1.67 1.60 2b6pA1 ARG 85 HD2 -0.21 -0.03 0.08 -0.04 3.22 3.03 2b6pA1 ARG 85 HD3 -0.67 0.04 0.00 -0.04 3.22 2.55 2b6pA1 ALA 86 H -0.09 0.58 -0.18 -0.55 8.40 8.16 2b6pA1 ALA 86 HA -0.07 0.00 0.27 -0.75 4.34 3.79 2b6pA1 ALA 86 HB3 0.04 0.05 -0.01 -0.04 1.41 1.44 2b6pA1 ILE 87 H 0.04 0.47 -0.23 -0.55 8.25 7.98 2b6pA1 ILE 87 HA 0.09 -0.01 0.38 -0.75 4.18 3.89 2b6pA1 ILE 87 HB 0.06 0.11 0.11 -0.04 1.89 2.13 2b6pA1 ILE 87 HG12 0.08 -0.08 0.04 -0.04 1.49 1.48 2b6pA1 ILE 87 HG13 0.06 0.26 0.18 -0.04 1.21 1.66 2b6pA1 ILE 87 HG23 0.07 -0.02 -0.05 -0.04 0.93 0.89 2b6pA1 ILE 87 HD13 0.06 -0.02 0.01 -0.04 0.88 0.89 2b6pA1 CYS 88 H 0.04 0.52 -0.18 -0.55 8.50 8.33 2b6pA1 CYS 88 HA 0.05 0.01 0.46 -0.75 4.58 4.35 2b6pA1 CYS 88 HB2 -0.05 0.10 0.19 -0.04 2.97 3.17 2b6pA1 CYS 88 HB3 -0.12 -0.07 0.05 -0.04 2.97 2.79 2b6pA1 TYR 89 H 0.16 0.83 -0.13 -0.55 8.29 8.61 2b6pA1 TYR 89 HA -0.10 -0.01 0.42 -0.75 4.56 4.11 2b6pA1 TYR 89 HB2 -0.03 0.21 0.18 -0.04 3.06 3.38 2b6pA1 TYR 89 HB3 -0.01 -0.13 -0.07 -0.04 2.98 2.73 2b6pA1 TYR 89 HD2 -0.29 -0.06 -0.05 -0.04 7.15 6.71 2b6pA1 TYR 89 HE2 -0.78 0.09 -0.04 -0.04 6.85 6.08 2b6pA1 MET 90 H 0.16 0.72 -0.02 -0.55 8.47 8.78 2b6pA1 MET 90 HA 0.11 -0.08 0.40 -0.75 4.52 4.20 2b6pA1 MET 90 HB2 0.12 0.14 0.12 -0.04 2.15 2.49 2b6pA1 MET 90 HB3 0.15 -0.07 0.04 -0.04 2.03 2.10 2b6pA1 MET 90 HG2 0.16 -0.17 0.05 -0.04 2.63 2.63 2b6pA1 MET 90 HG3 0.16 0.36 0.07 -0.04 2.56 3.11 2b6pA1 MET 90 HE3 0.22 -0.02 -0.02 -0.04 2.10 2.25 2b6pA1 VAL 91 H 0.09 0.59 -0.24 -0.55 8.24 8.14 2b6pA1 VAL 91 HA 0.08 0.00 0.47 -0.75 4.13 3.93 2b6pA1 VAL 91 HB 0.07 0.12 0.22 -0.04 2.12 2.49 2b6pA1 VAL 91 HG13 0.07 -0.02 -0.10 -0.04 0.97 0.89 2b6pA1 VAL 91 HG23 0.07 0.06 0.04 -0.04 0.95 1.08 2b6pA1 ALA 92 H 0.06 0.70 -0.06 -0.55 8.40 8.54 2b6pA1 ALA 92 HA 0.16 0.00 0.40 -0.75 4.34 4.15 2b6pA1 ALA 92 HB3 0.00 0.02 0.11 -0.04 1.41 1.49 2b6pA1 GLN 93 H 0.04 0.58 -0.23 -0.55 8.47 8.31 2b6pA1 GLN 93 HA -0.02 0.12 0.43 -0.75 4.36 4.14 2b6pA1 GLN 93 HB2 0.05 0.04 0.09 -0.04 2.15 2.29 2b6pA1 GLN 93 HB3 0.01 -0.07 -0.11 -0.04 2.02 1.82 2b6pA1 GLN 93 HG2 -0.03 -0.11 -0.08 -0.04 2.40 2.14 2b6pA1 GLN 93 HG3 -0.04 0.17 -0.01 -0.04 2.39 2.47 2b6pA1 GLN 93 HE21 0.27 0.04 -0.26 -0.04 6.97 6.98 2b6pA1 GLN 93 HE22 0.01 -0.05 -0.11 -0.04 7.69 7.50 2b6pA1 LEU 94 H 0.09 0.64 -0.12 -0.55 8.37 8.43 2b6pA1 LEU 94 HA 0.17 -0.01 0.53 -0.75 4.35 4.28 2b6pA1 LEU 94 HB2 0.10 0.13 0.22 -0.04 1.64 2.05 2b6pA1 LEU 94 HB3 0.12 -0.03 0.01 -0.04 1.64 1.70 2b6pA1 LEU 94 HG 0.11 0.10 0.11 -0.04 1.64 1.91 2b6pA1 LEU 94 HD13 0.03 -0.01 -0.03 -0.04 0.93 0.88 2b6pA1 LEU 94 HD23 0.03 -0.03 0.01 -0.04 0.89 0.85 2b6pA1 LEU 95 H 0.15 0.62 -0.02 -0.55 8.37 8.56 2b6pA1 LEU 95 HA 0.18 0.04 0.49 -0.75 4.35 4.31 2b6pA1 LEU 95 HB2 0.24 0.12 0.14 -0.04 1.64 2.10 2b6pA1 LEU 95 HB3 0.32 -0.02 -0.01 -0.04 1.64 1.89 2b6pA1 LEU 95 HG 0.13 -0.02 0.03 -0.04 1.64 1.74 2b6pA1 LEU 95 HD13 0.13 0.04 -0.01 -0.04 0.93 1.05 2b6pA1 LEU 95 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.87 2b6pA1 GLY 96 H 0.05 0.50 -0.25 -0.55 8.43 8.18 2b6pA1 GLY 96 HA2 -0.99 -0.02 0.42 -0.51 4.01 2.91 2b6pA1 GLY 96 HA3 -0.43 0.15 0.40 -0.51 4.01 3.62 2b6pA1 ALA 97 H 0.02 0.59 -0.20 -0.55 8.40 8.27 2b6pA1 ALA 97 HA 0.06 0.12 0.33 -0.75 4.34 4.10 2b6pA1 ALA 97 HB3 0.14 0.00 0.09 -0.04 1.41 1.61 2b6pA1 VAL 98 H 0.14 0.52 -0.06 -0.55 8.24 8.28 2b6pA1 VAL 98 HA 0.05 0.02 0.37 -0.75 4.13 3.82 2b6pA1 VAL 98 HB 0.13 0.06 0.16 -0.04 2.12 2.43 2b6pA1 VAL 98 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.87 2b6pA1 VAL 98 HG23 0.22 0.06 0.08 -0.04 0.95 1.27 2b6pA1 ALA 99 H 0.01 0.60 -0.28 -0.55 8.40 8.20 2b6pA1 ALA 99 HA 0.04 -0.01 0.46 -0.75 4.34 4.07 2b6pA1 ALA 99 HB3 -0.03 0.02 0.12 -0.04 1.41 1.48 2b6pA1 GLY 100 H -0.04 0.61 0.05 -0.55 8.43 8.49 2b6pA1 GLY 100 HA2 0.08 -0.05 0.44 -0.51 4.01 3.97 2b6pA1 GLY 100 HA3 0.09 0.17 0.48 -0.51 4.01 4.24 2b6pA1 ALA 101 H 0.06 0.68 -0.15 -0.55 8.40 8.45 2b6pA1 ALA 101 HA 0.05 0.06 0.36 -0.75 4.34 4.05 2b6pA1 ALA 101 HB3 0.03 0.02 -0.03 -0.04 1.41 1.40 2b6pA1 ALA 102 H 0.05 0.50 -0.23 -0.55 8.40 8.18 2b6pA1 ALA 102 HA 0.03 0.01 0.43 -0.75 4.34 4.06 2b6pA1 ALA 102 HB3 0.03 0.02 0.17 -0.04 1.41 1.58 2b6pA1 VAL 103 H 0.09 0.88 0.14 -0.55 8.24 8.80 2b6pA1 VAL 103 HA 0.10 -0.04 0.37 -0.75 4.13 3.81 2b6pA1 VAL 103 HB 0.09 0.09 0.08 -0.04 2.12 2.35 2b6pA1 VAL 103 HG13 -0.03 -0.02 -0.05 -0.04 0.97 0.83 2b6pA1 VAL 103 HG23 0.01 0.05 0.04 -0.04 0.95 1.01 2b6pA1 LEU 104 H 0.23 0.44 -0.53 -0.55 8.37 7.96 2b6pA1 LEU 104 HA 0.11 -0.02 0.41 -0.75 4.35 4.09 2b6pA1 LEU 104 HB2 0.00 0.19 0.19 -0.04 1.64 1.98 2b6pA1 LEU 104 HB3 0.02 0.16 0.16 -0.04 1.64 1.94 2b6pA1 LEU 104 HG -0.43 0.07 0.08 -0.04 1.64 1.32 2b6pA1 LEU 104 HD13 -0.09 -0.00 -0.17 -0.04 0.93 0.62 2b6pA1 LEU 104 HD23 -0.46 -0.03 0.03 -0.04 0.89 0.38 2b6pA1 TYR 105 H 0.19 0.58 -0.03 -0.55 8.29 8.48 2b6pA1 TYR 105 HA -0.02 -0.01 0.41 -0.75 4.56 4.19 2b6pA1 TYR 105 HB2 -0.01 0.03 0.15 -0.04 3.06 3.19 2b6pA1 TYR 105 HB3 0.01 0.14 0.26 -0.04 2.98 3.35 2b6pA1 TYR 105 HD2 -0.00 0.03 -0.19 -0.04 7.15 6.95 2b6pA1 TYR 105 HE2 -0.00 -0.04 -0.04 -0.04 6.85 6.73 2b6pA1 SER 106 H 0.23 0.53 -0.15 -0.55 8.46 8.53 2b6pA1 SER 106 HA 0.16 -0.01 0.35 -0.75 4.49 4.24 2b6pA1 SER 106 HB2 0.10 -0.10 0.07 -0.04 3.95 3.97 2b6pA1 SER 106 HB3 0.15 0.00 0.07 -0.04 3.93 4.11 2b6pA1 VAL 107 H 0.08 0.39 -0.37 -0.55 8.24 7.78 2b6pA1 VAL 107 HA 0.02 0.12 0.92 -0.75 4.13 4.44 2b6pA1 VAL 107 HB 0.11 0.07 0.05 -0.04 2.12 2.32 2b6pA1 VAL 107 HG13 0.05 -0.04 0.11 -0.04 0.97 1.04 2b6pA1 VAL 107 HG23 0.09 0.04 -0.03 -0.04 0.95 1.00 2b6pA1 THR 108 H -0.07 0.38 -0.17 -0.55 8.28 7.87 2b6pA1 THR 108 HA -0.06 0.13 0.93 -0.75 4.39 4.63 2b6pA1 THR 108 HB -0.10 -0.02 0.02 -0.04 4.32 4.17 2b6pA1 THR 108 HG23 -0.14 0.04 0.08 -0.04 1.22 1.16 2b6pA1 PRO 109 HA -0.09 0.09 0.50 -0.51 4.44 4.43 2b6pA1 PRO 109 HB2 -0.06 0.02 0.11 -0.04 2.28 2.31 2b6pA1 PRO 109 HB3 -0.05 -0.03 0.13 -0.04 2.02 2.03 2b6pA1 PRO 109 HG2 -0.04 -0.02 0.11 -0.04 2.03 2.04 2b6pA1 PRO 109 HG3 -0.04 0.05 0.09 -0.04 2.03 2.08 2b6pA1 PRO 109 HD2 -0.06 0.05 0.22 -0.04 3.68 3.84 2b6pA1 PRO 109 HD3 -0.05 0.24 0.32 -0.04 3.65 4.12 2b6pA1 PRO 110 HA -0.13 0.08 0.47 -0.51 4.44 4.35 2b6pA1 PRO 110 HB2 -0.06 -0.01 0.07 -0.04 2.28 2.24 2b6pA1 PRO 110 HB3 -0.07 0.01 0.19 -0.04 2.02 2.10 2b6pA1 PRO 110 HG2 -0.07 0.01 0.10 -0.04 2.03 2.03 2b6pA1 PRO 110 HG3 -0.16 0.14 0.11 -0.04 2.03 2.09 2b6pA1 PRO 110 HD2 -0.07 0.04 