============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 6 1.000 -10.808 20.827 9.632 -99.200 -91.000 HIS 12 0.900 -13.946 32.794 10.258 -99.200 -91.000 PHE 14 1.000 -0.877 29.318 11.778 -99.200 -91.000 HIS 16 0.900 -8.822 35.066 10.654 -99.200 -91.000 HIS 36 0.900 2.687 4.226 8.335 -99.200 -91.000 PHE 50 1.000 14.239 7.375 8.633 -99.200 -91.000 PHE 79 1.000 15.298 24.463 9.523 -99.200 -91.000 HIS 84 0.900 12.268 33.437 4.042 -99.200 -91.000 TYR 87 0.840 4.167 30.989 11.241 -99.200 -91.000 PHE 109 1.000 2.486 19.291 15.006 -99.200 -91.000 TYR 112 0.840 5.873 28.344 21.570 -99.200 -91.000 PHE 127 1.000 13.703 27.827 18.545 -99.200 -91.000 TYR 139 0.840 -1.820 13.483 19.596 -99.200 -91.000 TYR 142 0.840 4.519 7.959 13.525 -99.200 -91.000 TYR 149 0.840 -4.666 20.797 12.745 -99.200 -91.000 HIS 156 0.900 -9.714 21.177 14.165 -99.200 -91.000 PHE 158 1.000 -7.503 16.481 9.692 -99.200 -91.000 TYR 160 0.840 -0.924 7.164 4.806 -99.200 -91.000 PHE 167 1.000 -1.716 11.667 7.696 -99.200 -91.000 PHE 175 1.000 -9.198 15.243 27.713 -99.200 -91.000 TYR 182 0.840 -4.446 4.120 38.109 -99.200 -91.000 TYR 189 0.840 2.872 3.431 45.960 -99.200 -91.000 PHE 192 1.000 4.916 7.341 40.973 -99.200 -91.000 TYR 199 0.840 -5.517 10.628 41.175 -99.200 -91.000 PHE 202 1.000 -10.423 9.569 44.543 -99.200 -91.000 TYR 214 0.840 -10.975 6.783 38.733 -99.200 -91.000 TYR 218 0.840 2.899 4.394 31.948 -99.200 -91.000 PHE 226 1.000 -3.203 14.483 25.005 -99.200 -91.000 HIS 227 0.900 -5.685 9.119 19.473 -99.200 -91.000 TYR 236 0.840 1.458 10.586 30.689 -99.200 -91.000 TYR 238 0.840 7.400 10.018 33.895 -99.200 -91.000 HIS 244 0.900 13.666 10.935 34.799 -99.200 -91.000 TYR 253 0.840 12.625 20.327 23.112 -99.200 -91.000 PHE 259 1.000 -2.889 25.609 21.676 -99.200 -91.000 HIS 284 0.900 17.640 20.194 25.646 -99.200 -91.000 PHE 289 1.000 1.834 17.055 30.599 -99.200 -91.000 PHE 290 1.000 0.901 15.260 38.401 -99.200 -91.000 HIS 295 0.900 -13.425 13.548 36.645 -99.200 -91.000 PHE 302 1.000 -6.483 12.401 47.014 -99.200 -91.000 PHE 306 1.000 -2.871 13.131 52.445 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ox3A1 LYS 2 HA 0.08 -0.11 0.22 -0.75 4.32 3.76 2ox3A1 LYS 2 HB2 0.08 0.02 0.03 -0.04 1.87 1.96 2ox3A1 LYS 2 HB3 0.12 -0.02 0.04 -0.04 1.79 1.88 2ox3A1 LYS 2 HG2 0.22 0.10 -0.22 -0.04 1.46 1.52 2ox3A1 LYS 2 HG3 0.12 -0.04 -0.06 -0.04 1.46 1.43 2ox3A1 LYS 2 HD2 0.31 -0.01 -0.08 -0.04 1.69 1.88 2ox3A1 LYS 2 HD3 0.20 0.02 -0.15 -0.04 1.68 1.70 2ox3A1 LYS 2 HE2 0.07 -0.01 -0.04 -0.04 2.99 2.98 2ox3A1 LYS 2 HE3 0.09 -0.00 -0.02 -0.04 2.99 3.02 2ox3A1 THR 3 H 0.10 0.04 0.10 -0.55 8.28 7.97 2ox3A1 THR 3 HA 0.17 0.35 0.76 -0.75 4.39 4.92 2ox3A1 THR 3 HB 0.09 -0.00 0.20 -0.04 4.32 4.56 2ox3A1 THR 3 HG23 0.06 0.04 0.01 -0.04 1.22 1.29 2ox3A1 LEU 4 H 0.09 0.44 0.22 -0.55 8.37 8.58 2ox3A1 LEU 4 HA -0.34 0.14 0.33 -0.75 4.35 3.72 2ox3A1 LEU 4 HB2 -0.63 0.09 -0.01 -0.04 1.64 1.04 2ox3A1 LEU 4 HB3 -0.18 -0.07 0.13 -0.04 1.64 1.48 2ox3A1 LEU 4 HG -0.36 -0.03 -0.31 -0.04 1.64 0.90 2ox3A1 LEU 4 HD13 -1.06 0.01 -0.11 -0.04 0.93 -0.27 2ox3A1 LEU 4 HD23 -0.48 0.01 -0.11 -0.04 0.89 0.27 2ox3A1 