============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 5 0.840 46.639 24.418 13.364 -99.200 -91.000 HIS 9 0.900 34.902 10.431 15.349 -99.200 -91.000 PHE 20 1.000 52.271 10.761 6.008 -99.200 -91.000 PHE 54 1.000 41.252 23.334 8.348 -99.200 -91.000 TYR 55 0.840 41.880 14.302 7.833 -99.200 -91.000 PHE 62 1.000 39.929 22.478 2.869 -99.200 -91.000 TRP 95 1.040 39.705 23.695 -1.700 -99.200 -91.000 TRP6 95 1.020 37.951 22.210 -2.211 -99.200 -91.000 TYR 107 0.840 12.762 1.703 4.492 -99.200 -91.000 HIS 109 0.900 13.161 -4.768 7.037 -99.200 -91.000 TYR 124 0.840 10.579 11.341 3.135 -99.200 -91.000 TRP 129 1.040 5.769 11.159 4.731 -99.200 -91.000 TRP6 129 1.020 6.769 9.044 5.174 -99.200 -91.000 TYR 135 0.840 11.930 17.971 13.148 -99.200 -91.000 PHE 142 1.000 16.862 20.590 10.277 -99.200 -91.000 TRP 161 1.040 11.959 19.914 4.254 -99.200 -91.000 TRP6 161 1.020 13.943 19.921 5.530 -99.200 -91.000 TYR 172 0.840 12.799 11.146 17.685 -99.200 -91.000 TYR 195 0.840 28.301 9.829 10.545 -99.200 -91.000 TYR 196 0.840 25.004 9.758 13.465 -99.200 -91.000 TRP 197 1.040 20.631 1.396 9.056 -99.200 -91.000 TRP6 197 1.020 21.708 -0.017 7.484 -99.200 -91.000 TYR 198 0.840 25.642 2.190 5.194 -99.200 -91.000 TYR 214 0.840 13.770 6.467 -0.819 -99.200 -91.000 PHE 215 1.000 21.641 5.883 0.767 -99.200 -91.000 HIS 218 0.900 15.281 11.788 -7.551 -99.200 -91.000 TYR 227 0.840 31.033 16.099 -1.615 -99.200 -91.000 PHE 245 1.000 48.247 13.484 6.593 -99.200 -91.000 PHE 248 1.000 48.691 7.245 3.714 -99.200 -91.000 TYR 265 0.840 28.416 6.943 0.836 -99.200 -91.000 PHE 275 1.000 32.242 1.149 8.811 -99.200 -91.000 TYR 280 0.840 30.441 11.005 -4.934 -99.200 -91.000 HIS 298 0.900 18.911 32.761 4.623 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o69A1 ASP 1 HA 0.01 -0.03 0.23 -0.75 4.63 4.09 2o69A1 ASP 1 HB2 -0.00 -0.04 -0.01 -0.04 2.71 2.62 2o69A1 ASP 1 HB3 -0.01 0.05 -0.01 -0.04 2.70 2.69 2o69A1 ILE 2 H -0.01 0.59 0.27 -0.55 8.25 8.54 2o69A1 ILE 2 HA -0.02 0.27 1.07 -0.75 4.18 4.75 2o69A1 ILE 2 HB -0.08 -0.07 -0.04 -0.04 1.89 1.65 2o69A1 ILE 2 HG12 -0.03 0.08 -0.14 -0.04 1.49 1.35 2o69A1 ILE 2 HG13 -0.23 -0.10 -0.13 -0.04 1.21 0.71 2o69A1 ILE 2 HG23 0.02 0.02 -0.33 -0.04 0.93 0.59 2o69A1 ILE 2 HD13 -0.51 0.00 -0.17 -0.04 0.88 0.16 2o69A1 THR 3 H -0.03 0.19 0.20 -0.55 8.28 8.09 2o69A1 THR 3 HA -0.00 0.26 0.93 -0.75 4.39 4.83 2o69A1 THR 3 HB 0.01 0.08 0.26 -0.04 4.32 4.63 2o69A1 THR 3 HG23 0.16 -0.02 -0.19 -0.04 1.22 1.12 2o69A1 VAL 4 H 0.00 0.76 0.25 -0.55 8.24 8.70 2o69A1 VAL 4 HA 0.08 0.25 1.03 -0.75 4.13 4.73 2o69A1 VAL 4 HB -0.08 -0.02 -0.00 -0.04 2.12 1.98 2o69A1 VAL 4 HG13 0.11 -0.02 -0.26 -0.04 0.97 0.76 2o69A1 VAL 4 HG23 -0.41 -0.00 -0.24 -0.04 0.95 0.25 2o69A1 TYR 5 H 0.30 0.40 0.27 -0.55 8.29 8.71 2o69A1 TYR 5 HA 0.09 0.30 0.92 -0.75 4.56 5.12 2o69A1 TYR 5 HB2 0.15 -0.01 0.23 -0.04 3.06 3.39 2o69A1 TYR 5 HB3 0.10 -0.05 -0.00 -0.04 2.98 2.98 2o69A1 TYR 5 HD2 -0.06 -0.06 -0.13 -0.04 7.15 6.86 2o69A1 TYR 5 HE2 -0.03 0.03 -0.11 -0.04 6.85 6.69 2o69A1 ASN 6 H 0.16 0.80 0.25 -0.55 8.53 9.19 2o69A1 ASN 6 HA 0.29 0.21 0.93 -0.75 4.76 5.44 2o69A1 ASN 6 HB2 0.17 0.04 -0.15 -0.04 2.88 2.91 2o69A1 ASN 6 HB3 0.11 -0.03 -0.02 -0.04 2.79 2.81 2o69A1 ASN 6 HD21 0.08 0.09 -0.25 -0.04 7.03 6.91 2o69A1 ASN 6 HD22 0.06 -0.06 -0.07 -0.04 7.74 7.63 2o69A1 GLY 7 H 0.13 0.66 0.39 -0.55 8.43 9.06 2o69A1 GLY 7 HA2 0.08 0.48 0.92 -0.51 4.01 4.97 2o69A1 GLY 7 HA3 0.06 -0.19 0.46 -0.51 4.01 3.83 2o69A1 GLN 8 H 0.03 0.19 -0.03 -0.55 8.47 8.12 2o69A1 GLN 8 HA -0.06 -0.01 0.52 -0.75 4.36 4.05 2o69A1 GLN 8 HB2 -0.36 -0.04 -0.23 -0.04 2.15 1.47 2o69A1 GLN 8 HB3 0.05 0.06 -0.09 -0.04 2.02 2.00 2o69A1 GLN 8 HG2 -0.10 0.08 -0.12 -0.04 2.40 2.22 2o69A1 GLN 8 HG3 0.06 0.11 -0.04 -0.04 2.39 2.48 2o69A1 GLN 8 HE21 -0.16 0.02 -0.03 -0.04 6.97 6.76 2o69A1 GLN 8 HE22 -0.20 0.09 -0.09 -0.04 7.69 7.44 2o69A1 HIS 9 H 0.06 0.08 0.12 -0.55 8.41 8.12 2o69A1 HIS 9 HA -0.01 0.09 0.51 -0.75 4.63 4.47 2o69A1 HIS 9 HB2 -0.10 0.05 0.15 -0.04 3.26 3.32 2o69A1 HIS 9 HB3 -0.07 -0.06 0.08 -0.04 3.20 3.11 2o69A1 HIS 9 HD2 -0.03 0.02 0.07 -0.04 6.97 6.98 2o69A1 HIS 9 HE1 -0.01 0.14 0.04 -0.04 7.75 7.88 2o69A1 LYS 10 H -0.49 0.16 0.17 -0.55 8.42 7.70 2o69A1 LYS 10 HA -0.01 0.10 0.34 -0.75 4.32 3.99 2o69A1 GLU 11 H -0.02 0.06 -0.11 -0.55 8.60 7.98 2o69A1 GLU 11 HA 0.08 0.13 0.60 -0.75 4.29 4.35 2o69A1 ALA 12 H 0.23 0.01 -0.30 -0.55 8.40 7.80 2o69A1 ALA 12 HA 0.10 0.16 0.41 -0.75 4.34 4.26 2o69A1 ALA 12 HB3 0.10 0.01 -0.01 -0.04 1.41 1.47 2o69A1 ALA 13 H 0.19 0.45 -0.15 -0.55 8.40 8.34 2o69A1 ALA 13 HA 0.13 0.02 0.29 -0.75 4.34 4.03 2o69A1 ALA 13 HB3 0.16 -0.00 -0.03 -0.04 1.41 1.50 2o69A1 THR 14 H 0.08 0.60 -0.19 -0.55 8.28 8.22 2o69A1 THR 14 HA 0.04 -0.01 0.30 -0.75 4.39 3.97 2o69A1 THR 14 HB 0.05 0.08 0.15 -0.04 4.32 4.56 2o69A1 THR 14 HG23 0.03 -0.01 -0.03 -0.04 1.22 1.17 2o69A1 ALA 15 H 0.09 0.43 -0.31 -0.55 8.40 8.06 2o69A1 ALA 15 HA 0.08 0.01 0.34 -0.75 4.34 4.02 2o69A1 ALA 15 HB3 0.08 0.04 0.12 -0.04 1.41 1.61 2o69A1 VAL 16 H 0.11 0.52 -0.06 -0.55 8.24 8.26 2o69A1 VAL 16 HA 0.22 0.08 0.52 -0.75 4.13 4.19 2o69A1 VAL 16 HB 0.13 -0.03 -0.07 -0.04 2.12 2.11 2o69A1 VAL 16 HG13 0.09 0.04 -0.04 -0.04 0.97 1.01 2o69A1 VAL 16 HG23 -0.05 0.03 -0.04 -0.04 0.95 0.84 2o69A1 ALA 17 H 0.11 0.56 -0.19 -0.55 8.40 8.34 2o69A1 ALA 17 HA 0.19 -0.00 0.41 -0.75 4.34 4.18 2o69A1 ALA 17 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2o69A1 LYS 18 H 0.09 0.57 -0.10 -0.55 8.42 8.42 2o69A1 LYS 18 HA 0.05 -0.00 0.48 -0.75 4.32 4.09 2o69A1 ALA 19 H 0.14 0.58 -0.01 -0.55 8.40 8.56 2o69A1 ALA 19 HA 0.09 0.02 0.54 -0.75 4.34 4.24 2o69A1 ALA 19 HB3 0.31 0.01 0.09 -0.04 1.41 1.77 2o69A1 PHE 20 H 0.20 0.51 -0.43 -0.55 8.34 8.06 2o69A1 PHE 20 HA -1.13 -0.01 0.44 -0.75 4.62 3.16 2o69A1 PHE 20 HB2 0.12 0.07 0.09 -0.04 3.15 3.38 2o69A1 PHE 20 HB3 -0.02 0.15 0.18 -0.04 3.06 3.33 2o69A1 PHE 20 HD2 -0.50 0.03 -0.06 -0.04 7.28 6.71 2o69A1 PHE 20 HE2 0.01 0.04 -0.21 -0.04 7.38 7.17 2o69A1 PHE 20 HZ 0.09 0.01 -0.18 -0.04 7.32 7.20 2o69A1 GLU 21 H 0.04 0.55 0.05 -0.55 8.60 8.69 2o69A1 GLU 21 HA -0.21 0.05 0.27 -0.75 4.29 3.64 2o69A1 GLU 21 HB2 -0.02 0.08 0.18 -0.04 2.09 2.28 2o69A1 GLU 21 HB3 -0.05 -0.05 -0.05 -0.04 1.99 1.80 2o69A1 GLU 21 HG2 -0.02 -0.02 -0.02 -0.04 2.34 2.24 2o69A1 GLU 21 HG3 0.05 0.12 0.18 -0.04 2.34 2.65 2o69A1 GLN 22 H -0.07 0.53 -0.30 -0.55 8.47 8.09 2o69A1 GLN 22 HA -0.06 -0.01 0.23 -0.75 4.36 3.76 2o69A1 GLU 23 H -0.19 0.49 -0.13 -0.55 8.60 8.21 2o69A1 GLU 23 HA -0.07 0.03 0.49 -0.75 4.29 3.99 2o69A1 GLU 23 HB2 -0.02 -0.03 0.12 -0.04 2.09 2.12 2o69A1 GLU 23 HB3 -0.37 0.11 0.16 -0.04 1.99 1.85 2o69A1 GLU 23 HG2 0.14 -0.09 -0.01 -0.04 2.34 2.34 2o69A1 GLU 23 HG3 -0.06 0.01 -0.14 -0.04 2.34 2.11 2o69A1 THR 24 H -0.36 0.32 -0.12 -0.55 8.28 7.57 2o69A1 THR 24 HA -0.19 0.18 0.87 -0.75 4.39 4.49 2o69A1 THR 24 HB -0.38 -0.05 -0.02 -0.04 4.32 3.83 2o69A1 THR 24 HG23 -0.52 -0.00 -0.13 -0.04 1.22 0.53 2o69A1 GLY 25 H -0.24 0.58 0.14 -0.55 8.43 8.37 2o69A1 GLY 25 HA2 -0.12 0.06 0.33 -0.51 4.01 3.77 2o69A1 GLY 25 HA3 -0.11 0.08 0.64 -0.51 4.01 4.11 2o69A1 ILE 26 H -0.35 0.07 -0.22 -0.55 8.25 7.20 2o69A1 ILE 26 HA -0.07 0.13 0.61 -0.75 4.18 4.10 2o69A1 ILE 26 HB -0.30 -0.06 -0.03 -0.04 1.89 1.46 2o69A1 ILE 26 HG12 -0.03 0.04 -0.09 -0.04 1.49 1.37 2o69A1 ILE 26 HG13 -0.15 0.04 -0.29 -0.04 1.21 0.77 2o69A1 ILE 26 HG23 0.13 0.04 -0.20 -0.04 0.93 0.86 2o69A1 ILE 26 HD13 -0.13 -0.01 -0.09 -0.04 0.88 0.61 2o69A1 LYS 27 H -0.02 0.19 0.17 -0.55 8.42 8.21 2o69A1 LYS 27 HA -0.01 0.06 0.51 -0.75 4.32 4.12 2o69A1 VAL 28 H -0.00 0.19 0.17 -0.55 8.24 8.05 2o69A1 VAL 28 HA -0.10 0.22 0.87 -0.75 4.13 4.37 2o69A1 VAL 28 HB -0.05 -0.02 0.15 -0.04 2.12 2.15 2o69A1 VAL 28 HG13 -0.30 -0.03 -0.21 -0.04 0.97 0.39 2o69A1 VAL 28 HG23 -0.09 0.04 -0.11 -0.04 0.95 0.74 2o69A1 THR 29 H -0.05 0.68 0.29 -0.55 8.28 8.65 2o69A1 THR 29 HA -0.02 0.16 0.97 -0.75 4.39 4.75 2o69A1 THR 29 HB 0.00 -0.06 0.10 -0.04 4.32 4.32 2o69A1 THR 29 HG23 0.00 0.03 -0.07 -0.04 1.22 1.14 2o69A1 LEU 30 H -0.01 0.17 0.07 -0.55 8.37 8.05 2o69A1 LEU 30 HA 0.02 0.24 0.76 -0.75 4.35 4.62 2o69A1 LEU 30 HB2 0.01 -0.01 0.11 -0.04 1.64 1.70 2o69A1 LEU 30 HB3 0.03 -0.03 -0.02 -0.04 1.64 1.58 2o69A1 LEU 30 HG -0.01 0.04 -0.06 -0.04 1.64 1.57 2o69A1 LEU 30 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.80 2o69A1 LEU 30 HD23 -0.02 0.01 -0.17 -0.04 0.89 0.67 2o69A1 ASN 31 H 0.08 0.77 0.30 -0.55 8.53 9.13 2o69A1 ASN 31 HA -0.05 0.15 0.68 -0.75 4.76 4.79 2o69A1 ASN 31 HB2 -0.05 0.06 0.04 -0.04 2.88 2.89 2o69A1 ASN 31 HB3 -0.13 -0.07 0.15 -0.04 2.79 2.69 2o69A1 ASN 31 HD21 -0.59 0.01 -0.08 -0.04 7.03 6.33 2o69A1 ASN 31 HD22 -1.76 -0.06 -0.03 -0.04 7.74 5.84 2o69A1 SER 32 H -0.03 0.18 -0.00 -0.55 8.46 8.06 2o69A1 SER 32 HA 0.03 0.25 0.93 -0.75 4.49 4.93 2o69A1 SER 32 HB2 -0.01 -0.02 0.05 -0.04 3.95 3.93 2o69A1 SER 32 HB3 0.01 0.02 0.14 -0.04 3.93 4.05 2o69A1 GLY 33 H 0.02 0.58 0.36 -0.55 8.43 8.84 2o69A1 GLY 33 HA2 -0.02 0.04 0.46 -0.51 4.01 3.99 2o69A1 GLY 33 HA3 -0.03 0.08 0.25 -0.51 4.01 3.79 2o69A1 LYS 34 H 0.00 0.17 0.16 -0.55 8.42 8.20 2o69A1 LYS 34 HA 0.03 0.15 0.83 -0.75 4.32 4.57 2o69A1 LYS 34 HB2 0.01 0.03 0.18 -0.04 1.87 2.06 2o69A1 LYS 34 HB3 0.02 -0.13 0.03 -0.04 1.79 1.67 2o69A1 LYS 34 HG2 0.02 0.01 0.09 -0.04 1.46 1.54 2o69A1 LYS 34 HG3 0.01 0.05 0.09 -0.04 1.46 1.57 2o69A1 LYS 34 HD2 0.01 0.04 0.07 -0.04 1.69 1.77 2o69A1 LYS 34 HD3 0.01 -0.01 0.06 -0.04 1.68 1.70 2o69A1 LYS 34 HE2 0.02 -0.03 0.04 -0.04 2.99 2.98 2o69A1 LYS 34 HE3 0.01 0.03 0.03 -0.04 2.99 3.03 2o69A1 SER 35 H 0.04 0.21 0.26 -0.55 8.46 8.42 2o69A1 SER 35 HA 0.25 0.12 0.19 -0.75 4.49 4.30 2o69A1 SER 35 HB2 0.01 -0.00 0.17 -0.04 3.95 4.08 2o69A1 SER 35 HB3 0.08 0.05 0.04 -0.04 3.93 4.07 2o69A1 GLU 36 H 0.03 0.08 -0.14 -0.55 8.60 8.02 2o69A1 GLU 36 HA 0.03 0.09 0.46 -0.75 4.29 4.11 2o69A1 GLU 36 HB2 0.02 -0.02 0.05 -0.04 2.09 2.08 2o69A1 GLU 36 HB3 0.01 0.09 -0.02 -0.04 1.99 2.03 2o69A1 GLU 36 HG2 0.01 0.03 0.02 -0.04 2.34 2.35 2o69A1 GLU 36 HG3 0.01 -0.08 0.03 -0.04 2.34 2.26 2o69A1 GLN 37 H 0.02 0.09 -0.23 -0.55 8.47 7.80 2o69A1 GLN 37 HA -0.01 0.11 0.50 -0.75 4.36 4.22 2o69A1 GLN 37 HB2 -0.01 0.05 0.12 -0.04 2.15 2.26 2o69A1 GLN 37 HB3 -0.02 0.07 0.03 -0.04 2.02 2.06 2o69A1 GLN 37 HG2 0.00 0.03 0.02 -0.04 2.40 2.41 2o69A1 GLN 37 HG3 0.00 -0.13 0.08 -0.04 2.39 2.30 2o69A1 GLN 37 HE21 -0.01 0.06 0.02 -0.04 6.97 6.99 2o69A1 GLN 37 HE22 -0.01 0.02 0.02 -0.04 7.69 7.68 2o69A1 LEU 38 H 0.01 0.56 -0.13 -0.55 8.37 8.26 2o69A1 LEU 38 HA -0.05 0.06 0.36 -0.75 4.35 3.97 2o69A1 LEU 38 HB2 0.04 0.03 -0.07 -0.04 1.64 1.60 2o69A1 LEU 38 HB3 -0.05 -0.00 -0.09 -0.04 1.64 1.45 2o69A1 LEU 38 HG 0.01 0.02 -0.25 -0.04 1.64 1.39 2o69A1 LEU 38 HD13 