0.20 -0.04 3.68 3.81 2b6pA1 PRO 110 HD3 -0.11 0.25 0.25 -0.04 3.65 4.01 2b6pA1 ALA 111 H -0.06 0.17 0.13 -0.55 8.40 8.10 2b6pA1 ALA 111 HA -0.07 0.01 0.41 -0.75 4.34 3.94 2b6pA1 ALA 111 HB3 -0.06 0.08 -0.00 -0.04 1.41 1.39 2b6pA1 VAL 112 H -0.07 1.00 -0.81 -0.55 8.24 7.81 2b6pA1 VAL 112 HA -0.05 0.06 0.63 -0.75 4.13 4.02 2b6pA1 VAL 112 HB -0.06 0.32 0.08 -0.04 2.12 2.42 2b6pA1 VAL 112 HG13 -0.04 -0.01 -0.09 -0.04 0.97 0.78 2b6pA1 VAL 112 HG23 -0.05 -0.03 -0.01 -0.04 0.95 0.83 2b6pA1 ARG 113 H -0.08 0.01 -0.19 -0.55 8.46 7.65 2b6pA1 ARG 113 HA -0.06 0.13 0.30 -0.75 4.34 3.96 2b6pA1 ARG 113 HB2 -0.08 -0.19 0.05 -0.04 1.90 1.64 2b6pA1 ARG 113 HB3 -0.04 0.04 -0.09 -0.04 1.80 1.67 2b6pA1 ARG 113 HG2 -0.20 0.04 -0.07 -0.04 1.67 1.40 2b6pA1 ARG 113 HG3 -0.18 0.22 -0.30 -0.04 1.67 1.37 2b6pA1 ARG 113 HD2 -0.28 -0.19 -0.00 -0.04 3.22 2.70 2b6pA1 ARG 113 HD3 -0.65 -0.03 -0.02 -0.04 3.22 2.48 2b6pA1 GLY 114 H -0.03 -0.00 -0.41 -0.55 8.43 7.44 2b6pA1 GLY 114 HA2 0.00 0.02 0.25 -0.51 4.01 3.77 2b6pA1 GLY 114 HA3 0.03 0.05 0.35 -0.51 4.01 3.93 2b6pA1 ASN 115 H 0.05 0.12 0.18 -0.55 8.53 8.33 2b6pA1 ASN 115 HA 0.02 0.23 0.82 -0.75 4.76 5.07 2b6pA1 ASN 115 HB2 0.00 0.05 0.18 -0.04 2.88 3.07 2b6pA1 ASN 115 HB3 0.03 -0.01 0.03 -0.04 2.79 2.80 2b6pA1 ASN 115 HD21 0.06 0.09 -0.01 -0.04 7.03 7.13 2b6pA1 ASN 115 HD22 0.06 -0.03 0.00 -0.04 7.74 7.73 2b6pA1 LEU 116 H 0.03 0.70 -0.15 -0.55 8.37 8.40 2b6pA1 LEU 116 HA 0.01 0.13 0.29 -0.75 4.35 4.03 2b6pA1 LEU 116 HB2 0.01 0.11 -0.21 -0.04 1.64 1.51 2b6pA1 LEU 116 HB3 0.02 -0.03 0.16 -0.04 1.64 1.75 2b6pA1 LEU 116 HG 0.10 -0.01 -0.17 -0.04 1.64 1.52 2b6pA1 LEU 116 HD13 0.11 -0.01 -0.08 -0.04 0.93 0.91 2b6pA1 LEU 116 HD23 0.05 0.02 -0.02 -0.04 0.89 0.90 2b6pA1 ALA 117 H 0.04 -0.01 -0.18 -0.55 8.40 7.71 2b6pA1 ALA 117 HA 0.06 0.02 0.19 -0.75 4.34 3.85 2b6pA1 ALA 117 HB3 0.07 0.05 -0.04 -0.04 1.41 1.45 2b6pA1 LEU 118 H 0.01 0.01 -0.33 -0.55 8.37 7.50 2b6pA1 LEU 118 HA -0.06 0.04 0.42 -0.75 4.35 3.99 2b6pA1 LEU 118 HB2 -0.05 0.26 0.07 -0.04 1.64 1.88 2b6pA1 LEU 118 HB3 -0.02 -0.14 0.03 -0.04 1.64 1.46 2b6pA1 LEU 118 HG -0.06 0.20 -0.18 -0.04 1.64 1.55 2b6pA1 LEU 118 HD13 -0.16 0.03 -0.10 -0.04 0.93 0.65 2b6pA1 LEU 118 HD23 -0.04 -0.04 -0.03 -0.04 0.89 0.74 2b6pA1 ASN 119 H -0.19 0.08 0.19 -0.55 8.53 8.06 2b6pA1 ASN 119 HA -0.21 0.12 0.38 -0.75 4.76 4.29 2b6pA1 ASN 119 HB2 -0.85 -0.10 0.14 -0.04 2.88 2.03 2b6pA1 ASN 119 HB3 -1.79 -0.07 -0.10 -0.04 2.79 0.80 2b6pA1 ASN 119 HD21 -0.24 0.43 -0.57 -0.04 7.03 6.61 2b6pA1 ASN 119 HD22 -0.22 0.06 -0.35 -0.04 7.74 7.19 2b6pA1 THR 120 H -0.02 0.29 0.05 -0.55 8.28 8.06 2b6pA1 THR 120 HA 0.16 0.04 0.74 -0.75 4.39 4.57 2b6pA1 THR 120 HB 0.03 0.06 -0.09 -0.04 4.32 4.29 2b6pA1 THR 120 HG23 0.06 -0.05 -0.21 -0.04 1.22 0.98 2b6pA1 LEU 121 H 0.17 0.06 0.08 -0.55 8.37 8.13 2b6pA1 LEU 121 HA 0.16 0.19 0.77 -0.75 4.35 4.71 2b6pA1 LEU 121 HB2 0.11 -0.06 0.03 -0.04 1.64 1.68 2b6pA1 LEU 121 HB3 0.10 0.16 0.05 -0.04 1.64 1.91 2b6pA1 LEU 121 HG 0.07 -0.10 -0.02 -0.04 1.64 1.56 2b6pA1 LEU 121 HD13 0.08 0.00 -0.05 -0.04 0.93 0.92 2b6pA1 LEU 121 HD23 0.19 -0.03 -0.04 -0.04 0.89 0.97 2b6pA1 HIS 122 H 0.18 0.43 0.34 -0.55 8.41 8.81 2b6pA1 HIS 122 HA -0.02 0.15 0.60 -0.75 4.63 4.61 2b6pA1 HIS 122 HB2 -0.04 0.33 0.29 -0.04 3.26 3.81 2b6pA1 HIS 122 HB3 -0.03 -0.19 0.22 -0.04 3.20 3.15 2b6pA1 HIS 122 HD2 -0.09 -0.14 -0.07 -0.04 6.97 6.63 2b6pA1 HIS 122 HE1 -0.12 -0.01 0.04 -0.04 7.75 7.61 2b6pA1 PRO 123 HA -0.07 0.06 0.35 -0.51 4.44 4.27 2b6pA1 PRO 123 HB2 -0.26 -0.02 0.08 -0.04 2.28 2.03 2b6pA1 PRO 123 HB3 -0.12 0.02 0.08 -0.04 2.02 1.96 2b6pA1 PRO 123 HG2 -0.25 0.04 0.10 -0.04 2.03 1.88 2b6pA1 PRO 123 HG3 -0.14 0.07 0.11 -0.04 2.03 2.03 2b6pA1 PRO 123 HD2 -1.19 0.07 0.20 -0.04 3.68 2.72 2b6pA1 PRO 123 HD3 -0.28 0.27 0.29 -0.04 3.65 3.88 2b6pA1 GLY 124 H -0.18 0.12 -0.25 -0.55 8.43 7.58 2b6pA1 GLY 124 HA2 0.00 0.10 0.51 -0.51 4.01 4.11 2b6pA1 GLY 124 HA3 0.05 -0.01 0.29 -0.51 4.01 3.83 2b6pA1 VAL 125 H 0.07 0.79 -0.37 -0.55 8.24 8.18 2b6pA1 VAL 125 HA 0.09 0.06 0.93 -0.75 4.13 4.46 2b6pA1 VAL 125 HB 0.14 0.15 0.25 -0.04 2.12 2.63 2b6pA1 VAL 125 HG13 0.13 -0.01 -0.12 -0.04 0.97 0.93 2b6pA1 VAL 125 HG23 0.18 -0.02 -0.03 -0.04 0.95 1.04 2b6pA1 SER 126 H 0.06 0.11 0.15 -0.55 8.46 8.23 2b6pA1 SER 126 HA 0.04 0.21 0.46 -0.75 4.49 4.44 2b6pA1 SER 126 HB2 0.03 0.06 0.18 -0.04 3.95 4.17 2b6pA1 SER 126 HB3 0.04 0.16 0.16 -0.04 3.93 4.25 2b6pA1 VAL 127 H 0.05 0.22 0.21 -0.55 8.24 8.16 2b6pA1 VAL 127 HA 0.06 0.16 0.46 -0.75 4.13 4.06 2b6pA1 VAL 127 HB 0.09 0.08 0.14 -0.04 2.12 2.39 2b6pA1 VAL 127 HG13 0.05 0.01 0.13 -0.04 0.97 1.12 2b6pA1 VAL 127 HG23 0.17 -0.00 -0.11 -0.04 0.95 0.97 2b6pA1 GLY 128 H 0.06 0.07 -0.19 -0.55 8.43 7.82 2b6pA1 GLY 128 HA2 0.09 0.13 0.45 -0.51 4.01 4.18 2b6pA1 GLY 128 HA3 0.06 0.10 0.26 -0.51 4.01 3.92 2b6pA1 GLN 129 H 0.04 0.06 -0.21 -0.55 8.47 7.82 2b6pA1 GLN 129 HA 0.01 0.11 0.46 -0.75 4.36 4.19 2b6pA1 GLN 129 HB2 0.06 0.08 0.14 -0.04 2.15 2.38 2b6pA1 GLN 129 HB3 0.04 0.07 0.04 -0.04 2.02 2.12 2b6pA1 GLN 129 HG2 0.02 0.05 0.05 -0.04 2.40 2.48 2b6pA1 GLN 129 HG3 0.03 -0.11 0.08 -0.04 2.39 2.36 2b6pA1 GLN 129 HE21 0.04 0.07 0.05 -0.04 6.97 7.09 2b6pA1 GLN 129 HE22 0.02 -0.00 0.03 -0.04 7.69 7.70 2b6pA1 ALA 130 H 0.04 0.60 -0.21 -0.55 8.40 8.29 2b6pA1 ALA 130 HA 0.02 0.04 0.34 -0.75 4.34 3.98 2b6pA1 ALA 130 HB3 0.02 0.05 0.03 -0.04 1.41 1.46 2b6pA1 THR 131 H 0.02 0.33 -0.49 -0.55 8.28 7.59 2b6pA1 THR 131 HA -0.09 0.03 0.55 -0.75 4.39 4.12 2b6pA1 THR 131 HB 0.05 0.14 0.14 -0.04 4.32 4.61 2b6pA1 THR 131 HG23 -0.05 -0.02 -0.05 -0.04 1.22 1.05 2b6pA1 ILE 132 H 0.01 0.37 -0.23 -0.55 8.25 7.85 2b6pA1 ILE 132 HA 0.09 0.06 0.49 -0.75 4.18 4.07 2b6pA1 ILE 132 HB -0.02 0.13 0.20 -0.04 1.89 2.16 2b6pA1 ILE 132 HG12 0.07 -0.03 0.03 -0.04 1.49 1.52 2b6pA1 ILE 132 HG13 0.04 0.18 0.10 -0.04 1.21 1.48 2b6pA1 ILE 132 HG23 -0.02 -0.01 -0.07 -0.04 0.93 0.78 2b6pA1 ILE 132 HD13 0.02 -0.02 -0.02 -0.04 0.88 0.82 2b6pA1 VAL 133 H -0.03 0.49 -0.15 -0.55 8.24 8.01 2b6pA1 VAL 133 HA -0.03 0.06 0.42 -0.75 4.13 3.82 2b6pA1 VAL 133 HB -0.04 0.09 0.15 -0.04 2.12 2.27 2b6pA1 VAL 133 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.81 2b6pA1 VAL 133 HG23 -0.28 0.06 0.00 -0.04 0.95 0.69 2b6pA1 GLU 134 H -0.02 0.59 -0.14 -0.55 8.60 8.49 2b6pA1 GLU 134 HA 0.00 -0.03 0.35 -0.75 4.29 3.86 2b6pA1 GLU 134 HB2 -0.09 0.13 0.19 -0.04 2.09 2.27 2b6pA1 GLU 134 HB3 -0.08 -0.12 -0.02 -0.04 1.99 