GLY 5 H -0.02 0.13 -0.05 -0.55 8.43 7.95 2ox3A1 GLY 5 HA2 -0.05 0.11 0.33 -0.51 4.01 3.89 2ox3A1 GLY 5 HA3 -0.02 0.09 0.25 -0.51 4.01 3.82 2ox3A1 GLU 6 H 0.08 0.08 -0.50 -0.55 8.60 7.71 2ox3A1 GLU 6 HA 0.03 0.11 0.52 -0.75 4.29 4.20 2ox3A1 GLU 6 HB2 0.10 0.05 0.05 -0.04 2.09 2.25 2ox3A1 GLU 6 HB3 0.06 0.05 0.02 -0.04 1.99 2.08 2ox3A1 GLU 6 HG2 0.03 0.05 -0.01 -0.04 2.34 2.37 2ox3A1 GLU 6 HG3 0.04 -0.09 -0.03 -0.04 2.34 2.22 2ox3A1 PHE 7 H 0.25 0.37 -0.31 -0.55 8.34 8.10 2ox3A1 PHE 7 HA 0.05 0.05 0.45 -0.75 4.62 4.42 2ox3A1 PHE 7 HB2 0.26 0.06 -0.00 -0.04 3.15 3.42 2ox3A1 PHE 7 HB3 0.18 0.12 0.10 -0.04 3.06 3.42 2ox3A1 PHE 7 HD2 0.11 0.00 -0.17 -0.04 7.28 7.18 2ox3A1 PHE 7 HE2 -0.40 -0.00 -0.05 -0.04 7.38 6.89 2ox3A1 PHE 7 HZ -0.64 0.10 -0.00 -0.04 7.32 6.73 2ox3A1 ILE 8 H 0.13 0.47 -0.14 -0.55 8.25 8.16 2ox3A1 ILE 8 HA 0.06 0.06 0.27 -0.75 4.18 3.81 2ox3A1 ILE 8 HB -0.03 0.09 0.05 -0.04 1.89 1.96 2ox3A1 ILE 8 HG12 -0.03 0.38 -0.04 -0.04 1.49 1.76 2ox3A1 ILE 8 HG13 -0.14 -0.08 -0.14 -0.04 1.21 0.81 2ox3A1 ILE 8 HG23 -0.07 -0.02 -0.23 -0.04 0.93 0.57 2ox3A1 ILE 8 HD13 -0.09 -0.01 -0.14 -0.04 0.88 0.59 2ox3A1 VAL 9 H -0.01 0.30 -0.38 -0.55 8.24 7.60 2ox3A1 VAL 9 HA -0.03 0.02 0.31 -0.75 4.13 3.67 2ox3A1 VAL 9 HB -0.01 0.10 0.08 -0.04 2.12 2.25 2ox3A1 VAL 9 HG13 -0.02 -0.02 -0.14 -0.04 0.97 0.75 2ox3A1 VAL 9 HG23 -0.01 0.06 0.03 -0.04 0.95 0.98 2ox3A1 GLU 10 H -0.09 0.34 -0.32 -0.55 8.60 7.98 2ox3A1 GLU 10 HA -0.09 0.00 0.46 -0.75 4.29 3.91 2ox3A1 GLU 10 HB2 -0.07 -0.03 0.12 -0.04 2.09 2.07 2ox3A1 GLU 10 HB3 -0.19 0.08 0.19 -0.04 1.99 2.03 2ox3A1 GLU 10 HG2 -0.24 0.02 -0.24 -0.04 2.34 1.84 2ox3A1 GLU 10 HG3 -0.09 -0.06 0.05 -0.04 2.34 2.20 2ox3A1 LYS 11 H -0.26 0.47 -0.39 -0.55 8.42 7.69 2ox3A1 LYS 11 HA -0.14 0.10 0.79 -0.75 4.32 4.31 2ox3A1 LYS 11 HB2 -0.24 0.07 0.14 -0.04 1.87 1.80 2ox3A1 LYS 11 HB3 -0.11 -0.11 0.14 -0.04 1.79 1.67 2ox3A1 LYS 11 HG2 -1.24 0.14 -0.02 -0.04 1.46 0.30 2ox3A1 LYS 11 HG3 -1.07 -0.02 -0.02 -0.04 1.46 0.32 2ox3A1 LYS 11 HD2 -0.16 -0.01 -0.01 -0.04 1.69 1.47 2ox3A1 LYS 11 HD3 -0.24 0.06 -0.17 -0.04 1.68 1.29 2ox3A1 LYS 11 HE2 -0.48 -0.03 -0.08 -0.04 2.99 2.36 2ox3A1 LYS 11 HE3 -0.27 0.02 -0.03 -0.04 2.99 2.67 2ox3A1 GLN 12 H -0.11 0.33 -0.35 -0.55 8.47 7.80 2ox3A1 GLN 12 HA 0.01 0.07 0.34 -0.75 4.36 4.03 2ox3A1 GLN 12 HB2 -0.22 -0.05 0.10 -0.04 2.15 1.93 2ox3A1 GLN 12 HB3 -0.05 -0.02 0.02 -0.04 2.02 1.94 2ox3A1 GLN 12 HG2 -0.03 -0.06 0.08 -0.04 2.40 2.35 2ox3A1 GLN 12 HG3 -0.07 0.27 0.08 -0.04 2.39 2.63 2ox3A1 GLN 12 HE21 -0.05 -0.07 0.03 -0.04 6.97 6.83 2ox3A1 GLN 12 HE22 -0.06 0.12 0.06 -0.04 7.69 7.76 2ox3A1 HIS 13 H -0.08 0.07 -0.20 -0.55 8.41 7.65 2ox3A1 HIS 13 HA 0.48 0.04 0.36 -0.75 4.63 4.76 2ox3A1 HIS 13 HB2 0.08 0.01 0.01 -0.04 3.26 3.32 2ox3A1 HIS 13 HB3 0.15 0.01 0.03 -0.04 3.20 3.34 2ox3A1 HIS 13 HD2 0.03 0.03 0.03 -0.04 6.97 7.02 2ox3A1 HIS 13 HE1 -0.01 -0.01 0.00 -0.04 7.75 7.69 2ox3A1 GLU 14 H 0.11 0.36 -0.44 -0.55 8.60 8.08 2ox3A1 GLU 14 HA 0.08 0.09 0.54 -0.75 4.29 4.25 2ox3A1 GLU 14 HB2 0.15 0.18 0.03 -0.04 2.09 2.41 2ox3A1 GLU 14 HB3 0.21 -0.13 0.11 -0.04 1.99 2.14 2ox3A1 GLU 14 HG2 0.16 -0.01 -0.03 -0.04 2.34 2.42 2ox3A1 GLU 14 HG3 0.13 -0.02 0.00 -0.04 2.34 2.41 2ox3A1 PHE 15 H 0.21 0.18 0.15 -0.55 8.34 8.34 2ox3A1 PHE 15 HA 0.04 0.17 0.39 -0.75 4.62 4.46 2ox3A1 PHE 15 HB2 0.05 -0.02 -0.12 -0.04 3.15 3.02 2ox3A1 PHE 15 HB3 0.02 0.02 -0.06 -0.04 3.06 3.00 2ox3A1 PHE 15 HD2 0.04 0.07 0.01 -0.04 7.28 7.36 2ox3A1 PHE 15 HE2 -0.04 -0.02 -0.12 -0.04 7.38 7.16 2ox3A1 PHE 15 HZ -0.66 -0.00 -0.11 -0.04 7.32 6.51 2ox3A1 SER 16 H -0.15 0.15 -0.16 -0.55 8.46 7.75 2ox3A1 SER 16 HA -0.27 0.05 0.29 -0.75 4.49 3.80 2ox3A1 SER 16 HB2 -0.16 0.01 -0.01 -0.04 3.95 3.74 2ox3A1 SER 16 HB3 -0.24 0.15 -0.15 -0.04 3.93 3.65 2ox3A1 HIS 17 H -0.24 0.55 -0.60 -0.55 8.41 7.58 2ox3A1 HIS 17 HA 0.08 0.46 0.37 -0.75 4.63 4.79 2ox3A1 HIS 17 HB2 0.04 0.11 0.08 -0.04 3.26 3.45 2ox3A1 HIS 17 HB3 0.03 -0.11 0.14 -0.04 3.20 3.23 2ox3A1 HIS 17 HD2 0.04 0.05 -0.21 -0.04 6.97 6.80 2ox3A1 HIS 17 HE1 0.27 -0.07 0.09 -0.04 7.75 7.99 2ox3A1 ALA 18 H 0.12 0.56 -0.47 -0.55 8.40 8.06 2ox3A1 ALA 18 HA 0.13 0.09 0.64 -0.75 4.34 4.45 2ox3A1 ALA 18 HB3 0.19 0.02 0.15 -0.04 1.41 1.73 2ox3A1 THR 19 H 0.13 0.48 -0.67 -0.55 8.28 7.67 2ox3A1 THR 19 HA 0.07 0.05 0.20 -0.75 4.39 3.96 2ox3A1 THR 19 HB 0.04 -0.05 0.04 -0.04 4.32 4.30 2ox3A1 THR 19 HG23 -0.00 0.02 -0.23 -0.04 1.22 0.96 2ox3A1 GLY 20 H 0.06 0.15 -0.23 -0.55 8.43 7.87 2ox3A1 GLY 20 HA2 0.01 0.03 0.36 -0.51 4.01 3.90 2ox3A1 GLY 20 HA3 0.04 0.06 0.28 -0.51 4.01 3.87 2ox3A1 GLU 21 H 0.12 0.41 -0.14 -0.55 8.60 8.43 2ox3A1 GLU 21 HA 0.04 0.07 0.53 -0.75 4.29 4.17 2ox3A1 GLU 21 HB2 0.35 0.19 0.16 -0.04 2.09 2.75 2ox3A1 GLU 21 HB3 0.21 -0.02 0.01 -0.04 1.99 2.15 2ox3A1 GLU 21 HG2 0.24 0.02 0.06 -0.04 2.34 2.62 2ox3A1 GLU 21 HG3 0.17 -0.08 0.02 -0.04 2.34 2.40 2ox3A1 LEU 22 H -0.06 0.38 -0.13 -0.55 8.37 8.01 2ox3A1 LEU 22 HA -0.71 0.02 0.34 -0.75 4.35 3.25 2ox3A1 LEU 22 HB2 -0.70 0.05 -0.01 -0.04 1.64 0.93 2ox3A1 LEU 22 HB3 -0.22 0.12 0.01 -0.04 1.64 1.52 2ox3A1 LEU 22 HG -0.38 -0.06 -0.21 -0.04 1.64 0.94 2ox3A1 LEU 22 HD13 -0.87 -0.01 -0.03 -0.04 0.93 -0.02 2ox3A1 LEU 22 HD23 -0.07 0.01 -0.12 -0.04 0.89 0.68 2ox3A1 THR 23 H -0.12 0.51 -0.28 -0.55 8.28 7.84 2ox3A1 THR 23 HA -0.17 -0.02 0.34 -0.75 4.39 3.79 2ox3A1 THR 23 HB -0.06 0.17 0.07 -0.04 4.32 4.46 2ox3A1 THR 23 HG23 -0.07 -0.03 -0.12 -0.04 1.22 0.96 2ox3A1 ALA 24 H -0.09 0.39 -0.20 -0.55 8.40 7.96 2ox3A1 ALA 24 HA -0.08 0.02 0.42 -0.75 4.34 3.94 2ox3A1 ALA 24 HB3 -0.04 0.05 0.10 -0.04 1.41 1.48 2ox3A1 LEU 25 H -0.20 0.57 -0.17 -0.55 8.37 8.03 2ox3A1 LEU 25 HA -0.15 0.02 0.35 -0.75 4.35 3.81 2ox3A1 LEU 25 HB2 -0.37 0.10 0.12 -0.04 1.64 1.45 2ox3A1 LEU 25 HB3 -0.26 -0.05 -0.09 -0.04 1.64 1.19 2ox3A1 LEU 25 HG -0.29 0.23 -0.02 -0.04 1.64 1.52 2ox3A1 LEU 25 HD13 -0.59 -0.02 -0.12 -0.04 0.93 0.16 2ox3A1 LEU 25 HD23 -0.12 -0.01 -0.13 -0.04 0.89 0.59 2ox3A1 LEU 26 H -0.31 0.68 -0.07 -0.55 8.37 8.12 2ox3A1 LEU 26 HA -0.41 0.01 0.39 -0.75 4.35 3.59 2ox3A1 LEU 26 HB2 -0.35 0.10 0.04 -0.04 1.64 1.39 2ox3A1 LEU 26 HB3 -0.42 -0.08 -0.05 -0.04 1.64 1.05 2ox3A1 LEU 26 HG -0.46 0.04 -0.03 -0.04 1.64 1.15 2ox3A1 LEU 26 HD13 -0.82 -0.00 -0.13 -0.04 0.93 -0.06 2ox3A1 LEU 26 HD23 -0.46 -0.01 -0.13 -0.04 0.89 0.25 2ox3A1 SER 27 H -0.19 0.56 -0.38 -0.55 8.46 7.90 2ox3A1 SER 27 HA -0.14 -0.07 0.33 -0.75 4.49 3.86 2ox3A1 SER 27 HB2 -0.11 0.18 0.17 -0.04 3.95 4.16 2ox3A1 SER 27 HB3 -0.08 -0.06 -0.03 -0.04 3.93 3.71 2ox3A1 ALA 28 H -0.15 0.48 -0.33 -0.55 8.40 7.85 2ox3A1 ALA 28 HA -0.10 0.02 0.33 -0.75 4.34 3.84 2ox3A1 ALA 28 HB3 -0.11 0.04 -0.07 -0.04 1.41 1.24 2ox3A1 ILE 29 H -0.27 0.43 -0.19 -0.55 8.25 7.67 2ox3A1 ILE 29 HA -0.24 0.01 0.31 -0.75 4.18 3.50 2ox3A1 ILE 29 HB -0.48 0.09 0.11 -0.04 1.89 1.57 2ox3A1 ILE 29 HG12 -0.46 0.28 0.01 -0.04 1.49 1.27 2ox3A1 ILE 29 HG13 -1.22 -0.03 -0.13 -0.04 1.21 -0.21 2ox3A1 ILE 29 HG23 -0.55 -0.01 -0.24 -0.04 0.93 0.09 2ox3A1 ILE 29 HD13 -0.44 -0.02 -0.12 -0.04 0.88 0.26 2ox3A1 LYS 30 H -0.26 0.78 -0.06 -0.55 8.42 8.32 2ox3A1 LYS 30 HA -0.22 -0.00 0.31 -0.75 4.32 3.66 2ox3A1 LYS 30 HB2 -0.24 -0.07 0.01 -0.04 1.87 1.53 2ox3A1 LYS 30 HB3 -0.38 0.04 0.04 -0.04 1.79 1.44 2ox3A1 LYS 30 HG2 -0.13 0.16 0.08 -0.04 1.46 1.53 2ox3A1 LYS 30 HG3 -0.01 0.03 -0.26 -0.04 1.46 1.18 2ox3A1 LYS 30 HD2 0.16 -0.07 -0.05 -0.04 1.69 1.68 2ox3A1 LYS 30 HD3 -0.12 -0.05 -0.07 -0.04 1.68 1.40 2ox3A1 LYS 30 HE2 -0.06 0.02 -0.01 -0.04 2.99 2.90 2ox3A1 LYS 30 HE3 0.02 0.06 -0.03 -0.04 2.99 2.99 2ox3A1 LEU 31 H -0.09 0.54 -0.37 -0.55 8.37 7.91 2ox3A1 LEU 31 HA 0.00 0.01 0.42 -0.75 4.35 4.03 2ox3A1 LEU 31 HB2 -0.04 0.05 0.10 -0.04 1.64 1.71 2ox3A1 LEU 31 HB3 -0.06 0.16 0.16 -0.04 1.64 1.86 2ox3A1 LEU 31 HG -0.04 -0.05 -0.24 -0.04 1.64 1.27 2ox3A1 LEU 31 HD13 -0.01 -0.02 0.02 -0.04 0.93 0.88 2ox3A1 LEU 31 HD23 -0.04 -0.00 -0.03 -0.04 0.89 0.77 2ox3A1 GLY 32 H -0.07 0.62 -0.10 -0.55 8.43 8.33 2ox3A1 GLY 32 HA2 -0.05 -0.01 0.36 -0.51 4.01 3.79 2ox3A1 GLY 32 HA3 -0.05 0.08 0.25 -0.51 4.01 3.78 2ox3A1 ALA 33 H -0.01 0.65 -0.19 -0.55 8.40 8.30 2ox3A1 ALA 33 HA 0.27 -0.03 0.34 -0.75 4.34 4.16 2ox3A1 ALA 33 HB3 0.06 0.02 0.02 -0.04 1.41 1.47 2ox3A1 LYS 34 H 0.06 0.59 -0.27 -0.55 8.42 8.25 2ox3A1 LYS 34 HA -0.05 -0.00 0.44 -0.75 4.32 3.96 2ox3A1 LYS 34 HB2 0.02 0.15 0.18 -0.04 1.87 2.17 2ox3A1 LYS 34 HB3 -0.02 -0.05 -0.04 -0.04 1.79 1.64 2ox3A1 LYS 34 HG2 -0.27 -0.09 -0.05 -0.04 1.46 1.01 2ox3A1 LYS 34 HG3 0.14 0.23 0.00 -0.04 1.46 1.79 2ox3A1 LYS 34 HD2 0.06 -0.00 -0.05 -0.04 1.69 1.66 2ox3A1 LYS 34 HD3 0.06 -0.01 -0.05 -0.04 1.68 1.64 2ox3A1 LYS 34 HE2 0.23 -0.09 -0.21 -0.04 2.99 2.88 2ox3A1 LYS 34 HE3 0.26 -0.06 -0.13 -0.04 2.99 3.02 2ox3A1 ILE 35 H 0.02 0.56 -0.14 -0.55 8.25 8.15 2ox3A1 ILE 35 HA 0.04 0.03 0.43 -0.75 4.18 3.93 2ox3A1 ILE 35 HB -0.04 0.09 0.17 -0.04 1.89 2.07 2ox3A1 ILE 35 HG12 0.00 -0.06 0.00 -0.04 1.49 1.40 2ox3A1 ILE 35 HG13 -0.00 0.15 0.07 -0.04 1.21 1.38 2ox3A1 ILE 35 HG23 -0.01 -0.03 -0.14 -0.04 0.93 0.70 2ox3A1 ILE 35 HD13 -0.06 -0.03 -0.09 -0.04 0.88 0.66 2ox3A1 ILE 36 H 0.05 0.76 -0.03 -0.55 8.25 8.48 2ox3A1 ILE 36 HA 0.19 -0.01 0.38 -0.75 4.18 3.99 2ox3A1 ILE 36 HB -0.01 0.08 0.08 -0.04 1.89 2.00 2ox3A1 ILE 36 HG12 0.00 -0.11 -0.01 -0.04 1.49 1.33 2ox3A1 ILE 36 HG13 -0.03 0.15 0.08 -0.04 1.21 1.37 2ox3A1 ILE 36 HG23 -0.30 -0.02 -0.15 -0.04 0.93 0.42 2ox3A1 ILE 36 HD13 0.05 0.01 -0.04 -0.04 0.88 0.86 2ox3A1 HIS 37 H 0.14 0.59 -0.25 -0.55 8.41 8.34 2ox3A1 HIS 37 HA -0.14 -0.04 0.31 -0.75 4.63 4.00 2ox3A1 HIS 37 HB2 0.21 0.01 0.11 -0.04 3.26 3.55 2ox3A1 HIS 37 HB3 -0.03 0.15 0.16 -0.04 3.20 3.43 2ox3A1 HIS 37 HD2 -0.21 0.02 -0.07 -0.04 6.97 6.66 2ox3A1 HIS 37 HE1 0.08 0.05 -0.05 -0.04 7.75 7.79 2ox3A1 ARG 38 H -0.02 0.43 -0.46 -0.55 8.46 7.85 2ox3A1 ARG 38 HA -0.27 0.00 0.35 -0.75 4.34 3.67 2ox3A1 ARG 38 HB2 -0.04 0.07 0.11 -0.04 1.90 2.00 2ox3A1 ARG 38 HB3 0.00 0.19 0.14 -0.04 1.80 2.09 2ox3A1 ARG 38 HG2 -0.05 -0.01 -0.23 -0.04 1.67 1.33 2ox3A1 ARG 38 HG3 -0.05 -0.04 -0.01 -0.04 1.67 1.53 2ox3A1 ARG 38 HD2 0.01 -0.00 -0.02 -0.04 3.22 3.16 2ox3A1 ARG 38 HD3 0.03 0.01 -0.03 -0.04 3.22 3.19 2ox3A1 ASP 39 H -0.02 0.40 -0.14 -0.55 8.40 8.09 2ox3A1 ASP 39 HA -0.14 0.09 0.46 -0.75 4.63 4.28 2ox3A1 ASP 39 HB2 -0.03 0.08 0.13 -0.04 2.71 2.85 2ox3A1 ASP 39 HB3 -0.29 -0.07 -0.08 -0.04 2.70 2.22 2ox3A1 ILE 40 H -0.12 0.56 -0.18 -0.55 8.25 7.95 2ox3A1 ILE 40 HA -0.09 0.02 0.46 -0.75 4.18 3.82 2ox3A1 ILE 40 HB -0.11 0.09 0.05 -0.04 1.89 1.88 2ox3A1 ILE 40 HG12 -0.12 -0.09 -0.04 -0.04 1.49 1.19 2ox3A1 ILE 40 HG13 -0.18 0.19 -0.04 -0.04 1.21 1.14 2ox3A1 ILE 40 HG23 -0.02 -0.01 -0.15 -0.04 0.93 0.71 2ox3A1 ILE 40 HD13 -0.49 -0.02 -0.14 -0.04 0.88 0.18 2ox3A1 ASN 41 H -0.18 0.75 -0.06 -0.55 8.53 8.50 2ox3A1 ASN 41 HA -0.03 0.04 0.42 -0.75 4.76 4.43 2ox3A1 ASN 41 HB2 -0.39 0.08 0.10 -0.04 2.88 2.63 2ox3A1 ASN 41 HB3 -0.25 0.04 0.01 -0.04 2.79 2.55 2ox3A1 ASN 41 HD21 0.06 -0.03 0.03 -0.04 7.03 7.04 2ox3A1 ASN 41 HD22 -0.08 -0.01 -0.01 -0.04 7.74 7.60 2ox3A1 LYS 42 H -0.09 0.20 -1.19 -0.55 8.42 6.78 2ox3A1 LYS 42 HA -0.05 0.03 0.61 -0.75 4.32 4.17 2ox3A1 LYS 42 HB2 -0.08 0.17 0.04 -0.04 1.87 1.95 2ox3A1 LYS 42 HB3 -0.06 -0.13 0.15 -0.04 1.79 1.72 2ox3A1 LYS 42 HG2 -0.05 0.03 0.01 -0.04 1.46 1.41 2ox3A1 LYS 42 HG3 -0.08 0.02 -0.42 -0.04 1.46 0.94 2ox3A1 LYS 42 HD2 -0.04 -0.07 0.00 -0.04 1.69 1.54 2ox3A1 LYS 42 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.54 2ox3A1 LYS 42 HE2 -0.07 0.10 -0.04 -0.04 2.99 2.95 2ox3A1 LYS 42 HE3 -0.06 -0.00 -0.02 -0.04 2.99 2.86 2ox3A1 ALA 43 H -0.05 0.34 -0.05 -0.55 8.40 8.09 2ox3A1 ALA 43 HA -0.08 0.13 0.55 -0.75 4.34 4.19 2ox3A1 ALA 43 HB3 -0.04 -0.01 0.14 -0.04 1.41 1.46 2ox3A1 GLY 44 H -0.03 0.08 -0.06 -0.55 8.43 7.88 2ox3A1 GLY 44 HA2 -0.02 0.08 0.40 -0.51 4.01 3.95 2ox3A1 GLY 44 HA3 -0.02 0.00 0.26 -0.51 4.01 3.75 2ox3A1 LEU 45 H -0.03 0.02 -0.36 -0.55 8.37 7.45 2ox3A1 LEU 45 HA -0.03 0.04 0.15 -0.75 4.35 3.76 2ox3A1 LEU 45 HB2 -0.04 0.16 0.02 -0.04 1.64 1.73 2ox3A1 LEU 45 HB3 -0.03 -0.02 0.03 -0.04 1.64 1.58 2ox3A1 LEU 45 HG -0.03 -0.09 -0.00 -0.04 1.64 1.49 2ox3A1 LEU 45 HD13 -0.03 0.01 0.03 -0.04 0.93 0.91 2ox3A1 LEU 45 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.79 2ox3A1 GLN 63 HA 0.01 -0.01 0.17 -0.75 4.36 3.78 2ox3A1 GLN 63 HB2 0.00 0.04 0.16 -0.04 2.15 2.31 2ox3A1 GLN 63 HB3 0.01 0.01 0.09 -0.04 2.02 2.08 2ox3A1 GLN 63 HG2 0.00 0.00 0.02 -0.04 2.40 2.39 2ox3A1 GLN 63 HG3 0.00 -0.04 -0.14 -0.04 2.39 2.17 2ox3A1 GLN 63 HE21 0.00 0.03 0.01 -0.04 6.97 6.97 2ox3A1 GLN 63 HE22 0.00 -0.01 0.01 -0.04 7.69 7.65 2ox3A1 LYS 64 H 0.01 -0.07 0.20 -0.55 8.42 8.00 2ox3A1 LYS 64 HA 0.01 0.18 0.69 -0.75 4.32 4.45 2ox3A1 LYS 64 HB2 -0.01 0.11 -0.16 -0.04 1.87 1.78 2ox3A1 LYS 64 HB3 -0.02 -0.05 0.14 -0.04 1.79 1.82 2ox3A1 LYS 64 HG2 -0.01 0.02 0.09 -0.04 1.46 1.51 2ox3A1 LYS 64 HG3 -0.03 0.05 0.02 -0.04 1.46 1.47 2ox3A1 LYS 64 HD2 -0.08 0.03 -0.40 -0.04 1.69 1.20 2ox3A1 LYS 64 HD3 -0.03 -0.12 -0.42 -0.04 1.68 1.07 2ox3A1 LYS 64 HE2 -0.08 0.06 -0.09 -0.04 2.99 2.84 2ox3A1 LYS 64 HE3 -0.15 0.02 -0.12 -0.04 2.99 2.69 2ox3A1 LEU 65 H 0.00 0.22 0.23 -0.55 8.37 8.28 2ox3A1 LEU 65 HA 0.07 0.17 0.59 -0.75 4.35 4.42 2ox3A1 LEU 65 HB2 -0.04 0.10 0.10 -0.04 1.64 1.76 2ox3A1 LEU 65 HB3 0.00 0.01 0.07 -0.04 1.64 1.68 2ox3A1 LEU 65 HG 0.05 -0.05 -0.02 -0.04 1.64 1.57 2ox3A1 LEU 65 HD13 0.01 0.02 -0.01 -0.04 0.93 0.91 2ox3A1 LEU 65 HD23 -0.06 0.03 -0.05 -0.04 0.89 0.77 2ox3A1 ASP 66 H 0.03 0.01 -0.06 -0.55 8.40 7.83 2ox3A1 ASP 66 HA 0.03 0.12 0.41 -0.75 4.63 4.44 2ox3A1 ASP 66 HB2 0.01 -0.01 0.05 -0.04 2.71 2.73 2ox3A1 ASP 66 HB3 0.01 0.03 0.01 -0.04 2.70 2.70 2ox3A1 LEU 67 H 0.04 0.10 -0.34 -0.55 8.37 7.62 2ox3A1 LEU 67 HA 0.02 0.07 0.38 -0.75 4.35 4.07 2ox3A1 LEU 67 HB2 0.02 0.01 -0.01 -0.04 1.64 1.63 2ox3A1 LEU 67 HB3 0.05 0.17 0.02 -0.04 1.64 1.84 2ox3A1 LEU 67 HG 0.05 -0.00 -0.23 -0.04 1.64 1.42 2ox3A1 LEU 67 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 2ox3A1 LEU 67 HD23 0.03 0.02 -0.03 -0.04 0.89 0.87 2ox3A1 PHE 68 H 0.18 0.27 -0.27 -0.55 8.34 7.97 2ox3A1 PHE 68 HA -0.02 0.05 0.41 -0.75 4.62 4.32 2ox3A1 PHE 68 HB2 -0.02 0.08 0.10 -0.04 3.15 3.27 2ox3A1 PHE 68 HB3 -0.03 0.01 0.15 -0.04 3.06 3.15 2ox3A1 PHE 68 HD2 -0.04 -0.00 -0.08 -0.04 7.28 7.13 2ox3A1 PHE 68 HE2 -0.04 0.04 -0.10 -0.04 7.38 7.24 2ox3A1 PHE 68 HZ -0.03 0.04 -0.07 -0.04 7.32 7.22 2ox3A1 ALA 69 H 0.12 0.63 -0.18 -0.55 8.40 8.43 2ox3A1 ALA 69 HA -0.11 0.04 0.40 -0.75 4.34 3.91 2ox3A1 ALA 69 HB3 0.04 0.03 0.02 -0.04 1.41 1.45 2ox3A1 ASN 70 H -0.01 0.48 -0.29 -0.55 8.53 8.17 2ox3A1 ASN 70 HA -0.02 -0.01 0.36 -0.75 4.76 4.34 2ox3A1 ASN 70 HB2 -0.01 0.09 0.14 -0.04 2.88 3.06 2ox3A1 ASN 70 HB3 -0.01 0.12 0.16 -0.04 2.79 3.02 2ox3A1 ASN 70 HD21 -0.01 -0.03 -0.13 -0.04 7.03 6.82 2ox3A1 ASN 70 HD22 -0.01 0.06 -0.09 -0.04 7.74 7.66 2ox3A1 GLU 71 H -0.06 0.63 -0.10 -0.55 8.60 8.52 2ox3A1 GLU 71 HA -0.03 -0.01 0.41 -0.75 4.29 3.90 2ox3A1 GLU 71 HB2 -0.11 0.09 0.15 -0.04 2.09 2.18 2ox3A1 GLU 71 HB3 -0.07 -0.03 -0.01 -0.04 1.99 1.84 2ox3A1 GLU 71 HG2 -0.01 0.15 0.07 -0.04 2.34 2.52 2ox3A1 GLU 71 HG3 -0.01 -0.02 0.00 -0.04 2.34 2.28 2ox3A1 LYS 72 H -0.28 0.59 -0.14 -0.55 8.42 8.04 2ox3A1 LYS 72 HA -0.19 -0.01 0.38 -0.75 4.32 3.75 2ox3A1 LYS 72 HB2 -0.31 0.09 0.15 -0.04 1.87 1.75 2ox3A1 LYS 72 HB3 -0.24 -0.05 0.03 -0.04 1.79 1.49 2ox3A1 LYS 72 HG2 -0.95 0.27 0.12 -0.04 1.46 0.87 2ox3A1 LYS 72 HG3 -1.10 -0.04 -0.06 -0.04 1.46 0.22 2ox3A1 LYS 72 HD2 -0.26 -0.00 -0.01 -0.04 1.69 1.37 2ox3A1 LYS 72 HD3 -0.26 -0.06 -0.03 -0.04 1.68 1.29 2ox3A1 LYS 72 HE2 -0.36 -0.02 -0.02 -0.04 2.99 2.55 2ox3A1 LYS 72 HE3 -0.49 0.02 -0.04 -0.04 2.99 2.44 2ox3A1 LEU 73 H -0.09 0.62 -0.15 -0.55 