============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 5 0.840 -0.668 15.967 78.177 -99.200 -91.000 TYR 7 0.840 -10.577 22.788 77.356 -99.200 -91.000 TYR 10 0.840 -4.484 19.279 75.757 -99.200 -91.000 TRP 16 1.040 3.583 28.571 84.297 -99.200 -91.000 TRP6 16 1.020 5.637 28.672 83.086 -99.200 -91.000 HIS 20 0.900 5.178 32.431 84.365 -99.200 -91.000 HIS 23 0.900 7.167 38.256 73.172 -99.200 -91.000 PHE 48 1.000 8.574 31.248 78.690 -99.200 -91.000 TYR 50 0.840 10.317 21.993 74.166 -99.200 -91.000 PHE 56 1.000 5.628 22.316 76.043 -99.200 -91.000 HIS 60 0.900 20.260 17.066 74.514 -99.200 -91.000 PHE 66 1.000 5.738 32.286 73.799 -99.200 -91.000 PHE 68 1.000 6.531 41.315 68.359 -99.200 -91.000 PHE 81 1.000 8.246 16.989 73.050 -99.200 -91.000 HIS 82 0.900 11.233 13.621 66.123 -99.200 -91.000 TYR 84 0.840 12.420 9.289 65.841 -99.200 -91.000 TYR 87 0.840 8.437 11.815 73.748 -99.200 -91.000 TRP 90 1.040 -1.615 10.080 74.707 -99.200 -91.000 TRP6 90 1.020 -0.546 10.745 76.760 -99.200 -91.000 PHE 94 1.000 0.720 19.681 76.711 -99.200 -91.000 PHE 99 1.000 2.640 25.735 69.757 -99.200 -91.000 HIS 100 0.900 -7.782 26.313 69.526 -99.200 -91.000 PHE 120 1.000 10.421 16.261 44.924 -99.200 -91.000 HIS 131 0.900 -1.516 14.354 56.167 -99.200 -91.000 PHE 137 1.000 -4.096 4.937 55.274 -99.200 -91.000 PHE 151 1.000 -8.481 20.939 72.861 -99.200 -91.000 PHE 155 1.000 -16.884 10.134 63.323 -99.200 -91.000 TYR 162 0.840 -0.444 19.527 54.607 -99.200 -91.000 TRP 174 1.040 11.564 29.130 44.910 -99.200 -91.000 TRP6 174 1.020 12.939 28.629 46.771 -99.200 -91.000 TYR 188 0.840 6.209 14.181 55.676 -99.200 -91.000 PHE 196 1.000 17.644 7.253 57.671 -99.200 -91.000 HIS 226 0.900 -10.187 17.707 67.026 -99.200 -91.000 PHE 232 1.000 3.933 27.149 53.863 -99.200 -91.000 PHE 234 1.000 9.430 25.040 54.418 -99.200 -91.000 TYR 245 0.840 17.071 -4.616 45.717 -99.200 -91.000 PHE 253 1.000 20.433 13.056 62.434 -99.200 -91.000 PHE 270 1.000 10.043 29.572 51.064 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2on6A1 MET 1 HA 0.02 -0.08 0.17 -0.75 4.52 3.88 2on6A1 MET 1 HB2 0.10 -0.02 -0.03 -0.04 2.15 2.16 2on6A1 MET 1 HB3 0.05 -0.03 0.02 -0.04 2.03 2.03 2on6A1 MET 1 HG2 0.07 -0.02 -0.08 -0.04 2.63 2.55 2on6A1 MET 1 HG3 0.03 -0.01 -0.05 -0.04 2.56 2.49 2on6A1 MET 1 HE3 0.23 0.00 -0.21 -0.04 2.10 2.08 2on6A1 GLU 2 H -0.08 0.17 0.09 -0.55 8.60 8.23 2on6A1 GLU 2 HA -0.13 0.08 -0.25 -0.75 4.29 3.24 2on6A1 GLU 2 HB2 -0.14 -0.07 0.26 -0.04 2.09 2.10 2on6A1 GLU 2 HB3 -0.09 0.23 0.42 -0.04 1.99 2.51 2on6A1 GLU 2 HG2 -0.21 0.20 -0.05 -0.04 2.34 2.24 2on6A1 GLU 2 HG3 -0.11 -0.05 0.04 -0.04 2.34 2.18 2on6A1 ASN 3 H -0.35 0.21 0.09 -0.55 8.53 7.93 2on6A1 ASN 3 HA -2.18 -0.06 0.50 -0.75 4.76 2.27 2on6A1 ASN 3 HB2 -0.24 0.12 0.16 -0.04 2.88 2.88 2on6A1 ASN 3 HB3 -0.30 0.09 0.10 -0.04 2.79 2.64 2on6A1 ASN 3 HD21 0.41 -0.00 0.00 -0.04 7.03 7.40 2on6A1 ASN 3 HD22 0.11 0.08 0.02 -0.04 7.74 7.91 2on6A1 GLY 4 H -4.35 0.07 0.16 -0.55 8.43 3.77 2on6A1 GLY 4 HA2 -0.69 0.12 0.57 -0.51 4.01 3.49 2on6A1 GLY 4 HA3 -1.11 -0.00 0.32 -0.51 4.01 2.71 2on6A1 TYR 5 H -0.59 0.01 -0.27 -0.55 8.29 6.88 2on6A1 TYR 5 HA -0.24 0.11 0.48 -0.75 4.56 4.15 2on6A1 TYR 5 HB2 -0.23 0.00 -0.01 -0.04 3.06 2.78 2on6A1 TYR 5 HB3 -0.61 0.02 -0.09 -0.04 2.98 2.26 2on6A1 TYR 5 HD2 -0.02 0.01 -0.02 -0.04 7.15 7.08 2on6A1 TYR 5 HE2 -0.22 0.04 0.04 -0.04 6.85 6.67 2on6A1 THR 6 H 0.01 0.10 0.17 -0.55 8.28 8.01 2on6A1 THR 6 HA 0.10 0.26 0.83 -0.75 4.39 4.83 2on6A1 THR 6 HB 0.08 -0.05 0.10 -0.04 4.32 4.42 2on6A1 THR 6 HG23 -0.02 0.06 -0.06 -0.04 1.22 1.16 2on6A1 TYR 7 H 0.31 0.22 0.13 -0.55 8.29 8.40 2on6A1 TYR 7 HA 0.52 0.12 0.38 -0.75 4.56 4.83 2on6A1 TYR 7 HB2 0.11 0.05 0.14 -0.04 3.06 3.32 2on6A1 TYR 7 HB3 0.06 -0.04 0.13 -0.04 2.98 3.10 2on6A1 TYR 7 HD2 -0.20 -0.01 -0.06 -0.04 7.15 6.84 2on6A1 TYR 7 HE2 -0.46 0.09 -0.07 -0.04 6.85 6.37 2on6A1 GLU 8 H 0.18 0.08 -0.20 -0.55 8.60 8.12 2on6A1 GLU 8 HA -0.01 0.08 0.35 -0.75 4.29 3.95 2on6A1 GLU 8 HB2 0.06 -0.05 0.04 -0.04 2.09 2.10 2on6A1 GLU 8 HB3 0.03 0.06 -0.08 -0.04 1.99 1.97 2on6A1 GLU 8 HG2 0.06 0.04 0.04 -0.04 2.34 2.44 2on6A1 GLU 8 HG3 0.10 -0.02 0.03 -0.04 2.34 2.41 2on6A1 ASP 9 H 0.02 0.40 -0.36 -0.55 8.40 7.91 2on6A1 ASP 9 HA 0.00 0.06 0.37 -0.75 4.63 4.32 2on6A1 ASP 9 HB2 -0.12 0.07 0.10 -0.04 2.71 2.72 2on6A1 ASP 9 HB3 -0.02 0.07 -0.07 -0.04 2.70 2.64 2on6A1 TYR 10 H -0.04 0.32 -0.05 -0.55 8.29 7.97 2on6A1 TYR 10 HA -0.11 0.07 0.41 -0.75 4.56 4.18 2on6A1 TYR 10 HB2 -0.07 0.05 0.14 -0.04 3.06 3.14 2on6A1 TYR 10 HB3 -0.05 0.08 -0.12 -0.04 2.98 2.84 2on6A1 TYR 10 HD2 -0.17 -0.00 -0.06 -0.04 7.15 6.88 2on6A1 TYR 10 HE2 0.05 -0.01 -0.10 -0.04 6.85 6.75 2on6A1 LYS 11 H -0.13 0.42 -0.05 -0.55 8.42 8.11 2on6A1 LYS 11 HA -0.08 0.06 0.41 -0.75 4.32 3.96 2on6A1 LYS 11 HB2 -0.40 0.08 0.06 -0.04 1.87 1.57 2on6A1 LYS 11 HB3 -0.08 0.10 0.12 -0.04 1.79 1.88 2on6A1 LYS 11 HG2 -0.03 -0.04 -0.03 -0.04 1.46 1.33 2on6A1 LYS 11 HG3 -0.04 0.01 0.01 -0.04 1.46 1.39 2on6A1 LYS 11 HD2 -0.44 0.03 -0.01 -0.04 1.69 1.23 2on6A1 LYS 11 HD3 0.01 -0.07 -0.04 -0.04 1.68 1.53 2on6A1 LYS 11 HE2 0.12 0.03 -0.01 -0.04 2.99 3.09 2on6A1 LYS 11 HE3 0.06 -0.03 -0.01 -0.04 2.99 2.97 2on6A1 ASN 12 H 0.00 0.64 -0.13 -0.55 8.53 8.50 2on6A1 ASN 12 HA 0.06 -0.05 0.25 -0.75 4.76 4.27 2on6A1 ASN 12 HB2 0.03 0.05 0.12 -0.04 2.88 3.04 2on6A1 ASN 12 HB3 0.05 -0.04 -0.03 -0.04 2.79 2.73 2on6A1 ASN 12 HD21 0.03 -0.08 -0.04 -0.04 7.03 6.90 2on6A1 ASN 12 HD22 0.02 -0.03 -0.06 -0.04 7.74 7.63 2on6A1 THR 13 H 0.07 0.56 -0.25 -0.55 8.28 8.10 2on6A1 THR 13 HA 0.09 0.01 0.60 -0.75 4.39 4.34 2on6A1 THR 13 HB 0.09 0.09 0.17 -0.04 4.32 4.63 2on6A1 THR 13 HG23 0.22 -0.04 -0.09 -0.04 1.22 1.26 2on6A1 ALA 14 H 0.06 0.53 -0.06 -0.55 8.40 8.38 2on6A1 ALA 14 HA 0.11 0.00 0.32 -0.75 4.34 4.03 2on6A1 ALA 14 HB3 0.04 0.03 0.00 -0.04 1.41 1.44 2on6A1 GLU 15 H 0.08 0.52 0.01 -0.55 8.60 8.66 2on6A1 GLU 15 HA 0.06 0.04 0.42 -0.75 4.29 4.06 2on6A1 GLU 15 HB2 0.10 0.06 0.08 -0.04 2.09 2.29 2on6A1 GLU 15 HB3 0.08 -0.04 -0.01 -0.04 1.99 1.98 2on6A1 GLU 15 HG2 0.04 -0.00 0.01 -0.04 2.34 2.35 2on6A1 GLU 15 HG3 0.04 0.06 0.03 -0.04 2.34 2.42 2on6A1 TRP 16 H 0.29 0.51 -0.17 -0.55 7.97 8.05 2on6A1 TRP 16 HA 0.03 -0.03 0.40 -0.75 4.62 4.27 2on6A1 TRP 16 HB2 -0.03 0.09 0.19 -0.04 3.23 3.44 2on6A1 TRP 16 HB3 -0.08 0.15 0.06 -0.04 3.23 3.32 2on6A1 TRP 16 HD1 -0.02 -0.05 0.05 -0.04 7.22 7.15 2on6A1 TRP 16 HE1 -0.08 -0.07 0.03 -0.04 10.20 10.04 2on6A1 TRP 16 HE3 -0.30 0.06 -0.23 -0.04 7.59 7.08 2on6A1 TRP 16 HZ2 -0.12 -0.08 0.05 -0.04 7.44 7.25 2on6A1 TRP 16 HZ3 -0.40 -0.05 -0.07 -0.04 7.13 6.57 2on6A1 TRP 16 HH2 0.09 -0.09 -0.02 -0.04 7.19 7.12 2on6A1 LEU 17 H 0.25 0.46 -0.25 -0.55 8.37 8.29 2on6A1 LEU 17 HA -0.18 -0.00 0.58 -0.75 4.35 3.99 2on6A1 LEU 17 HB2 0.13 0.18 0.19 -0.04 1.64 2.09 2on6A1 LEU 17 HB3 -0.01 -0.06 0.01 -0.04 1.64 1.54 2on6A1 LEU 17 HG 0.29 0.08 0.04 -0.04 1.64 2.02 2on6A1 LEU 17 HD13 0.23 -0.02 -0.09 -0.04 0.93 1.00 2on6A1 LEU 17 HD23 -0.23 -0.03 -0.03 -0.04 0.89 0.57 2on6A1 LEU 18 H 0.04 0.73 0.09 -0.55 8.37 8.69 2on6A1 LEU 18 HA -0.03 0.08 0.37 -0.75 4.35 4.02 2on6A1 LEU 18 HB2 0.02 0.01 0.15 -0.04 1.64 1.78 2on6A1 LEU 18 HB3 0.00 -0.08 0.11 -0.04 1.64 1.63 2on6A1 LEU 18 HG 0.05 0.15 -0.03 -0.04 1.64 1.77 2on6A1 LEU 18 HD13 0.03 -0.02 -0.05 -0.04 0.93 0.84 2on6A1 LEU 18 HD23 0.04 0.01 0.06 -0.04 0.89 0.96 2on6A1 SER 19 H -0.05 0.28 -0.75 -0.55 8.46 7.39 2on6A1 SER 19 HA -0.09 0.25 1.14 -0.75 4.49 5.04 2on6A1 SER 19 HB2 -0.14 -0.09 0.18 -0.04 3.95 3.86 2on6A1 SER 19 HB3 -0.07 -0.07 0.10 -0.04 3.93 3.85 2on6A1 HIS 20 H -0.09 0.67 -0.01 -0.55 8.41 8.44 2on6A1 HIS 20 HA -0.22 0.11 0.95 -0.75 4.63 4.72 2on6A1 HIS 20 HB2 -0.57 0.10 0.18 -0.04 3.26 2.94 2on6A1 HIS 20 HB3 -0.04 -0.12 0.21 -0.04 3.20 3.21 2on6A1 HIS 20 HD2 -0.31 -0.09 0.06 -0.04 6.97 6.59 2on6A1 HIS 20 HE1 -0.59 -0.09 -0.00 -0.04 7.75 7.03 2on6A1 THR 21 H -0.08 0.38 -0.08 -0.55 8.28 7.95 2on6A1 THR 21 HA -0.02 0.02 0.74 -0.75 4.39 4.38 2on6A1 THR 21 HB -0.03 0.06 -0.31 -0.04 4.32 4.00 2on6A1 THR 21 HG23 -0.46 0.07 -0.21 -0.04 1.22 0.58 2on6A1 LYS 22 H -0.03 0.07 0.16 -0.55 8.42 8.07 2on6A1 LYS 22 HA -0.07 0.18 0.56 -0.75 4.32 4.24 2on6A1 LYS 22 HB2 -0.19 -0.04 0.10 -0.04 1.87 1.70 2on6A1 LYS 22 HB3 -0.14 -0.01 -0.01 -0.04 1.79 1.60 2on6A1 LYS 22 HG2 -0.07 -0.01 -0.02 -0.04 1.46 1.32 2on6A1 LYS 22 HG3 -0.07 -0.03 0.01 -0.04 1.46 1.32 2on6A1 LYS 22 HD2 -0.05 -0.01 0.03 -0.04 1.69 1.62 2on6A1 LYS 22 HD3 -0.06 0.13 -0.08 -0.04 1.68 1.62 2on6A1 LYS 22 HE2 -0.06 0.02 -0.09 -0.04 2.99 2.82 2on6A1 LYS 22 HE3 -0.05 -0.05 -0.03 -0.04 2.99 2.82 2on6A1 HIS 23 H 0.05 -0.05 -0.04 -0.55 8.41 7.83 2on6A1 HIS 23 HA -0.04 -0.02 0.30 -0.75 4.63 4.11 2on6A1 HIS 23 HB2 -0.04 0.03 0.06 -0.04 3.26 3.27 2on6A1 HIS 23 HB3 0.02 0.03 -0.02 -0.04 3.20 3.19 2on6A1 HIS 23 HD2 -0.64 -0.00 -0.05 -0.04 6.97 6.24 2on6A1 HIS 23 HE1 -0.01 0.11 0.07 -0.04 7.75 7.87 2on6A1 ARG 24 H 0.06 0.06 0.09 -0.55 8.46 8.12 2on6A1 ARG 24 HA 0.09 0.30 0.80 -0.75 4.34 4.77 2on6A1 ARG 24 HB2 0.05 -0.12 0.19 -0.04 1.90 1.98 2on6A1 ARG 24 HB3 0.05 0.08 0.09 -0.04 1.80 1.98 2on6A1 ARG 24 HG2 0.02 0.03 -0.06 -0.04 1.67 1.62 2on6A1 ARG 24 HG3 0.02 -0.07 0.02 -0.04 1.67 1.60 2on6A1 ARG 24 HD2 0.04 0.07 0.13 -0.04 3.22 3.43 2on6A1 ARG 24 HD3 0.02 0.31 -0.48 -0.04 3.22 3.02 2on6A1 PRO 25 HA 0.02 -0.06 -0.03 -0.51 4.44 3.86 2on6A1 PRO 25 HB2 -0.10 -0.03 -0.33 -0.04 2.28 1.78 2on6A1 PRO 25 HB3 -0.01 0.08 -0.43 -0.04 2.02 1.62 2on6A1 PRO 25 HG2 0.06 0.02 -0.16 -0.04 2.03 1.91 2on6A1 PRO 25 HG3 0.19 -0.02 -0.13 -0.04 2.03 2.03 2on6A1 PRO 25 HD2 0.15 0.28 0.02 -0.04 3.68 4.09 2on6A1 PRO 25 HD3 0.32 0.17 -0.24 -0.04 3.65 3.86 2on6A1 GLN 26 H -0.00 0.79 0.42 -0.55 8.47 9.13 2on6A1 GLN 26 HA 0.01 0.24 0.83 -0.75 4.36 4.69 2on6A1 GLN 26 HB2 0.03 0.04 0.11 -0.04 2.15 2.29 2on6A1 GLN 26 HB3 0.02 -0.01 0.19 -0.04 2.02 2.18 2on6A1 GLN 26 HG2 0.01 -0.12 -0.05 -0.04 2.40 2.20 2on6A1 GLN 26 HG3 0.02 0.03 0.07 -0.04 2.39 2.48 2on6A1 GLN 26 HE21 0.01 0.18 -0.21 -0.04 6.97 6.92 2on6A1 GLN 26 HE22 0.01 -0.06 -0.11 -0.04 7.69 7.49 2on6A1 VAL 27 H -0.05 0.44 0.34 -0.55 8.24 8.43 2on6A1 VAL 27 HA -0.05 0.20 1.02 -0.75 4.13 4.55 2on6A1 VAL 27 HB -0.05 -0.05 0.02 -0.04 2.12 2.00 2on6A1 VAL 27 HG13 -0.04 -0.01 -0.35 -0.04 0.97 0.53 2on6A1 VAL 27 HG23 -0.01 0.01 -0.15 -0.04 0.95 0.77 2on6A1 ALA 28 H -0.12 0.63 0.37 -0.55 8.40 8.73 2on6A1 ALA 28 HA -0.46 0.22 0.87 -0.75 4.34 4.22 2on6A1 ALA 28 HB3 -0.48 -0.02 0.06 -0.04 1.41 0.93 2on6A1 ILE 29 H -0.22 0.71 0.47 -0.55 8.25 8.66 2on6A1 ILE 29 HA -0.05 0.38 1.31 -0.75 4.18 5.06 2on6A1 ILE 29 HB -0.06 -0.08 0.08 -0.04 1.89 1.79 2on6A1 ILE 29 HG12 -0.03 0.07 -0.27 -0.04 1.49 1.22 2on6A1 ILE 29 HG13 -0.08 0.04 -0.32 -0.04 1.21 0.81 2on6A1 ILE 29 HG23 -0.02 -0.02 -0.22 -0.04 0.93 0.63 