0.19 -0.02 -0.44 -0.04 0.93 0.62 2o69A1 LEU 38 HD23 -0.23 0.02 -0.22 -0.04 0.89 0.43 2o69A1 ALA 39 H -0.07 0.47 -0.20 -0.55 8.40 8.06 2o69A1 ALA 39 HA -0.28 0.04 0.29 -0.75 4.34 3.63 2o69A1 ALA 39 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 2o69A1 GLY 40 H -0.03 0.37 -0.27 -0.55 8.43 7.95 2o69A1 GLY 40 HA2 -0.01 0.01 0.35 -0.51 4.01 3.86 2o69A1 GLY 40 HA3 -0.01 0.07 0.34 -0.51 4.01 3.91 2o69A1 GLN 41 H -0.02 0.47 -0.19 -0.55 8.47 8.18 2o69A1 GLN 41 HA 0.01 0.01 0.28 -0.75 4.36 3.91 2o69A1 GLN 41 HB2 -0.01 0.04 0.07 -0.04 2.15 2.22 2o69A1 GLN 41 HB3 0.05 0.06 0.12 -0.04 2.02 2.20 2o69A1 GLN 41 HG2 0.10 -0.01 -0.09 -0.04 2.40 2.36 2o69A1 GLN 41 HG3 0.02 -0.00 0.01 -0.04 2.39 2.37 2o69A1 GLN 41 HE21 -0.13 -0.00 -0.05 -0.04 6.97 6.75 2o69A1 GLN 41 HE22 0.09 0.02 -0.05 -0.04 7.69 7.71 2o69A1 LEU 42 H -0.02 0.62 -0.08 -0.55 8.37 8.34 2o69A1 LEU 42 HA -0.04 -0.01 0.49 -0.75 4.35 4.04 2o69A1 LEU 42 HB2 -0.13 0.08 0.09 -0.04 1.64 1.64 2o69A1 LEU 42 HB3 -0.11 -0.01 -0.02 -0.04 1.64 1.46 2o69A1 LEU 42 HG -0.04 0.11 0.04 -0.04 1.64 1.71 2o69A1 LEU 42 HD13 -0.60 -0.05 -0.18 -0.04 0.93 0.06 2o69A1 LEU 42 HD23 -0.43 -0.02 -0.04 -0.04 0.89 0.36 2o69A1 LYS 43 H -0.03 0.54 -0.15 -0.55 8.42 8.23 2o69A1 LYS 43 HA -0.00 0.06 0.62 -0.75 4.32 4.24 2o69A1 GLU 44 H 0.00 0.50 -0.01 -0.55 8.60 8.55 2o69A1 GLU 44 HA 0.00 0.03 0.47 -0.75 4.29 4.04 2o69A1 GLU 44 HB2 0.00 -0.04 0.09 -0.04 2.09 2.11 2o69A1 GLU 44 HB3 0.01 0.03 0.15 -0.04 1.99 2.15 2o69A1 GLU 44 HG2 0.01 0.04 -0.27 -0.04 2.34 2.08 2o69A1 GLU 44 HG3 0.01 -0.02 0.01 -0.04 2.34 2.29 2o69A1 GLU 45 H 0.01 0.63 0.01 -0.55 8.60 8.70 2o69A1 GLU 45 HA 0.01 0.01 0.42 -0.75 4.29 3.97 2o69A1 GLU 45 HB2 0.00 0.07 0.11 -0.04 2.09 2.23 2o69A1 GLU 45 HB3 0.00 -0.07 -0.17 -0.04 1.99 1.71 2o69A1 GLU 45 HG2 0.04 -0.00 -0.03 -0.04 2.34 2.30 2o69A1 GLU 45 HG3 0.04 0.04 0.05 -0.04 2.34 2.43 2o69A1 GLY 46 H -0.01 0.37 -0.39 -0.55 8.43 7.85 2o69A1 GLY 46 HA2 -0.01 0.07 0.34 -0.51 4.01 3.90 2o69A1 GLY 46 HA3 -0.00 0.01 0.35 -0.51 4.01 3.86 2o69A1 ASP 47 H -0.00 0.15 0.22 -0.55 8.40 8.23 2o69A1 ASP 47 HA -0.01 0.08 0.43 -0.75 4.63 4.38 2o69A1 ASP 47 HB2 -0.00 0.03 0.19 -0.04 2.71 2.89 2o69A1 ASP 47 HB3 -0.00 -0.00 0.10 -0.04 2.70 2.76 2o69A1 LYS 48 H -0.01 0.54 -0.33 -0.55 8.42 8.07 2o69A1 LYS 48 HA -0.00 0.19 0.84 -0.75 4.32 4.60 2o69A1 THR 49 H -0.02 0.36 -0.33 -0.55 8.28 7.74 2o69A1 THR 49 HA -0.01 0.03 0.32 -0.75 4.39 3.98 2o69A1 THR 49 HB -0.06 0.08 0.01 -0.04 4.32 4.31 2o69A1 THR 49 HG23 -0.09 0.05 -0.08 -0.04 1.22 1.06 2o69A1 PRO 50 HA -0.01 0.21 0.74 -0.51 4.44 4.87 2o69A1 PRO 50 HB2 0.06 -0.04 -0.01 -0.04 2.28 2.25 2o69A1 PRO 50 HB3 0.03 0.06 0.09 -0.04 2.02 2.17 2o69A1 PRO 50 HG2 0.21 -0.05 -0.02 -0.04 2.03 2.13 2o69A1 PRO 50 HG3 0.08 0.05 0.04 -0.04 2.03 2.16 2o69A1 PRO 50 HD2 0.08 -0.01 0.18 -0.04 3.68 3.89 2o69A1 PRO 50 HD3 0.05 0.24 0.18 -0.04 3.65 4.08 2o69A1 ALA 51 H -0.26 0.05 -0.22 -0.55 8.40 7.42 2o69A1 ALA 51 HA -0.19 0.05 0.57 -0.75 4.34 4.01 2o69A1 ALA 51 HB3 -1.04 -0.00 -0.04 -0.04 1.41 0.29 2o69A1 ASP 52 H -0.06 0.49 0.39 -0.55 8.40 8.67 2o69A1 ASP 52 HA -0.03 0.15 0.92 -0.75 4.63 4.92 2o69A1 ASP 52 HB2 -0.03 0.04 0.16 -0.04 2.71 2.84 2o69A1 ASP 52 HB3 -0.00 -0.03 0.07 -0.04 2.70 2.70 2o69A1 VAL 53 H 0.01 0.39 0.39 -0.55 8.24 8.47 2o69A1 VAL 53 HA 0.12 0.28 0.99 -0.75 4.13 4.76 2o69A1 VAL 53 HB 0.06 -0.05 0.06 -0.04 2.12 2.15 2o69A1 VAL 53 HG13 0.33 0.00 -0.18 -0.04 0.97 1.08 2o69A1 VAL 53 HG23 0.14 -0.00 -0.19 -0.04 0.95 0.86 2o69A1 PHE 54 H 0.29 0.62 0.24 -0.55 8.34 8.93 2o69A1 PHE 54 HA 0.20 0.26 0.82 -0.75 4.62 5.15 2o69A1 PHE 54 HB2 0.11 0.03 -0.03 -0.04 3.15 3.23 2o69A1 PHE 54 HB3 0.26 -0.02 0.07 -0.04 3.06 3.33 2o69A1 PHE 54 HD2 0.27 0.16 -0.10 -0.04 7.28 7.57 2o69A1 PHE 54 HE2 -0.02 -0.04 -0.22 -0.04 7.38 7.06 2o69A1 PHE 54 HZ -0.06 -0.05 -0.04 -0.04 7.32 7.12 2o69A1 TYR 55 H 0.37 0.80 0.22 -0.55 8.29 9.14 2o69A1 TYR 55 HA 0.02 0.27 0.92 -0.75 4.56 5.02 2o69A1 TYR 55 HB2 0.19 0.04 -0.06 -0.04 3.06 3.19 2o69A1 TYR 55 HB3 0.11 -0.08 0.17 -0.04 2.98 3.14 2o69A1 TYR 55 HD2 0.07 -0.03 -0.06 -0.04 7.15 7.08 2o69A1 TYR 55 HE2 0.01 -0.01 -0.18 -0.04 6.85 6.63 2o69A1 THR 56 H -0.34 0.73 0.27 -0.55 8.28 8.39 2o69A1 THR 56 HA -0.33 -0.01 0.94 -0.75 4.39 4.24 2o69A1 THR 56 HB -1.35 0.08 -0.30 -0.04 4.32 2.71 2o69A1 THR 56 HG23 -0.91 0.04 -0.33 -0.04 1.22 -0.02 2o69A1 GLU 57 H -0.20 0.17 -0.03 -0.55 8.60 7.99 2o69A1 GLU 57 HA -0.21 0.14 0.67 -0.75 4.29 4.14 2o69A1 GLU 57 HB2 -0.10 0.02 0.10 -0.04 2.09 2.07 2o69A1 GLU 57 HB3 -0.10 0.01 0.08 -0.04 1.99 1.94 2o69A1 GLU 57 HG2 -0.08 0.04 -0.49 -0.04 2.34 1.77 2o69A1 GLU 57 HG3 -0.04 -0.00 -0.03 -0.04 2.34 2.22 2o69A1 GLN 58 H -0.29 -0.01 -0.21 -0.55 8.47 7.41 2o69A1 GLN 58 HA -0.15 0.50 1.02 -0.75 4.36 4.98 2o69A1 GLN 58 HB2 -0.10 0.00 -0.13 -0.04 2.15 1.88 2o69A1 GLN 58 HB3 -0.16 0.00 0.11 -0.04 2.02 1.93 2o69A1 GLN 58 HG2 -0.08 0.06 -0.01 -0.04 2.40 2.33 2o69A1 GLN 58 HG3 -0.17 -0.29 -0.17 -0.04 2.39 1.71 2o69A1 GLN 58 HE21 -0.02 0.06 0.05 -0.04 6.97 7.02 2o69A1 GLN 58 HE22 -0.04 -0.03 -0.00 -0.04 7.69 7.58 2o69A1 THR 59 H -0.18 0.73 0.18 -0.55 8.28 8.46 2o69A1 THR 59 HA -0.83 0.03 0.14 -0.75 4.39 2.98 2o69A1 THR 59 HB -0.83 -0.00 -0.06 -0.04 4.32 3.39 2o69A1 THR 59 HG23 0.05 0.05 -0.33 -0.04 1.22 0.95 2o69A1 ALA 60 H -0.23 0.07 -0.49 -0.55 8.40 7.21 2o69A1 ALA 60 HA -0.16 0.08 0.32 -0.75 4.34 3.83 2o69A1 ALA 60 HB3 -0.07 0.04 0.04 -0.04 1.41 1.37 2o69A1 THR 61 H -0.33 0.39 -0.21 -0.55 8.28 7.58 2o69A1 THR 61 HA -0.06 0.07 0.48 -0.75 4.39 4.12 2o69A1 THR 61 HB 0.09 0.03 -0.01 -0.04 4.32 4.40 2o69A1 THR 61 HG23 -0.04 -0.04 -0.09 -0.04 1.22 1.01 2o69A1 PHE 62 H -0.52 0.39 -0.42 -0.55 8.34 7.24 2o69A1 PHE 62 HA -0.06 0.08 0.49 -0.75 4.62 4.37 2o69A1 PHE 62 HB2 -1.20 0.24 0.02 -0.04 3.15 2.18 2o69A1 PHE 62 HB3 -0.80 -0.01 -0.11 -0.04 3.06 2.10 2o69A1 PHE 62 HD2 -0.76 0.02 -0.12 -0.04 7.28 6.38 2o69A1 PHE 62 HE2 -0.13 0.00 -0.22 -0.04 7.38 6.99 2o69A1 PHE 62 HZ -0.24 0.08 -0.45 -0.04 7.32 6.67 2o69A1 ALA 63 H -0.04 0.36 -0.24 -0.55 8.40 7.94 2o69A1 ALA 63 HA 0.21 0.07 0.27 -0.75 4.34 4.14 2o69A1 ALA 63 HB3 0.08 0.03 0.06 -0.04 1.41 1.54 2o69A1 ASP 64 H 0.05 0.19 -0.23 -0.55 8.40 7.86 2o69A1 ASP 64 HA 0.06 0.11 0.42 -0.75 4.63 4.46 2o69A1 ASP 64 HB2 0.03 -0.05 0.07 -0.04 2.71 2.72 2o69A1 ASP 64 HB3 0.04 0.07 0.02 -0.04 2.70 2.79 2o69A1 LEU 65 H 0.11 0.19 -0.24 -0.55 8.37 7.88 2o69A1 LEU 65 HA 0.07 0.12 0.43 -0.75 4.35 4.21 2o69A1 LEU 65 HB2 0.22 0.04 0.09 -0.04 1.64 1.95 2o69A1 LEU 65 HB3 0.13 0.01 -0.09 -0.04 1.64 1.66 2o69A1 LEU 65 HG 0.08 -0.02 0.01 -0.04 1.64 1.68 2o69A1 LEU 65 HD13 0.14 -0.02 -0.10 -0.04 0.93 0.91 2o69A1 LEU 65 HD23 0.00 0.05 -0.06 -0.04 0.89 0.85 2o69A1 SER 66 H 0.16 0.51 -0.25 -0.55 8.46 8.33 2o69A1 SER 66 HA 0.12 -0.00 0.42 -0.75 4.49 4.27 2o69A1 SER 66 HB2 0.30 -0.00 0.01 -0.04 3.95 4.21 2o69A1 SER 66 HB3 0.20 0.12 0.12 -0.04 3.93 4.33 2o69A1 GLU 67 H 0.10 0.43 -0.10 -0.55 8.60 8.48 2o69A1 GLU 67 HA 0.05 0.08 0.53 -0.75 4.29 4.20 2o69A1 GLU 67 HB2 0.06 -0.01 0.18 -0.04 2.09 2.28 2o69A1 GLU 67 HB3 0.04 -0.01 0.05 -0.04 1.99 2.04 2o69A1 GLU 67 HG2 0.05 0.00 0.05 -0.04 2.34 2.40 2o69A1 GLU 67 HG3 0.09 -0.00 0.07 -0.04 2.34 2.45 2o69A1 ALA 68 H 0.05 0.44 -0.26 -0.55 8.40 8.09 2o69A1 ALA 68 HA 0.03 0.09 0.66 -0.75 4.34 4.37 2o69A1 ALA 68 HB3 0.03 -0.02 0.11 -0.04 1.41 1.49 2o69A1 GLY 69 H 0.05 0.24 -0.56 -0.55 8.43 7.61 2o69A1 GLY 69 HA2 0.03 0.07 0.30 -0.51 4.01 3.90 2o69A1 GLY 69 HA3 0.02 0.06 0.25 -0.51 4.01 3.83 2o69A1 LEU 70 H 0.05 0.43 0.06 -0.55 8.37 8.37 2o69A1 LEU 70 HA 0.02 0.20 0.69 -0.75 4.35 4.51 2o69A1 LEU 70 HB2 0.04 0.01 -0.01 -0.04 1.64 1.65 2o69A1 LEU 70 HB3 0.01 -0.09 0.07 -0.04 1.64 1.59 2o69A1 LEU 70 HG 0.02 0.12 -0.38 -0.04 1.64 1.36 2o69A1 LEU 70 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 2o69A1 LEU 70 HD23 0.00 0.03 -0.06 -0.04 0.89 0.82 2o69A1 LEU 71 H 0.05 0.14 -0.06 -0.55 8.37 7.95 2o69A1 LEU 71 HA 0.04 0.17 1.08 -0.75 4.35 4.88 2o69A1 LEU 71 HB2 0.08 -0.07 0.03 -0.04 1.64 1.63 2o69A1 LEU 71 HB3 0.05 0.28 0.15 -0.04 1.64 2.07 2o69A1 LEU 71 HG 0.11 -0.10 -0.41 -0.04 1.64 1.19 2o69A1 LEU 71 HD13 0.16 -0.01 -0.07 -0.04 0.93 0.97 2o69A1 LEU 71 HD23 0.13 0.01 -0.25 -0.04 0.89 0.74 2o69A1 ALA 72 H 0.02 0.54 0.16 -0.55 8.40 8.57 2o69A1 ALA 72 HA 0.01 0.13 0.68 -0.75 4.34 4.41 2o69A1 ALA 72 HB3 0.01 -0.01 -0.06 -0.04 1.41 1.31 2o69A1 PRO 73 HA -0.04 0.19 0.49 -0.51 4.44 4.57 2o69A1 PRO 73 HB2 -0.02 -0.07 -0.06 -0.04 2.28 2.08 2o69A1 PRO 73 HB3 -0.04 0.08 0.08 -0.04 2.02 2.11 2o69A1 PRO 73 HG2 -0.01 -0.01 0.07 -0.04 2.03 2.03 2o69A1 PRO 73 HG3 -0.02 0.08 0.07 -0.04 2.03 2.12 2o69A1 PRO 73 HD2 -0.00 0.06 0.22 -0.04 3.68 3.91 2o69A1 PRO 73 HD3 -0.00 0.22 0.21 -0.04 3.65 4.04 2o69A1 ILE 74 H -0.07 0.79 0.41 -0.55 8.25 8.83 2o69A1 ILE 74 HA -0.02 0.09 0.76 -0.75 4.18 4.25 2o69A1 ILE 74 HB -0.08 0.07 -0.05 -0.04 1.89 1.79 2o69A1 ILE 74 HG12 -0.01 -0.05 -0.09 -0.04 1.49 1.29 2o69A1 ILE 74 HG13 -0.03 0.15 -0.30 -0.04 1.21 1.00 2o69A1 ILE 74 HG23 -0.04 0.03 -0.16 -0.04 0.93 0.71 2o69A1 ILE 74 HD13 -0.03 -0.05 -0.25 -0.04 0.88 0.51 2o69A1 SER 75 H -0.02 0.11 0.09 -0.55 8.46 8.09 2o69A1 SER 75 HA -0.03 0.08 0.38 -0.75 4.49 4.17 2o69A1 SER 75 HB2 -0.01 0.13 0.12 -0.04 3.95 4.14 2o69A1 SER 75 HB3 -0.01 0.02 0.15 -0.04 3.93 4.05 2o69A1 GLU 76 H -0.04 0.20 0.22 -0.55 8.60 8.43 2o69A1 GLU 76 HA -0.06 0.14 0.59 -0.75 4.29 4.21 2o69A1 GLU 76 HB2 -0.04 0.09 0.16 -0.04 2.09 2.26 2o69A1 GLU 76 HB3 -0.03 -0.05 0.14 -0.04 1.99 2.01 2o69A1 GLU 76 HG2 -0.03 0.03 -0.02 -0.04 2.34 2.28 2o69A1 GLU 76 HG3 -0.04 -0.02 -0.19 -0.04 2.34 2.05 2o69A1 GLN 77 H -0.03 0.08 -0.10 -0.55 8.47 7.88 2o69A1 GLN 77 HA -0.03 0.13 0.40 -0.75 4.36 4.11 2o69A1 THR 78 H -0.03 0.01 -0.42 -0.55 8.28 7.30 2o69A1 THR 78 HA -0.03 0.11 0.35 -0.75 4.39 4.06 2o69A1 THR 78 HB -0.03 0.14 0.03 -0.04 4.32 4.42 2o69A1 THR 78 HG23 -0.03 0.01 -0.19 -0.04 1.22 0.97 2o69A1 ILE 79 H -0.06 0.47 -0.12 -0.55 8.25 8.00 2o69A1 ILE 79 HA -0.08 0.01 0.43 -0.75 4.18 3.79 2o69A1 ILE 79 HB -0.09 0.05 0.18 -0.04 1.89 1.99 2o69A1 ILE 79 HG12 -0.14 -0.03 -0.01 -0.04 1.49 1.27 2o69A1 ILE 79 HG13 -0.09 0.09 -0.06 -0.04 1.21 1.11 2o69A1 ILE 79 HG23 -0.14 -0.01 -0.05 -0.04 0.93 0.68 2o69A1 ILE 79 HD13 -0.16 -0.00 -0.03 -0.04 0.88 0.65 2o69A1 GLN 80 H -0.05 0.48 -0.26 -0.55 8.47 8.10 2o69A1 GLN 80 HA -0.05 0.02 0.30 -0.75 4.36 3.87 2o69A1 GLN 81 H -0.04 0.33 -0.47 -0.55 8.47 7.74 2o69A1 GLN 81 HA -0.03 -0.03 0.46 -0.75 4.36 4.00 2o69A1 GLN 81 HB2 -0.04 0.16 0.16 -0.04 2.15 2.39 2o69A1 GLN 81 HB3 -0.04 0.01 0.12 -0.04 2.02 2.07 2o69A1 GLN 81 HG2 -0.03 0.19 0.18 -0.04 2.40 2.70 2o69A1 GLN 81 HG3 -0.03 -0.07 -0.00 -0.04 2.39 2.25 2o69A1 GLN 81 HE21 -0.02 -0.08 -0.03 -0.04 6.97 6.80 2o69A1 GLN 