1.73 2b6pA1 GLU 134 HG2 -0.06 0.16 0.05 -0.04 2.34 2.45 2b6pA1 GLU 134 HG3 -0.22 0.04 -0.09 -0.04 2.34 2.03 2b6pA1 ILE 135 H 0.04 0.34 -0.61 -0.55 8.25 7.47 2b6pA1 ILE 135 HA -0.03 0.11 0.44 -0.75 4.18 3.94 2b6pA1 ILE 135 HB 0.14 0.16 0.22 -0.04 1.89 2.37 2b6pA1 ILE 135 HG12 -0.05 -0.02 0.17 -0.04 1.49 1.56 2b6pA1 ILE 135 HG13 -0.02 0.28 0.20 -0.04 1.21 1.63 2b6pA1 ILE 135 HG23 -0.08 -0.02 -0.16 -0.04 0.93 0.63 2b6pA1 ILE 135 HD13 0.01 -0.04 -0.05 -0.04 0.88 0.77 2b6pA1 PHE 136 H 0.35 0.59 0.01 -0.55 8.34 8.73 2b6pA1 PHE 136 HA -0.07 0.02 0.46 -0.75 4.62 4.29 2b6pA1 PHE 136 HB2 -0.10 0.10 0.21 -0.04 3.15 3.32 2b6pA1 PHE 136 HB3 -0.16 -0.02 -0.00 -0.04 3.06 2.84 2b6pA1 PHE 136 HD2 -0.09 0.12 0.06 -0.04 7.28 7.33 2b6pA1 PHE 136 HE2 -0.05 -0.01 -0.01 -0.04 7.38 7.27 2b6pA1 PHE 136 HZ -0.04 -0.00 -0.02 -0.04 7.32 7.22 2b6pA1 LEU 137 H 0.10 0.60 -0.17 -0.55 8.37 8.35 2b6pA1 LEU 137 HA 0.03 0.05 0.38 -0.75 4.35 4.06 2b6pA1 LEU 137 HB2 0.00 0.01 0.11 -0.04 1.64 1.72 2b6pA1 LEU 137 HB3 -0.02 -0.00 -0.00 -0.04 1.64 1.58 2b6pA1 LEU 137 HG 0.10 0.43 -0.07 -0.04 1.64 2.05 2b6pA1 LEU 137 HD13 -0.01 -0.04 -0.06 -0.04 0.93 0.77 2b6pA1 LEU 137 HD23 0.26 0.00 0.05 -0.04 0.89 1.16 2b6pA1 THR 138 H 0.01 0.51 -0.15 -0.55 8.28 8.10 2b6pA1 THR 138 HA 0.14 0.07 0.43 -0.75 4.39 4.28 2b6pA1 THR 138 HB -0.02 0.04 0.09 -0.04 4.32 4.39 2b6pA1 THR 138 HG23 0.04 0.02 0.01 -0.04 1.22 1.26 2b6pA1 LEU 139 H -0.05 0.51 -0.29 -0.55 8.37 8.00 2b6pA1 LEU 139 HA -0.14 0.12 0.41 -0.75 4.35 3.99 2b6pA1 LEU 139 HB2 -0.20 0.00 0.15 -0.04 1.64 1.55 2b6pA1 LEU 139 HB3 -0.22 0.06 0.23 -0.04 1.64 1.67 2b6pA1 LEU 139 HG -0.23 0.01 -0.20 -0.04 1.64 1.18 2b6pA1 LEU 139 HD13 -0.18 -0.03 -0.12 -0.04 0.93 0.56 2b6pA1 LEU 139 HD23 -0.44 -0.02 -0.06 -0.04 0.89 0.33 2b6pA1 GLN 140 H -0.04 0.60 -0.04 -0.55 8.47 8.45 2b6pA1 GLN 140 HA -0.05 0.03 0.44 -0.75 4.36 4.03 2b6pA1 GLN 140 HB2 0.01 -0.03 0.03 -0.04 2.15 2.13 2b6pA1 GLN 140 HB3 -0.02 -0.02 0.09 -0.04 2.02 2.03 2b6pA1 GLN 140 HG2 0.00 -0.07 0.01 -0.04 2.40 2.30 2b6pA1 GLN 140 HG3 0.03 0.20 0.20 -0.04 2.39 2.79 2b6pA1 GLN 140 HE21 0.09 0.21 -0.01 -0.04 6.97 7.21 2b6pA1 GLN 140 HE22 0.04 -0.04 0.10 -0.04 7.69 7.74 2b6pA1 PHE 141 H 0.14 0.33 -0.39 -0.55 8.34 7.87 2b6pA1 PHE 141 HA -0.03 0.03 0.36 -0.75 4.62 4.23 2b6pA1 PHE 141 HB2 -0.01 0.14 0.09 -0.04 3.15 3.33 2b6pA1 PHE 141 HB3 -0.06 0.05 0.20 -0.04 3.06 3.20 2b6pA1 PHE 141 HD2 -0.01 -0.04 -0.02 -0.04 7.28 7.17 2b6pA1 PHE 141 HE2 0.02 0.07 -0.01 -0.04 7.38 7.41 2b6pA1 PHE 141 HZ 0.05 0.02 -0.06 -0.04 7.32 7.29 2b6pA1 VAL 142 H -0.08 0.82 0.02 -0.55 8.24 8.45 2b6pA1 VAL 142 HA -0.49 0.00 0.42 -0.75 4.13 3.31 2b6pA1 VAL 142 HB -0.28 0.11 0.17 -0.04 2.12 2.08 2b6pA1 VAL 142 HG13 -0.68 0.03 -0.12 -0.04 0.97 0.16 2b6pA1 VAL 142 HG23 -0.21 -0.01 0.07 -0.04 0.95 0.76 2b6pA1 LEU 143 H -0.19 0.58 -0.25 -0.55 8.37 7.96 2b6pA1 LEU 143 HA -0.28 0.03 0.37 -0.75 4.35 3.72 2b6pA1 LEU 143 HB2 -0.13 0.00 0.12 -0.04 1.64 1.59 2b6pA1 LEU 143 HB3 -0.09 0.10 0.17 -0.04 1.64 1.77 2b6pA1 LEU 143 HG -0.02 0.01 -0.19 -0.04 1.64 1.40 2b6pA1 LEU 143 HD13 0.06 -0.02 0.03 -0.04 0.93 0.95 2b6pA1 LEU 143 HD23 -0.02 -0.02 -0.04 -0.04 0.89 0.77 2b6pA1 CYS 144 H -0.12 0.49 -0.36 -0.55 8.50 7.96 2b6pA1 CYS 144 HA -0.05 -0.00 0.41 -0.75 4.58 4.19 2b6pA1 CYS 144 HB2 0.02 0.07 0.12 -0.04 2.97 3.13 2b6pA1 CYS 144 HB3 -0.04 0.16 0.12 -0.04 2.97 3.17 2b6pA1 ILE 145 H -0.30 0.39 -0.17 -0.55 8.25 7.62 2b6pA1 ILE 145 HA -0.31 0.02 0.43 -0.75 4.18 3.57 2b6pA1 ILE 145 HB -0.45 0.08 0.21 -0.04 1.89 1.69 2b6pA1 ILE 145 HG12 -0.48 -0.03 0.01 -0.04 1.49 0.95 2b6pA1 ILE 145 HG13 -0.69 0.18 0.05 -0.04 1.21 0.71 2b6pA1 ILE 145 HG23 -0.86 -0.01 -0.13 -0.04 0.93 -0.12 2b6pA1 ILE 145 HD13 -0.97 -0.03 -0.05 -0.04 0.88 -0.22 2b6pA1 PHE 146 H -0.10 0.75 0.00 -0.55 8.34 8.44 2b6pA1 PHE 146 HA -0.30 0.01 0.35 -0.75 4.62 3.93 2b6pA1 PHE 146 HB2 -0.61 0.08 0.12 -0.04 3.15 2.70 2b6pA1 PHE 146 HB3 -0.98 -0.01 -0.06 -0.04 3.06 1.97 2b6pA1 PHE 146 HD2 -0.39 -0.00 0.00 -0.04 7.28 6.85 2b6pA1 PHE 146 HE2 -0.75 -0.00 -0.06 -0.04 7.38 6.53 2b6pA1 PHE 146 HZ -0.40 0.19 -0.35 -0.04 7.32 6.72 2b6pA1 ALA 147 H -0.37 0.57 -0.15 -0.55 8.40 7.91 2b6pA1 ALA 147 HA -0.15 0.01 0.38 -0.75 4.34 3.83 2b6pA1 ALA 147 HB3 0.01 -0.01 0.08 -0.04 1.41 1.45 2b6pA1 THR 148 H -0.02 0.51 -0.25 -0.55 8.28 7.97 2b6pA1 THR 148 HA 0.09 0.06 0.49 -0.75 4.39 4.28 2b6pA1 THR 148 HB 0.12 -0.15 0.07 -0.04 4.32 4.31 2b6pA1 THR 148 HG23 0.06 -0.01 0.02 -0.04 1.22 1.25 2b6pA1 TYR 149 H 0.17 0.51 -0.17 -0.55 8.29 8.25 2b6pA1 TYR 149 HA -0.01 0.02 0.61 -0.75 4.56 4.42 2b6pA1 TYR 149 HB2 -0.03 0.15 0.11 -0.04 3.06 3.25 2b6pA1 TYR 149 HB3 -0.04 -0.09 -0.01 -0.04 2.98 2.79 2b6pA1 TYR 149 HD2 -0.05 -0.06 -0.12 -0.04 7.15 6.88 2b6pA1 TYR 149 HE2 0.02 0.00 -0.02 -0.04 6.85 6.81 2b6pA1 ASP 150 H 0.08 0.34 -0.28 -0.55 8.40 8.00 2b6pA1 ASP 150 HA 0.04 -0.09 0.40 -0.75 4.63 4.23 2b6pA1 ASP 150 HB2 0.13 0.26 0.18 -0.04 2.71 3.23 2b6pA1 ASP 150 HB3 0.19 0.11 0.13 -0.04 2.70 3.09 2b6pA1 GLU 151 H 0.02 0.11 0.26 -0.55 8.60 8.44 2b6pA1 GLU 151 HA 0.03 0.17 0.47 -0.75 4.29 4.20 2b6pA1 GLU 151 HB2 0.00 -0.03 0.14 -0.04 2.09 2.17 2b6pA1 GLU 151 HB3 -0.01 0.06 0.19 -0.04 1.99 2.19 2b6pA1 GLU 151 HG2 0.01 0.02 -0.20 -0.04 2.34 2.13 2b6pA1 GLU 151 HG3 -0.01 -0.03 0.01 -0.04 2.34 2.28 2b6pA1 ARG 152 H 0.05 0.03 -0.29 -0.55 8.46 7.69 2b6pA1 ARG 152 HA 0.08 0.08 0.43 -0.75 4.34 4.17 2b6pA1 ARG 152 HB2 0.07 0.04 -0.00 -0.04 1.90 1.97 2b6pA1 ARG 152 HB3 0.17 -0.02 0.16 -0.04 1.80 2.07 2b6pA1 ARG 152 HG2 -0.01 -0.01 0.01 -0.04 1.67 1.62 2b6pA1 ARG 152 HG3 -0.04 -0.09 0.04 -0.04 1.67 1.54 2b6pA1 ARG 152 HD2 -0.18 -0.00 0.03 -0.04 3.22 3.02 2b6pA1 ARG 152 HD3 -0.14 -0.01 0.02 -0.04 3.22 3.04 2b6pA1 ARG 153 H 0.11 0.41 -0.61 -0.55 8.46 7.82 2b6pA1 ARG 153 HA 0.11 0.09 0.75 -0.75 4.34 4.54 2b6pA1 ARG 153 HB2 0.12 -0.20 0.11 -0.04 1.90 1.89 2b6pA1 ARG 153 HB3 0.28 0.03 -0.23 -0.04 1.80 1.84 2b6pA1 ARG 153 HG2 0.25 -0.03 -0.03 -0.04 1.67 1.82 2b6pA1 ARG 153 HG3 0.19 0.14 -0.05 -0.04 1.67 1.91 2b6pA1 ARG 153 HD2 0.11 0.21 -0.02 -0.04 3.22 3.49 2b6pA1 ARG 153 HD3 0.09 0.03 -0.47 -0.04 3.22 2.84 2b6pA1 ASN 154 H 0.06 0.06 0.11 -0.55 8.53 8.21 2b6pA1 ASN 154 HA 0.04 -0.05 0.41 -0.75 4.76 4.39 2b6pA1 ASN 154 HB2 0.06 0.20 -0.18 -0.04 2.88 2.91 2b6pA1 ASN 154 HB3 0.04 -0.31 -0.09 -0.04 2.79 2.38 2b6pA1 ASN 154 HD21 0.03 0.04 -0.05 -0.04 7.03 7.01 2b6pA1 ASN 154 HD22 0.04 -0.00 -0.22 -0.04 7.74 7.51 