2on6A1 ILE 29 HD13 -0.01 -0.00 -0.16 -0.04 0.88 0.66 2on6A1 ILE 30 H -0.04 0.75 0.35 -0.55 8.25 8.77 2on6A1 ILE 30 HA 0.01 0.16 1.10 -0.75 4.18 4.69 2on6A1 ILE 30 HB -0.02 -0.05 0.23 -0.04 1.89 2.01 2on6A1 ILE 30 HG12 0.12 0.05 -0.07 -0.04 1.49 1.55 2on6A1 ILE 30 HG13 0.10 -0.00 -0.32 -0.04 1.21 0.95 2on6A1 ILE 30 HG23 -0.03 -0.01 -0.09 -0.04 0.93 0.77 2on6A1 ILE 30 HD13 0.09 -0.01 -0.08 -0.04 0.88 0.84 2on6A1 CYS 31 H -0.01 0.42 0.18 -0.55 8.50 8.54 2on6A1 CYS 31 HA -0.05 0.06 0.46 -0.75 4.58 4.31 2on6A1 CYS 31 HB2 0.01 -0.14 -0.20 -0.04 2.97 2.59 2on6A1 CYS 31 HB3 0.01 -0.05 -0.11 -0.04 2.97 2.78 2on6A1 GLY 32 H -0.04 0.26 0.01 -0.55 8.43 8.12 2on6A1 GLY 32 HA2 0.05 0.06 0.45 -0.51 4.01 4.06 2on6A1 GLY 32 HA3 0.03 0.03 0.33 -0.51 4.01 3.90 2on6A1 SER 33 H 0.07 0.10 0.02 -0.55 8.46 8.11 2on6A1 SER 33 HA 0.04 -0.07 0.38 -0.75 4.49 4.09 2on6A1 SER 33 HB2 0.07 -0.12 -0.15 -0.04 3.95 3.71 2on6A1 SER 33 HB3 0.06 0.17 -0.01 -0.04 3.93 4.10 2on6A1 GLY 34 H 0.03 0.09 0.05 -0.55 8.43 8.05 2on6A1 GLY 34 HA2 0.03 -0.11 0.32 -0.51 4.01 3.74 2on6A1 GLY 34 HA3 0.03 0.17 0.13 -0.51 4.01 3.83 2on6A1 LEU 35 H 0.04 0.04 -0.82 -0.55 8.37 7.09 2on6A1 LEU 35 HA 0.06 0.22 0.08 -0.75 4.35 3.96 2on6A1 LEU 35 HB2 0.04 -0.02 -0.11 -0.04 1.64 1.50 2on6A1 LEU 35 HB3 0.04 -0.01 0.05 -0.04 1.64 1.68 2on6A1 LEU 35 HG 0.12 0.17 -0.03 -0.04 1.64 1.86 2on6A1 LEU 35 HD13 0.07 -0.01 -0.09 -0.04 0.93 0.85 2on6A1 LEU 35 HD23 0.13 0.01 -0.08 -0.04 0.89 0.91 2on6A1 GLY 36 H 0.03 -0.02 -0.05 -0.55 8.43 7.84 2on6A1 GLY 36 HA2 0.01 0.13 0.38 -0.51 4.01 4.02 2on6A1 GLY 36 HA3 0.02 0.03 0.27 -0.51 4.01 3.82 2on6A1 GLY 37 H 0.03 0.05 -0.28 -0.55 8.43 7.68 2on6A1 GLY 37 HA2 0.02 0.07 0.27 -0.51 4.01 3.86 2on6A1 GLY 37 HA3 0.03 0.08 0.16 -0.51 4.01 3.77 2on6A1 LEU 38 H 0.03 0.32 -0.62 -0.55 8.37 7.56 2on6A1 LEU 38 HA 0.03 0.01 0.16 -0.75 4.35 3.79 2on6A1 LEU 38 HB2 0.02 0.23 0.02 -0.04 1.64 1.88 2on6A1 LEU 38 HB3 0.01 0.03 -0.15 -0.04 1.64 1.49 2on6A1 LEU 38 HG 0.06 -0.06 0.01 -0.04 1.64 1.60 2on6A1 LEU 38 HD13 0.04 0.01 -0.09 -0.04 0.93 0.85 2on6A1 LEU 38 HD23 0.05 0.02 0.03 -0.04 0.89 0.94 2on6A1 THR 39 H 0.01 0.25 -0.66 -0.55 8.28 7.33 2on6A1 THR 39 HA -0.00 0.03 0.33 -0.75 4.39 4.00 2on6A1 THR 39 HB 0.01 -0.01 0.04 -0.04 4.32 4.32 2on6A1 THR 39 HG23 0.00 -0.00 -0.17 -0.04 1.22 1.00 2on6A1 ASP 40 H 0.02 0.60 -0.09 -0.55 8.40 8.38 2on6A1 ASP 40 HA 0.02 0.13 0.41 -0.75 4.63 4.43 2on6A1 ASP 40 HB2 0.02 -0.00 -0.03 -0.04 2.71 2.66 2on6A1 ASP 40 HB3 0.02 -0.02 0.11 -0.04 2.70 2.77 2on6A1 LYS 41 H 0.02 0.37 -0.31 -0.55 8.42 7.95 2on6A1 LYS 41 HA 0.03 0.12 0.86 -0.75 4.32 4.57 2on6A1 LYS 41 HB2 0.03 0.07 0.08 -0.04 1.87 2.01 2on6A1 LYS 41 HB3 0.03 -0.05 0.08 -0.04 1.79 1.82 2on6A1 LYS 41 HG2 0.04 -0.02 -0.06 -0.04 1.46 1.37 2on6A1 LYS 41 HG3 0.03 0.00 0.02 -0.04 1.46 1.47 2on6A1 LYS 41 HD2 0.03 0.09 -0.35 -0.04 1.69 1.42 2on6A1 LYS 41 HD3 0.03 -0.03 -0.20 -0.04 1.68 1.43 2on6A1 LYS 41 HE2 0.03 0.02 -0.08 -0.04 2.99 2.91 2on6A1 LYS 41 HE3 0.03 -0.05 -0.12 -0.04 2.99 2.81 2on6A1 LEU 42 H 0.02 0.30 -0.22 -0.55 8.37 7.92 2on6A1 LEU 42 HA 0.05 0.26 0.62 -0.75 4.35 4.53 2on6A1 LEU 42 HB2 0.01 0.29 0.12 -0.04 1.64 2.02 2on6A1 LEU 42 HB3 0.01 -0.09 -0.14 -0.04 1.64 1.38 2on6A1 LEU 42 HG 0.00 -0.01 -0.17 -0.04 1.64 1.43 2on6A1 LEU 42 HD13 -0.04 -0.02 -0.25 -0.04 0.93 0.58 2on6A1 LEU 42 HD23 -0.02 0.02 -0.52 -0.04 0.89 0.34 2on6A1 THR 43 H 0.14 0.30 0.35 -0.55 8.28 8.52 2on6A1 THR 43 HA 0.08 0.22 0.97 -0.75 4.39 4.91 2on6A1 THR 43 HB 0.09 -0.06 0.09 -0.04 4.32 4.40 2on6A1 THR 43 HG23 0.06 0.05 -0.16 -0.04 1.22 1.13 2on6A1 GLN 44 H 0.10 0.16 0.15 -0.55 8.47 8.35 2on6A1 GLN 44 HA 0.13 0.04 0.30 -0.75 4.36 4.07 2on6A1 GLN 44 HB2 0.43 0.24 0.37 -0.04 2.15 3.15 2on6A1 GLN 44 HB3 0.33 -0.00 0.24 -0.04 2.02 2.54 2on6A1 GLN 44 HG2 0.15 -0.01 0.04 -0.04 2.40 2.53 2on6A1 GLN 44 HG3 0.26 -0.02 -0.19 -0.04 2.39 2.40 2on6A1 GLN 44 HE21 0.11 0.02 -0.02 -0.04 6.97 7.03 2on6A1 GLN 44 HE22 0.08 -0.01 -0.04 -0.04 7.69 7.67 2on6A1 ALA 45 H 0.06 0.01 -0.22 -0.55 8.40 7.69 2on6A1 ALA 45 HA -0.04 0.35 0.30 -0.75 4.34 4.20 2on6A1 ALA 45 HB3 0.01 -0.01 -0.05 -0.04 1.41 1.32 2on6A1 GLN 46 H -0.10 0.51 0.31 -0.55 8.47 8.64 2on6A1 GLN 46 HA -0.07 0.10 0.98 -0.75 4.36 4.62 2on6A1 GLN 46 HB2 0.01 0.02 0.11 -0.04 2.15 2.26 2on6A1 GLN 46 HB3 -0.03 -0.07 0.22 -0.04 2.02 2.10 2on6A1 GLN 46 HG2 -0.46 0.11 -0.13 -0.04 2.40 1.88 2on6A1 GLN 46 HG3 -0.19 -0.04 0.12 -0.04 2.39 2.25 2on6A1 GLN 46 HE21 -0.03 0.52 0.37 -0.04 6.97 7.79 2on6A1 GLN 46 HE22 -0.48 -0.03 0.09 -0.04 7.69 7.23 2on6A1 ILE 47 H -0.10 0.12 0.13 -0.55 8.25 7.84 2on6A1 ILE 47 HA 0.06 0.25 0.87 -0.75 4.18 4.61 2on6A1 ILE 47 HB -0.07 -0.03 0.09 -0.04 1.89 1.84 2on6A1 ILE 47 HG12 -0.01 0.02 -0.12 -0.04 1.49 1.33 2on6A1 ILE 47 HG13 -0.03 0.02 -0.05 -0.04 1.21 1.11 2on6A1 ILE 47 HG23 -0.01 -0.02 -0.11 -0.04 0.93 0.75 2on6A1 ILE 47 HD13 -0.02 -0.01 -0.04 -0.04 0.88 0.77 2on6A1 PHE 48 H 0.28 0.81 0.40 -0.55 8.34 9.28 2on6A1 PHE 48 HA 0.08 0.10 0.42 -0.75 4.62 4.47 2on6A1 PHE 48 HB2 0.14 -0.10 0.11 -0.04 3.15 3.26 2on6A1 PHE 48 HB3 0.16 0.07 -0.02 -0.04 3.06 3.23 2on6A1 PHE 48 HD2 0.32 -0.02 -0.09 -0.04 7.28 7.45 2on6A1 PHE 48 HE2 -0.18 -0.02 -0.04 -0.04 7.38 7.10 2on6A1 PHE 48 HZ -0.16 0.14 -0.16 -0.04 7.32 7.09 2on6A1 ASP 49 H 0.14 0.11 0.08 -0.55 8.40 8.18 2on6A1 ASP 49 HA -0.06 0.19 0.78 -0.75 4.63 4.78 2on6A1 ASP 49 HB2 0.07 -0.05 0.11 -0.04 2.71 2.80 2on6A1 ASP 49 HB3 0.03 -0.01 0.14 -0.04 2.70 2.82 2on6A1 TYR 50 H -0.20 1.03 0.50 -0.55 8.29 9.06 2on6A1 TYR 50 HA -0.23 0.06 0.53 -0.75 4.56 4.16 2on6A1 TYR 50 HB2 0.14 -0.05 0.16 -0.04 3.06 3.27 2on6A1 TYR 50 HB3 0.28 0.14 -0.01 -0.04 2.98 3.35 2on6A1 TYR 50 HD2 -0.08 -0.02 -0.07 -0.04 7.15 6.94 2on6A1 TYR 50 HE2 -0.07 -0.03 -0.27 -0.04 6.85 6.44 2on6A1 SER 51 H 0.14 0.08 -0.13 -0.55 8.46 8.00 2on6A1 SER 51 HA 0.09 0.11 0.17 -0.75 4.49 4.12 2on6A1 SER 51 HB2 0.06 0.02 0.06 -0.04 3.95 4.05 2on6A1 SER 51 HB3 0.10 -0.01 0.08 -0.04 3.93 4.05 2on6A1 GLU 52 H 0.06 0.21 -0.52 -0.55 8.60 7.81 2on6A1 GLU 52 HA -0.02 0.08 0.53 -0.75 4.29 4.13 2on6A1 GLU 52 HB2 0.23 0.09 -0.10 -0.04 2.09 2.26 2on6A1 GLU 52 HB3 0.18 -0.03 0.10 -0.04 1.99 2.20 2on6A1 GLU 52 HG2 0.11 -0.03 -0.02 -0.04 2.34 2.36 2on6A1 GLU 52 HG3 0.12 -0.06 0.03 -0.04 2.34 2.38 2on6A1 ILE 53 H -0.12 0.61 -0.15 -0.55 8.25 8.04 2on6A1 ILE 53 HA -1.05 0.17 0.68 -0.75 4.18 3.22 2on6A1 ILE 53 HB -0.37 -0.02 0.11 -0.04 1.89 1.57 2on6A1 ILE 53 HG12 -0.07 -0.02 -0.12 -0.04 1.49 1.24 2on6A1 ILE 53 HG13 -0.11 0.23 0.04 -0.04 1.21 1.33 2on6A1 ILE 53 HG23 -0.17 0.03 -0.05 -0.04 0.93 0.70 2on6A1 ILE 53 HD13 -0.41 -0.04 -0.08 -0.04 0.88 0.30 2on6A1 PRO 54 HA -0.25 0.00 0.35 -0.51 4.44 4.03 2on6A1 PRO 54 HB2 -0.19 0.00 -0.06 -0.04 2.28 2.00 2on6A1 PRO 54 HB3 -0.25 -0.03 0.06 -0.04 2.02 1.76 2on6A1 PRO 54 HG2 -0.65 0.05 0.07 -0.04 2.03 1.46 2on6A1 PRO 54 HG3 -0.91 0.02 0.08 -0.04 2.03 1.18 2on6A1 PRO 54 HD2 -1.06 0.09 0.21 -0.04 3.68 2.88 2on6A1 PRO 54 HD3 -2.64 0.25 0.28 -0.04 3.65 1.50 2on6A1 ASN 55 H -0.09 0.10 0.15 -0.55 8.53 8.14 2on6A1 ASN 55 HA -0.10 -0.04 0.26 -0.75 4.76 4.12 2on6A1 ASN 55 HB2 0.01 0.22 -0.05 -0.04 2.88 3.01 2on6A1 ASN 55 HB3 -0.34 -0.09 0.05 -0.04 2.79 2.37 2on6A1 ASN 55 HD21 -0.00 -0.08 -0.07 -0.04 7.03 6.84 2on6A1 ASN 55 HD22 0.04 0.25 -0.08 -0.04 7.74 7.91 2on6A1 PHE 56 H 0.12 0.43 -0.39 -0.55 8.34 7.94 2on6A1 PHE 56 HA -0.14 0.02 0.22 -0.75 4.62 3.97 2on6A1 PHE 56 HB2 -0.01 0.20 0.06 -0.04 3.15 3.36 2on6A1 PHE 56 HB3 -0.01 0.04 -0.12 -0.04 3.06 2.93 2on6A1 PHE 56 HD2 -0.10 0.07 -0.11 -0.04 7.28 7.10 2on6A1 PHE 56 HE2 -0.23 -0.02 -0.09 -0.04 7.38 7.00 2on6A1 PHE 56 HZ -0.03 -0.05 -0.07 -0.04 7.32 7.13 2on6A1 PRO 57 HA -0.31 0.01 0.43 -0.51 4.44 4.06 2on6A1 PRO 57 HB2 -2.33 -0.04 -0.13 -0.04 2.28 -0.26 2on6A1 PRO 57 HB3 -1.09 -0.05 -0.03 -0.04 2.02 0.81 2on6A1 PRO 57 HG2 -0.96 0.11 0.04 -0.04 2.03 1.18 2on6A1 PRO 57 HG3 -0.58 -0.03 0.09 -0.04 2.03 1.47 2on6A1 PRO 57 HD2 -0.71 0.03 0.17 -0.04 3.68 3.13 2on6A1 PRO 57 HD3 -0.80 0.26 0.21 -0.04 3.65 3.28 2on6A1 ARG 58 H -0.07 0.12 0.07 -0.55 8.46 8.03 2on6A1 ARG 58 HA 0.14 0.14 0.73 -0.75 4.34 4.60 2on6A1 ARG 58 HB2 0.07 -0.00 -0.05 -0.04 1.90 1.87 2on6A1 ARG 58 HB3 0.04 0.11 -0.10 -0.04 1.80 1.81 2on6A1 ARG 58 HG2 -0.02 0.03 0.00 -0.04 1.67 1.64 2on6A1 ARG 58 HG3 0.00 -0.05 0.15 -0.04 1.67 1.73 2on6A1 ARG 58 HD2 -0.01 -0.03 0.01 -0.04 3.22 3.14 2on6A1 ARG 58 HD3 0.02 0.02 -0.01 -0.04 3.22 3.21 2on6A1 SER 59 H 0.26 0.11 -0.04 -0.55 8.46 8.24 2on6A1 SER 59 HA 0.38 0.05 -0.16 -0.75 4.49 4.00 2on6A1 SER 59 HB2 0.21 0.12 -0.19 -0.04 3.95 4.05 2on6A1 SER 59 HB3 0.23 -0.01 0.20 -0.04 3.93 4.30 2on6A1 HIS 64 HA 0.10 -0.01 0.19 -0.75 4.63 4.17 2on6A1 HIS 64 HB2 0.05 0.04 0.02 -0.04 3.26 3.33 2on6A1 HIS 64 HB3 0.06 0.04 0.18 -0.04 3.20 3.44 2on6A1 HIS 64 HD2 0.06 0.03 0.06 -0.04 6.97 7.08 2on6A1 HIS 64 HE1 0.05 0.02 0.05 -0.04 7.75 7.82 2on6A1 ALA 65 H -0.58 0.12 0.13 -0.55 8.40 7.53 2on6A1 ALA 65 HA 0.07 0.04 -0.00 -0.75 4.34 3.70 2on6A1 ALA 65 HB3 -0.02 -0.01 0.14 -0.04 1.41 1.47 2on6A1 GLY 66 H -0.00 0.63 -0.02 -0.55 8.43 8.50 2on6A1 GLY 66 HA2 -0.31 0.27 0.26 -0.51 4.01 3.71 2on6A1 GLY 66 HA3 -0.22 -0.03 0.30 -0.51 4.01 3.54 2on6A1 ARG 67 H -0.57 0.45 0.38 -0.55 8.46 8.16 2on6A1 ARG 67 HA -0.50 0.09 1.07 -0.75 4.34 4.25 2on6A1 ARG 67 HB2 -0.07 0.08 -0.05 -0.04 1.90 1.82 2on6A1 ARG 67 HB3 -0.15 -0.04 -0.15 -0.04 1.80 1.42 2on6A1 ARG 67 HG2 -0.17 -0.00 0.21 -0.04 1.67 1.66 2on6A1 ARG 67 HG3 -0.08 -0.02 -0.13 -0.04 1.67 1.40 2on6A1 ARG 67 HD2 -0.05 -0.03 -0.07 -0.04 3.22 3.03 2on6A1 ARG 67 HD3 -0.07 0.13 0.03 -0.04 3.22 3.26 2on6A1 LEU 68 H 0.03 0.68 0.33 -0.55 8.37 8.86 2on6A1 LEU 68 HA 0.09 0.25 0.93 -0.75 4.35 4.86 2on6A1 LEU 68 HB2 0.14 0.02 0.11 -0.04 1.64 1.88 2on6A1 LEU 68 HB3 0.31 0.00 0.05 -0.04 1.64 1.96 2on6A1 LEU 68 HG -0.07 -0.00 -0.08 -0.04 1.64 1.45 2on6A1 LEU 68 HD13 0.37 0.03 -0.05 -0.04 0.93 1.24 2on6A1 LEU 68 HD23 0.18 0.01 -0.08 -0.04 0.89 0.96 2on6A1 VAL 69 H -0.05 0.51 0.20 -0.55 8.24 8.36 2on6A1 VAL 69 HA 0.11 0.29 0.97 -0.75 4.13 4.74 2on6A1 VAL 69 HB -0.04 -0.09 0.14 -0.04 2.12 2.09 2on6A1 VAL 69 HG13 -0.01 0.01 -0.19 -0.04 0.97 0.74 2on6A1 VAL 69 HG23 -0.01 -0.00 -0.23 -0.04 0.95 0.67 2on6A1 PHE 70 H 0.37 0.58 0.23 -0.55 8.34 8.96 2on6A1 PHE 70 HA -0.16 0.20 0.91 -0.75 4.62 4.81 2on6A1 PHE 70 HB2 -0.26 -0.02 0.17 -0.04 3.15 3.01 2on6A1 PHE 70 HB3 -0.51 -0.01 0.10 -0.04 3.06 2.60 2on6A1 PHE 70 HD2 0.12 0.05 -0.04 -0.04 7.28 7.37 2on6A1 PHE 70 HE2 -0.02 0.04 -0.10 -0.04 7.38 7.26 2on6A1 PHE 70 HZ 0.01 0.01 -0.08 -0.04 7.32 7.21 2on6A1 GLY 71 H -0.23 0.60 0.27 -0.55 8.43 8.53 2on6A1 GLY 71 HA2 -0.40 0.07 0.26 -0.51 4.01 3.44 2on6A1 GLY 71 HA3 -0.14 0.06 0.41 -0.51 4.01 3.82 2on6A1 PHE 72 H 0.13 0.37 0.27 -0.55 8.34 8.56 2on6A1 PHE 72 HA 0.05 0.45 0.83 -0.75 4.62 5.20 2on6A1 PHE 72 HB2 0.06 -0.03 0.14 -0.04 3.15 3.28 2on6A1 PHE 72 HB3 0.04 -0.09 -0.08 -0.04 3.06 2.89 2on6A1 PHE 72 HD2 0.08 0.05 -0.27 -0.04 7.28 7.10 2on6A1 PHE 72 HE2 0.03 0.02 -0.08 -0.04 7.38 7.30 2on6A1 PHE 72 HZ -0.01 0.02 -0.07 -0.04 7.32 7.22 2on6A1 LEU 73 H 0.12 0.73 0.25 -0.55 8.37 8.93 2on6A1 LEU 73 HA 0.07 0.21 0.75 -0.75 4.35 4.63 2on6A1 LEU 73 HB2 0.02 -0.02 -0.06 -0.04 1.64 1.54 2on6A1 LEU 73 HB3 0.03 0.03 0.08 -0.04 1.64 1.74 2on6A1 LEU 73 HG 0.03 0.08 -0.09 -0.04 1.64 1.62 2on6A1 LEU 73 HD13 0.04 -0.01 -0.04 -0.04 0.93 0.88 2on6A1 LEU 73 HD23 0.02 -0.01 -0.14 -0.04 0.89 0.72 2on6A1 ASN 74 H 0.06 0.22 0.00 -0.55 8.53 8.26 2on6A1 ASN 74 HA 0.03 0.01 0.32 -0.75 4.76 4.37 2on6A1 ASN 74 HB2 0.02 -0.03 -0.06 -0.04 2.88 2.78 2on6A1 ASN 74 HB3 0.02 0.12 -0.11 -0.04 2.79 2.78 2on6A1 ASN 74 HD21 -0.00 -0.06 0.04 -0.04 7.03 6.97 2on6A1 ASN 74 HD22 -0.00 0.48 0.14 -0.04 7.74 8.31 2on6A1 GLY 75 H 0.06 0.01 -0.19 -0.55 8.43 7.76 2on6A1 GLY 75 HA2 -0.02 -0.06 0.21 -0.51 4.01 3.64 2on6A1 GLY 75 HA3 0.00 0.06 0.25 -0.51 4.01 3.81 2on6A1 ARG 76 H 0.12 0.56 -0.45 -0.55 8.46 8.14 2on6A1 ARG 76 HA 0.13 0.18 0.89 -0.75 4.34 4.79 2on6A1 ARG 76 HB2 0.05 0.05 0.07 -0.04 1.90 2.02 2on6A1 ARG 76 HB3 0.04 -0.06 -0.03 -0.04 1.80 1.71 2on6A1 ARG 76 HG2 0.03 0.04 -0.37 -0.04 1.67 1.33 2on6A1 ARG 76 HG3 0.01 0.04 -0.04 -0.04 1.67 1.64 2on6A1 ARG 76 HD2 0.02 -0.09 -0.02 -0.04 3.22 3.10 2on6A1 ARG 76 HD3 0.04 -0.04 0.10 -0.04 3.22 3.29 2on6A1 ALA 77 H 0.16 0.21 0.09 -0.55 8.40 8.32 2on6A1 ALA 77 HA -0.09 0.18 0.73 -0.75 4.34 4.40 2on6A1 ALA 77 HB3 0.10 0.01 0.01 -0.04 1.41 1.49 2on6A1 CYS 78 H -0.09 0.73 0.45 -0.55 8.50 9.04 2on6A1 CYS 78 HA -0.11 0.25 1.14 -0.75 4.58 5.10 2on6A1 CYS 78 HB2 -0.09 -0.02 -0.10 -0.04 2.97 2.71 2on6A1 CYS 78 HB3 -0.13 -0.03 -0.07 -0.04 2.97 2.70 2on6A1 VAL 79 H -0.28 0.60 0.31 -0.55 8.24 8.32 2on6A1 VAL 79 HA -0.53 0.18 0.56 -0.75 4.13 3.58 2on6A1 VAL 79 HB -0.95 0.08 0.03 -0.04 2.12 1.24 2on6A1 VAL 79 HG13 -0.64 -0.01 -0.06 -0.04 0.97 0.21 2on6A1 VAL 79 HG23 -0.80 -0.01 -0.16 -0.04 0.95 -0.07 2on6A1 MET 80 H -0.21 0.73 0.26 -0.55 8.47 8.70 2on6A1 MET 80 HA -0.13 0.24 1.26 -0.75 4.52 5.14 2on6A1 MET 80 HB2 -0.06 -0.04 0.04 -0.04 2.15 2.05 2on6A1 MET 80 HB3 -0.04 -0.01 0.00 -0.04 2.03 1.95 2on6A1 MET 80 HG2 -0.08 0.00 -0.13 -0.04 2.63 2.38 2on6A1 MET 80 HG3 -0.10 0.06 -0.15 -0.04 2.56 2.34 2on6A1 MET 80 HE3 -0.01 0.03 -0.20 -0.04 2.10 1.88 2on6A1 MET 81 H 0.01 0.70 0.44 -0.55 8.47 9.07 2on6A1 MET 81 HA 0.17 0.20 0.95 -0.75 4.52 5.08 2on6A1 MET 81 HB2 0.10 -0.07 0.25 -0.04 2.15 2.38 2on6A1 MET 81 HB3 0.10 0.11 -0.02 -0.04 2.03 2.18 2on6A1 MET 81 HG2 0.34 0.07 -0.01 -0.04 2.63 2.98 2on6A1 MET 81 HG3 0.45 -0.00 -0.10 -0.04 2.56 2.86 2on6A1 MET 81 HE3 -0.20 0.05 0.04 -0.04 2.10 1.95 2on6A1 GLN 82 H 0.01 0.69 0.30 -0.55 8.47 8.93 2on6A1 GLN 82 HA -0.00 0.04 0.94 -0.75 4.36 4.58 2on6A1 GLN 82 HB2 -0.04 0.06 0.04 -0.04 2.15 2.17 2on6A1 GLN 82 HB3 -0.09 -0.03 0.27 -0.04 2.02 2.13 2on6A1 GLN 82 HG2 -0.03 -0.04 -0.06 -0.04 2.40 2.23 2on6A1 GLN 82 HG3 -0.01 -0.09 0.03 -0.04 2.39 2.28 2on6A1 GLN 82 HE21 -0.01 -0.01 -0.03 -0.04 6.97 6.88 2on6A1 GLN 82 HE22 -0.02 -0.00 -0.10 -0.04 7.69 7.53 2on6A1 GLY 83 H -0.01 0.09 0.01 -0.55 8.43 7.98 2on6A1 GLY 83 HA2 -0.03 -0.09 0.39 -0.51 4.01 3.77 2on6A1 GLY 83 HA3 -0.03 0.15 0.71 -0.51 4.01 4.32 2on6A1 ARG 84 H -0.19 0.14 0.15 -0.55 8.46 8.00 2on6A1 ARG 84 HA -0.65 0.26 0.65 -0.75 4.34 3.85 2on6A1 ARG 84 HB2 -0.35 -0.04 0.06 -0.04 1.90 1.54 2on6A1 ARG 84 HB3 -0.21 0.13 -0.00 -0.04 1.80 1.67 2on6A1 ARG 84 HG2 -0.07 0.20 -0.20 -0.04 1.67 1.56 2on6A1 ARG 84 HG3 -0.10 -0.17 -0.05 -0.04 1.67 1.30 2on6A1 ARG 84 HD2 0.12 -0.04 -0.04 -0.04 3.22 3.22 2on6A1 ARG 84 HD3 -0.13 -0.05 -0.13 -0.04 3.22 2.86 2on6A1 PHE 85 H -0.47 0.26 0.14 -0.55 8.34 7.71 2on6A1 PHE 85 HA -0.38 0.20 1.05 -0.75 4.62 4.73 2on6A1 PHE 85 HB2 -0.55 0.00 0.08 -0.04 3.15 2.65 2on6A1 PHE 85 HB3 -1.21 0.01 -0.09 -0.04 3.06 1.73 2on6A1 PHE 85 HD2 -0.44 0.05 -0.08 -0.04 7.28 6.78 2on6A1 PHE 85 HE2 -0.31 0.00 -0.19 -0.04 7.38 6.84 2on6A1 PHE 85 HZ -0.50 0.12 -0.16 -0.04 7.32 6.73 2on6A1 HIS 86 H -0.13 0.22 0.14 -0.55 8.41 8.10 2on6A1 HIS 86 HA -0.12 0.18 1.04 -0.75 4.63 4.97 2on6A1 HIS 86 HB2 -1.24 -0.02 0.06 -0.04 3.26 2.02 2on6A1 HIS 86 HB3 -0.61 0.07 0.10 -0.04 3.20 2.71 2on6A1 HIS 86 HD2 0.02 0.01 -0.12 -0.04 6.97 6.83 2on6A1 HIS 86 HE1 0.06 0.00 -0.04 -0.04 7.75 7.73 2on6A1 MET 87 H -0.01 0.20 0.19 -0.55 8.47 8.31 2on6A1 MET 87 HA -0.02 0.27 0.49 -0.75 4.52 4.51 2on6A1 MET 87 HB2 0.00 -0.03 0.13 -0.04 2.15 2.22 2on6A1 MET 87 HB3 0.04 0.07 0.16 -0.04 2.03 2.25 2on6A1 MET 87 HG2 0.02 0.06 -0.21 -0.04 2.63 2.46 2on6A1 MET 87 HG3 -0.02 0.07 0.01 -0.04 2.56 2.58 2on6A1 MET 87 HE3 -0.00 0.00 -0.03 -0.04 2.10 2.03 2on6A1 TYR 88 H -0.15 0.12 -0.14 -0.55 8.29 7.57 2on6A1 TYR 88 HA -0.03 0.16 0.44 -0.75 4.56 4.38 2on6A1 TYR 88 HB2 -0.07 -0.03 0.02 -0.04 3.06 2.94 2on6A1 TYR 88 HB3 -0.05 0.44 -0.02 -0.04 2.98 3.31 2on6A1 TYR 88 HD2 -0.06 0.14 -0.14 -0.04 7.15 7.05 2on6A1 TYR 88 HE2 -0.30 -0.02 -0.04 -0.04 6.85 6.45 2on6A1 GLU 89 H -0.26 0.49 -0.44 -0.55 8.60 7.84 2on6A1 GLU 89 HA -0.00 0.10 0.61 -0.75 4.29 4.24 2on6A1 GLU 89 HB2 0.02 0.09 0.09 -0.04 2.09 2.25 2on6A1 GLU 89 HB3 -0.12 0.04 0.13 -0.04 1.99 2.00 2on6A1 GLU 89 HG2 0.09 0.04 0.04 -0.04 2.34 2.47 2on6A1 GLU 89 HG3 -0.29 -0.10 -0.01 -0.04 2.34 1.90 2on6A1 GLY 90 H -0.12 0.36 -0.38 -0.55 8.43 7.74 2on6A1 GLY 90 HA2 -0.13 0.04 0.22 -0.51 4.01 3.62 2on6A1 GLY 90 HA3 -0.22 0.13 0.59 -0.51 4.01 4.00 2on6A1 TYR 91 H -0.21 0.08 -0.16 -0.55 8.29 7.45 2on6A1 TYR 91 HA -0.31 0.16 0.48 -0.75 4.56 4.14 2on6A1 TYR 91 HB2 -0.20 -0.09 -0.24 -0.04 3.06 2.48 2on6A1 TYR 91 HB3 -0.35 -0.00 -0.18 -0.04 2.98 2.41 2on6A1 TYR 91 HD2 -0.26 0.07 -0.09 -0.04 7.15 6.84 2on6A1 TYR 91 HE2 -0.12 -0.02 -0.06 -0.04 6.85 6.61 2on6A1 PRO 92 HA -0.23 0.14 0.59 -0.51 4.44 4.42 2on6A1 PRO 92 HB2 -1.33 -0.10 0.01 -0.04 2.28 0.82 2on6A1 PRO 92 HB3 -0.31 0.14 0.10 -0.04 2.02 1.91 2on6A1 PRO 92 HG2 -2.00 -0.06 0.06 -0.04 2.03 -0.01 2on6A1 PRO 92 HG3 -0.63 0.13 0.09 -0.04 2.03 1.58 2on6A1 PRO 92 HD2 -0.47 0.04 0.23 -0.04 3.68 3.44 2on6A1 PRO 92 HD3 -0.35 0.34 0.25 -0.04 3.65 3.85 2on6A1 LEU 93 H -0.13 0.24 0.08 -0.55 8.37 8.01 2on6A1 LEU 93 HA -0.10 0.02 0.24 -0.75 4.35 3.75 2on6A1 LEU 93 HB2 0.02 0.10 -0.12 -0.04 1.64 1.60 2on6A1 LEU 93 HB3 -0.00 -0.01 -0.08 -0.04 1.64 1.51 2on6A1 LEU 93 HG -0.04 0.03 -0.01 -0.04 1.64 1.59 2on6A1 LEU 93 HD13 -0.00 -0.00 -0.32 -0.04 0.93 0.56 2on6A1 LEU 93 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.75 2on6A1 TRP 94 H -0.26 0.10 -0.44 -0.55 7.97 6.83 2on6A1 TRP 94 HA 0.03 0.20 0.52 -0.75 4.62 4.62 2on6A1 TRP 94 HB2 0.11 0.01 0.12 -0.04 3.23 3.42 2on6A1 TRP 94 HB3 0.02 0.20 0.06 -0.04 3.23 3.47 2on6A1 TRP 94 HD1 -0.02 0.07 -0.11 -0.04 7.22 7.12 2on6A1 TRP 94 HE1 -0.06 0.08 -0.07 -0.04 10.20 10.11 2on6A1 TRP 94 HE3 -0.10 0.08 -0.28 -0.04 7.59 7.26 2on6A1 TRP 94 HZ2 -0.13 0.10 0.04 -0.04 7.44 7.40 2on6A1 TRP 94 HZ3 -0.92 0.10 -0.04 -0.04 7.13 6.23 2on6A1 TRP 94 HH2 -0.29 0.09 0.03 -0.04 7.19 6.98 2on6A1 LYS 95 H -0.49 0.46 -0.30 -0.55 8.42 7.54 2on6A1 LYS 95 HA 0.07 0.24 0.91 -0.75 4.32 4.79 2on6A1 LYS 95 HB2 -0.51 0.06 0.02 -0.04 1.87 1.40 2on6A1 LYS 95 HB3 -0.57 -0.00 -0.11 -0.04 1.79 1.07 2on6A1 LYS 95 HG2 -0.31 0.07 0.01 -0.04 1.46 1.19 2on6A1 LYS 95 HG3 -1.50 -0.07 -0.05 -0.04 1.46 -0.19 2on6A1 LYS 95 HD2 -0.27 -0.01 0.00 -0.04 1.69 1.38 2on6A1 LYS 95 HD3 -0.30 -0.02 -0.01 -0.04 1.68 1.31 2on6A1 LYS 95 HE2 -0.20 0.04 -0.02 -0.04 2.99 2.77 2on6A1 LYS 95 HE3 -0.53 -0.04 -0.00 -0.04 2.99 2.38 2on6A1 VAL 96 H -0.24 0.35 -0.07 -0.55 8.24 7.73 2on6A1 VAL 96 HA -0.14 0.04 0.53 -0.75 4.13 3.79 2on6A1 VAL 96 HB -0.08 0.04 0.07 -0.04 2.12 2.10 2on6A1 VAL 96 HG13 -0.06 0.02 -0.07 -0.04 0.97 0.82 2on6A1 VAL 96 HG23 -0.08 0.01 -0.26 -0.04 0.95 0.58 2on6A1 THR 97 H -0.03 0.34 -0.49 -0.55 8.28 7.55 2on6A1 THR 97 HA -0.09 0.09 0.52 -0.75 4.39 4.16 2on6A1 THR 97 HB -0.08 -0.03 0.01 -0.04 4.32 4.18 2on6A1 THR 97 HG23 -0.04 -0.01 -0.30 -0.04 1.22 0.83 2on6A1 PHE 98 H 0.04 0.28 -0.48 -0.55 8.34 7.62 2on6A1 PHE 98 HA -0.02 0.05 0.43 -0.75 4.62 4.33 2on6A1 PHE 98 HB2 -0.14 0.07 0.17 -0.04 3.15 3.21 2on6A1 PHE 98 HB3 -0.43 0.09 0.07 -0.04 3.06 2.75 2on6A1 PHE 98 HD2 -1.03 -0.02 -0.07 -0.04 7.28 6.12 2on6A1 PHE 98 HE2 -0.74 -0.03 -0.21 -0.04 7.38 6.36 2on6A1 PHE 98 HZ -0.28 0.09 -0.11 -0.04 7.32 6.98 2on6A1 PRO 99 HA -0.80 0.10 0.35 -0.51 4.44 3.58 2on6A1 PRO 99 HB2 -0.49 -0.01 -0.01 -0.04 2.28 1.73 2on6A1 PRO 99 HB3 -0.46 0.06 0.00 -0.04 2.02 1.59 2on6A1 PRO 99 HG2 -0.13 0.03 0.02 -0.04 2.03 1.91 2on6A1 PRO 99 HG3 -0.55 0.08 -0.02 -0.04 2.03 1.50 2on6A1 PRO 99 HD2 -0.18 0.11 -0.11 -0.04 3.68 3.46 2on6A1 PRO 99 HD3 -0.14 0.18 -0.02 -0.04 3.65 3.64 2on6A1 VAL 100 H -0.36 0.18 -0.31 -0.55 8.24 7.21 2on6A1 VAL 100 HA -0.16 0.02 0.18 -0.75 4.13 3.41 2on6A1 VAL 100 HB -0.17 0.16 -0.02 -0.04 2.12 2.05 2on6A1 VAL 100 HG13 -0.03 0.01 -0.19 -0.04 0.97 0.72 2on6A1 VAL 100 HG23 -0.06 -0.03 0.01 -0.04 0.95 0.83 2on6A1 ARG 101 H -0.41 0.31 -0.64 -0.55 8.46 7.17 2on6A1 ARG 101 HA -0.21 0.11 0.38 -0.75 4.34 3.87 2on6A1 ARG 101 HB2 -0.55 0.11 0.10 -0.04 1.90 1.52 2on6A1 ARG 101 HB3 -0.85 -0.05 -0.08 -0.04 1.80 0.78 2on6A1 ARG 101 HG2 -1.30 0.01 -0.01 -0.04 1.67 0.32 2on6A1 ARG 101 HG3 -0.59 0.01 -0.12 -0.04 1.67 0.93 2on6A1 ARG 101 HD2 -0.64 0.02 -0.06 -0.04 3.22 2.51 2on6A1 ARG 101 HD3 -1.87 -0.07 -0.05 -0.04 3.22 1.19 2on6A1 VAL 102 H -0.53 0.33 -0.07 -0.55 8.24 7.43 2on6A1 VAL 102 HA -0.11 0.03 0.42 -0.75 4.13 3.71 2on6A1 VAL 102 HB -0.50 0.04 0.15 -0.04 2.12 1.77 2on6A1 VAL 102 HG13 0.08 0.00 -0.21 -0.04 0.97 0.80 2on6A1 VAL 102 HG23 -0.82 0.04 -0.01 -0.04 0.95 0.12 2on6A1 PHE 103 H -0.33 0.60 -0.11 -0.55 8.34 7.94 2on6A1 PHE 103 HA 0.01 0.00 0.38 -0.75 4.62 4.26 2on6A1 PHE 103 HB2 -0.02 0.24 0.03 -0.04 3.15 3.36 2on6A1 PHE 103 HB3 -0.00 -0.03 -0.14 -0.04 3.06 2.85 2on6A1 PHE 103 HD2 -0.02 -0.01 -0.12 -0.04 7.28 7.09 2on6A1 PHE 103 HE2 -0.01 -0.03 -0.16 -0.04 7.38 7.13 2on6A1 PHE 103 HZ 0.02 -0.03 -0.17 -0.04 7.32 7.09 2on6A1 HIS 104 H 0.21 0.42 -0.19 -0.55 8.41 8.31 2on6A1 HIS 104 HA 0.08 0.19 0.35 -0.75 4.63 4.50 2on6A1 HIS 104 HB2 0.06 -0.03 0.08 -0.04 3.26 3.32 2on6A1 HIS 104 HB3 0.06 0.05 0.15 -0.04 3.20 3.43 2on6A1 HIS 104 HD2 0.31 -0.10 -0.02 -0.04 6.97 7.11 2on6A1 HIS 104 HE1 0.04 -0.02 0.07 -0.04 7.75 7.80 2on6A1 LEU 105 H 0.09 0.38 -0.35 -0.55 8.37 7.94 2on6A1 LEU 105 HA -0.16 0.06 0.44 -0.75 4.35 3.94 2on6A1 LEU 105 HB2 0.03 0.14 0.09 -0.04 1.64 1.85 2on6A1 LEU 105 HB3 -0.01 -0.10 0.06 -0.04 1.64 1.55 2on6A1 LEU 105 HG 0.19 0.12 0.01 -0.04 1.64 1.92 2on6A1 LEU 105 HD13 -0.04 -0.05 -0.14 -0.04 0.93 0.65 2on6A1 LEU 105 HD23 -0.04 -0.00 -0.03 -0.04 