81 HE22 -0.02 0.33 0.03 -0.04 7.69 7.99 2o69A1 THR 82 H -0.05 0.38 -0.18 -0.55 8.28 7.88 2o69A1 THR 82 HA -0.05 0.22 0.71 -0.75 4.39 4.52 2o69A1 THR 82 HB -0.07 -0.11 0.11 -0.04 4.32 4.22 2o69A1 THR 82 HG23 -0.05 -0.04 -0.04 -0.04 1.22 1.06 2o69A1 ALA 83 H -0.05 0.34 -0.35 -0.55 8.40 7.79 2o69A1 ALA 83 HA -0.07 0.17 0.45 -0.75 4.34 4.13 2o69A1 ALA 83 HB3 -0.06 0.00 0.06 -0.04 1.41 1.37 2o69A1 GLN 84 H -0.04 0.31 -0.46 -0.55 8.47 7.73 2o69A1 GLN 84 HA 0.03 -0.02 0.46 -0.75 4.36 4.07 2o69A1 GLN 84 HB2 0.03 0.04 -0.01 -0.04 2.15 2.17 2o69A1 GLN 84 HB3 0.18 -0.01 -0.01 -0.04 2.02 2.14 2o69A1 GLN 84 HG2 0.04 -0.07 0.02 -0.04 2.40 2.35 2o69A1 GLN 84 HG3 0.00 0.26 0.03 -0.04 2.39 2.64 2o69A1 GLN 84 HE21 0.12 -0.11 -0.13 -0.04 6.97 6.81 2o69A1 GLN 84 HE22 0.01 0.61 -0.20 -0.04 7.69 8.07 2o69A1 LYS 85 H 0.05 0.06 0.15 -0.55 8.42 8.12 2o69A1 LYS 85 HA 0.02 0.04 0.42 -0.75 4.32 4.05 2o69A1 GLY 86 H 0.03 0.13 0.10 -0.55 8.43 8.14 2o69A1 GLY 86 HA2 0.05 -0.03 0.23 -0.51 4.01 3.75 2o69A1 GLY 86 HA3 0.13 0.16 0.56 -0.51 4.01 4.36 2o69A1 VAL 87 H 0.03 0.52 -0.28 -0.55 8.24 7.96 2o69A1 VAL 87 HA -0.35 0.03 0.43 -0.75 4.13 3.48 2o69A1 VAL 87 HB -0.11 0.08 0.07 -0.04 2.12 2.12 2o69A1 VAL 87 HG13 -0.20 0.05 -0.11 -0.04 0.97 0.67 2o69A1 VAL 87 HG23 -0.26 0.02 -0.08 -0.04 0.95 0.60 2o69A1 PRO 88 HA -0.03 0.02 0.44 -0.51 4.44 4.37 2o69A1 PRO 88 HB2 0.30 -0.09 -0.11 -0.04 2.28 2.35 2o69A1 PRO 88 HB3 0.18 -0.01 -0.00 -0.04 2.02 2.14 2o69A1 PRO 88 HG2 -0.31 -0.10 0.06 -0.04 2.03 1.63 2o69A1 PRO 88 HG3 -0.12 0.10 0.08 -0.04 2.03 2.06 2o69A1 PRO 88 HD2 -1.06 0.02 0.19 -0.04 3.68 2.79 2o69A1 PRO 88 HD3 -0.72 0.39 0.29 -0.04 3.65 3.56 2o69A1 LEU 89 H -0.06 0.22 0.12 -0.55 8.37 8.10 2o69A1 LEU 89 HA -0.38 0.12 0.71 -0.75 4.35 4.04 2o69A1 LEU 89 HB2 -0.13 -0.04 0.06 -0.04 1.64 1.49 2o69A1 LEU 89 HB3 -0.21 0.05 -0.07 -0.04 1.64 1.37 2o69A1 LEU 89 HG -0.11 0.17 -0.16 -0.04 1.64 1.50 2o69A1 LEU 89 HD13 -0.09 -0.00 -0.05 -0.04 0.93 0.74 2o69A1 LEU 89 HD23 -0.15 0.03 -0.13 -0.04 0.89 0.60 2o69A1 ALA 90 H -1.17 0.23 0.08 -0.55 8.40 6.99 2o69A1 ALA 90 HA -0.62 0.13 0.64 -0.75 4.34 3.74 2o69A1 ALA 90 HB3 -1.59 0.01 0.09 -0.04 1.41 -0.11 2o69A1 PRO 91 HA -0.11 0.15 0.48 -0.51 4.44 4.45 2o69A1 PRO 91 HB2 -0.03 0.06 0.01 -0.04 2.28 2.28 2o69A1 PRO 91 HB3 -0.03 0.06 0.11 -0.04 2.02 2.12 2o69A1 PRO 91 HG2 0.02 -0.00 0.07 -0.04 2.03 2.07 2o69A1 PRO 91 HG3 0.04 0.05 0.08 -0.04 2.03 2.16 2o69A1 PRO 91 HD2 0.03 -0.02 0.24 -0.04 3.68 3.90 2o69A1 PRO 91 HD3 -0.01 0.31 0.25 -0.04 3.65 4.16 2o69A1 LYS 92 H -0.12 0.00 -0.27 -0.55 8.42 7.48 2o69A1 LYS 92 HA -0.06 0.26 0.70 -0.75 4.32 4.46 2o69A1 LYS 92 HB2 -0.01 -0.09 -0.01 -0.04 1.87 1.71 2o69A1 LYS 92 HB3 -0.03 0.08 0.05 -0.04 1.79 1.85 2o69A1 LYS 92 HG2 -0.01 0.06 -0.00 -0.04 1.46 1.46 2o69A1 LYS 92 HG3 -0.01 -0.04 -0.19 -0.04 1.46 1.18 2o69A1 LYS 92 HD2 0.01 0.03 -0.03 -0.04 1.69 1.66 2o69A1 LYS 92 HD3 0.03 -0.07 -0.08 -0.04 1.68 1.53 2o69A1 LYS 92 HE2 0.03 -0.08 -0.03 -0.04 2.99 2.86 2o69A1 LYS 92 HE3 0.01 0.02 0.00 -0.04 2.99 2.98 2o69A1 LYS 93 H -0.25 0.23 -0.49 -0.55 8.42 7.36 2o69A1 LYS 93 HA -0.27 0.05 0.31 -0.75 4.32 3.65 2o69A1 LYS 93 HB2 -0.10 0.16 -0.27 -0.04 1.87 1.62 2o69A1 LYS 93 HB3 -0.12 0.00 0.16 -0.04 1.79 1.79 2o69A1 LYS 93 HG2 -0.15 0.02 -0.00 -0.04 1.46 1.28 2o69A1 LYS 93 HG3 -0.12 0.09 -0.24 -0.04 1.46 1.15 2o69A1 LYS 93 HD2 -0.07 0.01 -0.06 -0.04 1.69 1.53 2o69A1 LYS 93 HD3 -0.08 -0.06 0.00 -0.04 1.68 1.50 2o69A1 LYS 93 HE2 -0.08 0.07 -0.02 -0.04 2.99 2.92 2o69A1 LYS 93 HE3 -0.06 -0.02 -0.01 -0.04 2.99 2.86 2o69A1 ASP 94 H -0.30 -0.11 -0.23 -0.55 8.40 7.21 2o69A1 ASP 94 HA -0.07 0.27 0.78 -0.75 4.63 4.86 2o69A1 ASP 94 HB2 0.02 0.01 -0.21 -0.04 2.71 2.49 2o69A1 ASP 94 HB3 -0.03 0.15 -0.40 -0.04 2.70 2.38 2o69A1 TRP 95 H -0.44 0.21 0.06 -0.55 7.97 7.25 2o69A1 TRP 95 HA -0.30 0.18 0.34 -0.75 4.62 4.08 2o69A1 TRP 95 HB2 -1.03 -0.01 0.05 -0.04 3.23 2.20 2o69A1 TRP 95 HB3 -0.75 0.16 0.17 -0.04 3.23 2.78 2o69A1 TRP 95 HD1 -0.09 0.10 -0.32 -0.04 7.22 6.87 2o69A1 TRP 95 HE1 0.06 0.01 -0.17 -0.04 10.20 10.06 2o69A1 TRP 95 HE3 -0.02 0.06 -0.57 -0.04 7.59 7.02 2o69A1 TRP 95 HZ2 0.05 0.03 -0.22 -0.04 7.44 7.26 2o69A1 TRP 95 HZ3 0.00 0.10 -0.29 -0.04 7.13 6.90 2o69A1 TRP 95 HH2 -0.01 0.01 -0.39 -0.04 7.19 6.76 2o69A1 ILE 96 H 0.20 0.53 0.29 -0.55 8.25 8.72 2o69A1 ILE 96 HA 0.01 0.15 0.94 -0.75 4.18 4.52 2o69A1 ILE 96 HB -0.04 -0.01 -0.28 -0.04 1.89 1.53 2o69A1 ILE 96 HG12 0.01 0.20 -0.22 -0.04 1.49 1.45 2o69A1 ILE 96 HG13 -0.05 0.01 0.07 -0.04 1.21 1.21 2o69A1 ILE 96 HG23 0.03 0.02 -0.09 -0.04 0.93 0.85 2o69A1 ILE 96 HD13 -0.04 -0.02 -0.21 -0.04 0.88 0.56 2o69A1 ALA 97 H 0.14 0.27 0.14 -0.55 8.40 8.40 2o69A1 ALA 97 HA 0.21 0.05 0.78 -0.75 4.34 4.62 2o69A1 ALA 97 HB3 0.11 0.03 0.06 -0.04 1.41 1.56 2o69A1 LEU 98 H 0.06 0.59 0.44 -0.55 8.37 8.92 2o69A1 LEU 98 HA -0.01 0.22 0.88 -0.75 4.35 4.70 2o69A1 LEU 98 HB2 0.01 -0.08 -0.12 -0.04 1.64 1.40 2o69A1 LEU 98 HB3 -0.00 0.06 -0.09 -0.04 1.64 1.57 2o69A1 LEU 98 HG 0.06 -0.04 -0.25 -0.04 1.64 1.36 2o69A1 LEU 98 HD13 0.09 -0.02 -0.23 -0.04 0.93 0.74 2o69A1 LEU 98 HD23 -0.02 0.08 -0.32 -0.04 0.89 0.58 2o69A1 SER 99 H 0.03 0.27 0.32 -0.55 8.46 8.53 2o69A1 SER 99 HA 0.01 0.36 0.72 -0.75 4.49 4.83 2o69A1 SER 99 HB2 -0.02 0.02 -0.05 -0.04 3.95 3.87 2o69A1 SER 99 HB3 -0.02 0.10 -0.19 -0.04 3.93 3.77 2o69A1 GLY 100 H 0.08 0.55 0.32 -0.55 8.43 8.84 2o69A1 GLY 100 HA2 -0.08 0.26 1.03 -0.51 4.01 4.71 2o69A1 GLY 100 HA3 -0.06 0.07 0.36 -0.51 4.01 3.87 2o69A1 ARG 101 H -0.06 0.64 0.38 -0.55 8.46 8.87 2o69A1 ARG 101 HA 0.25 0.15 0.79 -0.75 4.34 4.77 2o69A1 ARG 101 HB2 0.26 -0.09 0.13 -0.04 1.90 2.17 2o69A1 ARG 101 HB3 0.12 0.04 0.10 -0.04 1.80 2.02 2o69A1 ARG 101 HG2 0.01 0.16 0.19 -0.04 1.67 1.99 2o69A1 ARG 101 HG3 0.12 -0.05 0.02 -0.04 1.67 1.71 2o69A1 ARG 101 HD2 0.13 -0.08 -0.01 -0.04 3.22 3.22 2o69A1 ARG 101 HD3 -0.07 0.01 -0.05 -0.04 3.22 3.06 2o69A1 SER 102 H 0.28 0.09 0.25 -0.55 8.46 8.54 2o69A1 SER 102 HA 0.02 0.33 0.91 -0.75 4.49 4.99 2o69A1 SER 102 HB2 -0.01 -0.02 -0.00 -0.04 3.95 3.88 2o69A1 SER 102 HB3 0.37 -0.14 0.06 -0.04 3.93 4.18 2o69A1 ARG 103 H 0.01 0.56 0.24 -0.55 8.46 8.71 2o69A1 ARG 103 HA 0.01 0.07 0.95 -0.75 4.34 4.62 2o69A1 ARG 103 HB2 -0.04 0.22 0.06 -0.04 1.90 2.10 2o69A1 ARG 103 HB3 -0.02 -0.01 0.11 -0.04 1.80 1.84 2o69A1 ARG 103 HG2 -0.03 0.24 0.11 -0.04 1.67 1.95 2o69A1 ARG 103 HG3 -0.05 -0.02 0.04 -0.04 1.67 1.60 2o69A1 ARG 103 HD2 0.03 0.00 -0.04 -0.04 3.22 3.17 2o69A1 ARG 103 HD3 0.03 -0.10 -0.05 -0.04 3.22 3.06 2o69A1 VAL 104 H -0.07 0.55 0.37 -0.55 8.24 8.53 2o69A1 VAL 104 HA -0.32 0.20 0.74 -0.75 4.13 3.99 2o69A1 VAL 104 HB -0.34 -0.01 -0.36 -0.04 2.12 1.37 2o69A1 VAL 104 HG13 -0.15 -0.03 -0.39 -0.04 0.97 0.36 2o69A1 VAL 104 HG23 -1.07 0.02 -0.12 -0.04 0.95 -0.25 2o69A1 VAL 105 H -0.27 0.62 0.27 -0.55 8.24 8.31 2o69A1 VAL 105 HA -0.19 0.26 1.06 -0.75 4.13 4.51 2o69A1 VAL 105 HB 0.06 -0.00 0.22 -0.04 2.12 2.35 2o69A1 VAL 105 HG13 -0.30 0.01 -0.15 -0.04 0.97 0.49 2o69A1 VAL 105 HG23 -0.31 -0.02 -0.07 -0.04 0.95 0.52 2o69A1 VAL 106 H -0.11 0.37 0.18 -0.55 8.24 8.13 2o69A1 VAL 106 HA -0.21 0.23 0.97 -0.75 4.13 4.37 2o69A1 VAL 106 HB -0.10 -0.11 -0.01 -0.04 2.12 1.86 2o69A1 VAL 106 HG13 -0.03 0.01 -0.07 -0.04 0.97 0.84 2o69A1 VAL 106 HG23 -0.06 0.02 -0.09 -0.04 0.95 0.77 2o69A1 TYR 107 H -0.23 0.70 0.33 -0.55 8.29 8.55 2o69A1 TYR 107 HA 0.03 0.25 0.85 -0.75 4.56 4.93 2o69A1 TYR 107 HB2 0.09 0.13 -0.02 -0.04 3.06 3.21 2o69A1 TYR 107 HB3 0.03 -0.03 -0.20 -0.04 2.98 2.73 2o69A1 TYR 107 HD2 0.03 0.09 -0.42 -0.04 7.15 6.81 2o69A1 TYR 107 HE2 0.07 0.11 -0.37 -0.04 6.85 6.62 2o69A1 ASP 108 H 0.17 0.80 0.26 -0.55 8.40 9.08 2o69A1 ASP 108 HA 0.06 0.03 0.46 -0.75 4.63 4.43 2o69A1 ASP 108 HB2 0.08 0.16 0.18 -0.04 2.71 3.09 2o69A1 ASP 108 HB3 0.12 -0.02 0.33 -0.04 2.70 3.09 2o69A1 HIS 109 H 0.14 0.63 0.31 -0.55 8.41 8.95 2o69A1 HIS 109 HA 0.25 0.33 0.52 -0.75 4.63 4.98 2o69A1 HIS 109 HB2 0.12 -0.07 0.17 -0.04 3.26 3.45 2o69A1 HIS 109 HB3 -0.26 -0.05 0.11 -0.04 3.20 2.96 2o69A1 HIS 109 HD2 0.06 -0.09 0.02 -0.04 6.97 6.91 2o69A1 HIS 109 HE1 0.03 0.09 0.02 -0.04 7.75 7.84 2o69A1 THR 110 H 0.01 0.06 -0.33 -0.55 8.28 7.46 2o69A1 THR 110 HA -0.15 0.17 0.77 -0.75 4.39 4.44 2o69A1 THR 110 HB -0.06 -0.00 0.12 -0.04 4.32 4.34 2o69A1 THR 110 HG23 -0.13 0.00 0.00 -0.04 1.22 1.06 2o69A1 LYS 111 H 0.07 0.26 -0.12 -0.55 8.42 8.07 2o69A1 LYS 111 HA 0.02 0.15 0.79 -0.75 4.32 4.53 2o69A1 LYS 111 HB2 0.08 0.06 0.14 -0.04 1.87 2.11 2o69A1 LYS 111 HB3 0.04 -0.01 0.07 -0.04 1.79 1.85 2o69A1 LYS 111 HG2 0.02 0.02 0.01 -0.04 1.46 1.47 2o69A1 LYS 111 HG3 0.03 -0.10 -0.25 -0.04 1.46 1.10 2o69A1 LYS 111 HD2 0.05 -0.02 -0.01 -0.04 1.69 1.66 2o69A1 LYS 111 HD3 0.05 0.01 -0.01 -0.04 1.68 1.69 2o69A1 LYS 111 HE2 0.03 0.09 -0.01 -0.04 2.99 3.06 2o69A1 LYS 111 HE3 0.02 -0.01 -0.00 -0.04 2.99 2.96 2o69A1 LEU 112 H 0.16 0.41 0.19 -0.55 8.37 8.58 2o69A1 LEU 112 HA 0.04 0.12 0.78 -0.75 4.35 4.54 2o69A1 LEU 112 HB2 0.25 0.02 -0.09 -0.04 1.64 1.78 2o69A1 LEU 112 HB3 0.05 -0.02 -0.05 -0.04 1.64 1.58 2o69A1 LEU 112 HG 0.10 -0.04 -0.35 -0.04 1.64 1.31 2o69A1 LEU 112 HD13 0.32 0.02 -0.13 -0.04 0.93 1.10 2o69A1 LEU 112 HD23 -0.06 0.03 -0.02 -0.04 0.89 0.80 2o69A1 SER 113 H -0.02 0.12 0.12 -0.55 8.46 8.13 2o69A1 SER 113 HA 0.17 0.28 0.85 -0.75 4.49 5.03 2o69A1 SER 113 HB2 0.05 -0.05 0.12 -0.04 3.95 4.03 2o69A1 SER 113 HB3 0.05 0.14 -0.09 -0.04 3.93 3.99 2o69A1 GLU 114 H 0.04 0.19 0.13 -0.55 8.60 8.42 2o69A1 GLU 114 HA -0.29 0.11 0.40 -0.75 4.29 3.75 2o69A1 GLU 114 HB2 0.11 0.04 0.13 -0.04 2.09 2.33 2o69A1 GLU 114 HB3 0.05 -0.02 0.13 -0.04 1.99 2.11 2o69A1 GLU 114 HG2 0.04 0.03 -0.16 -0.04 2.34 2.20 2o69A1 GLU 114 HG3 0.23 0.02 0.04 -0.04 2.34 2.58 2o69A1 LYS 115 H -0.03 0.03 -0.24 -0.55 8.42 7.63 2o69A1 LYS 115 HA -0.04 0.15 0.34 -0.75 4.32 4.01 2o69A1 ASP 116 H -0.08 0.13 -0.36 -0.55 8.40 7.55 2o69A1 ASP 116 HA -0.04 0.12 0.73 -0.75 4.63 4.69 2o69A1 ASP 116 HB2 -0.03 0.10 0.01 -0.04 2.71 2.75 2o69A1 ASP 116 HB3 -0.02 0.03 0.04 -0.04 2.70 2.71 2o69A1 MET 117 H -0.19 0.35 -0.31 -0.55 8.47 7.78 2o69A1 MET 117 HA 0.04 0.03 0.32 -0.75 4.52 4.16 2o69A1 MET 117 HB2 -0.84 0.18 0.05 -0.04 2.15 1.49 2o69A1 MET 117 HB3 -1.22 -0.07 0.01 -0.04 2.03 0.71 2o69A1 MET 117 HG2 -0.51 0.11 -0.01 -0.04 2.63 2.18 2o69A1 MET 117 HG3 -0.93 -0.08 -0.01 -0.04 2.56 1.49 2o69A1 MET 117 HE3 -0.01 0.01 -0.24 -0.04 2.10 1.82 2o69A1 GLU 118 H -0.13 0.08 0.06 -0.55 8.60 8.06 2o69A1 GLU 118 HA -0.06 0.23 0.73 -0.75 4.29 4.43 2o69A1 GLU 118 HB2 -0.78 0.01 -0.02 -0.04 2.09 1.27 2o69A1 GLU 118 HB3 -0.23 -0.16 0.08 -0.04 1.99 1.64 2o69A1 GLU 118 HG2 -0.43 0.04 -0.16 -0.04 2.34 1.75 2o69A1 GLU 118 HG3 -0.74 -0.04 -0.26 -0.04 2.34 1.26 2o69A1 LYS 119 H 0.02 0.15 