2b6pA1 GLY 155 H 0.02 0.09 0.18 -0.55 8.43 8.18 2b6pA1 GLY 155 HA2 0.02 0.26 0.80 -0.51 4.01 4.58 2b6pA1 GLY 155 HA3 0.02 0.05 0.34 -0.51 4.01 3.90 2b6pA1 ARG 156 H 0.02 0.00 0.07 -0.55 8.46 8.01 2b6pA1 ARG 156 HA 0.02 0.20 0.77 -0.75 4.34 4.57 2b6pA1 ARG 156 HB2 0.02 -0.03 0.08 -0.04 1.90 1.93 2b6pA1 ARG 156 HB3 0.02 0.05 0.18 -0.04 1.80 2.01 2b6pA1 ARG 156 HG2 0.01 0.06 0.01 -0.04 1.67 1.71 2b6pA1 ARG 156 HG3 0.01 -0.07 -0.21 -0.04 1.67 1.36 2b6pA1 ARG 156 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.17 2b6pA1 ARG 156 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 2b6pA1 LEU 157 H 0.03 0.15 -0.27 -0.55 8.37 7.73 2b6pA1 LEU 157 HA 0.04 0.10 0.45 -0.75 4.35 4.18 2b6pA1 LEU 157 HB2 0.03 0.02 -0.01 -0.04 1.64 1.64 2b6pA1 LEU 157 HB3 0.04 0.04 -0.18 -0.04 1.64 1.50 2b6pA1 LEU 157 HG 0.05 -0.19 -0.13 -0.04 1.64 1.33 2b6pA1 LEU 157 HD13 0.05 0.08 -0.02 -0.04 0.93 0.99 2b6pA1 LEU 157 HD23 0.06 0.00 -0.05 -0.04 0.89 0.86 2b6pA1 GLY 158 H 0.02 0.02 -0.19 -0.55 8.43 7.73 2b6pA1 GLY 158 HA2 0.01 0.02 0.22 -0.51 4.01 3.75 2b6pA1 GLY 158 HA3 0.03 0.10 0.48 -0.51 4.01 4.11 2b6pA1 SER 159 H 0.01 0.12 0.12 -0.55 8.46 8.17 2b6pA1 SER 159 HA -0.01 0.14 0.62 -0.75 4.49 4.48 2b6pA1 SER 159 HB2 -0.02 0.10 0.10 -0.04 3.95 4.08 2b6pA1 SER 159 HB3 -0.01 0.03 0.19 -0.04 3.93 4.10 2b6pA1 VAL 160 H -0.00 0.26 0.16 -0.55 8.24 8.10 2b6pA1 VAL 160 HA 0.06 0.16 0.49 -0.75 4.13 4.08 2b6pA1 VAL 160 HB 0.12 0.06 0.01 -0.04 2.12 2.26 2b6pA1 VAL 160 HG13 0.02 0.06 0.02 -0.04 0.97 1.03 2b6pA1 VAL 160 HG23 -0.02 -0.01 -0.18 -0.04 0.95 0.70 2b6pA1 ALA 161 H 0.00 0.06 -0.15 -0.55 8.40 7.76 2b6pA1 ALA 161 HA 0.07 0.14 0.36 -0.75 4.34 4.15 2b6pA1 ALA 161 HB3 -0.01 0.08 0.02 -0.04 1.41 1.46 2b6pA1 LEU 162 H -0.04 0.07 -0.28 -0.55 8.37 7.58 2b6pA1 LEU 162 HA -0.25 0.07 0.44 -0.75 4.35 3.85 2b6pA1 LEU 162 HB2 -0.08 -0.05 0.10 -0.04 1.64 1.56 2b6pA1 LEU 162 HB3 -0.10 0.10 -0.09 -0.04 1.64 1.50 2b6pA1 LEU 162 HG -0.20 -0.00 -0.01 -0.04 1.64 1.40 2b6pA1 LEU 162 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.87 2b6pA1 LEU 162 HD23 -1.05 0.00 -0.00 -0.04 0.89 -0.21 2b6pA1 ALA 163 H 0.03 0.40 -0.21 -0.55 8.40 8.07 2b6pA1 ALA 163 HA 0.15 0.02 0.36 -0.75 4.34 4.12 2b6pA1 ALA 163 HB3 0.08 0.06 0.08 -0.04 1.41 1.59 2b6pA1 VAL 164 H 0.09 0.62 -0.19 -0.55 8.24 8.20 2b6pA1 VAL 164 HA 0.14 0.03 0.36 -0.75 4.13 3.90 2b6pA1 VAL 164 HB 0.14 0.07 0.11 -0.04 2.12 2.39 2b6pA1 VAL 164 HG13 0.12 -0.01 -0.14 -0.04 0.97 0.91 2b6pA1 VAL 164 HG23 0.10 0.04 -0.03 -0.04 0.95 1.02 2b6pA1 GLY 165 H 0.05 0.54 -0.18 -0.55 8.43 8.30 2b6pA1 GLY 165 HA2 0.14 -0.00 0.50 -0.51 4.01 4.14 2b6pA1 GLY 165 HA3 -0.03 0.11 0.42 -0.51 4.01 4.00 2b6pA1 PHE 166 H 0.05 0.89 -0.08 -0.55 8.34 8.65 2b6pA1 PHE 166 HA 0.04 -0.03 0.46 -0.75 4.62 4.34 2b6pA1 PHE 166 HB2 0.05 0.16 0.12 -0.04 3.15 3.44 2b6pA1 PHE 166 HB3 0.04 -0.06 0.01 -0.04 3.06 3.02 2b6pA1 PHE 166 HD2 0.03 -0.01 -0.06 -0.04 7.28 7.19 2b6pA1 PHE 166 HE2 0.01 -0.01 -0.04 -0.04 7.38 7.30 2b6pA1 PHE 166 HZ 0.01 -0.01 -0.03 -0.04 7.32 7.24 2b6pA1 SER 167 H 0.24 0.48 -0.37 -0.55 8.46 8.27 2b6pA1 SER 167 HA 0.16 -0.01 0.45 -0.75 4.49 4.34 2b6pA1 SER 167 HB2 0.19 0.04 0.10 -0.04 3.95 4.23 2b6pA1 SER 167 HB3 0.39 0.22 0.20 -0.04 3.93 4.71 2b6pA1 LEU 168 H 0.20 0.54 -0.10 -0.55 8.37 8.47 2b6pA1 LEU 168 HA -0.29 -0.02 0.38 -0.75 4.35 3.67 2b6pA1 LEU 168 HB2 -0.06 0.04 0.11 -0.04 1.64 1.69 2b6pA1 LEU 168 HB3 0.05 0.17 0.16 -0.04 1.64 1.97 2b6pA1 LEU 168 HG -0.13 -0.02 -0.20 -0.04 1.64 1.24 2b6pA1 LEU 168 HD13 -0.45 -0.01 -0.04 -0.04 0.93 0.39 2b6pA1 LEU 168 HD23 0.25 0.02 -0.17 -0.04 0.89 0.95 2b6pA1 THR 169 H 0.13 0.52 -0.11 -0.55 8.28 8.26 2b6pA1 THR 169 HA 0.01 0.14 0.43 -0.75 4.39 4.22 2b6pA1 THR 169 HB 0.22 0.11 0.15 -0.04 4.32 4.76 2b6pA1 THR 169 HG23 0.07 -0.05 -0.26 -0.04 1.22 0.93 2b6pA1 LEU 170 H 0.11 0.60 -0.24 -0.55 8.37 8.29 2b6pA1 LEU 170 HA 0.07 -0.03 0.39 -0.75 4.35 4.02 2b6pA1 LEU 170 HB2 0.07 0.17 0.19 -0.04 1.64 2.03 2b6pA1 LEU 170 HB3 0.08 0.15 0.13 -0.04 1.64 1.95 2b6pA1 LEU 170 HG 0.03 -0.01 0.00 -0.04 1.64 1.63 2b6pA1 LEU 170 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.83 2b6pA1 LEU 170 HD23 0.05 -0.03 -0.01 -0.04 0.89 0.85 2b6pA1 GLY 171 H 0.07 0.60 -0.20 -0.55 8.43 8.36 2b6pA1 GLY 171 HA2 0.08 -0.06 0.37 -0.51 4.01 3.88 2b6pA1 GLY 171 HA3 0.01 0.08 0.28 -0.51 4.01 3.87 2b6pA1 HIS 172 H 0.23 0.50 -0.33 -0.55 8.41 8.27 2b6pA1 HIS 172 HA -0.09 -0.07 0.48 -0.75 4.63 4.20 2b6pA1 HIS 172 HB2 -0.04 0.12 0.20 -0.04 3.26 3.51 2b6pA1 HIS 172 HB3 -0.09 -0.02 -0.06 -0.04 3.20 2.98 2b6pA1 HIS 172 HD2 -0.27 0.03 -0.10 -0.04 6.97 6.59 2b6pA1 HIS 172 HE1 -0.38 -0.06 -0.13 -0.04 7.75 7.13 2b6pA1 LEU 173 H 0.10 0.74 0.05 -0.55 8.37 8.70 2b6pA1 LEU 173 HA -0.03 -0.01 0.27 -0.75 4.35 3.83 2b6pA1 LEU 173 HB2 0.08 0.09 0.13 -0.04 1.64 1.90 2b6pA1 LEU 173 HB3 0.06 -0.06 -0.01 -0.04 1.64 1.58 2b6pA1 LEU 173 HG 0.04 0.20 -0.05 -0.04 1.64 1.80 2b6pA1 LEU 173 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.81 2b6pA1 LEU 173 HD23 0.00 -0.01 -0.06 -0.04 0.89 0.78 2b6pA1 PHE 174 H 0.19 0.36 -0.50 -0.55 8.34 7.84 2b6pA1 PHE 174 HA 0.10 0.12 0.73 -0.75 4.62 4.81 2b6pA1 PHE 174 HB2 0.04 -0.01 0.01 -0.04 3.15 3.14 2b6pA1 PHE 174 HB3 0.01 0.09 0.11 -0.04 3.06 3.23 2b6pA1 PHE 174 HD2 0.02 0.02 -0.03 -0.04 7.28 7.24 2b6pA1 PHE 174 HE2 -0.16 -0.04 -0.04 -0.04 7.38 7.09 2b6pA1 PHE 174 HZ -0.55 -0.04 -0.05 -0.04 7.32 6.64 2b6pA1 GLY 175 H 0.17 0.66 0.09 -0.55 8.43 8.81 2b6pA1 GLY 175 HA2 -0.20 -0.05 0.36 -0.51 4.01 3.61 2b6pA1 GLY 175 HA3 -0.02 0.07 0.34 -0.51 4.01 3.90 2b6pA1 MET 176 H -0.16 0.68 -0.08 -0.55 8.47 8.36 2b6pA1 MET 176 HA -0.13 -0.18 0.23 -0.75 4.52 3.69 2b6pA1 MET 176 HB2 -0.33 0.10 0.01 -0.04 2.15 1.90 2b6pA1 MET 176 HB3 -0.19 0.03 -0.06 -0.04 2.03 1.77 2b6pA1 MET 176 HG2 -0.13 0.17 -0.11 -0.04 2.63 2.52 2b6pA1 MET 176 HG3 -0.14 -0.04 -0.00 -0.04 2.56 2.33 2b6pA1 MET 176 HE3 -0.17 0.03 -0.08 -0.04 2.10 1.83 2b6pA1 TYR 177 H -0.27 0.28 -0.33 -0.55 8.29 7.42 2b6pA1 TYR 177 HA -0.20 0.10 0.38 -0.75 4.56 4.09 2b6pA1 TYR 177 HB2 -0.46 0.08 0.04 -0.04 3.06 2.69 2b6pA1 TYR 177 HB3 -0.54 -0.05 0.02 -0.04 2.98 2.37 2b6pA1 TYR 177 HD2 -0.18 0.06 0.03 -0.04 7.15 7.02 2b6pA1 TYR 177 HE2 -0.06 0.00 0.02 -0.04 6.85 6.77 2b6pA1 TYR 178 H 0.06 0.33 -0.25 -0.55 8.29 7.89 2b6pA1 TYR 178 HA -0.07 0.09 0.75 -0.75 4.56 4.58 2b6pA1 TYR 178 HB2 -0.15 0.04 0.20 -0.04 3.06 3.11 2b6pA1 TYR 178 HB3 -0.06 -0.10 -0.00 -0.04 2.98 2.78 