0.89 0.78 2on6A1 LEU 106 H 0.09 0.35 -0.28 -0.55 8.37 7.99 2on6A1 LEU 106 HA 0.07 0.04 0.58 -0.75 4.35 4.28 2on6A1 LEU 106 HB2 0.15 0.10 0.14 -0.04 1.64 1.99 2on6A1 LEU 106 HB3 0.15 -0.02 0.07 -0.04 1.64 1.80 2on6A1 LEU 106 HG 0.18 0.14 -0.14 -0.04 1.64 1.78 2on6A1 LEU 106 HD13 0.35 -0.04 -0.10 -0.04 0.93 1.10 2on6A1 LEU 106 HD23 0.14 0.00 0.01 -0.04 0.89 1.00 2on6A1 GLY 107 H -0.02 0.28 -0.65 -0.55 8.43 7.49 2on6A1 GLY 107 HA2 -0.03 -0.01 0.29 -0.51 4.01 3.76 2on6A1 GLY 107 HA3 0.01 0.06 0.67 -0.51 4.01 4.24 2on6A1 VAL 108 H 0.05 0.15 -0.21 -0.55 8.24 7.68 2on6A1 VAL 108 HA 0.01 0.05 0.26 -0.75 4.13 3.69 2on6A1 VAL 108 HB 0.06 0.06 -0.22 -0.04 2.12 1.98 2on6A1 VAL 108 HG13 -0.02 -0.04 -0.21 -0.04 0.97 0.66 2on6A1 VAL 108 HG23 -0.13 -0.05 -0.47 -0.04 0.95 0.25 2on6A1 ASP 109 H 0.02 0.62 0.45 -0.55 8.40 8.93 2on6A1 ASP 109 HA 0.07 0.23 0.95 -0.75 4.63 5.12 2on6A1 ASP 109 HB2 0.04 -0.06 0.23 -0.04 2.71 2.88 2on6A1 ASP 109 HB3 0.04 0.12 0.02 -0.04 2.70 2.84 2on6A1 THR 110 H 0.01 0.33 0.37 -0.55 8.28 8.44 2on6A1 THR 110 HA 0.03 0.19 1.26 -0.75 4.39 5.12 2on6A1 THR 110 HB 0.00 -0.05 0.03 -0.04 4.32 4.26 2on6A1 THR 110 HG23 0.03 -0.02 -0.19 -0.04 1.22 1.00 2on6A1 LEU 111 H 0.04 0.93 0.44 -0.55 8.37 9.23 2on6A1 LEU 111 HA -0.00 0.23 1.20 -0.75 4.35 5.02 2on6A1 LEU 111 HB2 0.05 0.03 -0.12 -0.04 1.64 1.55 2on6A1 LEU 111 HB3 0.02 0.02 0.03 -0.04 1.64 1.67 2on6A1 LEU 111 HG 0.01 -0.05 -0.46 -0.04 1.64 1.09 2on6A1 LEU 111 HD13 0.06 0.02 -0.13 -0.04 0.93 0.84 2on6A1 LEU 111 HD23 0.01 -0.03 -0.19 -0.04 0.89 0.64 2on6A1 VAL 112 H -0.00 0.77 0.39 -0.55 8.24 8.84 2on6A1 VAL 112 HA 0.10 0.42 1.25 -0.75 4.13 5.15 2on6A1 VAL 112 HB 0.03 -0.02 0.14 -0.04 2.12 2.23 2on6A1 VAL 112 HG13 0.13 -0.02 -0.24 -0.04 0.97 0.79 2on6A1 VAL 112 HG23 0.15 0.01 -0.22 -0.04 0.95 0.85 2on6A1 VAL 113 H -0.12 0.51 0.39 -0.55 8.24 8.47 2on6A1 VAL 113 HA -0.10 0.19 1.08 -0.75 4.13 4.55 2on6A1 VAL 113 HB -0.12 -0.03 -0.04 -0.04 2.12 1.90 2on6A1 VAL 113 HG13 -0.04 0.01 -0.18 -0.04 0.97 0.72 2on6A1 VAL 113 HG23 -0.13 0.02 -0.02 -0.04 0.95 0.77 2on6A1 THR 114 H -0.17 0.60 0.39 -0.55 8.28 8.55 2on6A1 THR 114 HA -0.53 0.35 1.16 -0.75 4.39 4.62 2on6A1 THR 114 HB -0.68 0.05 0.08 -0.04 4.32 3.72 2on6A1 THR 114 HG23 -0.60 0.03 -0.34 -0.04 1.22 0.27 2on6A1 ASN 115 H -0.14 0.41 0.36 -0.55 8.53 8.62 2on6A1 ASN 115 HA 0.00 -0.05 0.64 -0.75 4.76 4.60 2on6A1 ASN 115 HB2 0.05 -0.10 0.07 -0.04 2.88 2.86 2on6A1 ASN 115 HB3 -0.08 0.11 -0.50 -0.04 2.79 2.28 2on6A1 ASN 115 HD21 -0.76 -0.01 -0.31 -0.04 7.03 5.91 2on6A1 ASN 115 HD22 -0.38 -0.03 -0.35 -0.04 7.74 6.95 2on6A1 ALA 116 H 0.10 0.06 0.17 -0.55 8.40 8.18 2on6A1 ALA 116 HA 0.08 0.33 0.91 -0.75 4.34 4.90 2on6A1 ALA 116 HB3 0.11 -0.03 0.08 -0.04 1.41 1.53 2on6A1 ALA 117 H 0.09 0.52 0.34 -0.55 8.40 8.80 2on6A1 ALA 117 HA 0.14 0.13 0.59 -0.75 4.34 4.44 2on6A1 ALA 117 HB3 0.19 0.01 -0.31 -0.04 1.41 1.25 2on6A1 GLY 118 H 0.06 0.50 0.30 -0.55 8.43 8.75 2on6A1 GLY 118 HA2 0.01 0.17 0.85 -0.51 4.01 4.54 2on6A1 GLY 118 HA3 -0.00 -0.00 0.32 -0.51 4.01 3.81 2on6A1 GLY 119 H 0.03 0.57 0.40 -0.55 8.43 8.89 2on6A1 GLY 119 HA2 0.18 0.16 0.75 -0.51 4.01 4.58 2on6A1 GLY 119 HA3 0.15 0.07 0.29 -0.51 4.01 4.02 2on6A1 LEU 120 H -0.03 0.74 0.35 -0.55 8.37 8.89 2on6A1 LEU 120 HA -0.06 0.09 0.69 -0.75 4.35 4.32 2on6A1 LEU 120 HB2 -0.07 0.00 -0.30 -0.04 1.64 1.23 2on6A1 LEU 120 HB3 -0.07 0.07 -0.21 -0.04 1.64 1.39 2on6A1 LEU 120 HG -0.03 -0.08 -0.42 -0.04 1.64 1.07 2on6A1 LEU 120 HD13 -0.05 -0.02 -0.43 -0.04 0.93 0.38 2on6A1 LEU 120 HD23 -0.04 0.02 -0.17 -0.04 0.89 0.65 2on6A1 ASN 121 H -0.28 0.23 0.31 -0.55 8.53 8.24 2on6A1 ASN 121 HA -0.27 0.16 0.68 -0.75 4.76 4.58 2on6A1 ASN 121 HB2 -0.67 0.02 0.25 -0.04 2.88 2.44 2on6A1 ASN 121 HB3 -1.79 -0.08 0.13 -0.04 2.79 1.01 2on6A1 ASN 121 HD21 -0.17 0.02 0.05 -0.04 7.03 6.88 2on6A1 ASN 121 HD22 -0.26 0.02 0.06 -0.04 7.74 7.52 2on6A1 PRO 122 HA -0.09 0.13 0.32 -0.51 4.44 4.29 2on6A1 PRO 122 HB2 -0.06 0.01 0.00 -0.04 2.28 2.19 2on6A1 PRO 122 HB3 -0.06 0.01 0.09 -0.04 2.02 2.02 2on6A1 PRO 122 HG2 -0.07 0.02 0.09 -0.04 2.03 2.02 2on6A1 PRO 122 HG3 -0.08 0.09 0.11 -0.04 2.03 2.10 2on6A1 PRO 122 HD2 -0.15 0.03 0.22 -0.04 3.68 3.74 2on6A1 PRO 122 HD3 -0.15 0.20 0.33 -0.04 3.65 3.99 2on6A1 LYS 123 H -0.18 0.05 -0.21 -0.55 8.42 7.53 2on6A1 LYS 123 HA -0.00 0.04 0.34 -0.75 4.32 3.95 2on6A1 LYS 123 HB2 -0.06 -0.05 -0.02 -0.04 1.87 1.69 2on6A1 LYS 123 HB3 0.11 0.01 -0.07 -0.04 1.79 1.81 2on6A1 LYS 123 HG2 0.00 0.02 0.03 -0.04 1.46 1.47 2on6A1 LYS 123 HG3 -0.06 -0.04 0.04 -0.04 1.46 1.36 2on6A1 LYS 123 HD2 0.05 -0.00 -0.00 -0.04 1.69 1.69 2on6A1 LYS 123 HD3 0.05 0.02 -0.00 -0.04 1.68 1.70 2on6A1 LYS 123 HE2 -0.03 -0.01 0.02 -0.04 2.99 2.92 2on6A1 LYS 123 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 2on6A1 PHE 124 H -0.10 0.27 -0.49 -0.55 8.34 7.46 2on6A1 PHE 124 HA -0.02 0.03 0.05 -0.75 4.62 3.92 2on6A1 PHE 124 HB2 -0.02 0.04 -0.05 -0.04 3.15 3.07 2on6A1 PHE 124 HB3 -0.02 -0.02 -0.05 -0.04 3.06 2.93 2on6A1 PHE 124 HD2 -0.02 -0.02 -0.13 -0.04 7.28 7.06 2on6A1 PHE 124 HE2 -0.02 -0.02 -0.11 -0.04 7.38 7.19 2on6A1 PHE 124 HZ -0.03 0.10 -0.04 -0.04 7.32 7.31 2on6A1 GLU 125 H 0.08 0.17 0.17 -0.55 8.60 8.48 2on6A1 GLU 125 HA 0.06 0.15 0.73 -0.75 4.29 4.48 2on6A1 GLU 125 HB2 0.04 -0.02 0.02 -0.04 2.09 2.08 2on6A1 GLU 125 HB3 0.02 0.05 0.03 -0.04 1.99 2.05 2on6A1 GLU 125 HG2 0.04 0.18 -0.24 -0.04 2.34 2.29 2on6A1 GLU 125 HG3 0.03 -0.05 -0.01 -0.04 2.34 2.26 2on6A1 VAL 126 H 0.02 0.09 0.03 -0.55 8.24 7.84 2on6A1 VAL 126 HA 0.01 0.15 0.27 -0.75 4.13 3.81 2on6A1 VAL 126 HB 0.00 -0.00 0.09 -0.04 2.12 2.17 2on6A1 VAL 126 HG13 -0.00 0.02 -0.06 -0.04 0.97 0.88 2on6A1 VAL 126 HG23 -0.00 -0.03 -0.09 -0.04 0.95 0.79 2on6A1 GLY 127 H -0.00 0.59 0.29 -0.55 8.43 8.76 2on6A1 GLY 127 HA2 0.01 -0.02 0.32 -0.51 4.01 3.80 2on6A1 GLY 127 HA3 0.01 0.11 0.57 -0.51 4.01 4.19 2on6A1 ASP 128 H -0.03 0.58 -0.28 -0.55 8.40 8.12 2on6A1 ASP 128 HA -0.11 0.05 0.48 -0.75 4.63 4.30 2on6A1 ASP 128 HB2 -0.15 0.00 0.11 -0.04 2.71 2.63 2on6A1 ASP 128 HB3 -0.33 0.04 -0.04 -0.04 2.70 2.32 2on6A1 ILE 129 H -0.35 0.22 0.24 -0.55 8.25 7.81 2on6A1 ILE 129 HA -0.17 0.22 0.87 -0.75 4.18 4.34 2on6A1 ILE 129 HB -0.78 -0.03 0.14 -0.04 1.89 1.18 2on6A1 ILE 129 HG12 -0.23 0.05 -0.04 -0.04 1.49 1.22 2on6A1 ILE 129 HG13 -0.42 0.01 -0.07 -0.04 1.21 0.69 2on6A1 ILE 129 HG23 -0.60 -0.01 -0.25 -0.04 0.93 0.03 2on6A1 ILE 129 HD13 -0.02 0.02 -0.11 -0.04 0.88 0.72 2on6A1 MET 130 H -0.14 0.61 0.20 -0.55 8.47 8.58 2on6A1 MET 130 HA -0.33 0.20 0.83 -0.75 4.52 4.47 2on6A1 MET 130 HB2 -0.61 -0.02 -0.19 -0.04 2.15 1.29 2on6A1 MET 130 HB3 -0.15 -0.06 -0.07 -0.04 2.03 1.71 2on6A1 MET 130 HG2 -0.06 0.26 -0.67 -0.04 2.63 2.12 2on6A1 MET 130 HG3 -0.11 -0.02 -0.52 -0.04 2.56 1.86 2on6A1 MET 130 HE3 0.09 0.03 -0.52 -0.04 2.10 1.66 2on6A1 LEU 131 H -0.16 0.98 0.22 -0.55 8.37 8.86 2on6A1 LEU 131 HA -0.00 0.12 0.73 -0.75 4.35 4.45 2on6A1 LEU 131 HB2 -0.05 0.18 0.23 -0.04 1.64 1.96 2on6A1 LEU 131 HB3 0.01 -0.06 -0.13 -0.04 1.64 1.41 2on6A1 LEU 131 HG 0.21 0.06 0.05 -0.04 1.64 1.93 2on6A1 LEU 131 HD13 0.08 -0.00 -0.11 -0.04 0.93 0.85 2on6A1 LEU 131 HD23 0.19 -0.00 -0.02 -0.04 0.89 1.01 2on6A1 ILE 132 H -0.16 0.57 0.22 -0.55 8.25 8.33 2on6A1 ILE 132 HA -0.17 0.20 0.81 -0.75 4.18 4.28 2on6A1 ILE 132 HB -0.42 -0.01 -0.04 -0.04 1.89 1.38 2on6A1 ILE 132 HG12 -0.11 -0.03 -0.24 -0.04 1.49 1.08 2on6A1 ILE 132 HG13 -0.14 0.02 -0.32 -0.04 1.21 0.73 2on6A1 ILE 132 HG23 -0.75 -0.01 -0.20 -0.04 0.93 -0.06 2on6A1 ILE 132 HD13 -0.32 -0.02 -0.29 -0.04 0.88 0.21 2on6A1 ARG 133 H -0.13 0.50 0.38 -0.55 8.46 8.65 2on6A1 ARG 133 HA -0.04 0.19 0.74 -0.75 4.34 4.48 2on6A1 ARG 133 HB2 -0.00 -0.01 0.04 -0.04 1.90 1.88 2on6A1 ARG 133 HB3 -0.03 -0.06 0.09 -0.04 1.80 1.76 2on6A1 ARG 133 HG2 0.00 -0.01 -0.25 -0.04 1.67 1.36 2on6A1 ARG 133 HG3 0.03 0.05 0.07 -0.04 1.67 1.78 2on6A1 ARG 133 HD2 0.02 -0.00 -0.04 -0.04 3.22 3.16 2on6A1 ARG 133 HD3 0.03 0.01 -0.00 -0.04 3.22 3.22 2on6A1 ASP 134 H -0.19 0.29 0.24 -0.55 8.40 8.20 2on6A1 ASP 134 HA -0.06 0.17 0.56 -0.75 4.63 4.55 2on6A1 ASP 134 HB2 -0.01 0.02 -0.34 -0.04 2.71 2.33 2on6A1 ASP 134 HB3 -0.01 -0.06 -0.11 -0.04 2.70 2.48 2on6A1 HIS 135 H -0.17 0.25 0.18 -0.55 8.41 8.12 2on6A1 HIS 135 HA 0.07 0.25 0.88 -0.75 4.63 5.09 2on6A1 HIS 135 HB2 0.20 0.04 0.08 -0.04 3.26 3.53 2on6A1 HIS 135 HB3 0.19 -0.02 -0.10 -0.04 3.20 3.23 2on6A1 HIS 135 HD2 0.06 -0.09 -0.47 -0.04 6.97 6.43 2on6A1 HIS 135 HE1 0.05 0.07 -0.10 -0.04 7.75 7.72 2on6A1 ILE 136 H 0.13 0.62 0.34 -0.55 8.25 8.79 2on6A1 ILE 136 HA 0.09 0.18 0.74 -0.75 4.18 4.43 2on6A1 ILE 136 HB -0.01 -0.07 0.16 -0.04 1.89 1.92 2on6A1 ILE 136 HG12 0.08 0.07 -0.02 -0.04 1.49 1.57 2on6A1 ILE 136 HG13 0.07 -0.03 -0.44 -0.04 1.21 0.76 2on6A1 ILE 136 HG23 -0.07 -0.01 -0.13 -0.04 0.93 0.68 2on6A1 ILE 136 HD13 0.03 0.02 -0.21 -0.04 0.88 0.67 2on6A1 ASN 137 H -0.11 0.26 -0.04 -0.55 8.53 8.09 2on6A1 ASN 137 HA -0.18 0.13 0.82 -0.75 4.76 4.77 2on6A1 ASN 137 HB2 -0.20 0.05 -0.01 -0.04 2.88 2.68 2on6A1 ASN 137 HB3 -0.16 0.07 0.14 -0.04 2.79 2.80 2on6A1 ASN 137 HD21 -0.05 0.10 -0.01 -0.04 7.03 7.03 2on6A1 ASN 137 HD22 -0.03 0.09 -0.03 -0.04 7.74 7.73 2on6A1 LEU 138 H -0.21 0.41 0.03 -0.55 8.37 8.05 2on6A1 LEU 138 HA -0.45 0.05 0.48 -0.75 4.35 3.68 2on6A1 LEU 138 HB2 -0.08 0.18 0.23 -0.04 1.64 1.93 2on6A1 LEU 138 HB3 -0.04 -0.03 0.05 -0.04 1.64 1.58 2on6A1 LEU 138 HG -0.13 0.01 0.00 -0.04 1.64 1.48 2on6A1 LEU 138 HD13 -0.02 -0.00 -0.03 -0.04 0.93 0.84 2on6A1 LEU 138 HD23 -0.02 0.00 -0.04 -0.04 0.89 0.78 2on6A1 PRO 139 HA -0.00 0.06 0.39 -0.51 4.44 4.37 2on6A1 PRO 139 HB2 -0.03 0.18 -0.04 -0.04 2.28 2.36 2on6A1 PRO 139 HB3 -0.01 0.02 0.04 -0.04 2.02 2.03 2on6A1 PRO 139 HG2 -0.02 0.03 -0.14 -0.04 2.03 1.85 2on6A1 PRO 139 HG3 -0.02 -0.04 -0.06 -0.04 2.03 1.87 2on6A1 PRO 139 HD2 -0.09 -0.01 -0.06 -0.04 3.68 3.48 2on6A1 PRO 139 HD3 -0.07 0.33 0.09 -0.04 3.65 3.96 2on6A1 GLY 140 H -0.10 0.04 -0.46 -0.55 8.43 7.37 2on6A1 GLY 140 HA2 0.02 0.04 -0.03 -0.51 4.01 3.52 2on6A1 GLY 140 HA3 -0.02 0.02 0.15 -0.51 4.01 3.65 2on6A1 PHE 141 H -0.09 0.37 -0.20 -0.55 8.34 7.88 2on6A1 PHE 141 HA 0.03 0.03 0.33 -0.75 4.62 4.25 2on6A1 PHE 141 HB2 0.02 0.12 0.15 -0.04 3.15 3.39 2on6A1 PHE 141 HB3 0.02 -0.02 0.01 -0.04 3.06 3.04 2on6A1 PHE 141 HD2 0.03 -0.00 -0.04 -0.04 7.28 7.23 2on6A1 PHE 141 HE2 0.04 -0.01 -0.04 -0.04 7.38 7.33 2on6A1 PHE 141 HZ 0.04 0.01 -0.03 -0.04 7.32 7.30 2on6A1 SER 142 H 0.12 0.28 -0.44 -0.55 8.46 7.88 2on6A1 SER 142 HA 0.09 0.08 0.26 -0.75 4.49 4.16 2on6A1 SER 142 HB2 0.06 0.10 0.01 -0.04 3.95 4.07 2on6A1 SER 142 HB3 0.05 -0.03 -0.00 -0.04 3.93 3.90 2on6A1 GLY 143 H 0.09 0.39 -0.43 -0.55 8.43 7.93 2on6A1 GLY 143 HA2 0.06 0.04 0.30 -0.51 4.01 3.89 2on6A1 GLY 143 HA3 0.05 0.22 0.92 -0.51 4.01 4.68 2on6A1 GLN 144 H 0.04 0.32 -0.09 -0.55 8.47 8.19 2on6A1 GLN 144 HA 0.03 0.11 0.57 -0.75 4.36 4.31 2on6A1 GLN 144 HB2 0.01 -0.00 0.05 -0.04 2.15 2.17 2on6A1 GLN 144 HB3 0.00 -0.08 0.01 -0.04 2.02 1.91 2on6A1 GLN 144 HG2 0.02 0.05 -0.11 -0.04 2.40 2.32 2on6A1 GLN 144 HG3 0.01 -0.02 -0.02 -0.04 2.39 2.32 2on6A1 GLN 144 HE21 -0.01 0.01 -0.04 -0.04 6.97 6.89 2on6A1 GLN 144 HE22 0.00 0.01 -0.04 -0.04 7.69 7.62 2on6A1 ASN 145 H 0.04 0.60 -0.05 -0.55 8.53 8.57 2on6A1 ASN 145 HA 0.01 0.15 0.80 -0.75 4.76 4.96 2on6A1 ASN 145 HB2 0.04 0.05 -0.14 -0.04 2.88 2.79 2on6A1 ASN 145 HB3 0.04 0.08 0.00 -0.04 2.79 2.87 2on6A1 ASN 145 HD21 0.04 0.05 -0.08 -0.04 7.03 7.00 2on6A1 ASN 145 HD22 0.06 0.01 -0.07 -0.04 7.74 7.69 2on6A1 PRO 146 HA 0.06 -0.03 -0.04 -0.51 4.44 3.92 2on6A1 PRO 146 HB2 -0.02 0.13 -0.18 -0.04 2.28 2.16 2on6A1 PRO 146 HB3 0.01 0.04 -0.07 -0.04 2.02 1.96 2on6A1 PRO 146 HG2 -0.03 0.11 0.02 -0.04 2.03 2.09 2on6A1 PRO 146 HG3 -0.02 -0.11 0.06 -0.04 2.03 1.92 2on6A1 PRO 146 HD2 -0.01 0.13 0.09 -0.04 3.68 3.84 2on6A1 PRO 146 HD3 -0.01 0.10 0.15 -0.04 3.65 3.84 2on6A1 LEU 147 H -0.03 -0.01 -0.51 -0.55 8.37 7.27 2on6A1 LEU 147 HA -0.11 0.18 0.68 -0.75 4.35 4.35 2on6A1 LEU 147 HB2 -0.08 -0.04 -0.12 -0.04 1.64 1.35 2on6A1 LEU 147 HB3 -0.22 0.10 0.02 -0.04 1.64 1.50 2on6A1 LEU 147 HG -0.13 -0.17 -0.18 -0.04 1.64 1.12 2on6A1 LEU 147 HD13 -0.12 0.03 -0.11 -0.04 0.93 0.70 2on6A1 LEU 147 HD23 -0.55 0.03 -0.15 -0.04 0.89 0.18 2on6A1 ARG 148 H 0.02 0.37 -0.19 -0.55 8.46 8.10 2on6A1 ARG 148 HA 0.01 -0.00 0.46 -0.75 4.34 4.06 2on6A1 ARG 148 HB2 0.04 0.01 0.20 -0.04 1.90 2.11 2on6A1 ARG 148 HB3 0.06 -0.07 0.06 -0.04 1.80 1.81 2on6A1 ARG 148 HG2 0.03 0.03 -0.17 -0.04 1.67 1.51 2on6A1 ARG 148 HG3 0.03 -0.05 0.10 -0.04 1.67 1.71 2on6A1 ARG 148 HD2 0.04 0.16 0.13 -0.04 3.22 3.51 2on6A1 ARG 148 HD3 0.05 -0.08 0.01 -0.04 3.22 3.16 2on6A1 GLY 149 H -0.01 0.05 0.16 -0.55 8.43 8.09 2on6A1 GLY 149 HA2 -0.02 0.03 0.36 -0.51 4.01 3.87 2on6A1 GLY 149 HA3 -0.03 0.16 0.91 -0.51 4.01 4.55 2on6A1 PRO 150 HA -0.03 -0.02 0.55 -0.51 4.44 4.42 2on6A1 PRO 150 HB2 -0.01 -0.01 0.01 -0.04 2.28 2.23 2on6A1 PRO 150 HB3 -0.01 0.01 0.09 -0.04 2.02 2.06 2on6A1 PRO 150 HG2 -0.04 0.02 0.11 -0.04 2.03 2.08 2on6A1 PRO 150 HG3 -0.03 0.03 0.11 -0.04 2.03 2.10 2on6A1 PRO 150 HD2 -0.05 0.07 0.26 -0.04 3.68 3.93 2on6A1 PRO 150 HD3 -0.04 0.16 0.23 -0.04 3.65 3.96 2on6A1 ASN 151 H -0.04 0.05 0.20 -0.55 8.53 8.19 2on6A1 ASN 151 HA 0.01 0.24 0.79 -0.75 4.76 5.05 2on6A1 ASN 151 HB2 -0.08 0.08 0.10 -0.04 2.88 2.95 2on6A1 ASN 151 HB3 -0.03 -0.12 0.09 -0.04 2.79 2.68 2on6A1 ASN 151 HD21 0.07 0.53 -0.28 -0.04 7.03 7.32 2on6A1 ASN 151 HD22 0.01 -0.19 -0.27 -0.04 7.74 7.25 2on6A1 ASP 152 H 0.17 0.26 0.09 -0.55 8.40 8.37 2on6A1 ASP 152 HA 0.03 0.17 1.04 -0.75 4.63 5.11 2on6A1 ASP 152 HB2 0.21 0.07 0.07 -0.04 2.71 3.02 2on6A1 ASP 152 HB3 0.39 0.02 0.19 -0.04 2.70 3.26 2on6A1 GLU 153 H -0.03 0.19 0.05 -0.55 8.60 8.27 2on6A1 GLU 153 HA -0.02 0.53 0.52 -0.75 4.29 4.57 2on6A1 GLU 153 HB2 -0.05 0.02 0.10 -0.04 2.09 2.12 2on6A1 GLU 153 HB3 -0.03 -0.00 0.09 -0.04 1.99 2.01 2on6A1 GLU 153 HG2 -0.07 0.01 -0.03 -0.04 2.34 2.21 2on6A1 GLU 153 HG3 -0.04 -0.01 0.03 -0.04 2.34 2.29 2on6A1 ARG 154 H -0.20 -0.04 -0.45 -0.55 8.46 7.22 2on6A1 ARG 154 HA -0.19 0.16 0.72 -0.75 4.34 4.27 2on6A1 ARG 154 HB2 -0.78 -0.09 0.02 -0.04 1.90 1.01 2on6A1 ARG 154 HB3 -0.61 0.07 0.04 -0.04 1.80 1.26 2on6A1 ARG 154 HG2 -0.28 0.07 0.02 -0.04 1.67 1.44 2on6A1 ARG 154 HG3 -0.29 -0.08 -0.05 -0.04 1.67 1.20 2on6A1 ARG 154 HD2 -0.82 0.04 -0.00 -0.04 3.22 2.40 2on6A1 ARG 154 HD3 -0.35 -0.01 -0.01 -0.04 3.22 2.82 2on6A1 PHE 155 H 0.01 0.41 -0.09 -0.55 8.34 8.11 2on6A1 PHE 155 HA -0.07 0.24 1.02 -0.75 4.62 5.05 2on6A1 PHE 155 HB2 0.08 0.04 0.09 -0.04 3.15 3.32 2on6A1 PHE 155 HB3 -0.06 0.04 -0.04 -0.04 3.06 2.96 2on6A1 PHE 155 HD2 0.02 0.05 0.04 -0.04 7.28 7.35 2on6A1 PHE 155 HE2 0.07 -0.01 -0.04 -0.04 7.38 7.37 2on6A1 PHE 155 HZ -0.40 -0.07 -0.04 -0.04 7.32 6.76 2on6A1 GLY 156 H -0.08 0.14 0.07 -0.55 8.43 8.02 2on6A1 GLY 156 HA2 -0.23 0.04 0.48 -0.51 4.01 3.78 2on6A1 GLY 156 HA3 -0.84 0.36 0.29 -0.51 4.01 3.32 2on6A1 ASP 157 H -0.15 0.17 0.10 -0.55 8.40 7.98 2on6A1 ASP 157 HA -0.01 0.09 0.49 -0.75 4.63 4.45 2on6A1 ASP 157 HB2 0.05 0.02 -0.09 -0.04 2.71 2.65 2on6A1 ASP 157 HB3 0.04 -0.12 0.02 -0.04 2.70 2.61 2on6A1 ARG 158 H -0.06 0.09 0.12 -0.55 8.46 8.06 2on6A1 ARG 158 HA -0.17 0.11 0.45 -0.75 4.34 3.98 2on6A1 ARG 158 HB2 -0.28 -0.01 0.15 -0.04 1.90 1.72 2on6A1 ARG 158 HB3 -0.44 -0.06 0.15 -0.04 1.80 1.41 2on6A1 ARG 158 HG2 -1.40 -0.03 -0.01 -0.04 1.67 0.18 2on6A1 ARG 158 HG3 -2.06 0.06 -0.29 -0.04 1.67 -0.67 2on6A1 ARG 158 HD2 -0.28 -0.06 0.08 -0.04 3.22 2.91 2on6A1 ARG 158 HD3 -0.39 -0.01 0.02 -0.04 3.22 2.80 2on6A1 PHE 159 H 0.04 -0.02 -0.32 -0.55 8.34 7.48 2on6A1 PHE 159 HA 0.05 0.20 0.54 -0.75 4.62 4.65 2on6A1 PHE 159 HB2 0.03 -0.05 0.11 -0.04 3.15 3.20 2on6A1 PHE 159 HB3 0.03 0.02 0.05 -0.04 3.06 3.13 2on6A1 PHE 159 HD2 0.03 0.02 -0.05 -0.04 7.28 7.24 2on6A1 PHE 159 HE2 0.02 0.00 -0.03 -0.04 7.38 7.33 2on6A1 PHE 159 HZ 0.02 -0.00 -0.02 -0.04 7.32 7.27 2on6A1 PRO 160 HA 0.10 0.03 0.39 -0.51 4.44 4.45 2on6A1 PRO 160 HB2 0.10 0.11 -0.18 -0.04 2.28 2.26 2on6A1 PRO 160 HB3 0.14 0.05 0.02 -0.04 2.02 2.19 2on6A1 PRO 160 HG2 0.11 -0.06 -0.10 -0.04 2.03 1.94 2on6A1 PRO 160 HG3 0.21 0.08 -0.06 -0.04 2.03 2.22 2on6A1 PRO 160 HD2 0.10 0.15 0.05 -0.04 3.68 3.94 2on6A1 PRO 160 HD3 0.19 0.38 -0.26 -0.04 3.65 3.92 2on6A1 ALA 161 H 0.06 0.16 0.16 -0.55 8.40 8.24 2on6A1 ALA 161 HA 0.07 0.12 0.54 -0.75 4.34 4.31 2on6A1 ALA 161 HB3 0.04 -0.01 0.07 -0.04 1.41 1.48 2on6A1 MET 162 H 0.05 0.10 0.19 -0.55 8.47 8.26 2on6A1 MET 162 HA 0.02 0.32 0.95 -0.75 4.52 5.05 2on6A1 MET 162 HB2 0.07 0.00 0.01 -0.04 2.15 2.19 2on6A1 MET 162 HB3 0.03 -0.04 0.08 -0.04 2.03 2.06 2on6A1 MET 162 HG2 0.08 0.02 -0.61 -0.04 2.63 2.08 2on6A1 MET 162 HG3 0.12 -0.02 -0.13 -0.04 2.56 2.49 2on6A1 MET 162 HE3 0.07 0.08 -0.19 -0.04 2.10 2.01 2on6A1 SER 163 H 0.03 0.04 0.09 -0.55 8.46 8.07 2on6A1 SER 163 HA 0.02 0.09 0.37 -0.75 4.49 4.22 2on6A1 SER 163 HB2 0.03 0.06 0.03 -0.04 3.95 4.03 2on6A1 SER 163 HB3 0.03 0.02 0.13 -0.04 3.93 4.07 2on6A1 ASP 164 H 0.02 0.05 -0.43 -0.55 8.40 7.49 2on6A1 ASP 164 HA 0.04 0.23 0.81 -0.75 4.63 4.96 2on6A1 ASP 164 HB2 0.03 0.01 0.12 -0.04 2.71 2.83 2on6A1 ASP 164 HB3 0.03 -0.02 -0.03 -0.04 2.70 2.63 2on6A1 ALA 165 H -0.01 0.47 -0.25 -0.55 8.40 8.07 2on6A1 ALA 165 HA -0.10 0.09 0.23 -0.75 4.34 3.80 2on6A1 ALA 165 HB3 -0.25 -0.02 0.03 -0.04 1.41 1.12 2on6A1 TYR 166 H 0.17 0.12 -0.22 -0.55 8.29 7.81 2on6A1 TYR 166 HA 0.04 0.21 0.71 -0.75 4.56 4.77 2on6A1 TYR 166 HB2 0.01 0.08 0.11 -0.04 3.06 3.22 2on6A1 TYR 166 HB3 0.03 0.10 0.07 -0.04 2.98 3.14 2on6A1 TYR 166 HD2 -0.06 0.03 -0.15 -0.04 7.15 6.93 2on6A1 TYR 166 HE2 -0.13 -0.07 -0.22 -0.04 6.85 6.39 2on6A1 ASP 167 H 0.09 0.45 0.35 -0.55 8.40 8.75 2on6A1 ASP 167 HA 0.07 0.02 0.31 -0.75 4.63 4.28 2on6A1 ASP 167 HB2 0.08 0.08 0.25 -0.04 2.71 3.08 2on6A1 ASP 167 HB3 0.13 -0.07 0.18 -0.04 2.70 2.90 2on6A1 ARG 168 H 0.07 0.15 0.21 -0.55 8.46 8.33 2on6A1 ARG 168 HA 0.09 0.14 0.53 -0.75 4.34 4.34 2on6A1 ARG 168 HB2 0.05 0.08 0.19 -0.04 1.90 2.18 2on6A1 ARG 168 HB3 0.04 -0.03 0.14 -0.04 1.80 1.91 2on6A1 ARG 168 HG2 0.04 -0.04 -0.04 -0.04 1.67 1.60 2on6A1 ARG 168 HG3 0.05 0.01 0.10 -0.04 1.67 1.80 2on6A1 ARG 168 HD2 0.03 -0.01 0.02 -0.04 3.22 3.22 2on6A1 ARG 168 HD3 0.04 0.03 0.05 -0.04 3.22 3.30 2on6A1 THR 169 H 0.04 0.13 -0.01 -0.55 8.28 7.89 2on6A1 THR 169 HA 0.03 0.03 0.44 -0.75 4.39 4.13 2on6A1 THR 169 HB 0.02 0.02 0.08 -0.04 4.32 4.40 2on6A1 THR 169 HG23 0.00 0.03 -0.04 -0.04 1.22 1.17 2on6A1 MET 170 H 0.05 0.11 -0.35 -0.55 8.47 7.73 2on6A1 MET 170 HA -0.08 0.11 0.23 -0.75 4.52 4.02 2on6A1 MET 170 HB2 0.12 0.08 0.05 -0.04 2.15 2.36 2on6A1 MET 170 HB3 -0.09 -0.01 -0.10 -0.04 2.03 1.79 2on6A1 MET 170 HG2 0.00 -0.05 -0.04 -0.04 2.63 2.50 2on6A1 MET 170 HG3 0.00 0.01 -0.11 -0.04 2.56 2.42 2on6A1 MET 170 HE3 -0.47 0.00 -0.15 -0.04 2.10 1.44 2on6A1 ARG 171 H 0.11 0.37 -0.30 -0.55 8.46 8.10 2on6A1 ARG 171 HA 0.23 0.05 0.45 -0.75 4.34 4.32 2on6A1 ARG 171 HB2 0.12 0.10 0.18 -0.04 1.90 2.26 2on6A1 ARG 171 HB3 0.12 -0.09 -0.00 -0.04 1.80 1.79 2on6A1 ARG 171 HG2 0.28 -0.08 -0.04 -0.04 1.67 1.79 2on6A1 ARG 171 HG3 0.30 0.10 -0.06 -0.04 1.67 1.97 2on6A1 ARG 171 HD2 0.08 -0.14 -0.10 -0.04 3.22 3.03 2on6A1 ARG 171 HD3 0.10 0.21 -0.10 -0.04 3.22 3.39 2on6A1 GLN 172 H 0.05 0.53 0.03 -0.55 8.47 8.53 2on6A1 GLN 172 HA 0.05 0.02 0.68 -0.75 4.36 4.35 2on6A1 GLN 172 HB2 0.03 0.13 0.24 -0.04 2.15 2.51 2on6A1 GLN 172 HB3 0.03 -0.03 0.06 -0.04 2.02 2.03 2on6A1 GLN 172 HG2 0.03 -0.03 0.06 -0.04 2.40 2.42 2on6A1 GLN 172 HG3 0.04 -0.03 0.06 -0.04 2.39 2.42 2on6A1 GLN 172 HE21 0.03 -0.03 -0.03 -0.04 6.97 6.90 2on6A1 GLN 172 HE22 0.03 -0.02 0.01 -0.04 7.69 7.67 2on6A1 ARG 173 H 0.00 0.72 0.06 -0.55 8.46 8.70 2on6A1 ARG 173 HA 0.00 -0.05 0.37 -0.75 4.34 3.91 2on6A1 ARG 173 HB2 -0.06 0.09 0.05 -0.04 1.90 1.94 2on6A1 ARG 173 HB3 -0.06 0.01 0.16 -0.04 1.80 1.87 2on6A1 ARG 173 HG2 -0.00 -0.12 0.05 -0.04 1.67 1.56 2on6A1 ARG 173 HG3 -0.01 0.03 0.06 -0.04 1.67 1.71 2on6A1 ARG 173 HD2 -0.03 0.21 0.09 -0.04 3.22 3.44 2on6A1 ARG 173 HD3 -0.02 -0.05 0.07 -0.04 3.22 3.18 2on6A1 ALA 174 H 0.02 0.10 -1.08 -0.55 8.40 6.89 2on6A1 ALA 174 HA -0.01 0.13 0.80 -0.75 4.34 4.50 2on6A1 ALA 174 HB3 -0.01 0.02 -0.00 -0.04 1.41 1.38 2on6A1 LEU 175 H 0.09 0.44 0.13 -0.55 8.37 8.48 2on6A1 LEU 175 HA 0.13 0.03 0.69 -0.75 4.35 4.44 2on6A1 LEU 175 HB2 0.07 0.05 0.31 -0.04 1.64 2.03 2on6A1 LEU 175 HB3 0.07 -0.07 0.11 -0.04 1.64 1.71 2on6A1 LEU 175 HG 0.07 0.11 0.13 -0.04 1.64 1.90 2on6A1 LEU 175 HD13 0.05 -0.03 -0.06 -0.04 0.93 0.85 2on6A1 LEU 175 HD23 -0.01 -0.03 -0.01 -0.04 0.89 0.80 2on6A1 SER 176 H 0.07 0.63 0.06 -0.55 8.46 8.68 2on6A1 SER 176 HA 0.08 -0.02 0.28 -0.75 4.49 4.07 2on6A1 SER 176 HB2 0.04 0.09 -0.03 -0.04 3.95 4.02 2on6A1 SER 176 HB3 0.04 -0.03 -0.01 -0.04 3.93 3.90 2on6A1 THR 177 H 0.12 0.19 -0.57 -0.55 8.28 7.47 2on6A1 THR 177 HA 0.09 0.00 0.07 -0.75 4.39 3.80 2on6A1 THR 177 HB 0.23 0.12 -0.03 -0.04 4.32 4.60 2on6A1 THR 177 HG23 0.08 -0.01 -0.10 -0.04 1.22 1.16 2on6A1 TRP 178 H 0.35 0.50 -0.73 -0.55 7.97 7.54 2on6A1 TRP 178 HA 0.04 0.07 0.40 -0.75 4.62 4.37 2on6A1 TRP 178 HB2 0.01 0.10 0.10 -0.04 3.23 3.40 2on6A1 TRP 178 HB3 -0.00 0.07 0.15 -0.04 3.23 3.41 2on6A1 TRP 178 HD1 -0.06 -0.02 -0.02 -0.04 7.22 7.08 2on6A1 TRP 178 HE1 -0.10 0.23 0.09 -0.04 10.20 10.38 2on6A1 TRP 178 HE3 -0.86 0.07 -0.06 -0.04 7.59 6.71 2on6A1 TRP 178 HZ2 -0.17 0.07 -0.12 -0.04 7.44 7.18 2on6A1 TRP 178 HZ3 -0.74 0.00 -0.05 -0.04 7.13 6.29 2on6A1 TRP 178 HH2 -0.26 -0.03 -0.04 -0.04 7.19 6.82 2on6A1 LYS 179 H 0.17 0.45 0.03 -0.55 8.42 8.52 2on6A1 LYS 179 HA -0.03 -0.01 0.49 -0.75 4.32 4.01 2on6A1 LYS 179 HB2 0.03 0.03 0.16 -0.04 1.87 2.05 2on6A1 LYS 179 HB3 0.02 -0.07 0.10 -0.04 1.79 1.80 2on6A1 LYS 179 HG2 0.10 0.21 0.15 -0.04 1.46 1.88 2on6A1 LYS 179 HG3 0.06 -0.08 0.04 -0.04 1.46 1.44 2on6A1 LYS 179 HD2 0.22 0.05 0.05 -0.04 1.69 1.96 2on6A1 LYS 179 HD3 0.12 -0.06 -0.03 -0.04 1.68 1.66 2on6A1 LYS 179 HE2 0.07 -0.01 0.07 -0.04 2.99 3.08 2on6A1 LYS 179 HE3 0.17 -0.02 0.01 -0.04 2.99 3.10 2on6A1 GLN 180 H 0.02 0.40 -0.18 -0.55 8.47 8.16 2on6A1 GLN 180 HA -0.04 0.01 0.31 -0.75 4.36 3.89 2on6A1 GLN 180 HB2 0.01 0.11 0.06 -0.04 2.15 2.29 2on6A1 GLN 180 HB3 -0.01 -0.04 0.10 -0.04 2.02 2.04 2on6A1 GLN 180 HG2 0.01 -0.06 -0.02 -0.04 2.40 2.28 2on6A1 GLN 180 HG3 0.02 0.08 0.06 -0.04 2.39 2.52 2on6A1 GLN 180 HE21 0.02 -0.02 -0.12 -0.04 6.97 6.82 2on6A1 GLN 180 HE22 0.03 -0.03 -0.06 -0.04 7.69 7.59 2on6A1 MET 181 H -0.18 0.31 -0.77 -0.55 8.47 7.27 2on6A1 MET 181 HA -0.11 0.06 0.33 -0.75 4.52 4.04 2on6A1 MET 181 HB2 -0.51 0.01 -0.07 -0.04 2.15 1.53 2on6A1 MET 181 HB3 -0.21 -0.11 0.11 -0.04 2.03 1.78 2on6A1 MET 181 HG2 -0.02 0.15 -0.13 -0.04 2.63 2.58 2on6A1 MET 181 HG3 -0.08 0.15 -0.03 -0.04 2.56 2.56 2on6A1 MET 181 HE3 -0.18 -0.00 0.01 -0.04 2.10 1.88 2on6A1 GLY 182 H -0.18 0.60 0.34 -0.55 8.43 8.65 2on6A1 GLY 182 HA2 -0.16 0.02 0.46 -0.51 4.01 3.83 2on6A1 GLY 182 HA3 -0.13 -0.05 0.44 -0.51 4.01 3.77 2on6A1 GLU 183 H -0.40 0.18 0.09 -0.55 8.60 7.92 2on6A1 GLU 183 HA -0.26 0.15 0.97 -0.75 4.29 4.38 2on6A1 GLU 183 HB2 -1.06 0.03 0.04 -0.04 2.09 1.05 2on6A1 GLU 183 HB3 -0.32 -0.02 0.02 -0.04 1.99 1.63 2on6A1 GLU 183 HG2 -0.91 0.03 -0.37 -0.04 2.34 1.04 2on6A1 GLU 183 HG3 -2.49 -0.01 -0.05 -0.04 2.34 -0.25 2on6A1 GLN 184 H -0.07 0.10 0.14 -0.55 8.47 8.08 2on6A1 GLN 184 HA -0.01 0.10 0.52 -0.75 4.36 4.21 2on6A1 GLN 184 HB2 0.00 -0.07 0.10 -0.04 2.15 2.14 2on6A1 GLN 184 HB3 0.00 -0.01 0.02 -0.04 2.02 1.99 2on6A1 GLN 184 HG2 -0.02 -0.02 0.03 -0.04 2.40 2.36 2on6A1 GLN 184 HG3 -0.03 0.04 0.01 -0.04 2.39 2.36 2on6A1 GLN 184 HE21 -0.03 0.01 0.05 -0.04 6.97 6.96 2on6A1 GLN 184 HE22 -0.02 -0.02 0.03 -0.04 7.69 7.64 2on6A1 ARG 185 H 0.07 0.03 0.03 -0.55 8.46 8.04 2on6A1 ARG 185 HA 0.08 0.05 0.66 -0.75 4.34 4.37 2on6A1 ARG 185 HB2 0.15 -0.01 0.06 -0.04 1.90 2.06 2on6A1 ARG 185 HB3 0.07 0.07 0.02 -0.04 1.80 1.92 2on6A1 ARG 185 HG2 0.04 -0.06 -0.02 -0.04 1.67 1.59 2on6A1 ARG 185 HG3 0.05 0.02 -0.00 -0.04 1.67 1.69 2on6A1 ARG 185 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.18 2on6A1 ARG 185 HD3 0.02 0.01 -0.03 -0.04 3.22 3.18 2on6A1 GLU 186 H 0.09 0.06 0.12 -0.55 8.60 8.33 2on6A1 GLU 186 HA 0.39 0.15 0.61 -0.75 4.29 4.68 2on6A1 GLU 186 HB2 0.08 0.00 0.11 -0.04 2.09 2.24 2on6A1 GLU 186 HB3 0.02 -0.01 -0.06 -0.04 1.99 1.90 2on6A1 GLU 186 HG2 0.06 0.04 0.06 -0.04 2.34 2.46 2on6A1 GLU 186 HG3 0.15 0.03 0.06 -0.04 2.34 2.54 2on6A1 LEU 187 H -0.25 0.11 0.12 -0.55 8.37 7.81 2on6A1 LEU 187 HA -1.02 0.06 0.54 -0.75 4.35 3.19 2on6A1 LEU 187 HB2 -1.80 0.02 0.13 -0.04 1.64 -0.06 2on6A1 LEU 187 HB3 -0.43 -0.05 0.13 -0.04 1.64 1.25 2on6A1 LEU 187 HG -0.42 0.09 -0.21 -0.04 1.64 1.06 2on6A1 LEU 187 HD13 -1.29 0.00 -0.03 -0.04 0.93 -0.43 2on6A1 LEU 187 HD23 -0.17 -0.00 -0.09 -0.04 0.89 0.59 2on6A1 GLN 188 H -0.46 0.56 0.40 -0.55 8.47 8.42 2on6A1 GLN 188 HA -0.14 0.13 0.75 -0.75 4.36 4.33 2on6A1 GLN 188 HB2 -0.57 -0.03 0.14 -0.04 2.15 1.64 2on6A1 GLN 188 HB3 -0.36 -0.02 0.11 -0.04 2.02 1.71 2on6A1 GLN 188 HG2 -0.30 0.15 0.01 -0.04 2.40 2.22 2on6A1 GLN 188 HG3 -0.61 -0.10 -0.04 -0.04 2.39 1.60 2on6A1 GLN 188 HE21 0.15 -0.01 -0.10 -0.04 6.97 6.97 2on6A1 GLN 188 HE22 0.00 -0.01 -0.07 -0.04 7.69 7.58 2on6A1 GLU 189 H -0.01 0.23 0.24 -0.55 8.60 8.52 2on6A1 GLU 189 HA -0.05 0.21 0.71 -0.75 4.29 4.41 2on6A1 GLU 189 HB2 -0.03 0.05 -0.13 -0.04 2.09 1.94 2on6A1 GLU 189 HB3 0.01 -0.02 0.03 -0.04 1.99 1.97 2on6A1 GLU 189 HG2 -0.00 -0.11 0.04 -0.04 2.34 2.23 2on6A1 GLU 189 HG3 -0.00 0.03 0.00 -0.04 2.34 2.33 2on6A1 GLY 190 H -0.01 0.24 0.25 -0.55 8.43 8.36 2on6A1 GLY 190 HA2 0.05 0.07 0.41 -0.51 4.01 4.03 2on6A1 GLY 190 HA3 0.13 0.09 0.45 -0.51 4.01 4.16 2on6A1 THR 191 H 0.05 0.21 0.20 -0.55 8.28 8.18 2on6A1 THR 191 HA 0.01 0.25 0.82 -0.75 4.39 4.72 2on6A1 THR 191 HB 0.02 0.04 0.19 -0.04 4.32 4.53 2on6A1 THR 191 HG23 0.04 -0.01 -0.45 -0.04 1.22 0.76 2on6A1 TYR 192 H 0.12 0.75 0.41 -0.55 8.29 9.01 2on6A1 TYR 192 HA 0.02 0.16 0.91 -0.75 4.56 4.90 2on6A1 TYR 192 HB2 -0.03 0.02 -0.09 -0.04 3.06 2.92 2on6A1 TYR 192 HB3 -0.01 0.04 0.11 -0.04 2.98 3.08 2on6A1 TYR 192 HD2 0.02 -0.04 -0.28 -0.04 7.15 6.81 2on6A1 TYR 192 HE2 0.01 0.05 -0.15 -0.04 6.85 6.72 2on6A1 VAL 193 H -0.34 0.81 0.41 -0.55 8.24 8.56 2on6A1 VAL 193 HA -0.10 0.16 1.17 -0.75 4.13 4.61 2on6A1 VAL 193 HB -0.08 -0.01 0.03 -0.04 2.12 2.02 2on6A1 VAL 193 HG13 -0.14 0.03 0.01 -0.04 0.97 0.83 2on6A1 VAL 193 HG23 -0.09 0.01 -0.03 -0.04 0.95 0.81 2on6A1 MET 194 H -0.11 0.50 0.32 -0.55 8.47 8.64 2on6A1 MET 194 HA -0.19 0.28 1.06 -0.75 4.52 4.92 2on6A1 MET 194 HB2 0.15 -0.01 0.08 -0.04 2.15 2.33 2on6A1 MET 194 HB3 -0.05 -0.07 0.18 -0.04 2.03 2.04 2on6A1 MET 194 HG2 -0.01 -0.08 -0.48 -0.04 2.63 2.02 2on6A1 MET 194 HG3 0.05 0.13 -0.04 -0.04 2.56 2.66 2on6A1 MET 194 HE3 0.06 0.02 -0.20 -0.04 2.10 1.94 2on6A1 VAL 195 H -0.05 0.64 0.35 -0.55 8.24 8.63 2on6A1 VAL 195 HA -0.03 0.14 0.68 -0.75 4.13 4.17 2on6A1 VAL 195 HB -0.02 -0.06 0.09 -0.04 2.12 2.09 2on6A1 VAL 195 HG13 -0.05 0.02 -0.20 -0.04 0.97 0.69 2on6A1 VAL 195 HG23 -0.02 0.00 -0.22 -0.04 0.95 0.67 2on6A1 ALA 196 H -0.00 0.15 0.14 -0.55 8.40 8.14 2on6A1 ALA 196 HA 0.06 0.10 0.03 -0.75 4.34 3.77 2on6A1 ALA 196 HB3 0.02 0.02 0.05 -0.04 1.41 1.46 2on6A1 GLY 197 H -0.01 -0.09 -0.16 -0.55 8.43 7.62 2on6A1 GLY 197 HA2 -0.09 0.14 0.25 -0.51 4.01 3.79 2on6A1 GLY 197 HA3 -0.16 0.07 0.48 -0.51 4.01 3.89 2on6A1 PRO 198 HA -0.50 0.04 0.34 -0.51 4.44 3.81 2on6A1 PRO 198 HB2 -0.49 -0.02 0.05 -0.04 2.28 1.78 2on6A1 PRO 198 HB3 -0.64 0.04 0.09 -0.04 2.02 1.47 2on6A1 PRO 198 HG2 -0.17 -0.02 -0.05 -0.04 2.03 1.76 2on6A1 PRO 198 HG3 -0.08 0.13 0.08 -0.04 2.03 2.13 2on6A1 PRO 198 HD2 -0.08 0.02 0.02 -0.04 3.68 3.60 2on6A1 PRO 198 HD3 -0.00 0.22 0.50 -0.04 3.65 4.32 2on6A1 SER 199 H -0.16 0.10 -0.04 -0.55 8.46 7.82 2on6A1 SER 199 HA -0.28 0.13 0.63 -0.75 4.49 4.21 2on6A1 SER 199 HB2 -0.05 0.04 0.10 -0.04 3.95 4.00 2on6A1 SER 199 HB3 -0.10 0.03 0.06 -0.04 3.93 3.89 2on6A1 PHE 200 H 0.02 0.12 0.11 -0.55 8.34 8.05 2on6A1 PHE 200 HA -0.05 0.14 0.66 -0.75 4.62 4.62 2on6A1 PHE 200 HB2 -0.03 0.04 0.05 -0.04 3.15 3.17 2on6A1 PHE 200 HB3 -0.02 -0.02 0.04 -0.04 3.06 3.02 2on6A1 PHE 200 HD2 -0.03 0.06 -0.07 -0.04 7.28 7.20 2on6A1 PHE 200 HE2 0.01 -0.06 -0.18 -0.04 7.38 7.11 2on6A1 PHE 200 HZ 0.08 -0.03 -0.21 -0.04 7.32 7.12 2on6A1 GLU 201 H 0.17 0.07 0.09 -0.55 8.60 8.38 2on6A1 GLU 201 HA 0.05 0.02 0.17 -0.75 4.29 3.77 2on6A1 GLU 201 HB2 0.02 -0.02 0.06 -0.04 2.09 2.10 2on6A1 GLU 201 HB3 0.01 0.06 -0.03 -0.04 1.99 1.99 2on6A1 GLU 201 HG2 0.01 0.05 -0.11 -0.04 2.34 2.25 2on6A1 GLU 201 HG3 0.02 0.01 -0.07 -0.04 2.34 2.26 2on6A1 THR 202 H 0.03 0.08 0.16 -0.55 8.28 8.00 2on6A1 THR 202 HA 0.04 0.24 0.77 -0.75 4.39 4.68 2on6A1 THR 202 HB 0.07 -0.04 0.19 -0.04 4.32 4.49 2on6A1 THR 202 HG23 0.04 0.06 0.08 -0.04 1.22 1.36 2on6A1 VAL 203 H 0.02 0.20 0.11 -0.55 8.24 8.03 2on6A1 VAL 203 HA -0.11 0.34 0.52 -0.75 4.13 4.13 2on6A1 VAL 203 HB -0.32 -0.06 0.02 -0.04 2.12 1.73 2on6A1 VAL 203 HG13 -0.53 -0.02 -0.33 -0.04 0.97 0.04 2on6A1 VAL 203 HG23 -0.24 0.04 -0.21 -0.04 0.95 0.50 2on6A1 ALA 204 H 0.07 0.09 -0.07 -0.55 8.40 7.95 2on6A1 ALA 204 HA 0.03 0.14 0.39 -0.75 4.34 4.14 2on6A1 ALA 204 HB3 0.08 0.03 0.07 -0.04 1.41 1.55 2on6A1 GLU 205 H 0.02 -0.04 -0.47 -0.55 8.60 7.56 2on6A1 GLU 205 HA 0.01 0.10 0.31 -0.75 4.29 3.95 2on6A1 GLU 205 HB2 0.01 -0.05 0.12 -0.04 2.09 2.13 2on6A1 GLU 205 HB3 0.01 0.04 -0.01 -0.04 1.99 1.98 2on6A1 GLU 205 HG2 0.01 0.08 -0.01 -0.04 2.34 2.38 2on6A1 GLU 205 HG3 0.02 -0.05 -0.04 -0.04 2.34 2.23 2on6A1 CYS 206 H -0.02 0.62 -0.16 -0.55 8.50 8.39 2on6A1 CYS 206 HA -0.03 -0.05 0.35 -0.75 4.58 4.09 2on6A1 CYS 206 HB2 -0.04 -0.03 0.01 -0.04 2.97 2.87 2on6A1 CYS 206 HB3 -0.06 0.17 0.20 -0.04 2.97 3.24 2on6A1 ARG 207 H -0.04 0.62 -0.16 -0.55 8.46 8.33 2on6A1 ARG 207 HA -0.04 0.03 0.38 -0.75 4.34 3.96 2on6A1 ARG 207 HB2 -0.01 0.08 0.15 -0.04 1.90 2.08 2on6A1 ARG 207 HB3 -0.01 -0.03 0.02 -0.04 1.80 1.74 2on6A1 ARG 207 HG2 -0.08 0.08 0.05 -0.04 1.67 1.69 2on6A1 ARG 207 HG3 -0.04 -0.06 0.01 -0.04 1.67 1.54 2on6A1 ARG 207 HD2 -0.05 -0.02 0.02 -0.04 3.22 3.14 2on6A1 ARG 207 HD3 -0.06 0.05 0.05 -0.04 3.22 3.23 2on6A1 VAL 208 H -0.01 0.45 -0.18 -0.55 8.24 7.96 2on6A1 VAL 208 HA 0.00 0.02 0.40 -0.75 4.13 3.80 2on6A1 VAL 208 HB 0.00 0.17 0.18 -0.04 2.12 2.44 2on6A1 VAL 208 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 2on6A1 VAL 208 HG23 0.01 0.04 0.02 -0.04 0.95 0.98 2on6A1 LEU 209 H -0.01 0.59 -0.08 -0.55 8.37 8.32 2on6A1 LEU 209 HA -0.01 -0.00 0.32 -0.75 4.35 3.91 2on6A1 LEU 209 HB2 -0.03 0.11 0.03 -0.04 1.64 1.71 2on6A1 LEU 209 HB3 -0.04 -0.08 -0.03 -0.04 1.64 1.45 2on6A1 LEU 209 HG -0.02 0.21 -0.04 -0.04 1.64 1.75 2on6A1 LEU 209 HD13 -0.04 -0.03 -0.12 -0.04 0.93 0.70 2on6A1 LEU 209 HD23 -0.02 -0.02 -0.09 -0.04 0.89 0.71 2on6A1 GLN 210 H -0.03 0.53 -0.23 -0.55 8.47 8.19 2on6A1 GLN 210 HA -0.04 0.11 0.52 -0.75 4.36 4.19 2on6A1 GLN 210 HB2 -0.04 0.06 0.14 -0.04 2.15 2.28 2on6A1 GLN 210 HB3 -0.05 -0.04 -0.01 -0.04 2.02 1.88 2on6A1 GLN 210 HG2 -0.07 0.05 -0.10 -0.04 2.40 2.23 2on6A1 GLN 210 HG3 -0.05 -0.03 -0.06 -0.04 2.39 2.20 2on6A1 GLN 210 HE21 -0.07 -0.11 -0.04 -0.04 6.97 6.72 2on6A1 GLN 210 HE22 -0.07 0.20 0.04 -0.04 7.69 7.82 2on6A1 LYS 211 H -0.02 0.60 -0.02 -0.55 8.42 8.43 2on6A1 LYS 211 HA -0.01 0.01 0.38 -0.75 4.32 3.94 2on6A1 LYS 211 HB2 -0.00 0.12 0.17 -0.04 1.87 2.12 2on6A1 LYS 211 HB3 0.00 -0.04 -0.04 -0.04 1.79 1.66 2on6A1 LYS 211 HG2 -0.01 -0.04 0.05 -0.04 1.46 1.43 2on6A1 LYS 211 HG3 -0.01 0.04 0.06 -0.04 1.46 1.51 2on6A1 LYS 211 HD2 0.00 -0.01 -0.06 -0.04 1.69 1.58 2on6A1 LYS 211 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.61 2on6A1 LYS 211 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2on6A1 LYS 211 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2on6A1 LEU 212 H -0.00 0.34 -0.41 -0.55 8.37 7.75 2on6A1 LEU 212 HA 0.02 0.06 0.56 -0.75 4.35 4.24 2on6A1 LEU 212 HB2 0.01 0.02 0.02 -0.04 1.64 1.65 2on6A1 LEU 212 HB3 0.04 -0.07 0.05 -0.04 1.64 1.62 2on6A1 LEU 212 HG 0.02 0.33 -0.01 -0.04 1.64 1.94 2on6A1 LEU 212 HD13 0.05 -0.04 -0.07 -0.04 0.93 0.82 2on6A1 LEU 212 HD23 0.05 -0.01 -0.05 -0.04 0.89 0.83 2on6A1 GLY 213 H -0.01 0.41 -0.40 -0.55 8.43 7.88 2on6A1 GLY 213 HA2 -0.01 0.06 0.24 -0.51 4.01 3.78 2on6A1 GLY 213 HA3 0.00 0.10 0.55 -0.51 4.01 4.16 2on6A1 ALA 214 H -0.02 0.39 0.05 -0.55 8.40 8.27 2on6A1 