0.13 -0.55 8.42 8.16 2o69A1 LYS 119 HA 0.23 0.21 0.57 -0.75 4.32 4.58 2o69A1 SER 120 H 0.02 0.14 -0.15 -0.55 8.46 7.93 2o69A1 SER 120 HA 0.05 0.20 0.78 -0.75 4.49 4.76 2o69A1 SER 120 HB2 0.05 0.17 -0.17 -0.04 3.95 3.96 2o69A1 SER 120 HB3 0.01 -0.07 -0.01 -0.04 3.93 3.82 2o69A1 VAL 121 H 0.00 0.12 0.08 -0.55 8.24 7.90 2o69A1 VAL 121 HA 0.39 0.16 0.44 -0.75 4.13 4.37 2o69A1 VAL 121 HB -0.03 -0.03 0.09 -0.04 2.12 2.10 2o69A1 VAL 121 HG13 -0.40 0.01 -0.16 -0.04 0.97 0.37 2o69A1 VAL 121 HG23 0.20 0.03 -0.03 -0.04 0.95 1.11 2o69A1 LEU 122 H -0.04 0.05 -0.27 -0.55 8.37 7.56 2o69A1 LEU 122 HA 0.18 0.10 0.35 -0.75 4.35 4.23 2o69A1 LEU 122 HB2 0.00 -0.03 -0.01 -0.04 1.64 1.57 2o69A1 LEU 122 HB3 0.06 0.09 -0.04 -0.04 1.64 1.71 2o69A1 LEU 122 HG -0.17 -0.11 0.01 -0.04 1.64 1.32 2o69A1 LEU 122 HD13 -0.04 0.03 -0.02 -0.04 0.93 0.86 2o69A1 LEU 122 HD23 -0.24 0.02 -0.05 -0.04 0.89 0.57 2o69A1 ASP 123 H 0.01 0.26 -0.50 -0.55 8.40 7.62 2o69A1 ASP 123 HA 0.04 0.12 0.19 -0.75 4.63 4.22 2o69A1 ASP 123 HB2 -0.17 0.07 0.09 -0.04 2.71 2.65 2o69A1 ASP 123 HB3 -0.08 0.06 0.02 -0.04 2.70 2.66 2o69A1 TYR 124 H 0.05 0.25 -0.41 -0.55 8.29 7.63 2o69A1 TYR 124 HA -0.75 0.12 0.37 -0.75 4.56 3.55 2o69A1 TYR 124 HB2 -0.09 0.09 0.01 -0.04 3.06 3.04 2o69A1 TYR 124 HB3 -0.40 0.01 -0.02 -0.04 2.98 2.52 2o69A1 TYR 124 HD2 -1.12 0.01 0.00 -0.04 7.15 6.00 2o69A1 TYR 124 HE2 -0.65 0.04 -0.14 -0.04 6.85 6.05 2o69A1 ALA 125 H 0.14 0.31 -0.41 -0.55 8.40 7.89 2o69A1 ALA 125 HA -0.11 0.16 0.45 -0.75 4.34 4.09 2o69A1 ALA 125 HB3 -0.35 -0.03 0.08 -0.04 1.41 1.08 2o69A1 THR 126 H 0.16 0.35 -0.57 -0.55 8.28 7.67 2o69A1 THR 126 HA 0.06 0.20 0.72 -0.75 4.39 4.61 2o69A1 THR 126 HB 0.08 -0.02 0.12 -0.04 4.32 4.45 2o69A1 THR 126 HG23 0.08 -0.02 -0.27 -0.04 1.22 0.98 2o69A1 PRO 127 HA 0.04 0.13 0.36 -0.51 4.44 4.46 2o69A1 PRO 127 HB2 0.01 0.02 0.01 -0.04 2.28 2.28 2o69A1 PRO 127 HB3 0.01 0.06 0.10 -0.04 2.02 2.15 2o69A1 PRO 127 HG2 0.01 0.03 0.07 -0.04 2.03 2.10 2o69A1 PRO 127 HG3 0.02 0.08 0.06 -0.04 2.03 2.14 2o69A1 PRO 127 HD2 0.04 0.09 0.18 -0.04 3.68 3.94 2o69A1 PRO 127 HD3 0.04 0.17 0.20 -0.04 3.65 4.01 2o69A1 LYS 128 H 0.06 0.08 -0.36 -0.55 8.42 7.66 2o69A1 LYS 128 HA -0.13 0.08 0.40 -0.75 4.32 3.91 2o69A1 TRP 129 H 0.21 0.37 -0.39 -0.55 7.97 7.61 2o69A1 TRP 129 HA 0.03 0.17 0.69 -0.75 4.62 4.76 2o69A1 TRP 129 HB2 0.05 0.18 0.10 -0.04 3.23 3.52 2o69A1 TRP 129 HB3 0.09 -0.11 0.10 -0.04 3.23 3.26 2o69A1 TRP 129 HD1 -0.04 0.02 -0.07 -0.04 7.22 7.09 2o69A1 TRP 129 HE1 -0.19 -0.03 -0.16 -0.04 10.20 9.78 2o69A1 TRP 129 HE3 0.11 -0.01 -0.22 -0.04 7.59 7.43 2o69A1 TRP 129 HZ2 -0.06 0.21 -0.05 -0.04 7.44 7.50 2o69A1 TRP 129 HZ3 0.10 0.02 -0.12 -0.04 7.13 7.09 2o69A1 TRP 129 HH2 0.05 -0.04 -0.17 -0.04 7.19 6.98 2o69A1 LYS 130 H 0.04 0.37 -0.26 -0.55 8.42 8.02 2o69A1 LYS 130 HA 0.08 0.09 0.45 -0.75 4.32 4.19 2o69A1 LYS 130 HB2 0.03 -0.06 0.16 -0.04 1.87 1.95 2o69A1 LYS 130 HB3 0.01 -0.00 0.14 -0.04 1.79 1.90 2o69A1 LYS 130 HG2 0.02 -0.03 -0.12 -0.04 1.46 1.29 2o69A1 LYS 130 HG3 0.03 0.08 0.12 -0.04 1.46 1.65 2o69A1 LYS 130 HD2 0.01 0.05 0.02 -0.04 1.69 1.73 2o69A1 LYS 130 HD3 0.01 -0.06 0.02 -0.04 1.68 1.61 2o69A1 LYS 130 HE2 -0.00 -0.06 0.01 -0.04 2.99 2.90 2o69A1 LYS 130 HE3 -0.00 -0.00 0.02 -0.04 2.99 2.96 2o69A1 GLY 131 H 0.07 0.50 0.34 -0.55 8.43 8.79 2o69A1 GLY 131 HA2 0.06 -0.03 0.35 -0.51 4.01 3.88 2o69A1 GLY 131 HA3 0.05 0.02 0.51 -0.51 4.01 4.08 2o69A1 LYS 132 H 0.19 0.42 0.00 -0.55 8.42 8.48 2o69A1 LYS 132 HA 0.16 0.15 0.83 -0.75 4.32 4.70 2o69A1 LYS 132 HB2 0.24 0.12 -0.17 -0.04 1.87 2.02 2o69A1 LYS 132 HB3 0.30 -0.12 0.02 -0.04 1.79 1.95 2o69A1 LYS 132 HG2 0.02 -0.08 -0.05 -0.04 1.46 1.30 2o69A1 LYS 132 HG3 0.03 0.11 -0.35 -0.04 1.46 1.21 2o69A1 LYS 132 HD2 -0.12 0.11 -0.10 -0.04 1.69 1.54 2o69A1 LYS 132 HD3 -0.34 -0.02 0.02 -0.04 1.68 1.30 2o69A1 LYS 132 HE2 -0.11 -0.05 -0.01 -0.04 2.99 2.78 2o69A1 LYS 132 HE3 -0.15 -0.03 0.00 -0.04 2.99 2.77 2o69A1 ILE 133 H 0.23 0.17 0.17 -0.55 8.25 8.27 2o69A1 ILE 133 HA 0.16 0.22 0.80 -0.75 4.18 4.61 2o69A1 ILE 133 HB 0.20 0.05 -0.08 -0.04 1.89 2.02 2o69A1 ILE 133 HG12 -0.13 -0.04 -0.11 -0.04 1.49 1.17 2o69A1 ILE 133 HG13 -0.00 0.03 -0.22 -0.04 1.21 0.98 2o69A1 ILE 133 HG23 0.12 0.06 -0.00 -0.04 0.93 1.07 2o69A1 ILE 133 HD13 -0.31 -0.02 -0.21 -0.04 0.88 0.30 2o69A1 GLY 134 H 0.14 0.63 0.50 -0.55 8.43 9.15 2o69A1 GLY 134 HA2 0.27 0.34 1.03 -0.51 4.01 5.14 2o69A1 GLY 134 HA3 0.30 -0.04 0.44 -0.51 4.01 4.20 2o69A1 TYR 135 H 0.02 0.67 0.37 -0.55 8.29 8.79 2o69A1 TYR 135 HA 0.03 0.11 0.54 -0.75 4.56 4.49 2o69A1 TYR 135 HB2 0.03 -0.08 0.04 -0.04 3.06 3.01 2o69A1 TYR 135 HB3 -0.04 0.12 -0.12 -0.04 2.98 2.89 2o69A1 TYR 135 HD2 -0.26 -0.02 -0.23 -0.04 7.15 6.60 2o69A1 TYR 135 HE2 -0.19 0.07 -0.36 -0.04 6.85 6.32 2o69A1 VAL 136 H 0.06 0.24 0.05 -0.55 8.24 8.04 2o69A1 VAL 136 HA -0.26 0.39 0.91 -0.75 4.13 4.42 2o69A1 VAL 136 HB -0.01 -0.05 0.15 -0.04 2.12 2.16 2o69A1 VAL 136 HG13 -0.08 -0.05 -0.19 -0.04 0.97 0.61 2o69A1 VAL 136 HG23 -0.06 -0.00 -0.43 -0.04 0.95 0.42 2o69A1 SER 137 H -0.43 0.30 0.09 -0.55 8.46 7.88 2o69A1 SER 137 HA -1.77 0.10 0.39 -0.75 4.49 2.45 2o69A1 SER 137 HB2 -0.29 0.04 0.05 -0.04 3.95 3.71 2o69A1 SER 137 HB3 -0.32 0.07 0.02 -0.04 3.93 3.67 2o69A1 THR 138 H -0.18 0.08 -0.27 -0.55 8.28 7.36 2o69A1 THR 138 HA -0.03 0.19 0.51 -0.75 4.39 4.31 2o69A1 THR 138 HB -0.03 -0.00 0.13 -0.04 4.32 4.38 2o69A1 THR 138 HG23 -0.08 0.01 -0.02 -0.04 1.22 1.08 2o69A1 SER 139 H -0.01 0.25 -0.39 -0.55 8.46 7.77 2o69A1 SER 139 HA 0.05 0.14 0.53 -0.75 4.49 4.46 2o69A1 SER 139 HB2 0.07 -0.06 0.16 -0.04 3.95 4.08 2o69A1 SER 139 HB3 0.03 0.09 0.09 -0.04 3.93 4.10 2o69A1 GLY 140 H 0.09 0.17 0.22 -0.55 8.43 8.36 2o69A1 GLY 140 HA2 0.08 0.17 0.53 -0.51 4.01 4.28 2o69A1 GLY 140 HA3 0.07 0.05 0.37 -0.51 4.01 3.99 2o69A1 ALA 141 H 0.12 0.05 -0.10 -0.55 8.40 7.92 2o69A1 ALA 141 HA 0.07 0.11 0.37 -0.75 4.34 4.13 2o69A1 ALA 141 HB3 0.11 0.03 -0.00 -0.04 1.41 1.50 2o69A1 PHE 142 H 0.25 0.06 -0.52 -0.55 8.34 7.58 2o69A1 PHE 142 HA 0.12 0.10 0.45 -0.75 4.62 4.54 2o69A1 PHE 142 HB2 0.09 0.02 0.14 -0.04 3.15 3.35 2o69A1 PHE 142 HB3 0.08 0.16 0.07 -0.04 3.06 3.33 2o69A1 PHE 142 HD2 0.14 0.01 -0.12 -0.04 7.28 7.27 2o69A1 PHE 142 HE2 0.02 0.04 -0.07 -0.04 7.38 7.32 2o69A1 PHE 142 HZ -0.16 0.08 -0.08 -0.04 7.32 7.12 2o69A1 LEU 143 H 0.23 0.45 -0.11 -0.55 8.37 8.39 2o69A1 LEU 143 HA 0.12 0.08 0.37 -0.75 4.35 4.16 2o69A1 LEU 143 HB2 0.12 0.11 0.17 -0.04 1.64 2.00 2o69A1 LEU 143 HB3 0.06 -0.02 -0.00 -0.04 1.64 1.64 2o69A1 LEU 143 HG 0.06 -0.05 0.04 -0.04 1.64 1.65 2o69A1 LEU 143 HD13 0.14 0.03 -0.02 -0.04 0.93 1.03 2o69A1 LEU 143 HD23 0.05 -0.01 0.00 -0.04 0.89 0.90 2o69A1 GLU 144 H 0.04 0.38 -0.26 -0.55 8.60 8.22 2o69A1 GLU 144 HA -0.01 -0.02 0.39 -0.75 4.29 3.88 2o69A1 GLU 144 HB2 0.00 0.15 0.06 -0.04 2.09 2.26 2o69A1 GLU 144 HB3 -0.02 -0.00 -0.02 -0.04 1.99 1.92 2o69A1 GLU 144 HG2 0.03 0.24 0.09 -0.04 2.34 2.66 2o69A1 GLU 144 HG3 0.01 -0.07 -0.02 -0.04 2.34 2.22 2o69A1 GLN 145 H -0.07 0.35 -0.40 -0.55 8.47 7.79 2o69A1 GLN 145 HA -0.16 0.03 0.38 -0.75 4.36 3.86 2o69A1 GLN 145 HB2 -0.11 0.02 0.13 -0.04 2.15 2.14 2o69A1 GLN 145 HB3 -0.28 0.17 0.18 -0.04 2.02 2.05 2o69A1 GLN 145 HG2 -0.22 -0.00 -0.07 -0.04 2.40 2.07 2o69A1 GLN 145 HG3 -0.64 -0.03 -0.25 -0.04 2.39 1.43 2o69A1 GLN 145 HE21 -0.25 0.37 -0.16 -0.04 6.97 6.89 2o69A1 GLN 145 HE22 -0.35 -0.13 0.08 -0.04 7.69 7.25 2o69A1 VAL 146 H -0.19 0.50 -0.18 -0.55 8.24 7.82 2o69A1 VAL 146 HA -0.18 0.03 0.35 -0.75 4.13 3.58 2o69A1 VAL 146 HB -0.06 0.10 0.15 -0.04 2.12 2.27 2o69A1 VAL 146 HG13 -0.05 -0.00 -0.10 -0.04 0.97 0.78 2o69A1 VAL 146 HG23 -0.09 0.06 -0.02 -0.04 0.95 0.86 2o69A1 VAL 147 H -0.07 0.46 -0.11 -0.55 8.24 7.97 2o69A1 VAL 147 HA -0.04 0.00 0.37 -0.75 4.13 3.71 2o69A1 VAL 147 HB -0.03 0.12 0.13 -0.04 2.12 2.30 2o69A1 VAL 147 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.82 2o69A1 VAL 147 HG23 -0.00 0.05 -0.09 -0.04 0.95 0.87 2o69A1 ALA 148 H -0.09 0.52 -0.16 -0.55 8.40 8.13 2o69A1 ALA 148 HA -0.05 0.00 0.36 -0.75 4.34 3.90 2o69A1 ALA 148 HB3 -0.10 0.04 0.09 -0.04 1.41 1.40 2o69A1 LEU 149 H -0.20 0.54 -0.11 -0.55 8.37 8.05 2o69A1 LEU 149 HA -0.18 0.00 0.51 -0.75 4.35 3.93 2o69A1 LEU 149 HB2 -0.26 0.17 0.18 -0.04 1.64 1.68 2o69A1 LEU 149 HB3 -0.21 -0.05 -0.11 -0.04 1.64 1.22 2o69A1 LEU 149 HG -0.58 0.06 -0.00 -0.04 1.64 1.07 2o69A1 LEU 149 HD13 -1.08 -0.01 -0.09 -0.04 0.93 -0.28 2o69A1 LEU 149 HD23 -0.40 -0.03 -0.03 -0.04 0.89 0.39 2o69A1 SER 150 H -0.08 0.71 -0.14 -0.55 8.46 8.40 2o69A1 SER 150 HA -0.00 -0.01 0.22 -0.75 4.49 3.95 2o69A1 SER 150 HB2 -0.02 -0.04 0.01 -0.04 3.95 3.86 2o69A1 SER 150 HB3 -0.00 0.14 0.16 -0.04 3.93 4.19 2o69A1 LYS 151 H -0.02 0.59 -0.10 -0.55 8.42 8.33 2o69A1 LYS 151 HA 0.01 0.00 0.33 -0.75 4.32 3.91 2o69A1 LYS 151 HB2 -0.01 0.08 0.16 -0.04 1.87 2.05 2o69A1 LYS 151 HB3 -0.00 -0.03 0.03 -0.04 1.79 1.74 2o69A1 LYS 151 HG2 0.02 -0.04 0.01 -0.04 1.46 1.41 2o69A1 LYS 151 HG3 0.02 0.03 0.02 -0.04 1.46 1.50 2o69A1 LYS 151 HD2 0.01 0.02 -0.13 -0.04 1.69 1.55 2o69A1 LYS 151 HD3 0.01 -0.06 -0.03 -0.04 1.68 1.56 2o69A1 LYS 151 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.91 2o69A1 LYS 151 HE3 0.03 -0.08 -0.04 -0.04 2.99 2.86 2o69A1 MET 152 H -0.05 0.52 -0.04 -0.55 8.47 8.36 2o69A1 MET 152 HA -0.02 0.10 0.63 -0.75 4.52 4.47 2o69A1 MET 152 HB2 -0.08 -0.02 0.14 -0.04 2.15 2.15 2o69A1 MET 152 HB3 -0.05 -0.01 0.05 -0.04 2.03 1.98 2o69A1 MET 152 HG2 -0.03 0.02 0.01 -0.04 2.63 2.59 2o69A1 MET 152 HG3 -0.04 -0.01 0.07 -0.04 2.56 2.54 2o69A1 MET 152 HE3 -0.06 0.04 -0.05 -0.04 2.10 1.99 2o69A1 LYS 153 H -0.05 0.54 0.02 -0.55 8.42 8.38 2o69A1 LYS 153 HA -0.03 0.19 0.91 -0.75 4.32 4.64 2o69A1 LYS 153 HB2 -0.07 0.11 0.07 -0.04 1.87 1.93 2o69A1 LYS 153 HB3 -0.04 -0.09 0.14 -0.04 1.79 1.77 2o69A1 LYS 153 HG2 -0.08 -0.05 -0.12 -0.04 1.46 1.17 2o69A1 LYS 153 HG3 -0.09 -0.09 -0.00 -0.04 1.46 1.24 2o69A1 LYS 153 HD2 -0.03 -0.02 0.04 -0.04 1.69 1.64 2o69A1 LYS 153 HD3 -0.04 0.19 -0.15 -0.04 1.68 1.64 2o69A1 LYS 153 HE2 -0.06 -0.10 0.01 -0.04 2.99 2.80 2o69A1 LYS 153 HE3 -0.03 -0.02 0.01 -0.04 2.99 2.91 2o69A1 GLY 154 H -0.01 0.32 -0.04 -0.55 8.43 8.15 2o69A1 GLY 154 HA2 0.02 0.15 0.45 -0.51 4.01 4.11 2o69A1 GLY 154 HA3 0.01 0.04 0.47 -0.51 4.01 4.02 2o69A1 ASP 155 H 0.04 0.18 0.19 -0.55 8.40 8.27 2o69A1 ASP 155 HA 0.06 0.05 0.24 -0.75 4.63 4.22 2o69A1 ASP 155 HB2 0.07 0.02 0.14 -0.04 2.71 2.90 2o69A1 ASP 155 HB3 0.09 0.05 -0.07 -0.04 2.70 2.73 2o69A1 LYS 156 H 0.03 0.12 -0.08 -0.55 8.42 7.94 2o69A1 LYS 156 HA 0.04 0.10 0.54 -0.75 4.32 4.25 2o69A1 VAL 157 H 0.02 0.23 -0.16 -0.55 8.24 7.78 2o69A1 VAL 157 HA 0.04 0.06 0.52 -0.75 4.13 4.00 2o69A1 VAL 157 HB -0.01 0.25 -0.03 -0.04 2.12 2.29 2o69A1 VAL 157 HG13 -0.03 -0.02 -0.15 -0.04 0.97 0.72 2o69A1 VAL 157 HG23 0.01 -0.01 0.05 -0.04 0.95 0.96 2o69A1 ALA 158 H 0.02 0.37 -0.24 -0.55 8.40 8.00 2o69A1 ALA 158 HA 0.04 0.02 0.36 -0.75 4.34 4.01 2o69A1 ALA 158 HB3 -0.01 0.01 -0.06 -0.04 1.41 1.31 2o69A1 LEU 159 H 0.06 0.55 -0.13 -0.55 8.37 8.31 2o69A1 LEU 159 HA 0.07 0.02 0.45 -0.75 4.35 4.14 2o69A1 LEU 159 HB2 0.05 -0.01 0.12 -0.04 1.64 1.75 2o69A1 LEU 159 HB3 0.05 0.07 0.14 -0.04 1.64 1.86 2o69A1 LEU 159 HG 0.04 -0.01 -0.14 -0.04 1.64 1.49 2o69A1 LEU 159 HD13 0.04 0.00 -0.06 -0.04 0.93 0.87 2o69A1 LEU 159 HD23 0.04 0.00 -0.04 -0.04 0.89 0.85 2o69A1 ASN 160 H 0.08 0.50 -0.23 -0.55 8.53 8.34 2o69A1 ASN 160 HA 0.05 0.02 0.44 -0.75 4.76 4.52 2o69A1 ASN 160 HB2 0.05 0.08 0.15 -0.04 2.88 3.12 2o69A1 ASN 160 HB3 0.09 0.07 0.17 -0.04 2.79 3.07 2o69A1 ASN 160 HD21 0.06 -0.01 -0.05 -0.04 7.03 6.99 2o69A1 ASN 160 HD22 0.09 0.00 -0.08 -0.04 7.74 7.71 2o69A1 TRP 161 H 0.25 0.51 -0.16 -0.55 7.97 8.03 2o69A1 TRP 161 HA -0.02 0.09 0.53 -0.75 4.62 4.47 2o69A1 TRP 161 HB2 -0.04 0.05 0.13 -0.04 3.23 3.34 2o69A1 TRP 161 HB3 -0.05 0.11 0.14 -0.04 3.23 3.39 2o69A1 TRP 161 HD1 -0.02 0.11 0.08 -0.04 7.22 7.34 2o69A1 TRP 161 HE1 -0.01 0.33 -0.11 -0.04 10.20 10.37 2o69A1 TRP 161 HE3 -0.12 0.09 -0.11 -0.04 7.59 7.41 2o69A1 TRP 161 HZ2 -0.06 -0.01 -0.09 -0.04 7.44 7.24 2o69A1 TRP 161 HZ3 -0.66 -0.03 -0.12 -0.04 7.13 6.28 2o69A1 TRP 161 HH2 -0.31 -0.06 -0.08 -0.04 7.19 6.70 2o69A1 LEU 162 H 0.20 0.53 -0.12 -0.55 8.37 8.43 2o69A1 LEU 162 HA -0.23 -0.06 0.35 -0.75 4.35 3.66 2o69A1 LEU 162 HB2 0.08 0.15 0.14 -0.04 1.64 1.97 2o69A1 LEU 162 HB3 0.05 -0.02 0.00 -0.04 1.64 1.64 2o69A1 LEU 162 HG 0.32 0.07 0.01 -0.04 1.64 2.00 2o69A1 LEU 162 HD13 0.11 -0.02 -0.24 -0.04 0.93 0.74 2o69A1 LEU 162 HD23 0.28 -0.03 -0.04 -0.04 0.89 1.06 2o69A1 LYS 163 H 0.00 0.59 -0.08 -0.55 8.42 8.38 2o69A1 LYS 163 HA -0.04 0.11 0.52 -0.75 4.32 4.16 2o69A1 LYS 163 HB2 0.01 0.06 0.16 -0.04 1.87 2.06 2o69A1 LYS 163 HB3 -0.01 -0.04 0.02 -0.04 1.79 1.72 2o69A1 LYS 163 HG2 0.00 0.04 0.10 -0.04 1.46 1.57 2o69A1 LYS 163 HG3 0.02 0.17 0.08 -0.04 1.46 1.69 2o69A1 LYS 163 HD2 0.02 -0.07 -0.08 -0.04 1.69 1.52 2o69A1 LYS 163 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 2o69A1 LYS 163 HE2 0.02 0.04 -0.02 -0.04 2.99 2.99 2o69A1 LYS 163 HE3 0.02 -0.07 -0.02 -0.04 2.99 2.88 2o69A1 GLY 164 H -0.06 0.59 -0.14 -0.55 8.43 8.27 2o69A1 GLY 164 HA2 -0.06 -0.04 0.46 -0.51 4.01 3.86 2o69A1 GLY 164 HA3 -0.09 0.33 0.41 -0.51 4.01 4.15 2o69A1 LEU 165 H -0.39 0.46 -0.18 -0.55 8.37 7.71 2o69A1 LEU 165 HA -0.45 0.02 0.45 -0.75 4.35 3.61 2o69A1 LEU 165 HB2 -0.68 0.13 0.12 -0.04 1.64 1.17 2o69A1 LEU 165 HB3 -1.56 -0.11 -0.08 -0.04 1.64 -0.14 2o69A1 LEU 165 HG -1.18 0.25 -0.00 -0.04 1.64 0.67 2o69A1 LEU 165 HD13 -1.37 -0.05 -0.11 -0.04 0.93 -0.65 2o69A1 LEU 165 HD23 -0.62 -0.01 -0.14 -0.04 0.89 0.07 2o69A1 LYS 166 H -0.22 0.60 -0.06 -0.55 8.42 8.18 2o69A1 LYS 166 HA -0.01 -0.04 0.43 -0.75 4.32 3.94 2o69A1 LYS 166 HB2 -0.05 -0.06 0.06 -0.04 1.87 1.78 2o69A1 LYS 166 HB3 -0.06 0.14 0.21 -0.04 1.79 2.04 2o69A1 LYS 166 HG2 -0.01 0.14 0.02 -0.04 1.46 1.56 2o69A1 LYS 166 HG3 -0.02 -0.02 -0.18 -0.04 1.46 1.20 2o69A1 LYS 166 HD2 0.02 -0.02 0.08 -0.04 1.69 1.73 2o69A1 LYS 166 HD3 0.01 -0.06 -0.07 -0.04 1.68 1.52 2o69A1 LYS 166 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.91 2o69A1 LYS 166 HE3 -0.01 -0.09 0.03 -0.04 2.99 2.89 2o69A1 GLU 167 H -0.07 0.47 -0.20 -0.55 8.60 8.25 2o69A1 GLU 167 HA -0.01 -0.01 0.40 -0.75 4.29 3.92 2o69A1 GLU 167 HB2 -0.02 0.01 0.09 -0.04 2.09 2.14 2o69A1 GLU 167 HB3 -0.03 0.05 0.10 -0.04 1.99 2.08 2o69A1 GLU 167 HG2 -0.00 -0.00 0.01 -0.04 2.34 2.31 2o69A1 GLU 167 HG3 -0.01 -0.06 0.02 -0.04 2.34 2.26 2o69A1 ASN 168 H -0.06 0.40 -0.21 -0.55 8.53 8.12 2o69A1 ASN 168 HA 0.03 0.10 0.66 -0.75 4.76 4.79 2o69A1 ASN 168 HB2 0.00 0.15 -0.09 -0.04 2.88 2.91 2o69A1 ASN 168 HB3 0.09 -0.05 -0.26 -0.04 2.79 2.52 2o69A1 ASN 168 HD21 0.01 -0.10 -0.23 -0.04 7.03 6.67 2o69A1 ASN 168 HD22 -0.01 0.26 -0.26 -0.04 7.74 7.69 2o69A1 GLY 169 H -0.05 0.60 0.14 -0.55 8.43 8.57 2o69A1 GLY 169 HA2 0.13 0.12 0.69 -0.51 4.01 4.43 2o69A1 GLY 169 HA3 0.09 -0.10 0.32 -0.51 4.01 3.80 2o69A1 LYS 170 H 0.17 0.65 0.36 -0.55 8.42 9.05 2o69A1 LYS 170 HA -0.11 0.14 0.79 -0.75 4.32 4.38 2o69A1 LYS 170 HB2 0.11 -0.04 0.04 -0.04 1.87 1.93 2o69A1 LYS 170 HB3 -0.31 -0.03 -0.02 -0.04 1.79 1.39 2o69A1 LYS 170 HG2 -0.02 0.02 0.00 -0.04 1.46 1.42 2o69A1 LYS 170 HG3 0.06 -0.02 -0.16 -0.04 1.46 1.29 2o69A1 LYS 170 HD2 0.12 0.11 -0.21 -0.04 1.69 1.67 2o69A1 LYS 170 HD3 0.17 -0.12 -0.12 -0.04 1.68 1.57 2o69A1 LYS 170 HE2 0.06 0.13 0.10 -0.04 2.99 3.23 2o69A1 LYS 170 HE3 0.08 0.14 0.05 -0.04 2.99 3.22 2o69A1 LEU 171 H -0.35 0.23 0.10 -0.55 8.37 7.80 2o69A1 LEU 171 HA -1.08 0.13 0.72 -0.75 4.35 3.36 2o69A1 LEU 171 HB2 -0.61 0.06 0.02 -0.04 1.64 1.07 2o69A1 LEU 171 HB3 -0.34 0.04 0.16 -0.04 1.64 1.46 2o69A1 LEU 171 HG -0.36 -0.02 -0.30 -0.04 1.64 0.92 2o69A1 LEU 171 HD13 -0.53 0.01 0.03 -0.04 0.93 0.41 2o69A1 LEU 171 HD23 -0.18 0.01 -0.03 -0.04 0.89 0.65 2o69A1 TYR 172 H -0.34 0.68 0.45 -0.55 8.29 8.54 2o69A1 TYR 172 HA -0.15 0.20 0.81 -0.75 4.56 4.67 2o69A1 TYR 172 HB2 -0.15 -0.01 -0.00 -0.04 3.06 2.85 2o69A1 TYR 172 HB3 -0.11 -0.19 0.01 -0.04 2.98 2.65 2o69A1 TYR 172 HD2 -0.09 -0.07 -0.02 -0.04 7.15 6.93 2o69A1 TYR 172 HE2 -0.03 0.03 -0.06 -0.04 6.85 6.76 2o69A1 ALA 173 H 0.03 0.17 0.14 -0.55 8.40 8.20 2o69A1 ALA 173 HA -0.08 0.11 0.33 -0.75 4.34 3.95 2o69A1 ALA 173 HB3 -0.03 0.02 0.07 -0.04 1.41 1.44 2o69A1 LYS 174 H -0.02 0.14 -0.03 -0.55 8.42 7.95 2o69A1 LYS 174 HA -0.07 0.16 0.64 -0.75 4.32 4.31 2o69A1 ASN 175 H -0.22 0.17 0.16 -0.55 8.53 8.09 2o69A1 ASN 175 HA -0.26 0.17 0.44 -0.75 4.76 4.36 2o69A1 ASN 175 HB2 -1.11 -0.02 0.18 -0.04 2.88 1.89 2o69A1 ASN 175 HB3 -1.22 0.05 0.03 -0.04 2.79 1.60 2o69A1 ASN 175 HD21 0.02 0.01 0.05 -0.04 7.03 7.07 2o69A1 ASN 175 HD22 -0.04 0.01 0.10 -0.04 7.74 7.76 2o69A1 SER 176 H -0.35 0.09 -0.09 -0.55 8.46 7.56 2o69A1 SER 176 HA -0.15 0.13 0.49 -0.75 4.49 4.22 2o69A1 SER 176 HB2 0.02 0.13 0.03 -0.04 3.95 4.09 2o69A1 SER 176 HB3 0.10 0.00 0.08 -0.04 3.93 4.07 2o69A1 VAL 177 H -0.12 0.03 -0.33 -0.55 8.24 7.27 2o69A1 VAL 177 HA -0.09 0.14 0.45 -0.75 4.13 3.89 2o69A1 VAL 177 HB -0.04 -0.07 0.14 -0.04 2.12 2.12 2o69A1 VAL 177 HG13 0.03 0.03 -0.03 -0.04 0.97 0.96 2o69A1 VAL 177 HG23 -0.02 0.01 0.00 -0.04 0.95 0.90 2o69A1 ALA 178 H -0.18 0.34 -0.14 -0.55 8.40 7.86 2o69A1 ALA 178 HA -0.84 0.10 0.33 -0.75 4.34 3.18 2o69A1 ALA 178 HB3 -0.14 0.03 -0.02 -0.04 1.41 1.24 2o69A1 LEU 179 H -0.17 0.37 -0.25 -0.55 8.37 7.78 2o69A1 LEU 179 HA -0.06 0.05 0.31 -0.75 4.35 3.91 2o69A1 LEU 179 HB2 -0.03 -0.05 0.03 -0.04 1.64 1.55 2o69A1 LEU 179 HB3 -0.05 0.12 0.08 -0.04 1.64 1.75 2o69A1 LEU 179 HG 0.01 0.05 -0.24 -0.04 1.64 1.43 2o69A1 LEU 179 HD13 0.18 -0.01 -0.05 -0.04 0.93 1.02 2o69A1 LEU 179 HD23 0.07 -0.03 -0.19 -0.04 0.89 0.69 2o69A1 GLN 180 H -0.11 0.38 -0.25 -0.55 8.47 7.94 2o69A1 GLN 180 HA -0.05 0.04 0.43 -0.75 4.36 4.03 2o69A1 GLN 180 HB2 -0.08 0.02 0.20 -0.04 2.15 2.24 2o69A1 GLN 180 HB3 -0.06 0.02 -0.03 -0.04 2.02 1.91 2o69A1 GLN 180 HG2 -0.03 -0.04 0.00 -0.04 2.40 2.30 2o69A1 GLN 180 HG3 -0.03 0.03 0.03 -0.04 2.39 2.38 2o69A1 GLN 180 HE21 -0.03 -0.01 -0.04 -0.04 6.97 6.86 2o69A1 GLN 180 HE22 -0.03 0.04 -0.01 -0.04 7.69 7.65 2o69A1 ALA 181 H -0.25 0.58 -0.15 -0.55 8.40 8.03 2o69A1 ALA 181 HA -0.08 0.01 0.38 -0.75 4.34 3.90 2o69A1 ALA 181 HB3 -0.43 0.03 0.03 -0.04 1.41 1.00 2o69A1 VAL 182 H -0.12 0.33 -0.38 -0.55 8.24 7.51 2o69A1 VAL 182 HA 0.00 0.45 0.50 -0.75 4.13 4.33 2o69A1 VAL 182 HB -0.01 0.02 0.02 -0.04 2.12 2.11 2o69A1 VAL 182 HG13 0.04 -0.01 -0.36 -0.04 0.97 0.60 2o69A1 VAL 182 HG23 -0.02 0.03 -0.32 -0.04 0.95 0.60 2o69A1 GLU 183 H -0.02 0.48 -0.08 -0.55 8.60 8.43 2o69A1 GLU 183 HA 0.03 -0.05 0.42 -0.75 4.29 3.93 2o69A1 GLU 183 HB2 -0.01 0.07 0.21 -0.04 2.09 2.32 2o69A1 GLU 183 HB3 -0.00 0.01 0.01 -0.04 1.99 1.97 2o69A1 GLU 183 HG2 0.03 0.01 0.03 -0.04 2.34 2.36 2o69A1 GLU 183 HG3 -0.01 -0.01 0.02 -0.04 2.34 2.29 2o69A1 ASN 184 H -0.02 0.41 -0.27 -0.55 8.53 8.11 2o69A1 ASN 184 HA 0.00 0.08 0.42 -0.75 4.76 4.51 2o69A1 ASN 184 HB2 -0.01 -0.02 0.09 -0.04 2.88 2.90 2o69A1 ASN 184 HB3 0.00 -0.03 0.08 -0.04 2.79 2.80 2o69A1 ASN 184 HD21 -0.02 -0.08 -0.07 -0.04 7.03 6.83 2o69A1 ASN 184 HD22 -0.01 -0.04 -0.10 -0.04 7.74 7.54 2o69A1 GLY 185 H 0.01 0.33 -0.54 -0.55 8.43 7.69 2o69A1 GLY 185 HA2 0.03 0.04 0.23 -0.51 4.01 3.80 2o69A1 GLY 185 HA3 0.02 0.08 0.60 -0.51 4.01 4.21 2o69A1 GLU 186 H 0.02 0.30 -0.08 -0.55 8.60 8.29 2o69A1 GLU 186 HA 0.05 0.08 0.46 -0.75 4.29 4.13 2o69A1 GLU 186 HB2 0.04 -0.05 0.10 -0.04 2.09 2.14 2o69A1 GLU 186 HB3 0.11 -0.03 -0.02 -0.04 1.99 2.01 2o69A1 GLU 186 HG2 0.04 0.03 -0.02 -0.04 2.34 2.34 2o69A1 GLU 186 HG3 0.02 0.03 -0.07 -0.04 2.34 2.28 2o69A1 VAL 187 H 0.04 0.35 -0.13 -0.55 8.24 7.96 2o69A1 VAL 187 HA 0.10 0.29 0.53 -0.75 4.13 4.29 2o69A1 VAL 187 HB 0.21 0.01 -0.25 -0.04 2.12 2.05 2o69A1 VAL 187 HG13 0.07 -0.07 -0.24 -0.04 0.97 0.69 2o69A1 VAL 187 HG23 0.18 0.08 -0.26 -0.04 0.95 0.91 2o69A1 PRO 188 HA 0.11 0.06 0.64 -0.51 4.44 4.74 2o69A1 PRO 188 HB2 0.18 -0.01 0.02 -0.04 2.28 2.42 2o69A1 PRO 188 HB3 0.10 0.01 0.10 -0.04 2.02 2.18 2o69A1 PRO 188 HG2 0.18 0.12 0.13 -0.04 2.03 2.42 2o69A1 PRO 188 HG3 0.07 0.05 0.07 -0.04 2.03 2.18 2o69A1 PRO 188 HD2 0.16 0.13 0.30 -0.04 3.68 4.23 2o69A1 PRO 188 HD3 0.10 0.22 0.18 -0.04 3.65 4.10 2o69A1 ALA 189 H 0.17 0.36 -0.05 -0.55 8.40 8.33 2o69A1 ALA 189 HA 0.11 0.16 0.70 -0.75 4.34 4.55 2o69A1 ALA 189 HB3 0.17 0.03 0.03 -0.04 1.41 1.60 2o69A1 ALA 190 H -0.03 0.62 0.35 -0.55 8.40 8.79 2o69A1 ALA 190 HA 0.01 0.14 0.67 -0.75 4.34 4.41 2o69A1 ALA 190 HB3 -0.02 -0.00 -0.09 -0.04 1.41 1.25 2o69A1 LEU 191 H 0.02 0.73 0.32 -0.55 8.37 8.89 2o69A1 LEU 191 HA -0.09 0.27 1.08 -0.75 4.35 4.86 2o69A1 LEU 191 HB2 0.14 -0.13 0.23 -0.04 1.64 1.84 2o69A1 LEU 191 HB3 0.07 0.00 0.09 -0.04 1.64 1.77 2o69A1 LEU 191 HG -0.04 0.12 0.06 -0.04 1.64 1.74 2o69A1 LEU 191 HD13 0.20 -0.02 -0.03 -0.04 0.93 1.04 2o69A1 LEU 191 HD23 -0.30 0.01 -0.06 -0.04 0.89 0.50 2o69A1 ILE 192 H -0.05 0.58 0.33 -0.55 8.25 8.55 2o69A1 ILE 192 HA -0.02 0.07 0.84 -0.75 4.18 4.32 2o69A1 ILE 192 HB -0.09 -0.17 0.13 -0.04 1.89 1.72 2o69A1 ILE 192 HG12 -0.06 0.04 -0.17 -0.04 1.49 1.26 2o69A1 ILE 192 HG13 -0.03 -0.00 -0.38 -0.04 1.21 0.76 2o69A1 ILE 192 HG23 -0.09 -0.01 -0.37 -0.04 0.93 0.43 2o69A1 ILE 192 HD13 0.05 0.00 -0.11 -0.04 0.88 0.79 2o69A1 LEU 193 H 0.02 0.06 0.18 -0.55 8.37 8.08 2o69A1 LEU 193 HA 0.04 0.37 0.94 -0.75 4.35 4.95 2o69A1 LEU 193 HB2 0.08 -0.09 0.15 -0.04 1.64 1.74 2o69A1 LEU 193 HB3 -0.29 -0.09 -0.02 -0.04 1.64 1.19 2o69A1 LEU 193 HG 0.11 0.11 -0.07 -0.04 1.64 1.75 2o69A1 LEU 193 HD13 0.08 0.02 -0.14 -0.04 0.93 0.85 2o69A1 LEU 193 HD23 0.31 -0.02 0.00 -0.04 0.89 1.14 2o69A1 ASN 194 H 0.13 0.68 0.29 -0.55 8.53 9.08 2o69A1 ASN 194 HA 0.20 0.08 0.21 -0.75 4.76 4.50 2o69A1 ASN 194 HB2 0.62 0.07 0.06 -0.04 2.88 3.59 2o69A1 ASN 194 HB3 0.40 0.16 0.15 -0.04 2.79 3.45 2o69A1 ASN 194 HD21 -0.07 0.46 0.17 -0.04 7.03 7.55 2o69A1 ASN 194 HD22 0.10 -0.03 -0.10 -0.04 7.74 7.68 2o69A1 TYR 195 H -0.01 0.05 -0.13 -0.55 8.29 7.64 2o69A1 TYR 195 HA 0.08 0.15 0.21 -0.75 4.56 4.24 2o69A1 TYR 195 HB2 -0.27 -0.04 0.08 -0.04 3.06 2.78 2o69A1 TYR 195 HB3 -0.17 0.24 0.05 -0.04 2.98 3.06 2o69A1 TYR 195 HD2 -0.29 0.05 -0.10 -0.04 7.15 6.76 2o69A1 TYR 195 HE2 -0.44 0.01 -0.02 -0.04 6.85 6.35 2o69A1 TYR 196 H -0.41 0.19 -0.22 -0.55 8.29 7.30 2o69A1 TYR 196 HA 0.00 0.04 0.37 -0.75 4.56 4.21 2o69A1 TYR 196 HB2 -0.09 0.12 0.05 -0.04 3.06 3.10 2o69A1 TYR 196 HB3 -0.05 0.03 -0.03 -0.04 2.98 2.90 2o69A1 TYR 196 HD2 -0.22 0.14 0.05 -0.04 7.15 7.08 2o69A1 TYR 196 HE2 -0.14 0.01 0.04 -0.04 6.85 6.71 2o69A1 TRP 197 H 0.28 0.31 -0.21 -0.55 7.97 7.81 2o69A1 TRP 197 HA -0.03 0.07 0.41 -0.75 4.62 4.31 2o69A1 TRP 197 HB2 -0.09 -0.05 -0.01 -0.04 3.23 3.04 2o69A1 TRP 197 HB3 -0.16 0.11 0.06 -0.04 3.23 3.20 2o69A1 TRP 197 HD1 -0.11 -0.03 -0.11 -0.04 7.22 6.93 2o69A1 TRP 197 HE1 -0.14 0.14 -0.30 -0.04 10.20 9.85 2o69A1 TRP 197 HE3 -1.13 0.01 -0.28 -0.04 7.59 6.15 2o69A1 TRP 197 HZ2 -0.16 0.24 0.01 -0.04 7.44 7.50 2o69A1 TRP 197 HZ3 -0.59 0.08 -0.06 -0.04 7.13 6.52 2o69A1 TRP 197 HH2 -0.12 0.04 0.00 -0.04 7.19 7.07 2o69A1 TYR 198 H 0.39 0.39 -0.01 -0.55 8.29 8.50 2o69A1 TYR 198 HA -0.02 0.09 0.38 -0.75 4.56 4.26 2o69A1 TYR 198 HB2 0.08 -0.05 0.08 -0.04 3.06 3.13 2o69A1 TYR 198 HB3 0.21 0.04 0.01 -0.04 2.98 3.21 2o69A1 TYR 198 HD2 0.29 0.14 -0.10 -0.04 7.15 7.44 2o69A1 TYR 198 HE2 0.38 0.06 -0.08 -0.04 6.85 7.17 2o69A1 ASN 199 H 0.11 0.46 -0.26 -0.55 8.53 8.29 2o69A1 ASN 199 HA 0.23 0.06 0.41 -0.75 4.76 4.71 2o69A1 ASN 199 HB2 0.04 0.13 0.14 -0.04 2.88 3.16 2o69A1 ASN 199 HB3 0.05 -0.02 -0.06 -0.04 2.79 2.73 2o69A1 ASN 199 HD21 -0.06 -0.11 -0.03 -0.04 7.03 6.79 2o69A1 ASN 199 HD22 0.01 -0.04 -0.04 -0.04 7.74 7.63 2o69A1 LEU 200 H -0.13 0.37 -0.14 -0.55 8.37 7.93 2o69A1 LEU 200 HA -0.11 0.04 0.49 -0.75 4.35 4.02 2o69A1 LEU 200 HB2 -0.13 -0.01 0.14 -0.04 1.64 1.60 2o69A1 LEU 200 HB3 -0.44 0.11 0.15 -0.04 1.64 1.42 2o69A1 LEU 200 HG -0.21 0.03 -0.16 -0.04 1.64 1.26 2o69A1 LEU 200 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.82 2o69A1 LEU 200 HD23 -0.13 -0.01 -0.05 -0.04 0.89 0.66 2o69A1 ALA 201 H -0.63 0.54 -0.13 -0.55 8.40 7.64 2o69A1 ALA 201 HA -0.42 0.03 0.22 -0.75 4.34 3.41 2o69A1 ALA 201 HB3 -1.04 0.01 0.05 -0.04 1.41 0.39 2o69A1 LYS 202 H -0.09 0.62 -0.09 -0.55 8.42 8.31 2o69A1 LYS 202 HA -0.08 0.03 0.50 -0.75 4.32 4.02 2o69A1 GLU 203 H -0.07 0.38 -0.28 -0.55 8.60 8.09 2o69A1 GLU 203 HA -0.05 0.03 0.47 -0.75 4.29 3.99 2o69A1 GLU 203 HB2 -0.02 -0.10 0.10 -0.04 2.09 2.03 2o69A1 GLU 203 HB3 -0.05 0.24 0.24 -0.04 1.99 2.38 2o69A1 GLU 203 HG2 -0.06 0.08 -0.11 -0.04 2.34 2.21 2o69A1 GLU 203 HG3 -0.04 -0.02 -0.11 -0.04 2.34 2.13 2o69A1 LYS 204 H -0.11 0.15 -0.25 -0.55 8.42 7.65 2o69A1 LYS 204 HA -0.05 0.13 0.68 -0.75 4.32 4.32 2o69A1 LYS 204 HB2 -0.13 0.11 -0.02 -0.04 1.87 1.79 2o69A1 LYS 204 HB3 -0.08 0.03 -0.14 -0.04 1.79 1.56 2o69A1 LYS 204 HG2 -0.08 -0.04 -0.06 -0.04 1.46 1.23 2o69A1 LYS 204 HG3 -0.06 -0.01 -0.06 -0.04 1.46 1.30 2o69A1 LYS 204 HD2 -0.04 0.00 -0.02 -0.04 1.69 1.59 2o69A1 LYS 204 HD3 -0.05 0.05 -0.42 -0.04 1.68 1.23 2o69A1 LYS 204 HE2 -0.04 -0.05 -0.05 -0.04 2.99 2.81 2o69A1 LYS 204 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.87 2o69A1 GLY 205 H -0.10 0.47 0.03 -0.55 8.43 8.28 2o69A1 GLY 205 HA2 -0.05 0.03 0.45 -0.51 4.01 3.93 2o69A1 GLY 205 HA3 -0.04 0.12 0.77 -0.51 4.01 4.35 2o69A1 VAL 206 H -0.05 0.19 0.15 -0.55 8.24 7.98 2o69A1 VAL 206 HA -0.07 0.05 0.39 -0.75 4.13 3.75 2o69A1 VAL 206 HB 0.08 -0.00 0.13 -0.04 2.12 2.28 2o69A1 VAL 206 HG13 0.06 0.00 0.08 -0.04 0.97 1.06 2o69A1 VAL 206 HG23 0.17 0.03 -0.05 -0.04 0.95 1.06 2o69A1 GLU 207 H 0.01 0.03 -0.24 -0.55 8.60 7.86 2o69A1 GLU 207 HA 0.05 0.11 0.36 -0.75 4.29 4.05 2o69A1 GLU 207 HB2 0.04 0.03 0.07 -0.04 2.09 2.18 2o69A1 GLU 207 HB3 0.03 -0.04 0.08 -0.04 1.99 2.02 2o69A1 GLU 207 HG2 0.01 -0.09 0.00 -0.04 2.34 2.22 2o69A1 GLU 207 HG3 0.01 0.10 -0.13 -0.04 2.34 2.28 2o69A1 ASN 208 H -0.00 0.35 -0.40 -0.55 8.53 7.93 2o69A1 ASN 208 HA 0.02 0.11 0.76 -0.75 4.76 4.89 2o69A1 ASN 208 HB2 -0.03 0.20 -0.04 -0.04 2.88 2.97 2o69A1 ASN 208 HB3 -0.01 -0.09 0.14 -0.04 2.79 2.80 2o69A1 ASN 208 HD21 -0.01 -0.13 0.05 -0.04 7.03 6.90 2o69A1 ASN 208 HD22 -0.02 0.57 0.25 -0.04 7.74 8.50 2o69A1 LEU 209 H 0.02 0.56 -0.23 -0.55 8.37 8.18 2o69A1 LEU 209 HA 0.02 0.07 0.87 -0.75 4.35 4.55 2o69A1 LEU 209 HB2 0.07 0.21 0.12 -0.04 1.64 1.99 2o69A1 LEU 209 HB3 0.08 -0.23 0.05 -0.04 1.64 1.50 2o69A1 LEU 209 HG -0.13 0.11 -0.23 -0.04 1.64 1.35 2o69A1 LEU 209 HD13 -0.52 -0.04 -0.17 -0.04 0.93 0.16 2o69A1 LEU 209 HD23 -0.09 0.03 -0.19 -0.04 0.89 0.59 2o69A1 LYS 210 H 0.07 0.14 0.16 -0.55 8.42 8.24 2o69A1 LYS 210 HA 0.20 0.13 0.62 -0.75 4.32 4.52 2o69A1 LYS 210 HB2 0.07 -0.01 0.11 -0.04 1.87 2.01 2o69A1 LYS 210 HB3 0.09 -0.12 0.09 -0.04 1.79 1.80 2o69A1 LYS 210 HG2 0.05 -0.01 0.05 -0.04 1.46 1.52 2o69A1 LYS 210 HG3 0.04 0.21 0.13 -0.04 1.46 1.80 2o69A1 LYS 210 HD2 0.03 -0.05 0.03 -0.04 1.69 1.66 2o69A1 LYS 210 HD3 0.02 0.01 0.01 -0.04 1.68 1.68 2o69A1 LYS 210 HE2 0.02 -0.12 -0.01 -0.04 2.99 2.85 2o69A1 LYS 210 HE3 0.02 0.01 -0.01 -0.04 2.99 2.96 2o69A1 SER 211 H 0.14 -0.02 -0.07 -0.55 8.46 7.96 2o69A1 SER 211 HA -0.04 0.30 0.66 -0.75 4.49 4.66 2o69A1 SER 211 HB2 0.02 0.01 -0.05 -0.04 3.95 3.89 2o69A1 SER 211 HB3 0.09 -0.02 -0.15 -0.04 3.93 3.81 2o69A1 ARG 212 H -0.55 0.63 0.44 -0.55 8.46 8.43 2o69A1 ARG 212 HA -0.59 0.11 0.54 -0.75 4.34 3.65 2o69A1 ARG 212 HB2 -1.10 0.02 0.04 -0.04 1.90 0.81 2o69A1 ARG 212 HB3 -0.42 -0.02 0.13 -0.04 1.80 1.46 2o69A1 ARG 212 HG2 -0.66 0.08 -0.22 -0.04 1.67 0.84 2o69A1 ARG 212 HG3 -0.38 -0.03 0.02 -0.04 1.67 1.24 2o69A1 ARG 212 HD2 -0.17 -0.09 0.09 -0.04 3.22 3.01 2o69A1 ARG 212 HD3 -0.09 0.14 0.21 -0.04 3.22 3.44 2o69A1 LEU 213 H -0.62 0.22 0.17 -0.55 8.37 7.60 2o69A1 LEU 213 HA -0.43 0.21 0.90 -0.75 4.35 4.28 2o69A1 LEU 213 HB2 -0.48 0.02 0.08 -0.04 1.64 1.22 2o69A1 LEU 213 HB3 -0.63 -0.00 -0.07 -0.04 1.64 0.89 2o69A1 LEU 213 HG -2.27 0.00 -0.17 -0.04 1.64 -0.84 2o69A1 LEU 213 HD13 -0.29 -0.00 -0.06 -0.04 0.93 0.53 2o69A1 LEU 213 HD23 -0.55 -0.00 -0.18 -0.04 0.89 0.12 2o69A1 TYR 214 H -0.00 0.81 0.33 -0.55 8.29 8.87 2o69A1 TYR 214 HA 0.06 0.14 0.71 -0.75 4.56 4.72 2o69A1 TYR 214 HB2 -0.01 0.02 -0.00 -0.04 3.06 3.02 2o69A1 TYR 214 HB3 -0.04 0.01 0.15 -0.04 2.98 3.07 2o69A1 TYR 214 HD2 0.01 -0.08 -0.05 -0.04 7.15 6.98 2o69A1 TYR 214 HE2 0.09 0.00 -0.11 -0.04 6.85 6.79 2o69A1 PHE 215 H -0.03 0.20 0.02 -0.55 8.34 7.98 2o69A1 PHE 215 HA -0.24 0.07 0.84 -0.75 4.62 4.54 2o69A1 PHE 215 HB2 -0.18 0.04 0.08 -0.04 3.15 3.05 2o69A1 PHE 215 HB3 -0.18 0.05 0.01 -0.04 3.06 2.91 2o69A1 PHE 215 HD2 -0.08 0.07 -0.01 -0.04 7.28 7.22 2o69A1 PHE 215 HE2 0.07 -0.02 -0.07 -0.04 7.38 7.33 2o69A1 PHE 215 HZ 0.32 -0.05 -0.05 -0.04 7.32 7.50 2o69A1 VAL 216 H -0.16 0.15 0.06 -0.55 8.24 7.74 2o69A1 VAL 216 HA -0.22 0.16 0.34 -0.75 4.13 3.65 2o69A1 VAL 216 HB -0.12 -0.07 -0.14 -0.04 2.12 1.75 2o69A1 VAL 216 HG13 0.03 -0.02 -0.22 -0.04 0.97 0.72 2o69A1 VAL 216 HG23 0.04 -0.02 -0.15 -0.04 0.95 0.77 2o69A1 ARG 217 H -0.10 -0.02 -0.01 -0.55 8.46 7.78 2o69A1 ARG 217 HA -0.11 0.36 0.31 -0.75 4.34 4.15 2o69A1 ARG 217 HB2 0.11 0.25 -0.10 -0.04 1.90 2.12 2o69A1 ARG 217 HB3 0.00 -0.16 0.10 -0.04 1.80 1.70 2o69A1 ARG 217 HG2 -0.06 0.07 -0.09 -0.04 1.67 1.54 2o69A1 ARG 217 HG3 -0.03 0.02 -0.62 -0.04 1.67 0.99 2o69A1 ARG 217 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.09 2o69A1 ARG 217 HD3 -0.06 0.24 0.01 -0.04 3.22 3.37 2o69A1 HIS 218 H 0.04 0.14 0.14 -0.55 8.41 8.19 2o69A1 HIS 218 HA -0.04 0.01 0.35 -0.75 4.63 4.20 2o69A1 HIS 218 HB2 -0.02 -0.03 0.20 -0.04 3.26 3.38 2o69A1 HIS 218 HB3 -0.02 -0.00 0.12 -0.04 3.20 3.25 2o69A1 HIS 218 HD2 -0.01 -0.08 0.06 -0.04 6.97 6.89 2o69A1 HIS 218 HE1 0.04 0.03 0.06 -0.04 7.75 7.84 2o69A1 GLN 219 H -0.12 0.43 -0.24 -0.55 8.47 8.00 2o69A1 GLN 219 HA -0.10 0.14 0.12 -0.75 4.36 3.77 2o69A1 GLN 219 HB2 -0.03 0.10 -0.17 -0.04 2.15 2.01 2o69A1 GLN 219 HB3 -0.04 -0.13 0.11 -0.04 2.02 1.92 2o69A1 GLN 219 HG2 -0.05 0.24 -0.37 -0.04 2.40 2.18 2o69A1 GLN 219 HG3 -0.03 -0.10 -0.25 -0.04 2.39 1.98 2o69A1 GLN 219 HE21 -0.01 -0.08 -0.02 -0.04 6.97 6.82 2o69A1 GLN 219 HE22 -0.02 0.29 -0.07 -0.04 7.69 7.85 2o69A1 ASP 220 H -0.36 0.50 -0.37 -0.55 8.40 7.63 2o69A1 ASP 220 HA -0.14 0.12 0.48 -0.75 4.63 4.34 2o69A1 ASP 220 HB2 -0.47 0.32 0.09 -0.04 2.71 2.60 2o69A1 ASP 220 HB3 -0.25 -0.14 -0.01 -0.04 2.70 2.26 2o69A1 PRO 221 HA -0.14 0.14 0.50 -0.51 4.44 4.44 2o69A1 PRO 221 HB2 -0.30 -0.05 0.00 -0.04 2.28 1.89 2o69A1 PRO 221 HB3 -0.23 0.03 0.02 -0.04 2.02 1.80 2o69A1 PRO 221 HG2 -0.19 0.01 0.07 -0.04 2.03 1.89 2o69A1 PRO 221 HG3 -0.14 0.12 0.06 -0.04 2.03 2.03 2o69A1 PRO 221 HD2 -0.13 -0.01 0.24 -0.04 3.68 3.74 2o69A1 PRO 221 HD3 -0.10 0.29 0.20 -0.04 3.65 4.00 2o69A1 GLY 222 H -0.15 0.05 -0.26 -0.55 8.43 7.52 2o69A1 GLY 222 HA2 -0.13 0.12 0.47 -0.51 4.01 3.95 2o69A1 GLY 222 HA3 -0.09 -0.03 0.25 -0.51 4.01 3.63 2o69A1 ALA 223 H -0.13 0.46 -0.54 -0.55 8.40 7.65 2o69A1 ALA 223 HA -0.06 0.15 0.80 -0.75 4.34 4.48 2o69A1 ALA 223 HB3 -0.12 0.04 0.04 -0.04 1.41 1.32 2o69A1 LEU 224 H -0.09 0.27 -0.26 -0.55 8.37 7.74 2o69A1 LEU 224 HA -0.05 0.05 0.46 -0.75 4.35 4.06 2o69A1 LEU 224 HB2 -0.09 0.25 0.20 -0.04 1.64 1.96 2o69A1 LEU 224 HB3 -0.07 -0.13 0.10 -0.04 1.64 1.50 2o69A1 LEU 224 HG -0.05 -0.05 -0.38 -0.04 1.64 1.11 2o69A1 LEU 224 HD13 -0.02 0.00 0.00 -0.04 0.93 0.87 2o69A1 LEU 224 HD23 -0.07 -0.03 -0.15 -0.04 0.89 0.60 2o69A1 VAL 225 H -0.05 0.23 0.27 -0.55 8.24 8.14 2o69A1 VAL 225 HA -0.14 0.23 1.01 -0.75 4.13 4.47 2o69A1 VAL 225 HB -0.17 0.05 0.12 -0.04 2.12 2.08 2o69A1 VAL 225 HG13 -0.64 -0.04 -0.22 -0.04 0.97 0.03 2o69A1 VAL 225 HG23 -0.10 0.06 -0.06 -0.04 0.95 0.81 2o69A1 SER 226 H -0.16 0.55 0.32 -0.55 8.46 8.63 2o69A1 SER 226 HA -0.11 0.11 0.89 -0.75 4.49 4.62 2o69A1 SER 226 HB2 -0.04 -0.03 0.18 -0.04 3.95 4.02 2o69A1 SER 226 HB3 -0.04 -0.03 0.09 -0.04 3.93 3.91 2o69A1 TYR 227 H 0.08 0.06 0.24 -0.55 8.29 8.12 2o69A1 TYR 227 HA -0.02 0.31 1.18 -0.75 4.56 5.28 2o69A1 TYR 227 HB2 -0.00 -0.16 0.14 -0.04 3.06 2.99 2o69A1 TYR 227 HB3 0.01 0.12 0.10 -0.04 2.98 3.16 2o69A1 TYR 227 HD2 -0.01 -0.04 -0.05 -0.04 7.15 7.01 2o69A1 TYR 227 HE2 -0.02 0.05 -0.04 -0.04 6.85 6.80 