2b6pA1 TYR 178 HD2 -0.34 0.04 0.02 -0.04 7.15 6.84 2b6pA1 TYR 178 HE2 -0.50 0.04 -0.03 -0.04 6.85 6.32 2b6pA1 THR 179 H 0.09 0.45 0.19 -0.55 8.28 8.46 2b6pA1 THR 179 HA 0.17 0.31 0.86 -0.75 4.39 4.97 2b6pA1 THR 179 HB 0.30 -0.01 0.01 -0.04 4.32 4.59 2b6pA1 THR 179 HG23 0.07 0.02 -0.17 -0.04 1.22 1.10 2b6pA1 GLY 180 H 0.00 0.35 0.09 -0.55 8.43 8.33 2b6pA1 GLY 180 HA2 -0.06 0.10 0.41 -0.51 4.01 3.95 2b6pA1 GLY 180 HA3 -0.04 0.09 0.52 -0.51 4.01 4.07 2b6pA1 ALA 181 H -0.04 -0.15 -0.82 -0.55 8.40 6.85 2b6pA1 ALA 181 HA -0.13 -0.18 0.14 -0.75 4.34 3.42 2b6pA1 ALA 181 HB3 -0.64 0.05 -0.21 -0.04 1.41 0.57 2b6pA1 GLY 182 H 0.02 -0.06 -0.03 -0.55 8.43 7.82 2b6pA1 GLY 182 HA2 -0.16 0.34 0.65 -0.51 4.01 4.33 2b6pA1 GLY 182 HA3 0.07 -0.06 0.28 -0.51 4.01 3.80 2b6pA1 MET 183 H -0.04 0.03 0.06 -0.55 8.47 7.97 2b6pA1 MET 183 HA -0.06 -0.04 0.29 -0.75 4.52 3.96 2b6pA1 MET 183 HB2 -0.18 0.30 -0.32 -0.04 2.15 1.91 2b6pA1 MET 183 HB3 -0.22 -0.00 0.07 -0.04 2.03 1.84 2b6pA1 MET 183 HG2 -0.10 -0.07 -0.19 -0.04 2.63 2.23 2b6pA1 MET 183 HG3 -0.16 -0.16 -0.27 -0.04 2.56 1.93 2b6pA1 MET 183 HE3 -0.39 0.05 -0.09 -0.04 2.10 1.62 2b6pA1 ASN 184 H -0.08 0.03 -1.01 -0.55 8.53 6.92 2b6pA1 ASN 184 HA -0.09 -0.03 0.66 -0.75 4.76 4.55 2b6pA1 ASN 184 HB2 0.02 0.21 -0.23 -0.04 2.88 2.85 2b6pA1 ASN 184 HB3 0.06 0.14 0.09 -0.04 2.79 3.03 2b6pA1 ASN 184 HD21 -0.23 0.48 0.33 -0.04 7.03 7.57 2b6pA1 ASN 184 HD22 -0.21 0.08 0.06 -0.04 7.74 7.63 2b6pA1 PRO 185 HA -0.84 0.26 0.47 -0.51 4.44 3.82 2b6pA1 PRO 185 HB2 -1.12 -0.07 0.16 -0.04 2.28 1.22 2b6pA1 PRO 185 HB3 -3.28 0.08 0.13 -0.04 2.02 -1.09 2b6pA1 PRO 185 HG2 -0.48 -0.01 0.10 -0.04 2.03 1.60 2b6pA1 PRO 185 HG3 -0.62 0.21 0.22 -0.04 2.03 1.80 2b6pA1 PRO 185 HD2 -0.26 -0.14 0.25 -0.04 3.68 3.49 2b6pA1 PRO 185 HD3 -0.22 0.19 0.10 -0.04 3.65 3.67 2b6pA1 ALA 186 H -0.25 0.06 -0.06 -0.55 8.40 7.60 2b6pA1 ALA 186 HA 0.12 0.04 0.42 -0.75 4.34 4.17 2b6pA1 ALA 186 HB3 0.02 0.05 -0.02 -0.04 1.41 1.42 2b6pA1 ARG 187 H 0.03 0.11 -0.25 -0.55 8.46 7.79 2b6pA1 ARG 187 HA 0.18 0.06 0.49 -0.75 4.34 4.32 2b6pA1 ARG 187 HB2 0.42 -0.05 0.10 -0.04 1.90 2.32 2b6pA1 ARG 187 HB3 0.13 0.09 0.15 -0.04 1.80 2.13 2b6pA1 ARG 187 HG2 0.21 0.01 0.09 -0.04 1.67 1.94 2b6pA1 ARG 187 HG3 0.35 -0.00 0.02 -0.04 1.67 2.00 2b6pA1 ARG 187 HD2 -0.06 0.10 0.05 -0.04 3.22 3.28 2b6pA1 ARG 187 HD3 -0.02 -0.05 -0.48 -0.04 3.22 2.63 2b6pA1 SER 188 H -0.01 0.29 -0.14 -0.55 8.46 8.06 2b6pA1 SER 188 HA -0.04 0.14 0.65 -0.75 4.49 4.49 2b6pA1 SER 188 HB2 -0.01 0.04 0.16 -0.04 3.95 4.10 2b6pA1 SER 188 HB3 0.04 -0.05 0.07 -0.04 3.93 3.95 2b6pA1 PHE 189 H 0.32 0.75 0.12 -0.55 8.34 8.98 2b6pA1 PHE 189 HA 0.39 -0.04 0.40 -0.75 4.62 4.62 2b6pA1 PHE 189 HB2 0.54 -0.02 0.08 -0.04 3.15 3.71 2b6pA1 PHE 189 HB3 0.24 0.06 0.22 -0.04 3.06 3.53 2b6pA1 PHE 189 HD2 0.52 0.03 -0.01 -0.04 7.28 7.78 2b6pA1 PHE 189 HE2 0.25 0.01 -0.05 -0.04 7.38 7.55 2b6pA1 PHE 189 HZ 0.18 0.01 -0.04 -0.04 7.32 7.43 2b6pA1 ALA 190 H 0.23 0.53 -0.04 -0.55 8.40 8.58 2b6pA1 ALA 190 HA -0.07 -0.09 0.30 -0.75 4.34 3.74 2b6pA1 ALA 190 HB3 0.08 0.02 -0.09 -0.04 1.41 1.39 2b6pA1 PRO 191 HA -0.06 0.05 0.43 -0.51 4.44 4.35 2b6pA1 PRO 191 HB2 -0.08 -0.08 0.03 -0.04 2.28 2.11 2b6pA1 PRO 191 HB3 -0.04 0.24 -0.05 -0.04 2.02 2.14 2b6pA1 PRO 191 HG2 -0.00 0.10 0.15 -0.04 2.03 2.24 2b6pA1 PRO 191 HG3 0.01 0.02 0.07 -0.04 2.03 2.09 2b6pA1 PRO 191 HD2 0.01 0.28 -0.47 -0.04 3.68 3.45 2b6pA1 PRO 191 HD3 0.05 0.04 -0.04 -0.04 3.65 3.65 2b6pA1 ALA 192 H -0.23 0.43 -0.24 -0.55 8.40 7.81 2b6pA1 ALA 192 HA -0.49 0.10 0.50 -0.75 4.34 3.70 2b6pA1 ALA 192 HB3 -0.97 0.00 0.15 -0.04 1.41 0.55 2b6pA1 ILE 193 H -0.60 0.66 0.07 -0.55 8.25 7.83 2b6pA1 ILE 193 HA -0.07 -0.02 0.41 -0.75 4.18 3.75 2b6pA1 ILE 193 HB -0.76 -0.04 0.06 -0.04 1.89 1.10 2b6pA1 ILE 193 HG12 -0.01 0.03 0.03 -0.04 1.49 1.51 2b6pA1 ILE 193 HG13 0.16 -0.05 0.08 -0.04 1.21 1.37 2b6pA1 ILE 193 HG23 -0.29 0.04 -0.12 -0.04 0.93 0.53 2b6pA1 ILE 193 HD13 0.17 -0.02 -0.02 -0.04 0.88 0.98 2b6pA1 LEU 194 H -0.21 0.37 -0.47 -0.55 8.37 7.51 2b6pA1 LEU 194 HA -0.10 0.10 0.74 -0.75 4.35 4.34 2b6pA1 LEU 194 HB2 -0.10 0.16 0.05 -0.04 1.64 1.72 2b6pA1 LEU 194 HB3 -0.13 -0.03 0.04 -0.04 1.64 1.48 2b6pA1 LEU 194 HG -0.10 0.05 -0.00 -0.04 1.64 1.55 2b6pA1 LEU 194 HD13 -0.05 0.02 -0.11 -0.04 0.93 0.75 2b6pA1 LEU 194 HD23 -0.09 -0.01 -0.05 -0.04 0.89 0.69 2b6pA1 THR 195 H -0.17 0.32 -0.17 -0.55 8.28 7.72 2b6pA1 THR 195 HA -0.04 0.16 0.84 -0.75 4.39 4.59 2b6pA1 THR 195 HB -0.04 -0.10 0.14 -0.04 4.32 4.28 2b6pA1 THR 195 HG23 -0.03 0.05 -0.09 -0.04 1.22 1.11 2b6pA1 ARG 196 H -0.10 0.14 -0.33 -0.55 8.46 7.61 2b6pA1 ARG 196 HA 0.09 -0.02 0.27 -0.75 4.34 3.93 2b6pA1 ARG 196 HB2 0.01 0.16 -0.12 -0.04 1.90 1.91 2b6pA1 ARG 196 HB3 0.06 -0.10 0.18 -0.04 1.80 1.90 2b6pA1 ARG 196 HG2 -0.00 0.08 -0.26 -0.04 1.67 1.44 2b6pA1 ARG 196 HG3 0.02 -0.05 -0.07 -0.04 1.67 1.53 2b6pA1 ARG 196 HD2 0.08 -0.09 0.02 -0.04 3.22 3.18 2b6pA1 ARG 196 HD3 0.09 0.10 0.04 -0.04 3.22 3.40 2b6pA1 ASN 197 H -0.33 0.49 -0.10 -0.55 8.53 8.04 2b6pA1 ASN 197 HA 0.03 0.07 0.88 -0.75 4.76 5.00 2b6pA1 ASN 197 HB2 -0.03 0.19 -0.15 -0.04 2.88 2.85 2b6pA1 ASN 197 HB3 -0.12 0.06 0.09 -0.04 2.79 2.79 2b6pA1 ASN 197 HD21 0.03 -0.05 -0.00 -0.04 7.03 6.96 2b6pA1 ASN 197 HD22 0.00 0.08 -0.00 -0.04 7.74 7.78 2b6pA1 PHE 198 H 0.26 0.18 0.01 -0.55 8.34 8.23 2b6pA1 PHE 198 HA 0.03 0.31 0.89 -0.75 4.62 5.10 2b6pA1 PHE 198 HB2 0.07 0.02 0.04 -0.04 3.15 3.23 2b6pA1 PHE 198 HB3 0.15 -0.11 0.15 -0.04 3.06 3.21 2b6pA1 PHE 198 HD2 -0.04 -0.03 -0.15 -0.04 7.28 7.02 2b6pA1 PHE 198 HE2 0.01 0.02 -0.10 -0.04 7.38 7.26 2b6pA1 PHE 198 HZ -0.16 0.01 -0.11 -0.04 7.32 7.01 2b6pA1 THR 199 H 0.12 0.20 -0.23 -0.55 8.28 7.81 2b6pA1 THR 199 HA 0.16 -0.00 0.50 -0.75 4.39 4.30 2b6pA1 THR 199 HB 0.09 0.02 0.10 -0.04 4.32 4.50 2b6pA1 THR 199 HG23 0.09 0.03 0.02 -0.04 1.22 1.32 2b6pA1 ASN 200 H 0.19 0.13 0.23 -0.55 8.53 8.54 2b6pA1 ASN 200 HA 0.22 -0.06 0.37 -0.75 4.76 4.55 2b6pA1 ASN 200 HB2 0.24 0.35 -0.09 -0.04 2.88 3.34 2b6pA1 ASN 200 HB3 0.17 -0.08 0.17 -0.04 2.79 3.00 2b6pA1 ASN 200 HD21 0.09 0.04 -0.05 -0.04 7.03 7.07 2b6pA1 ASN 200 HD22 0.14 0.07 -0.09 -0.04 7.74 7.81 2b6pA1 HIS 201 H 0.44 0.43 -0.76 -0.55 8.41 7.98 2b6pA1 HIS 201 HA 0.54 0.14 0.22 -0.75 4.63 4.77 2b6pA1 HIS 201 HB2 0.39 0.05 -0.01 -0.04 3.26 3.66 2b6pA1 HIS 201 HB3 0.50 -0.03 -0.03 -0.04 3.20 3.59 2b6pA1 HIS 201 HD2 0.68 -0.03 -0.11 -0.04 6.97 7.47 2b6pA1 HIS 201 HE1 0.35 -0.02 -0.68 -0.04 7.75 7.36 2b6pA1 TRP 202 H 0.49 0.10 -0.40 -0.55 7.97 7.61 2b6pA1 TRP 202 HA 0.14 0.06 0.35 -0.75 4.62 4.41 2b6pA1 TRP 202 HB2 0.07 0.06 0.06 -0.04 3.23 3.37 2b6pA1 TRP 202 HB3 0.08 -0.02 0.03 -0.04 3.23 3.28 2b6pA1 TRP 202 HD1 0.00 -0.01 -0.16 -0.04 7.22 7.02 2b6pA1 TRP 202 HE1 -0.00 0.01 -0.09 -0.04 10.20 10.08 2b6pA1 TRP 202 HE3 0.00 0.02 0.01 -0.04 7.59 7.58 2b6pA1 TRP 202 HZ2 0.00 0.02 -0.03 -0.04 7.44 7.39 2b6pA1 TRP 202 HZ3 -0.01 0.04 -0.01 -0.04 7.13 7.10 2b6pA1 TRP 202 HH2 -0.00 0.04 -0.02 -0.04 7.19 7.17 2b6pA1 VAL 203 H 0.16 0.50 -0.26 -0.55 8.24 8.08 2b6pA1 VAL 203 HA -0.30 -0.02 0.41 -0.75 4.13 3.47 2b6pA1 VAL 203 HB -0.67 0.21 0.08 -0.04 2.12 1.70 2b6pA1 VAL 203 HG13 -0.43 -0.03 -0.24 -0.04 0.97 0.22 2b6pA1 VAL 203 HG23 0.07 -0.01 0.09 -0.04 0.95 1.06 2b6pA1 TYR 204 H -0.19 0.40 -0.24 -0.55 8.29 7.70 2b6pA1 TYR 204 HA -0.14 -0.00 0.45 -0.75 4.56 4.11 2b6pA1 TYR 204 HB2 -0.18 0.16 0.06 -0.04 3.06 3.07 2b6pA1 TYR 204 HB3 -0.17 -0.07 0.11 -0.04 2.98 2.81 2b6pA1 TYR 204 HD2 0.04 -0.10 -0.04 -0.04 7.15 7.00 2b6pA1 TYR 204 HE2 0.04 0.02 -0.19 -0.04 6.85 6.68 2b6pA1 TRP 205 H -0.08 0.26 -0.49 -0.55 7.97 7.11 2b6pA1 TRP 205 HA -0.15 0.09 0.87 -0.75 4.62 4.68 2b6pA1 TRP 205 HB2 -0.24 0.06 0.11 -0.04 3.23 3.11 2b6pA1 TRP 205 HB3 -0.21 -0.01 -0.03 -0.04 3.23 2.93 2b6pA1 TRP 205 HD1 -0.46 0.16 -0.19 -0.04 7.22 6.69 2b6pA1 TRP 205 HE1 0.46 0.04 -0.07 -0.04 10.20 10.60 2b6pA1 TRP 205 HE3 -0.12 -0.01 -0.00 -0.04 7.59 7.42 2b6pA1 TRP 205 HZ2 -0.24 0.05 -0.07 -0.04 7.44 7.13 2b6pA1 TRP 205 HZ3 -0.07 -0.01 -0.02 -0.04 7.13 6.99 2b6pA1 TRP 205 HH2 -0.15 0.02 -0.04 -0.04 7.19 6.98 2b6pA1 VAL 206 H -0.41 0.52 0.17 -0.55 8.24 7.96 2b6pA1 VAL 206 HA -0.37 0.04 0.43 -0.75 4.13 3.47 2b6pA1 VAL 206 HB -1.03 0.09 0.19 -0.04 2.12 1.33 2b6pA1 VAL 206 HG13 -0.36 -0.00 -0.14 -0.04 0.97 0.43 2b6pA1 VAL 206 HG23 -2.31 -0.01 0.05 -0.04 0.95 -1.35 2b6pA1 GLY 207 H -0.29 0.56 0.09 -0.55 8.43 8.25 2b6pA1 GLY 207 HA2 -0.12 0.09 0.42 -0.51 4.01 3.89 2b6pA1 GLY 207 HA3 -0.14 0.06 0.28 -0.51 4.01 3.70 2b6pA1 PRO 208 HA -0.06 0.08 0.36 -0.51 4.44 4.32 2b6pA1 PRO 208 HB2 -0.16 0.05 -0.08 -0.04 2.28 2.06 2b6pA1 PRO 208 HB3 -0.08 0.07 -0.17 -0.04 2.02 1.81 2b6pA1 PRO 208 HG2 -0.13 0.17 -0.15 -0.04 2.03 1.88 2b6pA1 PRO 208 HG3 -0.07 -0.07 -0.02 -0.04 2.03 1.83 2b6pA1 PRO 208 HD2 -0.17 0.08 -0.59 -0.04 3.68 2.95 2b6pA1 PRO 208 HD3 -0.14 0.13 0.03 -0.04 3.65 3.64 2b6pA1 VAL 209 H -0.15 0.51 -0.31 -0.55 8.24 7.74 2b6pA1 VAL 209 HA -0.14 -0.01 0.40 -0.75 4.13 3.63 2b6pA1 VAL 209 HB -0.22 0.13 0.17 -0.04 2.12 2.16 2b6pA1 VAL 209 HG13 -0.68 -0.01 -0.15 -0.04 0.97 0.09 2b6pA1 VAL 209 HG23 -0.17 -0.02 0.03 -0.04 0.95 0.74 2b6pA1 ILE 210 H -0.13 0.70 -0.06 -0.55 8.25 8.20 2b6pA1 ILE 210 HA -0.03 0.02 0.47 -0.75 4.18 3.89 2b6pA1 ILE 210 HB -0.08 0.10 0.20 -0.04 1.89 2.08 2b6pA1 ILE 210 HG12 -0.05 -0.04 0.03 -0.04 1.49 1.39 2b6pA1 ILE 210 HG13 -0.13 0.09 0.13 -0.04 1.21 1.26 2b6pA1 ILE 210 HG23 -0.03 -0.02 -0.09 -0.04 0.93 0.76 2b6pA1 ILE 210 HD13 -0.05 -0.03 -0.03 -0.04 0.88 0.74 2b6pA1 GLY 211 H -0.07 0.89 0.05 -0.55 8.43 8.75 2b6pA1 GLY 211 HA2 -0.10 -0.02 0.41 -0.51 4.01 3.79 2b6pA1 GLY 211 HA3 -0.07 0.11 0.39 -0.51 4.01 3.93 2b6pA1 ALA 212 H -0.04 0.89 -0.17 -0.55 8.40 8.54 2b6pA1 ALA 212 HA -0.14 -0.00 0.37 -0.75 4.34 3.81 2b6pA1 ALA 212 HB3 0.03 -0.01 0.09 -0.04 1.41 1.48 2b6pA1 GLY 213 H 0.07 0.54 -0.22 -0.55 8.43 8.27 2b6pA1 GLY 213 HA2 -0.05 0.02 0.43 -0.51 4.01 3.91 2b6pA1 GLY 213 HA3 0.13 0.05 0.33 -0.51 4.01 4.00 2b6pA1 LEU 214 H -0.07 0.69 -0.04 -0.55 8.37 8.41 2b6pA1 LEU 214 HA -0.08 0.01 0.48 -0.75 4.35 3.99 2b6pA1 LEU 214 HB2 -0.12 0.12 0.17 -0.04 1.64 1.77 2b6pA1 LEU 214 HB3 -0.15 -0.03 -0.03 -0.04 1.64 1.39 2b6pA1 LEU 214 HG -0.08 -0.03 0.02 -0.04 1.64 1.51 2b6pA1 LEU 214 HD13 -0.03 0.02 -0.03 -0.04 0.93 0.86 2b6pA1 LEU 214 HD23 -0.09 -0.01 -0.09 -0.04 0.89 0.65 2b6pA1 GLY 215 H -0.20 0.58 -0.18 -0.55 8.43 8.08 2b6pA1 GLY 215 HA2 -0.21 0.01 0.43 -0.51 4.01 3.73 2b6pA1 GLY 215 HA3 -0.32 0.07 0.31 -0.51 4.01 3.57 2b6pA1 SER 216 H -0.46 0.55 -0.12 -0.55 8.46 7.88 2b6pA1 SER 216 HA -1.32 0.01 0.37 -0.75 4.49 2.78 2b6pA1 SER 216 HB2 -0.64 -0.01 0.15 -0.04 3.95 3.41 2b6pA1 SER 216 HB3 -0.35 0.06 0.15 -0.04 3.93 3.74 2b6pA1 LEU 217 H -0.24 0.50 -0.27 -0.55 8.37 7.81 2b6pA1 LEU 217 HA -0.33 0.03 0.39 -0.75 4.35 3.69 2b6pA1 LEU 217 HB2 -0.09 0.10 0.24 -0.04 1.64 1.85 2b6pA1 LEU 217 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.54 2b6pA1 LEU 217 HG 0.12 -0.04 -0.00 -0.04 1.64 1.68 2b6pA1 LEU 217 HD13 -0.15 0.04 -0.03 -0.04 0.93 0.75 2b6pA1 LEU 217 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.78 2b6pA1 LEU 218 H -0.11 0.87 0.06 -0.55 8.37 8.65 2b6pA1 LEU 218 HA -0.02 -0.04 0.24 -0.75 4.35 3.78 2b6pA1 LEU 218 HB2 -0.08 0.02 0.13 -0.04 1.64 1.66 2b6pA1 LEU 218 HB3 -0.09 0.07 0.13 -0.04 1.64 1.71 2b6pA1 LEU 218 HG -0.01 -0.01 -0.16 -0.04 1.64 1.42 2b6pA1 LEU 218 HD13 -0.02 -0.02 0.03 -0.04 0.93 0.87 2b6pA1 LEU 218 HD23 -0.07 -0.02 -0.05 -0.04 0.89 0.71 2b6pA1 TYR 219 H -0.03 0.49 -0.56 -0.55 8.29 7.64 2b6pA1 TYR 219 HA -0.00 -0.06 0.57 -0.75 4.56 4.32 2b6pA1 TYR 219 HB2 -0.12 0.04 0.10 -0.04 3.06 3.03 2b6pA1 TYR 219 HB3 -0.09 0.04 0.16 -0.04 2.98 3.04 2b6pA1 TYR 219 HD2 0.12 -0.00 -0.06 -0.04 7.15 7.16 2b6pA1 TYR 219 HE2 0.08 -0.00 -0.06 -0.04 6.85 6.82 2b6pA1 ASP 220 H 0.03 0.56 0.12 -0.55 8.40 8.56 2b6pA1 ASP 220 HA -0.05 0.07 0.31 -0.75 4.63 4.21 2b6pA1 ASP 220 HB2 -0.48 0.12 0.15 -0.04 2.71 2.45 2b6pA1 ASP 220 HB3 -0.26 -0.07 0.06 -0.04 2.70 2.38 2b6pA1 PHE 221 H -0.03 0.80 -0.20 -0.55 8.34 8.36 2b6pA1 PHE 221 HA -0.02 0.14 0.90 -0.75 4.62 4.89 2b6pA1 PHE 221 HB2 -0.02 0.05 0.02 -0.04 3.15 3.16 2b6pA1 PHE 221 HB3 -0.01 -0.06 0.16 -0.04 3.06 3.10 2b6pA1 PHE 221 HD2 -0.01 0.07 -0.16 -0.04 7.28 7.14 2b6pA1 PHE 221 HE2 -0.01 -0.01 -0.04 -0.04 7.38 7.28 2b6pA1 PHE 221 HZ -0.00 0.01 -0.02 -0.04 7.32 7.26 2b6pA1 LEU 222 H 0.04 0.28 -0.51 -0.55 8.37 7.64 2b6pA1 LEU 222 HA 0.04 0.01 0.47 -0.75 4.35 4.12 2b6pA1 LEU 222 HB2 0.05 0.10 -0.23 -0.04 1.64 1.52 2b6pA1 LEU 222 HB3 0.02 0.27 0.06 -0.04 1.64 1.95 2b6pA1 LEU 222 HG 0.01 0.01 -0.17 -0.04 1.64 1.45 2b6pA1 LEU 222 HD13 0.01 -0.02 0.03 -0.04 0.93 0.92 2b6pA1 LEU 222 HD23 0.01 -0.03 -0.01 -0.04 0.89 0.81 2b6pA1 LEU 223 H -0.02 0.57 0.28 -0.55 8.37 8.65 2b6pA1 LEU 223 HA -0.02 -0.01 0.47 -0.75 4.35 4.04 2b6pA1 LEU 223 HB2 -0.11 -0.01 0.27 -0.04 1.64 1.75 2b6pA1 LEU 