ALA 214 HA -0.00 0.09 0.70 -0.75 4.34 4.37 2on6A1 ALA 214 HB3 -0.04 -0.01 -0.04 -0.04 1.41 1.28 2on6A1 ASP 215 H 0.02 0.62 0.38 -0.55 8.40 8.88 2on6A1 ASP 215 HA -0.11 0.12 0.97 -0.75 4.63 4.86 2on6A1 ASP 215 HB2 0.17 0.04 0.10 -0.04 2.71 2.97 2on6A1 ASP 215 HB3 0.07 -0.03 0.10 -0.04 2.70 2.80 2on6A1 ALA 216 H 0.05 0.40 0.35 -0.55 8.40 8.65 2on6A1 ALA 216 HA 0.07 0.25 0.85 -0.75 4.34 4.75 2on6A1 ALA 216 HB3 0.19 -0.01 -0.17 -0.04 1.41 1.39 2on6A1 VAL 217 H -0.01 0.52 0.25 -0.55 8.24 8.46 2on6A1 VAL 217 HA -0.36 0.38 1.13 -0.75 4.13 4.53 2on6A1 VAL 217 HB -0.09 0.02 -0.11 -0.04 2.12 1.90 2on6A1 VAL 217 HG13 -0.01 -0.02 0.03 -0.04 0.97 0.93 2on6A1 VAL 217 HG23 -0.07 0.00 -0.13 -0.04 0.95 0.71 2on6A1 GLY 218 H -0.67 0.47 0.30 -0.55 8.43 7.98 2on6A1 GLY 218 HA2 0.10 0.12 0.67 -0.51 4.01 4.39 2on6A1 GLY 218 HA3 0.30 0.06 0.45 -0.51 4.01 4.31 2on6A1 MET 219 H 0.16 0.13 0.15 -0.55 8.47 8.36 2on6A1 MET 219 HA 0.09 0.49 0.92 -0.75 4.52 5.26 2on6A1 MET 219 HB2 0.14 -0.06 0.07 -0.04 2.15 2.26 2on6A1 MET 219 HB3 0.19 0.15 0.09 -0.04 2.03 2.42 2on6A1 MET 219 HG2 0.00 0.07 -0.36 -0.04 2.63 2.31 2on6A1 MET 219 HG3 0.03 -0.12 -0.12 -0.04 2.56 2.30 2on6A1 MET 219 HE3 -0.64 -0.01 0.00 -0.04 2.10 1.41 2on6A1 SER 220 H 0.28 0.14 -0.06 -0.55 8.46 8.27 2on6A1 SER 220 HA 0.15 0.18 0.77 -0.75 4.49 4.84 2on6A1 SER 220 HB2 0.10 -0.00 0.12 -0.04 3.95 4.13 2on6A1 SER 220 HB3 0.34 0.06 -0.08 -0.04 3.93 4.21 2on6A1 THR 221 H 0.02 0.21 0.03 -0.55 8.28 8.00 2on6A1 THR 221 HA -0.05 0.10 0.27 -0.75 4.39 3.96 2on6A1 THR 221 HB -0.23 0.26 -0.23 -0.04 4.32 4.08 2on6A1 THR 221 HG23 -0.20 0.02 -0.29 -0.04 1.22 0.71 2on6A1 VAL 222 H 0.06 0.58 0.13 -0.55 8.24 8.46 2on6A1 VAL 222 HA -0.05 0.08 0.25 -0.75 4.13 3.65 2on6A1 VAL 222 HB -0.06 0.02 0.01 -0.04 2.12 2.05 2on6A1 VAL 222 HG13 -0.58 -0.00 -0.17 -0.04 0.97 0.18 2on6A1 VAL 222 HG23 0.08 0.03 -0.03 -0.04 0.95 0.99 2on6A1 PRO 223 HA -0.04 0.11 0.51 -0.51 4.44 4.51 2on6A1 PRO 223 HB2 -0.03 0.05 -0.10 -0.04 2.28 2.16 2on6A1 PRO 223 HB3 -0.03 0.08 0.02 -0.04 2.02 2.05 2on6A1 PRO 223 HG2 -0.01 0.04 -0.05 -0.04 2.03 1.97 2on6A1 PRO 223 HG3 -0.02 0.10 -0.04 -0.04 2.03 2.03 2on6A1 PRO 223 HD2 0.00 -0.09 -0.34 -0.04 3.68 3.22 2on6A1 PRO 223 HD3 -0.01 0.11 -0.10 -0.04 3.65 3.61 2on6A1 GLU 224 H -0.03 0.07 -0.37 -0.55 8.60 7.72 2on6A1 GLU 224 HA -0.05 0.07 0.32 -0.75 4.29 3.88 2on6A1 GLU 224 HB2 -0.03 0.09 0.05 -0.04 2.09 2.15 2on6A1 GLU 224 HB3 -0.03 0.04 -0.02 -0.04 1.99 1.95 2on6A1 GLU 224 HG2 -0.05 0.06 -0.00 -0.04 2.34 2.31 2on6A1 GLU 224 HG3 -0.06 0.05 -0.08 -0.04 2.34 2.20 2on6A1 VAL 225 H -0.03 0.54 -0.19 -0.55 8.24 8.01 2on6A1 VAL 225 HA -0.06 0.05 0.40 -0.75 4.13 3.77 2on6A1 VAL 225 HB 0.05 0.04 0.07 -0.04 2.12 2.24 2on6A1 VAL 225 HG13 -0.17 0.00 -0.23 -0.04 0.97 0.54 2on6A1 VAL 225 HG23 0.02 0.02 -0.16 -0.04 0.95 0.79 2on6A1 ILE 226 H -0.01 0.53 -0.14 -0.55 8.25 8.08 2on6A1 ILE 226 HA 0.04 0.02 0.20 -0.75 4.18 3.68 2on6A1 ILE 226 HB -0.02 0.01 0.13 -0.04 1.89 1.97 2on6A1 ILE 226 HG12 0.10 -0.00 -0.05 -0.04 1.49 1.51 2on6A1 ILE 226 HG13 0.02 0.10 0.01 -0.04 1.21 1.30 2on6A1 ILE 226 HG23 0.00 -0.00 -0.18 -0.04 0.93 0.71 2on6A1 ILE 226 HD13 -0.01 -0.04 -0.06 -0.04 0.88 0.73 2on6A1 VAL 227 H -0.04 0.47 -0.22 -0.55 8.24 7.91 2on6A1 VAL 227 HA -0.05 0.03 0.31 -0.75 4.13 3.67 2on6A1 VAL 227 HB -0.09 -0.01 0.04 -0.04 2.12 2.03 2on6A1 VAL 227 HG13 -0.20 0.03 -0.19 -0.04 0.97 0.57 2on6A1 VAL 227 HG23 -0.08 0.01 -0.09 -0.04 0.95 0.75 2on6A1 ALA 228 H -0.04 0.65 -0.13 -0.55 8.40 8.33 2on6A1 ALA 228 HA -0.03 0.03 0.41 -0.75 4.34 3.99 2on6A1 ALA 228 HB3 -0.02 -0.00 0.01 -0.04 1.41 1.35 2on6A1 ARG 229 H -0.03 0.60 -0.08 -0.55 8.46 8.40 2on6A1 ARG 229 HA -0.02 0.10 0.35 -0.75 4.34 4.02 2on6A1 ARG 229 HB2 0.01 0.05 0.10 -0.04 1.90 2.02 2on6A1 ARG 229 HB3 -0.00 -0.02 0.02 -0.04 1.80 1.76 2on6A1 ARG 229 HG2 -0.09 0.09 0.06 -0.04 1.67 1.69 2on6A1 ARG 229 HG3 -0.08 -0.17 0.03 -0.04 1.67 1.41 2on6A1 ARG 229 HD2 -0.04 0.12 -0.03 -0.04 3.22 3.23 2on6A1 ARG 229 HD3 -0.10 0.13 0.13 -0.04 3.22 3.34 2on6A1 HIS 230 H 0.08 0.55 -0.18 -0.55 8.41 8.31 2on6A1 HIS 230 HA -0.02 -0.12 0.32 -0.75 4.63 4.05 2on6A1 HIS 230 HB2 -0.04 -0.03 0.04 -0.04 3.26 3.19 2on6A1 HIS 230 HB3 -0.09 0.16 0.02 -0.04 3.20 3.24 2on6A1 HIS 230 HD2 -0.01 -0.05 -0.04 -0.04 6.97 6.82 2on6A1 HIS 230 HE1 0.07 -0.07 -0.11 -0.04 7.75 7.59 2on6A1 CYS 231 H -0.05 0.42 -0.58 -0.55 8.50 7.74 2on6A1 CYS 231 HA -0.25 0.29 0.58 -0.75 4.58 4.44 2on6A1 CYS 231 HB2 -0.11 0.27 0.24 -0.04 2.97 3.32 2on6A1 CYS 231 HB3 -0.25 -0.09 -0.21 -0.04 2.97 2.38 2on6A1 GLY 232 H -0.06 0.33 0.11 -0.55 8.43 8.27 2on6A1 GLY 232 HA2 -0.03 -0.05 0.27 -0.51 4.01 3.70 2on6A1 GLY 232 HA3 -0.02 0.13 0.66 -0.51 4.01 4.28 2on6A1 LEU 233 H -0.02 0.23 -0.03 -0.55 8.37 8.00 2on6A1 LEU 233 HA 0.04 0.22 0.39 -0.75 4.35 4.24 2on6A1 LEU 233 HB2 0.01 -0.15 -0.20 -0.04 1.64 1.26 2on6A1 LEU 233 HB3 0.04 -0.02 -0.23 -0.04 1.64 1.38 2on6A1 LEU 233 HG 0.02 0.02 -0.04 -0.04 1.64 1.60 2on6A1 LEU 233 HD13 0.09 -0.03 -0.21 -0.04 0.93 0.74 2on6A1 LEU 233 HD23 0.15 0.01 -0.21 -0.04 0.89 0.80 2on6A1 ARG 234 H 0.03 0.62 0.43 -0.55 8.46 8.98 2on6A1 ARG 234 HA 0.01 0.09 0.84 -0.75 4.34 4.54 2on6A1 ARG 234 HB2 0.02 0.03 0.18 -0.04 1.90 2.10 2on6A1 ARG 234 HB3 0.03 0.14 0.31 -0.04 1.80 2.23 2on6A1 ARG 234 HG2 0.06 -0.05 -0.27 -0.04 1.67 1.37 2on6A1 ARG 234 HG3 0.05 -0.10 0.08 -0.04 1.67 1.66 2on6A1 ARG 234 HD2 0.02 0.04 -0.03 -0.04 3.22 3.21 2on6A1 ARG 234 HD3 0.03 -0.12 -0.01 -0.04 3.22 3.08 2on6A1 VAL 235 H 0.02 0.20 0.32 -0.55 8.24 8.22 2on6A1 VAL 235 HA 0.04 0.26 1.20 -0.75 4.13 4.87 2on6A1 VAL 235 HB -0.17 0.25 0.15 -0.04 2.12 2.31 2on6A1 VAL 235 HG13 -0.17 -0.05 -0.24 -0.04 0.97 0.47 2on6A1 VAL 235 HG23 -0.07 0.03 -0.26 -0.04 0.95 0.61 2on6A1 PHE 236 H 0.14 0.76 0.45 -0.55 8.34 9.14 2on6A1 PHE 236 HA 0.14 0.11 0.87 -0.75 4.62 4.99 2on6A1 PHE 236 HB2 0.06 0.00 -0.13 -0.04 3.15 3.05 2on6A1 PHE 236 HB3 0.04 0.05 -0.00 -0.04 3.06 3.11 2on6A1 PHE 236 HD2 0.09 -0.02 -0.15 -0.04 7.28 7.15 2on6A1 PHE 236 HE2 0.22 -0.03 -0.15 -0.04 7.38 7.37 2on6A1 PHE 236 HZ 0.20 -0.02 -0.15 -0.04 7.32 7.30 2on6A1 GLY 237 H -0.55 0.28 0.23 -0.55 8.43 7.85 2on6A1 GLY 237 HA2 -0.49 0.22 0.91 -0.51 4.01 4.15 2on6A1 GLY 237 HA3 -0.21 -0.04 0.32 -0.51 4.01 3.56 2on6A1 PHE 238 H -0.58 0.54 0.41 -0.55 8.34 8.16 2on6A1 PHE 238 HA -0.21 0.06 0.41 -0.75 4.62 4.13 2on6A1 PHE 238 HB2 -0.11 0.04 -0.05 -0.04 3.15 2.99 2on6A1 PHE 238 HB3 -0.22 0.12 0.01 -0.04 3.06 2.94 2on6A1 PHE 238 HD2 -0.10 -0.00 -0.45 -0.04 7.28 6.69 2on6A1 PHE 238 HE2 0.18 0.03 -0.18 -0.04 7.38 7.37 2on6A1 PHE 238 HZ 0.21 0.02 -0.15 -0.04 7.32 7.35 2on6A1 SER 239 H 0.15 0.60 0.22 -0.55 8.46 8.88 2on6A1 SER 239 HA 0.03 0.18 0.93 -0.75 4.49 4.88 2on6A1 SER 239 HB2 0.05 0.00 -0.12 -0.04 3.95 3.85 2on6A1 SER 239 HB3 0.09 0.01 -0.46 -0.04 3.93 3.53 2on6A1 LEU 240 H 0.09 0.63 0.31 -0.55 8.37 8.85 2on6A1 LEU 240 HA 0.03 0.27 0.91 -0.75 4.35 4.81 2on6A1 LEU 240 HB2 0.13 0.05 0.05 -0.04 1.64 1.84 2on6A1 LEU 240 HB3 0.08 -0.02 0.22 -0.04 1.64 1.88 2on6A1 LEU 240 HG 0.04 -0.15 -0.27 -0.04 1.64 1.22 2on6A1 LEU 240 HD13 0.02 0.04 -0.09 -0.04 0.93 0.87 2on6A1 LEU 240 HD23 0.06 0.01 -0.11 -0.04 0.89 0.82 2on6A1 ILE 241 H -0.04 0.60 0.10 -0.55 8.25 8.36 2on6A1 ILE 241 HA 0.04 0.15 0.57 -0.75 4.18 4.18 2on6A1 ILE 241 HB -0.03 0.07 0.10 -0.04 1.89 2.00 2on6A1 ILE 241 HG12 -0.18 0.14 -0.20 -0.04 1.49 1.21 2on6A1 ILE 241 HG13 -0.12 -0.04 -0.16 -0.04 1.21 0.84 2on6A1 ILE 241 HG23 0.08 -0.05 -0.36 -0.04 0.93 0.56 2on6A1 ILE 241 HD13 0.05 -0.03 -0.35 -0.04 0.88 0.51 2on6A1 THR 242 H 0.04 0.55 0.38 -0.55 8.28 8.69 2on6A1 THR 242 HA 0.01 0.18 0.55 -0.75 4.39 4.38 2on6A1 THR 242 HB 0.01 -0.01 0.09 -0.04 4.32 4.37 2on6A1 THR 242 HG23 0.04 0.06 -0.04 -0.04 1.22 1.24 2on6A1 ASN 243 H 0.01 0.31 0.02 -0.55 8.53 8.32 2on6A1 ASN 243 HA -0.03 0.12 0.61 -0.75 4.76 4.70 2on6A1 ASN 243 HB2 -0.10 0.04 -0.03 -0.04 2.88 2.75 2on6A1 ASN 243 HB3 -0.07 0.14 -0.18 -0.04 2.79 2.64 2on6A1 ASN 243 HD21 -0.20 -0.02 -0.11 -0.04 7.03 6.66 2on6A1 ASN 243 HD22 -0.18 0.08 -0.27 -0.04 7.74 7.33 2on6A1 LYS 244 H -0.03 0.21 0.09 -0.55 8.42 8.14 2on6A1 LYS 244 HA 0.00 0.14 0.78 -0.75 4.32 4.49 2on6A1 LYS 244 HB2 -0.02 -0.09 0.14 -0.04 1.87 1.85 2on6A1 LYS 244 HB3 -0.02 0.16 -0.01 -0.04 1.79 1.87 2on6A1 LYS 244 HG2 0.03 0.05 -0.14 -0.04 1.46 1.36 2on6A1 LYS 244 HG3 0.01 -0.16 -0.03 -0.04 1.46 1.23 2on6A1 LYS 244 HD2 0.01 -0.02 0.06 -0.04 1.69 1.70 2on6A1 LYS 244 HD3 -0.01 -0.09 0.01 -0.04 1.68 1.55 2on6A1 LYS 244 HE2 0.03 0.36 -0.00 -0.04 2.99 3.33 2on6A1 LYS 244 HE3 -0.00 0.06 0.04 -0.04 2.99 3.04 2on6A1 VAL 245 H -0.03 0.63 0.19 -0.55 8.24 8.47 2on6A1 VAL 245 HA -0.09 -0.07 0.29 -0.75 4.13 3.50 2on6A1 VAL 245 HB -0.08 -0.10 0.01 -0.04 2.12 1.91 2on6A1 VAL 245 HG13 -0.03 0.03 -0.21 -0.04 0.97 0.72 2on6A1 VAL 245 HG23 -0.05 0.01 -0.17 -0.04 0.95 0.70 2on6A1 ILE 246 H -0.08 0.02 0.12 -0.55 8.25 7.76 2on6A1 ILE 246 HA -0.07 0.06 0.38 -0.75 4.18 3.80 2on6A1 ILE 246 HB -0.07 -0.03 0.10 -0.04 1.89 1.86 2on6A1 ILE 246 HG12 -0.09 -0.12 0.03 -0.04 1.49 1.28 2on6A1 ILE 246 HG13 -0.06 0.16 -0.12 -0.04 1.21 1.15 2on6A1 ILE 246 HG23 -0.07 0.01 -0.09 -0.04 0.93 0.74 2on6A1 ILE 246 HD13 -0.05 0.02 -0.15 -0.04 0.88 0.65 2on6A1 MET 247 H -0.09 0.08 0.19 -0.55 8.47 8.11 2on6A1 MET 247 HA -0.14 0.18 0.99 -0.75 4.52 4.81 2on6A1 MET 247 HB2 -0.09 -0.01 0.12 -0.04 2.15 2.12 2on6A1 MET 247 HB3 -0.08 0.08 -0.15 -0.04 2.03 1.84 2on6A1 MET 247 HG2 -0.07 0.07 0.07 -0.04 2.63 2.66 2on6A1 MET 247 HG3 -0.07 -0.06 -0.04 -0.04 2.56 2.34 2on6A1 MET 247 HE3 -0.06 0.02 -0.05 -0.04 2.10 1.97 2on6A1 ASP 248 H -0.14 0.15 0.15 -0.55 8.40 8.02 2on6A1 ASP 248 HA -0.27 0.24 0.81 -0.75 4.63 4.66 2on6A1 ASP 248 HB2 -0.05 -0.10 0.12 -0.04 2.71 2.64 2on6A1 ASP 248 HB3 -0.07 0.16 0.03 -0.04 2.70 2.77 2on6A1 TYR 249 H -0.06 0.19 0.14 -0.55 8.29 8.01 2on6A1 TYR 249 HA -0.01 0.16 0.42 -0.75 4.56 4.38 2on6A1 TYR 249 HB2 -0.00 0.01 0.08 -0.04 3.06 3.10 2on6A1 TYR 249 HB3 -0.00 0.07 0.12 -0.04 2.98 3.12 2on6A1 TYR 249 HD2 -0.00 0.05 0.03 -0.04 7.15 7.18 2on6A1 TYR 249 HE2 -0.00 -0.02 -0.01 -0.04 6.85 6.78 2on6A1 GLU 250 H 0.03 -0.06 -0.27 -0.55 8.60 7.76 2on6A1 GLU 250 HA 0.04 0.12 0.49 -0.75 4.29 4.18 2on6A1 GLU 250 HB2 0.01 -0.08 0.07 -0.04 2.09 2.05 2on6A1 GLU 250 HB3 0.01 0.02 -0.07 -0.04 1.99 1.91 2on6A1 GLU 250 HG2 0.02 0.00 0.01 -0.04 2.34 2.33 2on6A1 GLU 250 HG3 0.01 0.03 0.01 -0.04 2.34 2.35 2on6A1 SER 251 H -0.01 0.04 -0.15 -0.55 8.46 7.78 2on6A1 SER 251 HA -0.00 -0.02 0.23 -0.75 4.49 3.94 2on6A1 SER 251 HB2 -0.03 -0.01 0.11 -0.04 3.95 3.98 2on6A1 SER 251 HB3 -0.03 0.07 0.12 -0.04 3.93 4.05 2on6A1 LEU 252 H -0.00 0.07 0.19 -0.55 8.37 8.08 2on6A1 LEU 252 HA 0.01 0.29 0.98 -0.75 4.35 4.88 2on6A1 LEU 252 HB2 0.00 -0.06 0.15 -0.04 1.64 1.70 2on6A1 LEU 252 HB3 0.01 -0.03 0.15 -0.04 1.64 1.73 2on6A1 LEU 252 HG 0.01 0.00 0.05 -0.04 1.64 1.66 2on6A1 LEU 252 HD13 0.01 -0.01 0.05 -0.04 0.93 0.93 2on6A1 LEU 252 HD23 0.02 0.04 0.03 -0.04 0.89 0.93 2on6A1 GLU 253 H -0.01 -0.08 -0.10 -0.55 8.60 7.87 2on6A1 GLU 253 HA -0.01 0.16 0.67 -0.75 4.29 4.36 2on6A1 GLU 253 HB2 -0.03 -0.03 0.04 -0.04 2.09 2.03 2on6A1 GLU 253 HB3 -0.03 -0.01 0.04 -0.04 1.99 1.95 2on6A1 GLU 253 HG2 -0.01 0.05 -0.01 -0.04 2.34 2.33 2on6A1 GLU 253 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.27 2on6A1 LYS 254 H -0.03 0.24 0.15 -0.55 8.42 8.23 2on6A1 LYS 254 HA -0.04 0.09 0.76 -0.75 4.32 4.38 2on6A1 LYS 254 HB2 0.00 -0.04 0.01 -0.04 1.87 1.80 2on6A1 LYS 254 HB3 0.01 0.07 -0.03 -0.04 1.79 1.80 2on6A1 LYS 254 HG2 0.01 -0.01 -0.04 -0.04 1.46 1.37 2on6A1 LYS 254 HG3 0.00 0.15 -0.61 -0.04 1.46 0.97 2on6A1 LYS 254 HD2 0.02 0.02 -0.05 -0.04 1.69 1.64 2on6A1 LYS 254 HD3 0.01 0.02 -0.05 -0.04 1.68 1.62 2on6A1 LYS 254 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.92 2on6A1 LYS 254 HE3 0.04 0.01 -0.02 -0.04 2.99 2.97 2on6A1 ALA 255 H -0.13 0.13 0.13 -0.55 8.40 7.97 2on6A1 ALA 255 HA -0.26 0.04 0.57 -0.75 4.34 3.94 2on6A1 ALA 255 HB3 -0.74 0.00 0.07 -0.04 1.41 0.70 2on6A1 ASN 256 H -0.17 0.27 0.27 -0.55 8.53 8.34 2on6A1 ASN 256 HA 0.31 0.19 0.66 -0.75 4.76 5.16 2on6A1 ASN 256 HB2 0.12 -0.13 0.15 -0.04 2.88 2.99 2on6A1 ASN 256 HB3 0.07 0.22 -0.09 -0.04 2.79 2.95 2on6A1 ASN 256 HD21 -0.00 0.00 0.04 -0.04 7.03 7.03 2on6A1 ASN 256 HD22 0.01 0.13 -0.06 -0.04 7.74 7.78 2on6A1 PHE 257 H 0.34 0.24 0.18 -0.55 8.34 8.54 2on6A1 PHE 257 HA 0.14 0.11 0.52 -0.75 4.62 4.64 2on6A1 PHE 257 HB2 0.09 0.07 0.12 -0.04 3.15 3.39 2on6A1 PHE 257 HB3 0.06 0.05 0.07 -0.04 3.06 3.20 2on6A1 PHE 257 HD2 0.08 0.01 0.01 -0.04 7.28 7.35 2on6A1 PHE 257 HE2 0.05 0.02 0.01 -0.04 7.38 7.42 2on6A1 PHE 257 HZ 0.04 0.01 0.02 -0.04 7.32 7.35 2on6A1 GLU 258 H 0.11 0.12 -0.02 -0.55 8.60 8.27 2on6A1 GLU 258 HA -0.07 0.09 0.51 -0.75 4.29 4.08 2on6A1 GLU 258 HB2 0.01 0.01 0.06 -0.04 2.09 2.13 2on6A1 GLU 258 HB3 -0.00 0.07 0.07 -0.04 1.99 2.08 2on6A1 GLU 258 HG2 0.05 -0.00 0.08 -0.04 2.34 2.43 2on6A1 GLU 258 HG3 0.03 0.09 0.05 -0.04 2.34 2.47 2on6A1 GLU 259 H 0.00 0.09 -0.17 -0.55 8.60 7.98 2on6A1 GLU 259 HA -0.03 0.06 0.41 -0.75 4.29 3.98 2on6A1 GLU 259 HB2 -0.02 -0.04 0.14 -0.04 2.09 2.13 2on6A1 GLU 259 HB3 -0.04 0.10 0.00 -0.04 1.99 2.02 2on6A1 GLU 259 HG2 -0.02 -0.01 0.10 -0.04 2.34 2.37 2on6A1 GLU 259 HG3 -0.03 0.01 0.09 -0.04 2.34 2.37 2on6A1 VAL 260 H -0.03 0.15 -0.31 -0.55 8.24 7.50 2on6A1 VAL 260 HA -0.02 0.06 0.40 -0.75 4.13 3.82 2on6A1 VAL 260 HB -0.09 0.08 0.17 -0.04 2.12 2.24 2on6A1 VAL 260 HG13 0.08 -0.02 -0.07 -0.04 0.97 0.93 2on6A1 VAL 260 HG23 0.17 0.03 -0.00 -0.04 0.95 1.11 2on6A1 LEU 261 H -0.37 0.57 0.08 -0.55 8.37 8.10 2on6A1 LEU 261 HA -0.18 -0.05 0.61 -0.75 4.35 3.97 2on6A1 LEU 261 HB2 -0.22 0.05 0.22 -0.04 1.64 1.65 2on6A1 LEU 261 HB3 -0.16 -0.02 0.06 -0.04 1.64 1.48 2on6A1 LEU 261 HG -1.11 0.10 0.11 -0.04 1.64 0.70 2on6A1 LEU 261 HD13 -0.16 -0.00 0.01 -0.04 0.93 0.74 2on6A1 LEU 261 HD23 -0.28 -0.02 0.04 -0.04 0.89 0.59 2on6A1 ALA 262 H -0.09 0.62 0.11 -0.55 8.40 8.49 2on6A1 ALA 262 HA -0.03 -0.02 0.48 -0.75 4.34 4.02 2on6A1 ALA 262 HB3 -0.03 0.01 0.09 -0.04 1.41 1.44 2on6A1 ALA 263 H -0.03 0.65 -0.08 -0.55 8.40 8.39 2on6A1 ALA 263 HA -0.01 0.00 0.36 -0.75 4.34 3.94 2on6A1 ALA 263 HB3 -0.00 0.02 0.13 -0.04 1.41 1.51 2on6A1 GLY 264 H -0.03 0.38 -0.29 -0.55 8.43 7.95 2on6A1 GLY 264 HA2 0.02 0.06 0.19 -0.51 4.01 3.77 2on6A1 GLY 264 HA3 -0.01 -0.11 0.31 -0.51 4.01 3.69 2on6A1 LYS 265 H -0.01 0.52 0.05 -0.55 8.42 8.42 2on6A1 LYS 265 HA 0.01 -0.03 0.52 -0.75 4.32 4.07 2on6A1 LYS 265 HB2 0.00 -0.00 0.08 -0.04 1.87 1.91 2on6A1 LYS 265 HB3 -0.00 -0.08 0.13 -0.04 1.79 1.79 2on6A1 LYS 265 HG2 -0.02 0.09 0.08 -0.04 1.46 1.56 2on6A1 LYS 265 HG3 -0.01 0.21 0.18 -0.04 1.46 1.80 2on6A1 LYS 265 HD2 -0.00 0.00 -0.02 -0.04 1.69 1.63 2on6A1 LYS 265 HD3 -0.01 -0.05 0.00 -0.04 1.68 1.58 2on6A1 LYS 265 HE2 -0.02 -0.08 -0.03 -0.04 2.99 2.82 2on6A1 LYS 265 HE3 -0.02 0.07 0.10 -0.04 2.99 3.10 2on6A1 GLN 266 H 0.00 0.45 -0.13 -0.55 8.47 8.25 2on6A1 GLN 266 HA 0.01 0.01 0.55 -0.75 4.36 4.18 2on6A1 GLN 266 HB2 0.00 0.08 0.12 -0.04 2.15 2.31 2on6A1 GLN 266 HB3 0.01 0.18 0.02 -0.04 2.02 2.19 2on6A1 GLN 266 HG2 0.01 -0.01 -0.03 -0.04 2.40 2.33 2on6A1 GLN 266 HG3 0.01 -0.02 0.10 -0.04 2.39 2.44 2on6A1 GLN 266 HE21 0.00 -0.03 0.01 -0.04 6.97 6.90 2on6A1 GLN 266 HE22 0.00 0.00 0.06 -0.04 7.69 7.71 2on6A1 ALA 267 H 0.03 0.46 -0.24 -0.55 8.40 8.10 2on6A1 ALA 267 HA 0.04 0.10 0.89 -0.75 4.34 4.62 2on6A1 ALA 267 HB3 0.06 0.02 0.08 -0.04 1.41 1.53 2on6A1 ALA 268 H 0.04 0.22 -0.07 -0.55 8.40 8.04 2on6A1 ALA 268 HA 0.06 0.25 0.53 -0.75 4.34 4.43 2on6A1 ALA 268 HB3 0.03 -0.02 0.16 -0.04 1.41 1.55 2on6A1 GLN 269 H 0.04 0.19 -0.26 -0.55 8.47 7.89 2on6A1 GLN 269 HA 0.04 0.04 0.49 -0.75 4.36 4.18 2on6A1 GLN 269 HB2 0.02 0.04 0.10 -0.04 2.15 2.28 2on6A1 GLN 269 HB3 0.02 0.06 0.02 -0.04 2.02 2.08 2on6A1 GLN 269 HG2 0.01 0.02 0.03 -0.04 2.40 2.42 2on6A1 GLN 269 HG3 0.01 0.03 0.01 -0.04 2.39 2.40 2on6A1 GLN 269 HE21 0.02 -0.02 -0.03 -0.04 6.97 6.90 2on6A1 GLN 269 HE22 0.01 0.03 0.01 -0.04 7.69 7.70 2on6A1 LYS 270 H 0.05 0.11 -0.05 -0.55 8.42 7.97 2on6A1 LYS 270 HA 0.05 0.03 0.32 -0.75 4.32 3.97 2on6A1 LYS 270 HB2 0.06 -0.03 0.21 -0.04 1.87 2.07 2on6A1 LYS 270 HB3 0.10 0.08 0.11 -0.04 1.79 2.03 2on6A1 LYS 270 HG2 0.16 0.01 -0.01 -0.04 1.46 1.58 2on6A1 LYS 270 HG3 -0.00 0.00 0.08 -0.04 1.46 1.50 2on6A1 LYS 270 HD2 0.07 -0.03 0.04 -0.04 1.69 1.73 2on6A1 LYS 270 HD3 0.05 0.00 0.08 -0.04 1.68 1.78 2on6A1 LYS 270 HE2 0.11 -0.02 0.00 -0.04 2.99 3.04 2on6A1 LYS 270 HE3 0.22 -0.03 -0.00 -0.04 2.99 3.13 2on6A1 LEU 271 H 0.12 0.65 -0.33 -0.55 8.37 8.26 2on6A1 LEU 271 HA 0.30 0.03 0.32 -0.75 4.35 4.23 2on6A1 LEU 271 HB2 0.15 0.16 0.08 -0.04 1.64 1.99 2on6A1 LEU 271 HB3 0.24 -0.06 -0.09 -0.04 1.64 1.69 2on6A1 LEU 271 HG 0.14 -0.01 -0.04 -0.04 1.64 1.69 2on6A1 LEU 271 HD13 0.18 -0.00 -0.11 -0.04 0.93 0.95 2on6A1 LEU 271 HD23 0.33 -0.02 -0.10 -0.04 0.89 1.06 2on6A1 GLU 272 H 0.12 0.53 0.11 -0.55 8.60 8.81 2on6A1 GLU 272 HA 0.11 -0.02 0.49 -0.75 4.29 4.11 2on6A1 GLU 272 HB2 0.07 0.10 0.16 -0.04 2.09 2.38 2on6A1 GLU 272 HB3 0.06 -0.05 0.01 -0.04 1.99 1.97 2on6A1 GLU 272 HG2 0.07 -0.16 0.00 -0.04 2.34 2.21 2on6A1 GLU 272 HG3 0.07 0.46 0.23 -0.04 2.34 3.06 2on6A1 GLN 273 H 0.10 0.52 -0.21 -0.55 8.47 8.33 2on6A1 GLN 273 HA 0.06 0.01 0.42 -0.75 4.36 4.10 2on6A1 GLN 273 HB2 0.04 -0.03 0.05 -0.04 2.15 2.17 2on6A1 GLN 273 HB3 0.05 0.01 0.05 -0.04 2.02 2.10 2on6A1 GLN 273 HG2 0.07 0.04 0.01 -0.04 2.40 2.48 2on6A1 GLN 273 HG3 0.11 0.08 -0.20 -0.04 2.39 2.34 2on6A1 GLN 273 HE21 -0.05 0.02 0.01 -0.04 6.97 6.90 2on6A1 GLN 273 HE22 -0.04 -0.03 -0.01 -0.04 7.69 7.57 2on6A1 PHE 274 H 0.27 0.52 -0.02 -0.55 8.34 8.56 2on6A1 PHE 274 HA 0.08 0.04 0.30 -0.75 4.62 4.29 2on6A1 PHE 274 HB2 0.20 0.09 0.12 -0.04 3.15 3.51 2on6A1 PHE 274 HB3 0.11 -0.03 0.14 -0.04 3.06 3.24 2on6A1 PHE 274 HD2 -0.03 0.01 -0.11 -0.04 7.28 7.11 2on6A1 PHE 274 HE2 -0.23 0.01 -0.15 -0.04 7.38 6.97 2on6A1 PHE 274 HZ -0.03 0.00 -0.11 -0.04 7.32 7.14 2on6A1 VAL 275 H 0.17 0.78 -0.16 -0.55 8.24 8.48 2on6A1 VAL 275 HA -0.13 0.04 0.43 -0.75 4.13 3.72 2on6A1 VAL 275 HB 0.14 0.07 0.05 -0.04 2.12 2.34 2on6A1 VAL 275 HG13 0.06 -0.01 -0.24 -0.04 0.97 0.73 2on6A1 VAL 275 HG23 0.37 -0.02 -0.11 -0.04 0.95 1.15 2on6A1 SER 276 H 0.05 0.69 -0.04 -0.55 8.46 8.62 2on6A1 SER 276 HA 0.01 -0.03 0.39 -0.75 4.49 4.11 2on6A1 SER 276 HB2 0.04 -0.04 0.11 -0.04 3.95 4.02 2on6A1 SER 276 HB3 0.04 0.08 0.20 -0.04 3.93 4.21 2on6A1 ILE 277 H 0.01 0.80 -0.11 -0.55 8.25 8.40 2on6A1 ILE 277 HA -0.01 0.01 0.47 -0.75 4.18 3.90 2on6A1 ILE 277 HB 0.02 0.11 0.05 -0.04 1.89 2.03 2on6A1 ILE 277 HG12 0.01 -0.07 0.02 -0.04 1.49 1.42 2on6A1 ILE 277 HG13 0.02 -0.02 0.03 -0.04 1.21 1.20 2on6A1 ILE 277 HG23 0.00 -0.01 -0.01 -0.04 0.93 0.87 2on6A1 ILE 277 HD13 0.04 0.00 -0.05 -0.04 0.88 0.84 2on6A1 LEU 278 H -0.15 0.35 -0.42 -0.55 8.37 7.61 2on6A1 LEU 278 HA -0.17 0.00 0.28 -0.75 4.35 3.72 2on6A1 LEU 278 HB2 -0.38 0.20 0.20 -0.04 1.64 1.63 2on6A1 LEU 278 HB3 -0.23 -0.01 -0.08 -0.04 1.64 1.29 2on6A1 LEU 278 HG -0.59 -0.07 -0.08 -0.04 1.64 0.86 2on6A1 LEU 278 HD13 -0.30 -0.02 -0.01 -0.04 0.93 0.56 2on6A1 LEU 278 HD23 -0.84 -0.03 -0.04 -0.04 0.89 -0.05 2on6A1 MET 279 H -0.06 0.37 -0.44 -0.55 8.47 7.79 2on6A1 MET 279 HA -0.04 -0.05 0.34 -0.75 4.52 4.02 2on6A1 MET 279 HB2 -0.01 0.23 0.06 -0.04 2.15 2.39 2on6A1 MET 279 HB3 0.00 0.08 -0.06 -0.04 2.03 2.02 2on6A1 MET 279 HG2 -0.01 0.13 0.03 -0.04 2.63 2.74 2on6A1 MET 279 HG3 0.01 -0.11 -0.12 -0.04 2.56 2.30 2on6A1 MET 279 HE3 -0.01 -0.02 -0.16 -0.04 2.10 1.87 2on6A1 ALA 280 H -0.03 0.35 -0.27 -0.55 8.40 7.89 2on6A1 ALA 280 HA -0.01 0.10 0.42 -0.75 4.34 4.09 2on6A1 ALA 280 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.43 2on6A1 SER 281 H -0.06 0.29 -0.20 -0.55 8.46 7.94 2on6A1 SER 281 HA -0.04 0.00 0.58 -0.75 4.49 4.28 2on6A1 SER 281 HB2 -0.12 0.11 -0.00 -0.04 3.95 3.89 2on6A1 SER 281 HB3 -0.07 -0.15 0.12 -0.04 3.93 3.79 2on6A1 ILE 282 H -0.05 0.48 -0.45 -0.55 8.25 7.68 2on6A1 ILE 282 HA -0.04 0.03 0.68 -0.75 4.18 4.10 2on6A1 ILE 282 HB -0.02 0.17 0.12 -0.04 1.89 2.12 2on6A1 ILE 282 HG12 -0.05 -0.09 -0.10 -0.04 1.49 1.21 2on6A1 ILE 282 HG13 -0.09 0.03 -0.16 -0.04 1.21 0.95 2on6A1 ILE 282 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.69 2on6A1 ILE 282 HD13 -0.04 -0.04 -0.11 -0.04 0.88 0.65 2on6A1 PRO 283 HA -0.00 -0.01 0.28 -0.51 4.44 4.20 2on6A1 PRO 283 HB2 0.00 0.14 0.03 -0.04 2.28 2.41 2on6A1 PRO 283 HB3 -0.00 -0.07 0.10 -0.04 2.02 2.01 2on6A1 PRO 283 HG2 0.00 0.05 0.10 -0.04 2.03 2.14 2on6A1 PRO 283 HG3 0.00 -0.07 0.10 -0.04 2.03 2.01 2on6A1 PRO 283 HD2 -0.01 -0.01 0.21 -0.04 3.68 3.83 2on6A1 PRO 283 HD3 -0.02 0.23 0.26 -0.04 3.65 4.09 2on6A1 LEU 284 H 0.00 -0.01 0.17 -0.55 8.37 7.99 2on6A1 LEU 284 HA 0.02 0.11 0.48 -0.75 4.35 4.20 2on6A1 LEU 284 HB2 0.01 -0.10 0.16 -0.04 1.64 1.67 2on6A1 LEU 284 HB3 0.02 0.10 0.22 -0.04 1.64 1.93 2on6A1 LEU 284 HG 0.02 0.09 0.09 -0.04 1.64 1.80 2on6A1 LEU 284 HD13 0.01 -0.01 0.09 -0.04 0.93 0.97 2on6A1 LEU 284 HD23 0.02 -0.01 0.11 -0.04 0.89 0.97 2on6A1 PRO 285 HA 0.01 0.21 0.86 -0.51 4.44 5.02 2on6A1 PRO 285 HB2 0.02 -0.01 0.03 -0.04 2.28 2.27 2on6A1 PRO 285 HB3 0.02 0.08 0.11 -0.04 2.02 2.19 2on6A1 PRO 285 HG2 0.03 0.01 0.06 -0.04 2.03 2.08 2on6A1 PRO 285 HG3 0.03 0.07 0.08 -0.04 2.03 2.16 2on6A1 PRO 285 HD2 0.02 0.04 0.25 -0.04 3.68 3.95 2on6A1 PRO 285 HD3 0.03 0.11 0.24 -0.04 3.65 3.98 2on6A1 ASP 286 H 0.01 0.20 0.05 -0.55 8.40 8.12 2on6A1 ASP 286 HA 0.01 0.06 0.13 -0.75 4.63 4.07 2on6A1 ASP 286 HB2 0.01 0.18 0.09 -0.04 2.71 2.96 2on6A1 ASP 286 HB3 0.01 0.01 0.21 -0.04 2.70 2.89