8.37 8.21 2ox3A1 LEU 73 HA -0.06 0.03 0.46 -0.75 4.35 4.03 2ox3A1 LEU 73 HB2 -0.01 0.10 0.11 -0.04 1.64 1.80 2ox3A1 LEU 73 HB3 -0.00 -0.04 -0.06 -0.04 1.64 1.49 2ox3A1 LEU 73 HG -0.03 0.02 0.03 -0.04 1.64 1.62 2ox3A1 LEU 73 HD13 0.03 -0.00 -0.06 -0.04 0.93 0.86 2ox3A1 LEU 73 HD23 -0.04 -0.01 -0.03 -0.04 0.89 0.76 2ox3A1 LYS 74 H -0.01 0.52 -0.15 -0.55 8.42 8.23 2ox3A1 LYS 74 HA 0.17 0.00 0.39 -0.75 4.32 4.13 2ox3A1 LYS 74 HB2 0.03 0.13 0.20 -0.04 1.87 2.19 2ox3A1 LYS 74 HB3 0.16 -0.06 -0.04 -0.04 1.79 1.81 2ox3A1 LYS 74 HG2 0.11 -0.08 -0.03 -0.04 1.46 1.42 2ox3A1 LYS 74 HG3 0.05 0.07 0.04 -0.04 1.46 1.58 2ox3A1 LYS 74 HD2 0.02 -0.10 -0.11 -0.04 1.69 1.46 2ox3A1 LYS 74 HD3 0.02 0.04 -0.22 -0.04 1.68 1.47 2ox3A1 LYS 74 HE2 0.08 0.03 -0.05 -0.04 2.99 3.01 2ox3A1 LYS 74 HE3 0.07 -0.04 -0.07 -0.04 2.99 2.92 2ox3A1 ALA 75 H -0.05 0.68 -0.04 -0.55 8.40 8.44 2ox3A1 ALA 75 HA -0.14 -0.01 0.37 -0.75 4.34 3.81 2ox3A1 ALA 75 HB3 -0.08 0.02 0.06 -0.04 1.41 1.37 2ox3A1 ALA 76 H -0.08 0.50 -0.23 -0.55 8.40 8.05 2ox3A1 ALA 76 HA -0.08 0.02 0.40 -0.75 4.34 3.92 2ox3A1 ALA 76 HB3 -0.07 0.02 0.10 -0.04 1.41 1.42 2ox3A1 LEU 77 H -0.04 0.53 -0.22 -0.55 8.37 8.10 2ox3A1 LEU 77 HA -0.03 0.01 0.43 -0.75 4.35 4.02 2ox3A1 LEU 77 HB2 0.16 0.15 0.14 -0.04 1.64 2.05 2ox3A1 LEU 77 HB3 0.22 -0.10 -0.04 -0.04 1.64 1.67 2ox3A1 LEU 77 HG -0.02 0.09 -0.01 -0.04 1.64 1.67 2ox3A1 LEU 77 HD13 0.07 -0.02 -0.12 -0.04 0.93 0.82 2ox3A1 LEU 77 HD23 -0.04 -0.02 -0.04 -0.04 0.89 0.75 2ox3A1 LYS 78 H -0.30 0.53 -0.19 -0.55 8.42 7.91 2ox3A1 LYS 78 HA -0.70 0.02 0.46 -0.75 4.32 3.35 2ox3A1 LYS 78 HB2 -1.68 -0.04 0.04 -0.04 1.87 0.16 2ox3A1 LYS 78 HB3 -0.47 0.10 0.12 -0.04 1.79 1.50 2ox3A1 LYS 78 HG2 -0.30 0.03 -0.22 -0.04 1.46 0.93 2ox3A1 LYS 78 HG3 -0.52 -0.02 0.03 -0.04 1.46 0.90 2ox3A1 LYS 78 HD2 -0.45 -0.07 -0.02 -0.04 1.69 1.11 2ox3A1 LYS 78 HD3 -0.25 -0.01 -0.03 -0.04 1.68 1.34 2ox3A1 LYS 78 HE2 -0.10 -0.00 -0.03 -0.04 2.99 2.81 2ox3A1 LYS 78 HE3 -0.10 0.10 -0.03 -0.04 2.99 2.91 2ox3A1 ALA 79 H -0.17 0.53 -0.19 -0.55 8.40 8.02 2ox3A1 ALA 79 HA -0.10 0.03 0.39 -0.75 4.34 3.91 2ox3A1 ALA 79 HB3 -0.08 0.01 0.10 -0.04 1.41 1.40 2ox3A1 ARG 80 H -0.07 0.30 -0.47 -0.55 8.46 7.67 2ox3A1 ARG 80 HA -0.03 0.12 0.65 -0.75 4.34 4.33 2ox3A1 ARG 80 HB2 -0.03 0.00 -0.01 -0.04 1.90 1.83 2ox3A1 ARG 80 HB3 -0.02 -0.07 0.02 -0.04 1.80 1.68 2ox3A1 ARG 80 HG2 -0.06 0.18 -0.00 -0.04 1.67 1.75 2ox3A1 ARG 80 HG3 -0.07 0.12 0.03 -0.04 1.67 1.71 2ox3A1 ARG 80 HD2 -0.05 -0.06 0.02 -0.04 3.22 3.09 2ox3A1 ARG 80 HD3 -0.04 0.05 -0.05 -0.04 3.22 3.14 2ox3A1 ASP 81 H -0.04 0.40 -0.32 -0.55 8.40 7.90 2ox3A1 ASP 81 HA 0.03 0.05 0.32 -0.75 4.63 4.28 2ox3A1 ASP 81 HB2 0.04 0.03 -0.07 -0.04 2.71 2.67 2ox3A1 ASP 81 HB3 0.06 0.10 -0.28 -0.04 2.70 2.55 2ox3A1 ILE 82 H 0.06 -0.03 -0.09 -0.55 8.25 7.65 2ox3A1 ILE 82 HA 0.15 0.16 0.81 -0.75 4.18 4.55 2ox3A1 ILE 82 HB 0.05 0.19 -0.29 -0.04 1.89 1.79 2ox3A1 ILE 82 HG12 0.13 0.06 0.09 -0.04 1.49 1.73 2ox3A1 ILE 82 HG13 0.04 -0.03 0.02 -0.04 1.21 1.20 2ox3A1 ILE 82 HG23 0.02 -0.02 -0.27 -0.04 0.93 0.62 2ox3A1 ILE 82 HD13 0.21 -0.04 0.07 -0.04 0.88 1.07 2ox3A1 VAL 83 H 0.13 