223 HB3 -0.02 -0.05 0.04 -0.04 1.64 1.58 2b6pA1 LEU 223 HG 0.01 0.22 0.13 -0.04 1.64 1.95 2b6pA1 LEU 223 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.85 2b6pA1 LEU 223 HD23 0.00 -0.02 0.00 -0.04 0.89 0.83 2b6pA1 PHE 224 H -0.30 0.41 -0.02 -0.55 8.34 7.88 2b6pA1 PHE 224 HA -0.15 0.17 0.79 -0.75 4.62 4.68 2b6pA1 PHE 224 HB2 -0.27 -0.05 -0.11 -0.04 3.15 2.68 2b6pA1 PHE 224 HB3 -0.77 -0.04 0.10 -0.04 3.06 2.31 2b6pA1 PHE 224 HD2 -0.01 0.04 -0.04 -0.04 7.28 7.23 2b6pA1 PHE 224 HE2 0.02 -0.01 -0.07 -0.04 7.38 7.27 2b6pA1 PHE 224 HZ 0.01 0.00 0.01 -0.04 7.32 7.31 2b6pA1 PRO 225 HA 0.02 0.43 0.46 -0.51 4.44 4.84 2b6pA1 PRO 225 HB2 0.06 -0.07 0.04 -0.04 2.28 2.27 2b6pA1 PRO 225 HB3 0.08 -0.01 0.04 -0.04 2.02 2.09 2b6pA1 PRO 225 HG2 0.05 0.00 -0.05 -0.04 2.03 1.99 2b6pA1 PRO 225 HG3 0.07 -0.03 -0.21 -0.04 2.03 1.81 2b6pA1 PRO 225 HD2 0.14 0.06 -0.00 -0.04 3.68 3.84 2b6pA1 PRO 225 HD3 0.05 0.26 -0.78 -0.04 3.65 3.14 2b6pA1 ARG 226 H 0.02 0.37 0.16 -0.55 8.46 8.45 2b6pA1 ARG 226 HA -0.11 0.13 0.78 -0.75 4.34 4.38 2b6pA1 ARG 226 HB2 -0.11 0.07 0.05 -0.04 1.90 1.88 2b6pA1 ARG 226 HB3 -0.01 -0.00 0.24 -0.04 1.80 1.98 2b6pA1 ARG 226 HG2 -0.02 0.01 0.06 -0.04 1.67 1.68 2b6pA1 ARG 226 HG3 -0.06 -0.01 0.02 -0.04 1.67 1.58 2b6pA1 ARG 226 HD2 -0.05 -0.01 0.02 -0.04 3.22 3.14 2b6pA1 ARG 226 HD3 -0.10 -0.03 0.03 -0.04 3.22 3.07 2b6pA1 LEU 227 H 0.01 0.18 -0.24 -0.55 8.37 7.77 2b6pA1 LEU 227 HA 0.08 0.01 0.38 -0.75 4.35 4.06 2b6pA1 LEU 227 HB2 0.02 -0.00 0.10 -0.04 1.64 1.71 2b6pA1 LEU 227 HB3 0.02 -0.04 -0.05 -0.04 1.64 1.53 2b6pA1 LEU 227 HG 0.03 0.03 -0.01 -0.04 1.64 1.65 2b6pA1 LEU 227 HD13 0.03 -0.01 -0.11 -0.04 0.93 0.80 2b6pA1 LEU 227 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 2b6pA1 LYS 228 H 0.08 0.22 0.23 -0.55 8.42 8.40 2b6pA1 LYS 228 HA 0.02 0.11 0.91 -0.75 4.32 4.60 2b6pA1 LYS 228 HB2 0.07 -0.01 0.09 -0.04 1.87 1.98 2b6pA1 LYS 228 HB3 0.03 -0.08 -0.00 -0.04 1.79 1.70 2b6pA1 LYS 228 HG2 0.01 -0.03 -0.11 -0.04 1.46 1.29 2b6pA1 LYS 228 HG3 0.04 0.36 -0.21 -0.04 1.46 1.61 2b6pA1 LYS 228 HD2 0.04 0.01 0.01 -0.04 1.69 1.70 2b6pA1 LYS 228 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.58 2b6pA1 LYS 228 HE2 -0.01 -0.11 -0.01 -0.04 2.99 2.82 2b6pA1 LYS 228 HE3 0.00 0.02 0.02 -0.04 2.99 2.99 2b6pA1 SER 229 H 0.01 0.14 0.14 -0.55 8.46 8.21 2b6pA1 SER 229 HA 0.01 0.14 0.53 -0.75 4.49 4.42 2b6pA1 SER 229 HB2 0.00 -0.01 0.14 -0.04 3.95 4.03 2b6pA1 SER 229 HB3 0.00 0.12 0.13 -0.04 3.93 4.13 2b6pA1 VAL 230 H 0.00 0.19 0.19 -0.55 8.24 8.07 2b6pA1 VAL 230 HA 0.02 0.11 0.35 -0.75 4.13 3.85 2b6pA1 VAL 230 HB 0.00 -0.02 0.07 -0.04 2.12 2.13 2b6pA1 VAL 230 HG13 0.01 0.02 0.01 -0.04 0.97 0.96 2b6pA1 VAL 230 HG23 -0.00 0.02 0.11 -0.04 0.95 1.04 2b6pA1 SER 231 H 0.01 -0.03 -0.53 -0.55 8.46 7.36 2b6pA1 SER 231 HA 0.00 0.08 0.35 -0.75 4.49 4.17 2b6pA1 SER 231 HB2 0.00 -0.12 0.11 -0.04 3.95 3.90 2b6pA1 SER 231 HB3 0.00 0.11 0.02 -0.04 3.93 4.02 2b6pA1 GLU 232 H 0.01 0.04 -0.01 -0.55 8.60 8.09 2b6pA1 GLU 232 HA 0.00 0.07 0.34 -0.75 4.29 3.94 2b6pA1 GLU 232 HB2 0.00 0.10 -0.02 -0.04 2.09 2.14 2b6pA1 GLU 232 HB3 0.00 -0.02 0.11 -0.04 1.99 2.05 2b6pA1 GLU 232 HG2 0.01 -0.09 0.20 -0.04 2.34 2.42 2b6pA1 GLU 232 HG3 0.02 0.10 -0.03 -0.04 2.34 2.40 2b6pA1 ARG 233 H 0.02 0.49 -0.33 -0.55 8.46 8.08 2b6pA1 ARG 233 HA 0.02 0.11 0.34 -0.75 4.34 4.05 2b6pA1 ARG 233 HB2 0.03 0.01 0.10 -0.04 1.90 2.00 2b6pA1 ARG 233 HB3 0.03 -0.02 -0.02 -0.04 1.80 1.75 2b6pA1 ARG 233 HG2 0.04 0.07 -0.37 -0.04 1.67 1.37 2b6pA1 ARG 233 HG3 0.06 -0.05 -0.14 -0.04 1.67 1.50 2b6pA1 ARG 233 HD2 0.06 -0.00 -0.06 -0.04 3.22 3.18 2b6pA1 ARG 233 HD3 0.04 0.02 -0.04 -0.04 3.22 3.20 2b6pA1 LEU 234 H 0.01 0.63 -0.02 -0.55 8.37 8.45 2b6pA1 LEU 234 HA 0.01 -0.05 0.44 -0.75 4.35 3.99 2b6pA1 LEU 234 HB2 0.01 0.21 0.21 -0.04 1.64 2.03 2b6pA1 LEU 234 HB3 0.01 -0.02 -0.00 -0.04 1.64 1.58 2b6pA1 LEU 234 HG 0.01 -0.05 0.03 -0.04 1.64 1.59 2b6pA1 LEU 234 HD13 0.01 -0.02 0.03 -0.04 0.93 0.91 2b6pA1 LEU 234 HD23 0.01 0.04 0.08 -0.04 0.89 0.99 2b6pA1 SER 235 H 0.01 0.54 -0.21 -0.55 8.46 8.25 2b6pA1 SER 235 HA 0.00 0.07 0.41 -0.75 4.49 4.21 2b6pA1 SER 235 HB2 0.00 0.03 0.05 -0.04 3.95 3.99 2b6pA1 SER 235 HB3 -0.00 -0.01 0.08 -0.04 3.93 3.96 2b6pA1 ILE 236 H 0.00 0.41 -0.68 -0.55 8.25 7.43 2b6pA1 ILE 236 HA -0.00 0.08 0.77 -0.75 4.18 4.27 2b6pA1 ILE 236 HB 0.00 0.26 0.22 -0.04 1.89 2.33 2b6pA1 ILE 236 HG12 -0.01 -0.11 -0.09 -0.04 1.49 1.24 2b6pA1 ILE 236 HG13 -0.00 0.23 -0.09 -0.04 1.21 1.31 2b6pA1 ILE 236 HG23 -0.01 0.04 -0.46 -0.04 0.93 0.46 2b6pA1 ILE 236 HD13 -0.00 0.05 -0.06 -0.04 0.88 0.82 2b6pA1 LEU 237 H 0.00 0.43 0.14 -0.55 8.37 8.40 2b6pA1 LEU 237 HA 0.00 -0.01 0.73 -0.75 4.35 4.32 2b6pA1 LEU 237 HB2 0.01 -0.17 0.30 -0.04 1.64 1.74 2b6pA1 LEU 237 HB3 0.00 0.11 0.18 -0.04 1.64 1.89 2b6pA1 LEU 237 HG 0.01 -0.05 0.06 -0.04 1.64 1.62 2b6pA1 LEU 237 HD13 0.01 0.02 0.08 -0.04 0.93 0.99 2b6pA1 LEU 237 HD23 0.01 0.02 -0.09 -0.04 0.89 0.80 2b6pA1 LYS 238 H 0.00 0.05 -1.02 -0.55 8.42 6.90 2b6pA1 LYS 238 HA 0.01 0.01 0.80 -0.75 4.32 4.39 2b6pA1 LYS 238 HB2 0.00 0.22 -0.03 -0.04 1.87 2.02 2b6pA1 LYS 238 HB3 0.00 -0.01 0.00 -0.04 1.79 1.74 2b6pA1 LYS 238 HG2 0.01 -0.06 0.03 -0.04 1.46 1.40 2b6pA1 LYS 238 HG3 0.01 -0.01 -0.29 -0.04 1.46 1.13 2b6pA1 LYS 238 HD2 0.00 0.08 -0.06 -0.04 1.69 1.68 2b6pA1 LYS 238 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2b6pA1 LYS 238 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.91 2b6pA1 LYS 238 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.92 2b6pA1 GLY 239 H 0.00 0.06 -0.13 -0.55 8.43 7.82 2b6pA1 GLY 239 HA2 0.00 0.07 0.33 -0.51 4.01 3.90 2b6pA1 GLY 239 HA3 0.01 -0.06 0.45 -0.51 4.01 3.90 2b6pA1 SER 240 H 0.00 0.04 0.10 -0.55 8.46 8.05 2b6pA1 SER 240 HA -0.02 -0.09 0.34 -0.75 4.49 3.97 2b6pA1 SER 240 HB2 -0.03 -0.03 -0.05 -0.04 3.95 3.79 2b6pA1 SER 240 HB3 -0.02 0.24 -0.05 -0.04 3.93 4.07 2b6pA1 ARG 241 H -0.00 0.17 0.08 -0.55 8.46 8.16 2b6pA1 ARG 241 HA -0.01 0.16 0.65 -0.75 4.34 4.39 2b6pA1 ARG 241 HB2 -0.00 -0.07 -0.05 -0.04 1.90 1.74 2b6pA1 ARG 241 HB3 -0.00 -0.02 0.01 -0.04 1.80 1.75 2b6pA1 ARG 241 HG2 -0.00 0.08 -0.04 -0.04 1.67 1.66 2b6pA1 ARG 241 HG3 -0.00 -0.02 -1.10 -0.04 1.67 0.50 2b6pA1 ARG 241 HD2 -0.00 0.50 -0.09 -0.04 3.22 3.58 2b6pA1 ARG 241 HD3 -0.00 -0.13 -0.12 -0.04 3.22 2.92 2b6pA1 PRO 242 HA -0.01 0.18 0.36 -0.51 4.44 4.46 2b6pA1 PRO 242 HB2 -0.00 0.05 0.10 -0.04 2.28 2.39 2b6pA1 PRO 242 HB3 -0.00 0.04 