2o69A1 SER 228 H 0.02 0.61 0.39 -0.55 8.46 8.93 2o69A1 SER 228 HA -0.15 0.00 0.56 -0.75 4.49 4.16 2o69A1 SER 228 HB2 -0.10 -0.04 0.07 -0.04 3.95 3.83 2o69A1 SER 228 HB3 -0.25 0.11 0.17 -0.04 3.93 3.91 2o69A1 GLY 229 H -0.17 0.55 0.32 -0.55 8.43 8.58 2o69A1 GLY 229 HA2 0.10 0.11 0.78 -0.51 4.01 4.48 2o69A1 GLY 229 HA3 0.25 0.06 0.26 -0.51 4.01 4.07 2o69A1 ALA 230 H 0.19 0.62 0.37 -0.55 8.40 9.03 2o69A1 ALA 230 HA 0.28 0.31 0.91 -0.75 4.34 5.08 2o69A1 ALA 230 HB3 0.19 0.01 -0.05 -0.04 1.41 1.53 2o69A1 ALA 231 H 0.15 0.56 0.36 -0.55 8.40 8.92 2o69A1 ALA 231 HA -0.05 0.14 0.65 -0.75 4.34 4.33 2o69A1 ALA 231 HB3 -0.21 0.02 0.02 -0.04 1.41 1.20 2o69A1 VAL 232 H 0.02 0.31 0.13 -0.55 8.24 8.16 2o69A1 VAL 232 HA 0.07 0.22 0.89 -0.75 4.13 4.55 2o69A1 VAL 232 HB 0.02 0.04 0.05 -0.04 2.12 2.20 2o69A1 VAL 232 HG13 0.03 0.05 -0.07 -0.04 0.97 0.94 2o69A1 VAL 232 HG23 0.05 -0.02 -0.19 -0.04 0.95 0.75 2o69A1 LEU 233 H 0.03 0.48 0.08 -0.55 8.37 8.41 2o69A1 LEU 233 HA 0.02 0.21 0.74 -0.75 4.35 4.57 2o69A1 LEU 233 HB2 -0.04 0.12 0.02 -0.04 1.64 1.70 2o69A1 LEU 233 HB3 -0.04 -0.02 0.00 -0.04 1.64 1.55 2o69A1 LEU 233 HG -0.14 0.01 -0.16 -0.04 1.64 1.31 2o69A1 LEU 233 HD13 -0.01 0.02 -0.08 -0.04 0.93 0.82 2o69A1 LEU 233 HD23 0.03 -0.06 -0.51 -0.04 0.89 0.30 2o69A1 LYS 234 H 0.01 0.78 0.13 -0.55 8.42 8.79 2o69A1 LYS 234 HA 0.01 0.01 0.21 -0.75 4.32 3.80 2o69A1 ALA 235 H -0.01 0.04 -0.33 -0.55 8.40 7.55 2o69A1 ALA 235 HA -0.01 0.11 0.38 -0.75 4.34 4.07 2o69A1 ALA 235 HB3 -0.02 0.02 -0.00 -0.04 1.41 1.37 2o69A1 SER 236 H -0.01 0.30 -0.38 -0.55 8.46 7.82 2o69A1 SER 236 HA -0.02 0.09 0.44 -0.75 4.49 4.25 2o69A1 SER 236 HB2 -0.01 0.07 0.24 -0.04 3.95 4.20 2o69A1 SER 236 HB3 0.00 0.14 0.09 -0.04 3.93 4.12 2o69A1 LYS 237 H -0.01 0.20 0.16 -0.55 8.42 8.23 2o69A1 LYS 237 HA 0.00 0.16 0.67 -0.75 4.32 4.40 2o69A1 ASN 238 H 0.00 0.10 -0.47 -0.55 8.53 7.62 2o69A1 ASN 238 HA 0.01 0.16 0.62 -0.75 4.76 4.80 2o69A1 ASN 238 HB2 0.01 0.13 -0.07 -0.04 2.88 2.91 2o69A1 ASN 238 HB3 0.01 -0.03 0.12 -0.04 2.79 2.85 2o69A1 ASN 238 HD21 0.02 0.02 -0.02 -0.04 7.03 7.02 2o69A1 ASN 238 HD22 0.01 0.28 0.07 -0.04 7.74 8.06 2o69A1 GLN 239 H 0.01 0.31 -0.14 -0.55 8.47 8.11 2o69A1 GLN 239 HA 0.02 0.10 0.35 -0.75 4.36 4.08 2o69A1 GLN 239 HB2 0.01 -0.03 0.08 -0.04 2.15 2.18 2o69A1 GLN 239 HB3 0.02 -0.00 -0.03 -0.04 2.02 1.96 2o69A1 GLN 239 HG2 0.01 0.17 0.06 -0.04 2.40 2.60 2o69A1 GLN 239 HG3 0.01 0.02 0.04 -0.04 2.39 2.41 2o69A1 GLN 239 HE21 0.01 0.21 0.04 -0.04 6.97 7.18 2o69A1 GLN 239 HE22 0.00 0.46 0.04 -0.04 7.69 8.14 2o69A1 ALA 240 H 0.02 0.15 -0.17 -0.55 8.40 7.86 2o69A1 ALA 240 HA 0.04 0.07 0.30 -0.75 4.34 3.99 2o69A1 ALA 240 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 2o69A1 GLU 241 H 0.05 0.15 -0.22 -0.55 8.60 8.04 2o69A1 GLU 241 HA 0.13 0.08 0.41 -0.75 4.29 4.16 2o69A1 GLU 241 HB2 0.06 0.08 -0.01 -0.04 2.09 2.18 2o69A1 GLU 241 HB3 0.12 0.01 -0.12 -0.04 1.99 1.96 2o69A1 GLU 241 HG2 0.07 -0.02 -0.05 -0.04 2.34 2.31 2o69A1 GLU 241 HG3 0.04 -0.07 -0.03 -0.04 2.34 2.25 2o69A1 ALA 242 H 0.06 0.43 -0.25 -0.55 8.40 8.09 2o69A1 ALA 242 HA 0.07 0.00 0.43 -0.75 4.34 4.08 2o69A1 ALA 242 HB3 0.04 0.04 0.07 -0.04 1.41 1.52 2o69A1 GLN 243 H 0.06 0.76 -0.01 -0.55 8.47 8.74 2o69A1 GLN 243 HA 0.05 -0.02 0.42 -0.75 4.36 4.06 2o69A1 GLN 243 HB2 0.05 0.13 0.12 -0.04 2.15 2.41 2o69A1 GLN 243 HB3 0.04 -0.11 0.04 -0.04 2.02 1.94 2o69A1 GLN 243 HG2 0.03 0.08 0.10 -0.04 2.40 2.57 2o69A1 GLN 243 HG3 0.02 -0.02 -0.01 -0.04 2.39 2.34 2o69A1 GLN 243 HE21 0.00 0.48 0.04 -0.04 6.97 7.45 2o69A1 GLN 243 HE22 0.01 -0.03 -0.01 -0.04 7.69 7.62 2o69A1 LYS 244 H 0.12 0.47 -0.24 -0.55 8.42 8.22 2o69A1 LYS 244 HA 0.14 -0.00 0.49 -0.75 4.32 4.20 2o69A1 PHE 245 H 0.18 0.47 -0.29 -0.55 8.34 8.15 2o69A1 PHE 245 HA -0.79 0.05 0.50 -0.75 4.62 3.63 2o69A1 PHE 245 HB2 -0.61 0.09 0.05 -0.04 3.15 2.64 2o69A1 PHE 245 HB3 -0.22 0.11 0.09 -0.04 3.06 3.00 2o69A1 PHE 245 HD2 -1.23 0.02 -0.11 -0.04 7.28 5.92 2o69A1 PHE 245 HE2 -0.25 0.01 -0.18 -0.04 7.38 6.92 2o69A1 PHE 245 HZ -0.37 -0.04 -0.18 -0.04 7.32 6.69 2o69A1 VAL 246 H 0.05 0.58 -0.10 -0.55 8.24 8.23 2o69A1 VAL 246 HA -0.20 -0.02 0.35 -0.75 4.13 3.51 2o69A1 VAL 246 HB 0.01 0.08 0.05 -0.04 2.12 2.22 2o69A1 VAL 246 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 2o69A1 VAL 246 HG23 0.07 0.01 -0.17 -0.04 0.95 0.82 2o69A1 ASP 247 H 0.03 0.64 -0.18 -0.55 8.40 8.35 2o69A1 ASP 247 HA -0.01 -0.02 0.36 -0.75 4.63 4.21 2o69A1 ASP 247 HB2 0.10 0.11 0.06 -0.04 2.71 2.93 2o69A1 ASP 247 HB3 0.04 -0.06 -0.03 -0.04 2.70 2.61 2o69A1 PHE 248 H 0.18 0.61 -0.24 -0.55 8.34 8.34 2o69A1 PHE 248 HA 0.03 -0.05 0.51 -0.75 4.62 4.35 2o69A1 PHE 248 HB2 0.27 0.06 0.13 -0.04 3.15 3.57 2o69A1 PHE 248 HB3 -0.09 0.17 0.16 -0.04 3.06 3.26 2o69A1 PHE 248 HD2 -0.02 0.01 -0.08 -0.04 7.28 7.15 2o69A1 PHE 248 HE2 0.09 0.04 -0.10 -0.04 7.38 7.37 2o69A1 PHE 248 HZ 0.09 0.01 -0.31 -0.04 7.32 7.07 2o69A1 LEU 249 H -0.23 0.51 -0.25 -0.55 8.37 7.84 2o69A1 LEU 249 HA -0.36 -0.01 0.37 -0.75 4.35 3.60 2o69A1 LEU 249 HB2 -0.21 0.16 0.06 -0.04 1.64 1.61 2o69A1 LEU 249 HB3 -0.12 -0.08 -0.08 -0.04 1.64 1.31 2o69A1 LEU 249 HG -1.01 0.24 -0.07 -0.04 1.64 0.77 2o69A1 LEU 249 HD13 -0.26 -0.05 -0.15 -0.04 0.93 0.43 2o69A1 LEU 249 HD23 -0.34 -0.02 -0.12 -0.04 0.89 0.37 2o69A1 ALA 250 H -0.12 0.39 -0.30 -0.55 8.40 7.82 2o69A1 ALA 250 HA -0.09 0.08 0.57 -0.75 4.34 4.15 2o69A1 ALA 250 HB3 -0.06 -0.01 0.07 -0.04 1.41 1.36 2o69A1 SER 251 H -0.21 0.30 -0.53 -0.55 8.46 7.47 2o69A1 SER 251 HA -0.07 0.10 0.49 -0.75 4.49 4.26 2o69A1 SER 251 HB2 -0.04 -0.08 0.15 -0.04 3.95 3.95 2o69A1 SER 251 HB3 -0.05 0.20 0.14 -0.04 3.93 4.17 2o69A1 LYS 252 H -0.05 0.18 0.18 -0.55 8.42 8.17 2o69A1 LYS 252 HA -0.06 0.09 0.42 -0.75 4.32 4.02 2o69A1 LYS 252 HB2 -0.02 0.03 0.16 -0.04 1.87 2.00 2o69A1 LYS 252 HB3 -0.02 -0.01 0.10 -0.04 1.79 1.82 2o69A1 LYS 252 HG2 -0.01 -0.00 -0.07 -0.04 1.46 1.33 2o69A1 LYS 252 HG3 -0.02 -0.00 0.03 -0.04 1.46 1.42 2o69A1 LYS 252 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.64 2o69A1 LYS 252 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.64 2o69A1 LYS 252 HE2 -0.00 -0.02 0.06 -0.04 2.99 2.98 2o69A1 LYS 252 HE3 -0.00 0.12 0.07 -0.04 2.99 3.14 2o69A1 LYS 253 H -0.07 0.09 -0.15 -0.55 8.42 7.73 2o69A1 LYS 253 HA -0.02 0.10 0.37 -0.75 4.32 4.01 2o69A1 LYS 253 HB2 0.06 -0.01 0.05 -0.04 1.87 1.93 2o69A1 LYS 253 HB3 0.15 0.06 -0.09 -0.04 1.79 1.88 2o69A1 LYS 253 HG2 0.05 0.02 0.01 -0.04 1.46 1.50 2o69A1 LYS 253 HG3 0.05 -0.04 0.02 -0.04 1.46 1.45 2o69A1 LYS 253 HD2 0.19 0.02 -0.00 -0.04 1.69 1.86 2o69A1 LYS 253 HD3 0.14 0.03 -0.01 -0.04 1.68 1.80 2o69A1 LYS 253 HE2 0.06 -0.03 0.01 -0.04 2.99 2.98 2o69A1 LYS 253 HE3 0.07 0.05 0.01 -0.04 2.99 3.07 2o69A1 GLY 254 H -0.52 0.13 -0.22 -0.55 8.43 7.28 2o69A1 GLY 254 HA2 -0.73 -0.00 0.47 -0.51 4.01 3.24 2o69A1 GLY 254 HA3 -0.92 0.38 0.31 -0.51 4.01 3.27 2o69A1 GLN 255 H -0.20 0.64 -0.18 -0.55 8.47 8.18 2o69A1 GLN 255 HA -0.08 0.01 0.50 -0.75 4.36 4.04 2o69A1 GLN 255 HB2 -0.07 0.08 0.10 -0.04 2.15 2.22 2o69A1 GLN 255 HB3 -0.05 -0.10 0.03 -0.04 2.02 1.86 2o69A1 GLN 255 HG2 -0.12 0.28 0.01 -0.04 2.40 2.53 2o69A1 GLN 255 HG3 -0.08 0.00 -0.11 -0.04 2.39 2.16 2o69A1 GLN 255 HE21 -0.03 0.40 0.23 -0.04 6.97 7.52 2o69A1 GLN 255 HE22 -0.06 0.20 0.05 -0.04 7.69 7.83 2o69A1 GLU 256 H -0.07 0.52 -0.12 -0.55 8.60 8.39 2o69A1 GLU 256 HA -0.01 0.03 0.43 -0.75 4.29 3.99 2o69A1 GLU 256 HB2 -0.01 0.03 0.18 -0.04 2.09 2.25 2o69A1 GLU 256 HB3 0.01 -0.02 -0.02 -0.04 1.99 1.92 2o69A1 GLU 256 HG2 -0.00 -0.01 0.06 -0.04 2.34 2.35 2o69A1 GLU 256 HG3 -0.02 0.04 0.09 -0.04 2.34 2.41 2o69A1 ALA 257 H -0.01 0.57 -0.21 -0.55 8.40 8.20 2o69A1 ALA 257 HA 0.05 0.03 0.54 -0.75 4.34 4.21 2o69A1 ALA 257 HB3 0.10 0.03 0.05 -0.04 1.41 1.55 2o69A1 LEU 258 H -0.00 0.43 -0.26 -0.55 8.37 7.99 2o69A1 LEU 258 HA 0.05 -0.03 0.40 -0.75 4.35 4.02 2o69A1 LEU 258 HB2 0.03 0.04 0.08 -0.04 1.64 1.75 2o69A1 LEU 258 HB3 -0.01 0.17 0.18 -0.04 1.64 1.94 2o69A1 LEU 258 HG 0.02 -0.02 -0.09 -0.04 1.64 1.50 2o69A1 LEU 258 HD13 -0.04 0.01 -0.28 -0.04 0.93 0.58 2o69A1 LEU 258 HD23 0.04 -0.05 -0.05 -0.04 0.89 0.80 2o69A1 VAL 259 H 0.01 0.56 -0.06 -0.55 8.24 8.20 2o69A1 VAL 259 HA -0.01 0.20 0.31 -0.75 4.13 3.88 2o69A1 VAL 259 HB 0.04 -0.13 0.15 -0.04 2.12 2.13 2o69A1 VAL 259 HG13 -0.03 0.06 0.04 -0.04 0.97 1.00 2o69A1 VAL 259 HG23 0.02 0.05 -0.04 -0.04 0.95 0.94 2o69A1 ALA 260 H 0.06 0.34 -0.41 -0.55 8.40 7.85 2o69A1 ALA 260 HA 0.09 0.02 0.63 -0.75 4.34 4.33 2o69A1 ALA 260 HB3 0.05 0.03 0.09 -0.04 1.41 1.53 2o69A1 ALA 261 H 0.08 0.43 -0.16 -0.55 8.40 8.21 2o69A1 ALA 261 HA 0.11 0.08 0.46 -0.75 4.34 4.23 2o69A1 ALA 261 HB3 0.07 -0.03 0.01 -0.04 1.41 1.42 2o69A1 ARG 262 H 0.03 0.48 -0.14 -0.55 8.46 8.28 2o69A1 ARG 262 HA -0.26 0.05 0.71 -0.75 4.34 4.09 2o69A1 ARG 262 HB2 -0.12 -0.01 -0.42 -0.04 1.90 1.31 2o69A1 ARG 262 HB3 -0.14 0.06 -0.07 -0.04 1.80 1.61 2o69A1 ARG 262 HG2 -0.39 -0.04 -0.20 -0.04 1.67 1.01 2o69A1 ARG 262 HG3 -0.45 -0.00 0.02 -0.04 1.67 1.20 2o69A1 ARG 262 HD2 -0.24 -0.08 -0.05 -0.04 3.22 2.81 2o69A1 ARG 262 HD3 -0.19 0.02 -0.08 -0.04 3.22 2.94 2o69A1 ALA 263 H -0.59 0.08 0.05 -0.55 8.40 7.40 2o69A1 ALA 263 HA -0.76 0.29 0.49 -0.75 4.34 3.60 2o69A1 ALA 263 HB3 -0.77 -0.01 0.11 -0.04 1.41 0.69 2o69A1 GLU 264 H -0.27 0.33 -0.48 -0.55 8.60 7.63 2o69A1 GLU 264 HA -0.16 0.13 1.02 -0.75 4.29 4.53 2o69A1 GLU 264 HB2 -0.10 0.04 -0.14 -0.04 2.09 1.85 2o69A1 GLU 264 HB3 -0.05 0.11 0.00 -0.04 1.99 2.01 2o69A1 GLU 264 HG2 -0.25 -0.10 -0.24 -0.04 2.34 1.71 2o69A1 GLU 264 HG3 -0.19 0.02 -0.18 -0.04 2.34 1.95 2o69A1 TYR 265 H 0.14 0.59 0.36 -0.55 8.29 8.83 2o69A1 TYR 265 HA -0.03 0.15 0.55 -0.75 4.56 4.48 2o69A1 TYR 265 HB2 0.05 -0.15 0.18 -0.04 3.06 3.10 2o69A1 TYR 265 HB3 0.09 0.11 0.05 -0.04 2.98 3.19 2o69A1 TYR 265 HD2 0.01 0.13 -0.01 -0.04 7.15 7.23 2o69A1 TYR 265 HE2 -0.02 -0.07 -0.00 -0.04 6.85 6.71 2o69A1 PRO 266 HA -0.01 0.12 0.77 -0.51 4.44 4.81 2o69A1 PRO 266 HB2 -0.00 0.04 -0.03 -0.04 2.28 2.25 2o69A1 PRO 266 HB3 -0.01 0.02 0.09 -0.04 2.02 2.08 2o69A1 PRO 266 HG2 0.04 0.14 0.08 -0.04 2.03 2.24 2o69A1 PRO 266 HG3 0.00 -0.01 -0.12 -0.04 2.03 1.86 2o69A1 PRO 266 HD2 0.03 0.03 0.30 -0.04 3.68 4.00 2o69A1 PRO 266 HD3 -0.05 0.28 0.28 -0.04 3.65 4.11 2o69A1 LEU 267 H -0.04 0.28 0.26 -0.55 8.37 8.32 2o69A1 LEU 267 HA -0.12 0.15 0.81 -0.75 4.35 4.44 2o69A1 LEU 267 HB2 -0.08 0.07 0.00 -0.04 1.64 1.60 2o69A1 LEU 267 HB3 -0.17 0.11 0.08 -0.04 1.64 1.62 2o69A1 LEU 267 HG -0.05 0.03 -0.47 -0.04 1.64 1.11 2o69A1 LEU 267 HD13 -0.05 0.00 -0.39 -0.04 0.93 0.46 2o69A1 LEU 267 HD23 -0.43 0.02 -0.33 -0.04 0.89 0.10 2o69A1 ARG 268 H -0.03 -0.01 0.08 -0.55 8.46 7.94 2o69A1 ARG 268 HA -0.03 0.36 0.80 -0.75 4.34 4.72 2o69A1 ARG 268 HB2 -0.03 -0.05 0.06 -0.04 1.90 1.84 2o69A1 ARG 268 HB3 -0.02 -0.18 -0.04 -0.04 1.80 1.52 2o69A1 ARG 268 HG2 -0.04 0.16 0.05 -0.04 1.67 1.79 2o69A1 ARG 268 HG3 -0.05 -0.00 0.01 -0.04 1.67 1.58 2o69A1 ARG 268 HD2 -0.07 0.29 -0.36 -0.04 3.22 3.04 2o69A1 ARG 268 HD3 -0.05 -0.07 -0.17 -0.04 3.22 2.89 2o69A1 ALA 269 H -0.00 0.22 0.19 -0.55 8.40 8.26 2o69A1 ALA 269 HA 0.03 0.14 0.35 -0.75 4.34 4.11 2o69A1 ALA 269 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 2o69A1 ASP 270 H -0.00 0.03 -0.35 -0.55 8.40 7.53 2o69A1 ASP 270 HA 0.01 0.22 0.70 -0.75 4.63 4.80 2o69A1 ASP 270 HB2 -0.00 0.02 0.15 -0.04 2.71 2.83 2o69A1 ASP 270 HB3 -0.00 -0.00 -0.03 -0.04 2.70 2.62 2o69A1 VAL 271 H 0.01 0.34 -0.30 -0.55 8.24 7.74 2o69A1 VAL 271 HA -0.00 0.16 0.89 -0.75 4.13 4.43 2o69A1 VAL 271 HB -0.01 0.02 -0.02 -0.04 2.12 2.07 2o69A1 VAL 271 HG13 -0.01 -0.01 -0.26 -0.04 0.97 0.66 2o69A1 VAL 271 HG23 -0.02 -0.02 -0.10 -0.04 0.95 0.76 2o69A1 VAL 272 H 0.01 0.22 0.11 -0.55 8.24 8.03 2o69A1 VAL 272 HA 0.02 0.15 0.80 -0.75 4.13 4.34 2o69A1 VAL 272 HB 0.01 -0.03 0.04 -0.04 2.12 2.10 2o69A1 VAL 272 HG13 0.01 -0.01 -0.27 -0.04 0.97 0.67 2o69A1 VAL 272 HG23 0.02 0.01 -0.13 -0.04 0.95 0.80 2o69A1 SER 273 H 0.00 0.18 0.14 -0.55 8.46 8.23 2o69A1 SER 273 HA 0.03 0.22 0.55 -0.75 4.49 4.54 2o69A1 SER 273 HB2 -0.05 0.16 0.12 -0.04 3.95 4.13 2o69A1 SER 273 HB3 -0.05 -0.10 0.18 -0.04 3.93 3.92 2o69A1 PRO 274 HA -0.03 0.12 0.53 -0.51 4.44 4.55 2o69A1 PRO 274 HB2 -0.23 0.05 0.01 -0.04 2.28 2.07 2o69A1 PRO 274 HB3 -0.07 0.02 0.12 -0.04 2.02 2.05 2o69A1 PRO 274 HG2 -0.00 0.18 0.05 -0.04 2.03 2.21 2o69A1 PRO 274 HG3 -0.01 0.02 0.03 -0.04 2.03 2.04 2o69A1 PRO 274 HD2 0.13 0.18 0.11 -0.04 3.68 4.06 2o69A1 PRO 274 HD3 0.03 0.23 0.19 -0.04 3.65 4.07 2o69A1 PHE 275 H 0.23 0.06 -0.39 -0.55 8.34 7.68 2o69A1 PHE 275 HA 0.03 0.20 0.64 -0.75 4.62 4.73 2o69A1 PHE 275 HB2 -0.14 -0.04 -0.05 -0.04 3.15 2.88 2o69A1 PHE 275 HB3 0.01 -0.05 0.00 -0.04 3.06 2.99 2o69A1 PHE 275 HD2 -0.00 0.06 -0.10 -0.04 7.28 7.20 2o69A1 PHE 275 HE2 -0.02 0.10 -0.21 -0.04 7.38 7.20 2o69A1 PHE 275 HZ -0.03 0.06 -0.23 -0.04 7.32 7.07 2o69A1 ASN 276 H 0.07 0.30 -0.38 -0.55 8.53 7.97 2o69A1 ASN 276 HA 0.06 0.11 0.22 -0.75 4.76 4.40 2o69A1 ASN 276 HB2 0.10 0.02 -0.37 -0.04 2.88 2.59 2o69A1 ASN 276 HB3 0.24 0.08 0.13 -0.04 2.79 3.19 2o69A1 ASN 276 HD21 0.10 -0.03 -0.00 -0.04 7.03 7.06 2o69A1 ASN 276 HD22 0.14 -0.01 -0.00 -0.04 7.74 7.83 2o69A1 LEU 277 H -0.09 -0.06 -0.11 -0.55 8.37 7.56 2o69A1 LEU 277 HA -0.33 0.03 0.42 -0.75 4.35 3.72 2o69A1 LEU 277 HB2 -0.26 -0.02 0.00 -0.04 1.64 1.33 2o69A1 LEU 277 HB3 -0.58 0.07 -0.00 -0.04 1.64 1.09 2o69A1 LEU 277 HG -0.38 -0.12 -0.11 -0.04 1.64 0.99 2o69A1 LEU 277 HD13 -0.94 0.00 -0.35 -0.04 0.93 -0.40 2o69A1 LEU 277 HD23 -1.21 0.00 -0.13 -0.04 0.89 -0.49 2o69A1 GLU 278 H 0.06 0.05 0.11 -0.55 8.60 8.27 2o69A1 GLU 278 HA 0.03 0.13 0.63 -0.75 4.29 4.33 2o69A1 GLU 278 HB2 -0.12 -0.07 0.00 -0.04 2.09 1.86 2o69A1 GLU 278 HB3 -0.08 0.06 0.03 -0.04 1.99 1.97 2o69A1 GLU 278 HG2 -0.04 0.02 0.05 -0.04 2.34 2.32 2o69A1 GLU 278 HG3 0.02 0.02 0.06 -0.04 2.34 2.39 2o69A1 PRO 279 HA 0.10 0.13 0.60 -0.51 4.44 4.76 2o69A1 PRO 279 HB2 0.00 -0.15 0.04 -0.04 2.28 2.13 2o69A1 PRO 279 HB3 0.04 0.13 0.14 -0.04 2.02 2.28 2o69A1 PRO 279 HG2 -0.00 0.02 0.10 -0.04 2.03 2.10 2o69A1 PRO 279 HG3 0.02 0.11 0.10 -0.04 2.03 2.22 2o69A1 PRO 279 HD2 -0.00 0.07 0.22 -0.04 3.68 3.92 2o69A1 PRO 279 HD3 0.03 0.23 0.17 -0.04 3.65 4.03 2o69A1 TYR 280 H 0.22 0.29 0.17 -0.55 8.29 8.42 2o69A1 TYR 280 HA -0.22 0.05 0.41 -0.75 4.56 4.05 2o69A1 TYR 280 HB2 0.05 0.10 0.08 -0.04 3.06 3.25 2o69A1 TYR 280 HB3 0.02 0.03 0.11 -0.04 2.98 3.10 2o69A1 TYR 280 HD2 -0.06 -0.05 -0.10 -0.04 7.15 6.90 2o69A1 TYR 280 HE2 0.08 0.08 -0.17 -0.04 6.85 6.80 2o69A1 GLU 281 H 0.02 0.12 -0.21 -0.55 8.60 7.99 2o69A1 GLU 281 HA -0.36 0.11 0.31 -0.75 4.29 3.60 2o69A1 LYS 282 H -0.13 0.27 -0.43 -0.55 8.42 7.57 2o69A1 LYS 282 HA -0.11 0.06 0.42 -0.75 4.32 3.94 2o69A1 LYS 282 HB2 -0.14 0.15 0.00 -0.04 1.87 1.85 2o69A1 LYS 282 HB3 -0.11 -0.01 0.04 -0.04 1.79 1.67 2o69A1 LYS 282 HG2 -0.05 -0.09 0.01 -0.04 1.46 1.29 2o69A1 LYS 282 HG3 -0.04 0.01 0.05 -0.04 1.46 1.43 2o69A1 LYS 282 HD2 -0.03 0.01 0.02 -0.04 1.69 1.65 2o69A1 LYS 282 HD3 -0.05 0.02 0.01 -0.04 1.68 1.61 2o69A1 LYS 282 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.84 2o69A1 LYS 282 HE3 -0.01 0.01 0.00 -0.04 2.99 2.95 2o69A1 LEU 283 H -0.34 0.45 -0.32 -0.55 8.37 7.62 2o69A1 LEU 283 HA -0.28 0.02 0.45 -0.75 4.35 3.78 2o69A1 LEU 283 HB2 -0.47 0.09 0.05 -0.04 1.64 1.27 2o69A1 LEU 283 HB3 -0.28 -0.03 0.02 -0.04 1.64 1.30 2o69A1 LEU 283 HG -0.51 0.12 0.02 -0.04 1.64 1.23 2o69A1 LEU 283 HD13 -0.93 -0.02 -0.02 -0.04 0.93 -0.07 2o69A1 LEU 283 HD23 -0.58 -0.02 -0.04 -0.04 0.89 0.20 2o69A1 GLU 284 H -0.26 0.35 -0.40 -0.55 8.60 7.76 2o69A1 GLU 284 HA -0.15 0.10 0.27 -0.75 4.29 3.76 2o69A1 GLU 284 HB2 -0.08 -0.13 0.06 -0.04 2.09 1.90 2o69A1 GLU 284 HB3 -0.06 -0.05 0.15 -0.04 1.99 1.99 2o69A1 GLU 284 HG2 -0.07 0.05 0.04 -0.04 2.34 2.33 2o69A1 GLU 284 HG3 -0.10 0.16 -0.19 -0.04 2.34 2.17 2o69A1 ALA 285 H -0.24 0.04 -0.22 -0.55 8.40 7.43 2o69A1 ALA 285 HA -0.09 0.21 0.29 -0.75 4.34 4.00 2o69A1 ALA 285 HB3 -0.01 -0.03 0.02 -0.04 1.41 1.35 2o69A1 PRO 286 HA -0.02 0.10 0.53 -0.51 4.44 4.54 2o69A1 PRO 286 HB2 -0.03 -0.01 -0.16 -0.04 2.28 2.04 2o69A1 PRO 286 HB3 -0.06 0.33 -0.06 -0.04 2.02 2.20 2o69A1 PRO 286 HG2 -0.02 -0.09 -0.10 -0.04 2.03 1.78 2o69A1 PRO 286 HG3 -0.07 0.07 -0.15 -0.04 2.03 1.84 2o69A1 PRO 286 HD2 -0.04 0.02 -0.13 -0.04 3.68 3.49 2o69A1 PRO 286 HD3 -0.08 0.15 -0.18 -0.04 3.65 3.50 2o69A1 VAL 287 H 0.00 0.17 0.12 -0.55 8.24 7.98 2o69A1 VAL 287 HA 0.05 0.16 0.71 -0.75 4.13 4.30 2o69A1 VAL 287 HB 0.01 -0.01 0.16 -0.04 2.12 2.24 2o69A1 VAL 287 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.77 2o69A1 VAL 287 HG23 0.02 0.03 -0.06 -0.04 0.95 0.90 2o69A1 VAL 288 H 0.06 0.29 0.12 -0.55 8.24 8.17 2o69A1 VAL 288 HA 0.02 0.12 0.80 -0.75 4.13 4.32 2o69A1 VAL 288 HB 0.04 0.00 0.02 -0.04 2.12 2.15 2o69A1 VAL 288 HG13 0.01 0.06 -0.11 -0.04 0.97 0.88 2o69A1 VAL 288 HG23 -0.01 -0.01 -0.30 -0.04 0.95 0.59 2o69A1 SER 289 H 0.02 0.14 0.10 -0.55 8.46 8.18 2o69A1 SER 289 HA 0.05 0.04 0.45 -0.75 4.49 4.28 2o69A1 SER 289 HB2 0.04 -0.03 0.10 -0.04 3.95 4.02 2o69A1 SER 289 HB3 0.03 0.05 0.11 -0.04 3.93 4.08 2o69A1 ALA 290 H 0.06 0.09 0.13 -0.55 8.40 8.14 2o69A1 ALA 290 HA 0.03 0.02 0.50 -0.75 4.34 4.13 2o69A1 ALA 290 HB3 0.03 0.01 0.05 -0.04 1.41 1.45 2o69A1 THR 291 H 0.00 0.09 0.15 -0.55 8.28 7.98 2o69A1 THR 291 HA 0.01 0.10 0.69 -0.75 4.39 4.44 2o69A1 THR 291 HB -0.01 -0.11 0.17 -0.04 4.32 4.34 2o69A1 THR 291 HG23 0.01 0.02 -0.10 -0.04 1.22 1.11 2o69A1 THR 292 H 0.02 0.24 0.17 -0.55 8.28 8.16 2o69A1 THR 292 HA 0.01 0.18 0.68 -0.75 4.39 4.50 2o69A1 THR 292 HB 0.02 -0.01 0.18 -0.04 4.32 4.47 2o69A1 THR 292 HG23 0.02 0.08 0.04 -0.04 1.22 1.32 2o69A1 ALA 293 H 0.01 0.23 0.14 -0.55 8.40 8.24 2o69A1 ALA 293 HA 0.02 0.10 0.56 -0.75 4.34 4.26 2o69A1 ALA 293 HB3 0.02 0.05 0.07 -0.04 1.41 1.50 2o69A1 GLN 294 H 0.03 0.10 -0.13 -0.55 8.47 7.92 2o69A1 GLN 294 HA 0.04 0.15 0.54 -0.75 4.36 4.33 2o69A1 ASP 295 H 0.04 0.01 -0.30 -0.55 8.40 7.60 2o69A1 ASP 295 HA 0.11 0.11 0.44 -0.75 4.63 4.54 2o69A1 ASP 295 HB2 0.03 0.29 0.15 -0.04 2.71 3.14 2o69A1 ASP 295 HB3 0.04 0.02 -0.02 -0.04 2.70 2.71 2o69A1 LYS 296 H 0.04 0.38 -0.18 -0.55 8.42 8.10 2o69A1 LYS 296 HA 0.03 0.03 0.34 -0.75 4.32 3.97 2o69A1 LYS 296 HB2 0.03 0.10 0.13 -0.04 1.87 2.08 2o69A1 LYS 296 HB3 0.03 0.01 -0.04 -0.04 1.79 1.75 2o69A1 LYS 296 HG2 0.02 -0.03 -0.04 -0.04 1.46 1.38 2o69A1 LYS 296 HG3 0.02 0.12 -0.06 -0.04 1.46 1.50 2o69A1 LYS 296 HD2 0.02 0.03 -0.01 -0.04 1.69 1.69 2o69A1 LYS 296 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 2o69A1 LYS 296 HE2 0.00 0.07 -0.11 -0.04 2.99 2.91 2o69A1 LYS 296 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.86 2o69A1 GLU 297 H 0.05 0.39 -0.31 -0.55 8.60 8.19 2o69A1 GLU 297 HA 0.05 0.03 0.44 -0.75 4.29 4.06 2o69A1 HIS 298 H 0.15 0.66 -0.08 -0.55 8.41 8.59 2o69A1 HIS 298 HA 0.02 0.02 0.49 -0.75 4.63 4.41 2o69A1 HIS 298 HB2 0.02 0.01 0.14 -0.04 3.26 3.39 2o69A1 HIS 298 HB3 0.02 0.12 0.22 -0.04 3.20 3.51 2o69A1 HIS 298 HD2 0.01 -0.01 -0.03 -0.04 6.97 6.89 2o69A1 HIS 298 HE1 0.02 0.01 -0.03 -0.04 7.75 7.70 2o69A1 ALA 299 H -0.00 0.54 -0.15 -0.55 8.40 8.24 2o69A1 ALA 299 HA -0.24 0.00 0.33 -0.75 4.34 3.68 2o69A1 ALA 299 HB3 -0.03 0.01 0.09 -0.04 1.41 1.43 2o69A1 ILE 300 H 0.03 0.46 -0.22 -0.55 8.25 7.96 2o69A1 ILE 300 HA 0.05 0.00 0.46 -0.75 4.18 3.95 2o69A1 ILE 300 HB 0.04 0.13 0.16 -0.04 1.89 2.19 2o69A1 ILE 300 HG12 0.05 -0.03 0.03 -0.04 1.49 1.50 2o69A1 ILE 300 HG13 0.05 0.01 0.08 -0.04 1.21 1.32 2o69A1 ILE 300 HG23 0.04 -0.01 -0.07 -0.04 0.93 0.85 2o69A1 ILE 300 HD13 0.04 -0.03 -0.06 -0.04 0.88 0.79 2o69A1 LYS 301 H 0.05 0.52 -0.08 -0.55 8.42 8.35 2o69A1 LYS 301 HA 0.04 0.02 0.57 -0.75 4.32 4.21 2o69A1 LEU 302 H -0.04 0.40 -0.23 -0.55 8.37 7.96 2o69A1 LEU 302 HA 0.03 0.03 0.33 -0.75 4.35 3.98 2o69A1 LEU 302 HB2 -0.07 0.11 0.11 -0.04 1.64 1.75 2o69A1 LEU 302 HB3 0.01 -0.02 -0.06 -0.04 1.64 1.52 2o69A1 LEU 302 HG -0.19 0.05 -0.01 -0.04 1.64 1.45 2o69A1 LEU 302 HD13 -0.23 -0.04 -0.08 -0.04 0.93 0.54 2o69A1 LEU 302 HD23 0.05 -0.02 -0.01 -0.04 0.89 0.88 2o69A1 ILE 303 H 0.04 0.57 -0.04 -0.55 8.25 8.27 2o69A1 ILE 303 HA 0.10 0.01 0.41 -0.75 4.18 3.94 2o69A1 ILE 303 HB 0.08 0.10 0.19 -0.04 1.89 2.22 2o69A1 ILE 303 HG12 0.30 -0.05 0.01 -0.04 1.49 1.72 2o69A1 ILE 303 HG13 0.13 0.13 0.05 -0.04 1.21 1.48 2o69A1 ILE 303 HG23 0.08 0.00 -0.06 -0.04 0.93 0.90 2o69A1 ILE 303 HD13 0.26 -0.02 -0.07 -0.04 0.88 1.00 2o69A1 GLU 304 H 0.04 0.34 -0.42 -0.55 8.60 8.01 2o69A1 GLU 304 HA 0.02 0.13 0.32 -0.75 4.29 4.02 2o69A1 GLU 305 H 0.03 0.64 0.07 -0.55 8.60 8.79 2o69A1 GLU 305 HA 0.02 0.02 0.45 -0.75 4.29 4.03 2o69A1 GLU 305 HB2 0.04 0.07 0.15 -0.04 2.09 2.31 2o69A1 GLU 305 HB3 0.03 0.04 0.05 -0.04 1.99 2.07 2o69A1 GLU 305 HG2 0.03 0.03 0.10 -0.04 2.34 2.46 2o69A1 GLU 305 HG3 0.03 -0.04 0.07 -0.04 2.34 2.36 2o69A1 ALA 306 H 0.03 0.21 -0.75 -0.55 8.40 7.35 2o69A1 ALA 306 HA 0.02 0.10 0.69 -0.75 4.34 4.39 2o69A1 ALA 306 HB3 0.03 0.01 -0.02 -0.04 1.41 1.38 2o69A1 GLY 307 H 0.02 0.50 -0.19 -0.55 8.43 8.21 2o69A1 GLY 307 HA2 0.01 0.02 0.29 -0.51 4.01 3.82 2o69A1 GLY 307 HA3 0.00 0.06 0.48 -0.51 4.01 4.04 2o69A1 LEU 308 H 0.02 0.38 -0.05 -0.55 8.37 8.17 2o69A1 LEU 308 HA 0.01 0.18 0.43 -0.75 4.35 4.21 2o69A1 LEU 308 HB2 0.04 0.18 0.08 -0.04 1.64 1.90 2o69A1 LEU 308 HB3 0.01 -0.12 0.01 -0.04 1.64 1.50 2o69A1 LEU 308 HG 0.01 0.11 -0.21 -0.04 1.64 1.51 2o69A1 LEU 308 HD13 0.05 -0.03 -0.01 -0.04 0.93 0.89 2o69A1 LEU 308 HD23 0.06 0.01 -0.10 -0.04 0.89 0.81