0.06 -0.04 2.02 2.07 2b6pA1 PRO 242 HG2 -0.00 0.02 -0.11 -0.04 2.03 1.90 2b6pA1 PRO 242 HG3 -0.00 0.04 -0.02 -0.04 2.03 2.00 2b6pA1 PRO 242 HD2 -0.00 0.00 0.39 -0.04 3.68 4.03 2b6pA1 PRO 242 HD3 -0.00 0.17 -0.26 -0.04 3.65 3.52 2b6pA1 SER 243 H -0.01 0.11 -0.04 -0.55 8.46 7.98 2b6pA1 SER 243 HA -0.01 0.21 0.68 -0.75 4.49 4.62 2b6pA1 SER 243 HB2 -0.01 -0.17 0.19 -0.04 3.95 3.93 2b6pA1 SER 243 HB3 -0.00 0.04 0.08 -0.04 3.93 4.00 2b6pA1 GLU 244 H -0.01 0.15 0.08 -0.55 8.60 8.27 2b6pA1 GLU 244 HA -0.01 -0.01 0.37 -0.75 4.29 3.88 2b6pA1 GLU 244 HB2 -0.02 0.31 0.43 -0.04 2.09 2.77 2b6pA1 GLU 244 HB3 -0.02 -0.05 0.04 -0.04 1.99 1.92 2b6pA1 GLU 244 HG2 -0.02 -0.03 -0.08 -0.04 2.34 2.16 2b6pA1 GLU 244 HG3 -0.02 -0.09 -0.60 -0.04 2.34 1.59 2b6pA1 SER 245 H -0.01 0.20 -0.58 -0.55 8.46 7.53 2b6pA1 SER 245 HA -0.01 0.01 0.30 -0.75 4.49 4.03 2b6pA1 SER 245 HB2 -0.01 0.01 -0.07 -0.04 3.95 3.84 2b6pA1 SER 245 HB3 -0.01 -0.01 0.07 -0.04 3.93 3.94 2b6pA1 ASN 246 H -0.01 0.12 0.19 -0.55 8.53 8.28 2b6pA1 ASN 246 HA -0.01 0.22 0.92 -0.75 4.76 5.13 2b6pA1 ASN 246 HB2 -0.01 0.07 0.00 -0.04 2.88 2.91 2b6pA1 ASN 246 HB3 -0.01 -0.03 0.09 -0.04 2.79 2.79 2b6pA1 ASN 246 HD21 -0.01 -0.03 0.01 -0.04 7.03 6.96 2b6pA1 ASN 246 HD22 -0.01 0.06 0.01 -0.04 7.74 7.76 2b6pA1 GLY 247 H -0.01 0.13 0.04 -0.55 8.43 8.05 2b6pA1 GLY 247 HA2 -0.00 -0.05 0.38 -0.51 4.01 3.82 2b6pA1 GLY 247 HA3 -0.00 0.15 0.86 -0.51 4.01 4.50 2b6pA1 GLN 248 H -0.00 0.10 0.14 -0.55 8.47 8.16 2b6pA1 GLN 248 HA -0.00 0.11 0.47 -0.75 4.36 4.18 2b6pA1 GLN 248 HB2 -0.00 -0.05 0.16 -0.04 2.15 2.21 2b6pA1 GLN 248 HB3 -0.00 0.02 0.17 -0.04 2.02 2.17 2b6pA1 GLN 248 HG2 -0.00 0.01 0.05 -0.04 2.40 2.41 2b6pA1 GLN 248 HG3 -0.00 -0.02 0.02 -0.04 2.39 2.35 2b6pA1 GLN 248 HE21 -0.00 0.01 -0.06 -0.04 6.97 6.88 2b6pA1 GLN 248 HE22 -0.00 -0.03 -0.02 -0.04 7.69 7.60 2b6pA1 PRO 249 HA -0.00 0.16 0.62 -0.51 4.44 4.71 2b6pA1 PRO 249 HB2 -0.00 0.04 -0.09 -0.04 2.28 2.19 2b6pA1 PRO 249 HB3 -0.00 0.04 0.06 -0.04 2.02 2.08 2b6pA1 PRO 249 HG2 -0.00 0.03 0.03 -0.04 2.03 2.05 2b6pA1 PRO 249 HG3 -0.00 0.05 -0.01 -0.04 2.03 2.03 2b6pA1 PRO 249 HD2 -0.00 0.02 0.14 -0.04 3.68 3.79 2b6pA1 PRO 249 HD3 -0.00 0.02 0.20 -0.04 3.65 3.83 2b6pA1 GLU 250 H -0.00 -0.12 -0.31 -0.55 8.60 7.62 2b6pA1 GLU 250 HA -0.00 -0.06 0.29 -0.75 4.29 3.76 2b6pA1 GLU 250 HB2 -0.00 0.15 -0.43 -0.04 2.09 1.77 2b6pA1 GLU 250 HB3 -0.00 0.17 -0.13 -0.04 1.99 1.98 2b6pA1 GLU 250 HG2 -0.00 0.01 -0.29 -0.04 2.34 2.02 2b6pA1 GLU 250 HG3 -0.00 0.08 -0.12 -0.04 2.34 2.25 2b6pA1 VAL 251 H -0.00 0.12 0.07 -0.55 8.24 7.88 2b6pA1 VAL 251 HA -0.00 0.02 0.38 -0.75 4.13 3.77 2b6pA1 VAL 251 HB -0.00 0.02 0.14 -0.04 2.12 2.24 2b6pA1 VAL 251 HG13 -0.00 -0.02 0.05 -0.04 0.97 0.95 2b6pA1 VAL 251 HG23 -0.00 0.01 0.16 -0.04 0.95 1.08 2b6pA1 THR 252 H -0.00 0.44 0.21 -0.55 8.28 8.38 2b6pA1 THR 252 HA -0.00 0.09 0.63 -0.75 4.39 4.35 2b6pA1 THR 252 HB -0.00 0.07 0.09 -0.04 4.32 4.43 2b6pA1 THR 252 HG23 -0.00 -0.02 -0.06 -0.04 1.22 1.10 2b6pA1 GLY 253 H -0.00 0.19 0.04 -0.55 8.43 8.12 2b6pA1 GLY 253 HA2 -0.00 -0.00 0.29 -0.51 4.01 3.79 2b6pA1 GLY 253 HA3 -0.00 0.17 0.60 -0.51 4.01 4.27 2b6pA1 GLU 254 H -0.00 0.14 0.09 -0.55 8.60 8.28 2b6pA1 GLU 254 HA -0.00 0.08 0.38 -0.75 4.29 3.99 2b6pA1 GLU 254 HB2 -0.00 0.13 -0.29 -0.04 2.09 1.89 2b6pA1 GLU 254 HB3 -0.00 -0.05 0.05 -0.04 1.99 1.95 2b6pA1 GLU 254 HG2 -0.00 -0.00 -0.04 -0.04 2.34 2.26 2b6pA1 GLU 254 HG3 -0.00 0.01 -0.05 -0.04 2.34 2.25 2b6pA1 PRO 255 HA -0.00 0.04 0.41 -0.51 4.44 4.38 2b6pA1 PRO 255 HB2 -0.00 0.04 0.23 -0.04 2.28 2.51 2b6pA1 PRO 255 HB3 -0.00 0.04 0.10 -0.04 2.02 2.12 2b6pA1 PRO 255 HG2 -0.00 0.07 0.07 -0.04 2.03 2.13 2b6pA1 PRO 255 HG3 -0.00 0.06 -0.01 -0.04 2.03 2.04 2b6pA1 PRO 255 HD2 -0.00 0.13 0.13 -0.04 3.68 3.90 2b6pA1 PRO 255 HD3 -0.00 0.02 0.16 -0.04 3.65 3.79 2b6pA1 VAL 256 H -0.00 0.47 0.23 -0.55 8.24 8.39 2b6pA1 VAL 256 HA -0.00 0.25 0.83 -0.75 4.13 4.45 2b6pA1 VAL 256 HB -0.00 0.02 -0.09 -0.04 2.12 2.01 2b6pA1 VAL 256 HG13 -0.00 0.03 0.05 -0.04 0.97 1.01 2b6pA1 VAL 256 HG23 -0.00 0.00 0.10 -0.04 0.95 1.01 2b6pA1 GLU 257 H -0.00 0.15 -0.31 -0.55 8.60 7.89 2b6pA1 GLU 257 HA -0.00 0.05 0.28 -0.75 4.29 3.86 2b6pA1 GLU 257 HB2 -0.00 0.01 -0.13 -0.04 2.09 1.92 2b6pA1 GLU 257 HB3 -0.00 0.31 0.02 -0.04 1.99 2.27 2b6pA1 GLU 257 HG2 -0.00 0.02 0.03 -0.04 2.34 2.35 2b6pA1 GLU 257 HG3 -0.00 -0.02 0.15 -0.04 2.34 2.43 2b6pA1 LEU 258 H -0.00 0.06 -0.60 -0.55 8.37 7.28 2b6pA1 LEU 258 HA -0.00 0.15 0.37 -0.75 4.35 4.11 2b6pA1 LEU 258 HB2 -0.00 -0.01 0.20 -0.04 1.64 1.79 2b6pA1 LEU 258 HB3 -0.00 0.09 0.07 -0.04 1.64 1.76 2b6pA1 LEU 258 HG -0.00 -0.07 -0.02 -0.04 1.64 1.51 2b6pA1 LEU 258 HD13 -0.00 0.00 -0.20 -0.04 0.93 0.69 2b6pA1 LEU 258 HD23 -0.00 0.05 0.04 -0.04 0.89 0.94 2b6pA1 LYS 259 H -0.00 0.23 -1.53 -0.55 8.42 6.57 2b6pA1 LYS 259 HA -0.00 0.07 0.28 -0.75 4.32 3.92 2b6pA1 LYS 259 HB2 -0.00 0.04 -0.12 -0.04 1.87 1.75 2b6pA1 LYS 259 HB3 -0.00 0.03 0.56 -0.04 1.79 2.34 2b6pA1 LYS 259 HG2 -0.00 -0.01 -0.28 -0.04 1.46 1.13 2b6pA1 LYS 259 HG3 -0.00 0.02 -0.03 -0.04 1.46 1.40 2b6pA1 LYS 259 HD2 -0.00 0.04 -0.01 -0.04 1.69 1.67 2b6pA1 LYS 259 HD3 -0.00 -0.07 -0.01 -0.04 1.68 1.56 2b6pA1 LYS 259 HE2 -0.00 -0.03 -0.10 -0.04 2.99 2.82 2b6pA1 LYS 259 HE3 -0.00 0.03 -0.05 -0.04 2.99 2.93 2b6pA1 THR 260 H -0.00 -0.02 -0.03 -0.55 8.28 7.69 2b6pA1 THR 260 HA -0.00 0.02 0.15 -0.75 4.39 3.80 2b6pA1 THR 260 HB -0.00 0.25 0.08 -0.04 4.32 4.60 2b6pA1 THR 260 HG23 -0.00 -0.01 -0.57 -0.04 1.22 0.60 2b6pA1 GLN 261 H -0.00 -0.02 0.09 -0.55 8.47 7.99 2b6pA1 GLN 261 HA -0.00 -0.01 0.36 -0.75 4.36 3.95 2b6pA1 GLN 261 HB2 -0.00 -0.09 -0.10 -0.04 2.15 1.92 2b6pA1 GLN 261 HB3 -0.00 0.25 0.06 -0.04 2.02 2.29 2b6pA1 GLN 261 HG2 -0.00 0.19 -0.15 -0.04 2.40 2.39 2b6pA1 GLN 261 HG3 -0.00 0.03 0.20 -0.04 2.39 2.57 2b6pA1 GLN 261 HE21 -0.00 -0.04 0.02 -0.04 6.97 6.91 2b6pA1 GLN 261 HE22 -0.00 0.04 0.01 -0.04 7.69 7.69 2b6pA1 ALA 262 H -0.00 -0.08 -0.13 -0.55 8.40 7.64 2b6pA1 ALA 262 HA -0.00 -0.07 0.31 -0.75 4.34 3.82 2b6pA1 ALA 262 HB3 -0.00 0.11 0.13 -0.04 1.41 1.60 2b6pA1 LEU 263 H -0.00 0.10 -0.01 -0.55 8.37 7.91 2b6pA1 LEU 263 HA -0.00 0.07 0.12 -0.75 4.35 3.79 2b6pA1 LEU 263 HB2 -0.00 -0.05 0.05 -0.04 1.64 1.60 2b6pA1 LEU 263 HB3 -0.00 0.05 0.04 -0.04 1.64 1.69 2b6pA1 LEU 263 HG 0.00 -0.03 -0.03 -0.04 1.64 1.54 2b6pA1 LEU 263 HD13 0.00 0.00 -0.01 -0.04 0.93 0.88 2b6pA1 LEU 263 HD23 0.00 0.02 -0.01 -0.04 0.89 0.87