0.05 0.13 -0.55 8.24 8.01 2ox3A1 VAL 83 HA 0.19 0.18 0.95 -0.75 4.13 4.70 2ox3A1 VAL 83 HB 0.35 0.02 -0.05 -0.04 2.12 2.40 2ox3A1 VAL 83 HG13 0.16 -0.06 -0.12 -0.04 0.97 0.90 2ox3A1 VAL 83 HG23 0.11 -0.00 -0.16 -0.04 0.95 0.86 2ox3A1 ALA 84 H 0.09 0.74 0.32 -0.55 8.40 9.00 2ox3A1 ALA 84 HA 0.04 0.18 0.59 -0.75 4.34 4.40 2ox3A1 ALA 84 HB3 -0.01 0.02 -0.04 -0.04 1.41 1.34 2ox3A1 GLY 85 H 0.01 0.29 0.17 -0.55 8.43 8.35 2ox3A1 GLY 85 HA2 -0.78 0.03 0.48 -0.51 4.01 3.22 2ox3A1 GLY 85 HA3 -0.06 0.04 0.45 -0.51 4.01 3.92 2ox3A1 ILE 86 H -0.39 0.46 0.34 -0.55 8.25 8.11 2ox3A1 ILE 86 HA 0.22 0.26 1.15 -0.75 4.18 5.06 2ox3A1 ILE 86 HB 0.06 0.12 0.08 -0.04 1.89 2.11 2ox3A1 ILE 86 HG12 0.04 0.02 -0.06 -0.04 1.49 1.44 2ox3A1 ILE 86 HG13 -0.24 -0.07 0.09 -0.04 1.21 0.95 2ox3A1 ILE 86 HG23 -0.01 -0.02 -0.21 -0.04 0.93 0.65 2ox3A1 ILE 86 HD13 -0.02 -0.02 -0.37 -0.04 0.88 0.44 2ox3A1 ALA 87 H 0.11 0.78 0.45 -0.55 8.40 9.20 2ox3A1 ALA 87 HA -0.24 0.09 0.87 -0.75 4.34 4.31 2ox3A1 ALA 87 HB3 -0.25 0.01 0.01 -0.04 1.41 1.13 2ox3A1 SER 88 H -0.05 0.28 0.14 -0.55 8.46 8.29 2ox3A1 SER 88 HA -0.10 0.26 1.09 -0.75 4.49 4.98 2ox3A1 SER 88 HB2 -0.03 0.10 -0.08 -0.04 3.95 3.90 2ox3A1 SER 88 HB3 -0.07 -0.00 0.06 -0.04 3.93 3.88 2ox3A1 GLU 89 H -0.47 0.25 0.25 -0.55 8.60 8.08 2ox3A1 GLU 89 HA -0.92 0.15 0.45 -0.75 4.29 3.22 2ox3A1 GLU 89 HB2 -0.59 0.04 0.16 -0.04 2.09 1.67 2ox3A1 GLU 89 HB3 -0.25 -0.05 0.16 -0.04 1.99 1.81 2ox3A1 GLU 89 HG2 -0.11 -0.00 -0.05 -0.04 2.34 2.13 2ox3A1 GLU 89 HG3 -0.14 0.05 0.12 -0.04 2.34 2.33 2ox3A1 GLU 90 H -0.15 -0.03 -0.33 -0.55 8.60 7.53 2ox3A1 GLU 90 HA -0.05 0.15 0.55 -0.75 4.29 4.19 2ox3A1 GLU 90 HB2 -0.04 0.01 -0.05 -0.04 2.09 1.96 2ox3A1 GLU 90 HB3 -0.03 0.01 0.04 -0.04 1.99 1.97 2ox3A1 GLU 90 HG2 -0.07 -0.10 0.03 -0.04 2.34 2.17 2ox3A1 GLU 90 HG3 -0.03 0.07 -0.02 -0.04 2.34 2.32 2ox3A1 GLU 91 H -0.06 0.36 -0.36 -0.55 8.60 7.99 2ox3A1 GLU 91 HA -0.02 0.14 0.95 -0.75 4.29 4.61 2ox3A1 GLU 91 HB2 -0.03 0.09 0.06 -0.04 2.09 2.16 2ox3A1 GLU 91 HB3 -0.02 -0.03 0.04 -0.04 1.99 1.94 2ox3A1 GLU 91 HG2 -0.03 -0.15 -0.35 -0.04 2.34 1.76 2ox3A1 GLU 91 HG3 -0.04 -0.06 -0.04 -0.04 2.34 2.16 2ox3A1 ASP 92 H -0.01 0.08 0.16 -0.55 8.40 8.07 2ox3A1 ASP 92 HA -0.08 0.11 0.47 -0.75 4.63 4.38 2ox3A1 ASP 92 HB2 -0.02 -0.06 0.18 -0.04 2.71 2.77 2ox3A1 ASP 92 HB3 -0.02 -0.00 -0.03 -0.04 2.70 2.61 2ox3A1 GLU 93 H -0.01 0.01 0.03 -0.55 8.60 8.09 2ox3A1 GLU 93 HA -0.00 0.17 0.82 -0.75 4.29 4.52 2ox3A1 GLU 93 HB2 -0.03 0.10 0.01 -0.04 2.09 2.13 2ox3A1 GLU 93 HB3 -0.03 -0.05 0.16 -0.04 1.99 2.03 2ox3A1 GLU 93 HG2 -0.01 -0.11 -0.01 -0.04 2.34 2.16 2ox3A1 GLU 93 HG3 -0.01 0.04 0.01 -0.04 2.34 2.34 2ox3A1 ILE 94 H -0.11 0.05 0.12 -0.55 8.25 7.77 2ox3A1 ILE 94 HA -0.33 0.15 0.65 -0.75 4.18 3.89 2ox3A1 ILE 94 HB -0.74 0.09 -0.12 -0.04 1.89 1.08 2ox3A1 ILE 94 HG12 -0.10 -0.08 0.02 -0.04 1.49 1.28 2ox3A1 ILE 94 HG13 -0.12 0.02 -0.42 -0.04 1.21 0.65 2ox3A1 ILE 94 HG23 -0.47 -0.02 -0.09 -0.04 0.93 0.31 2ox3A1 ILE 94 HD13 0.06 0.00 -0.31 -0.04 0.88 0.60 2ox3A1 VAL 95 H -0.28 0.86 0.33 -0.55 8.24 8.60 2ox3A1 VAL 95 HA -0.09 0.15 0.93 -0.75 4.13 4.36 2ox3A1 VAL 95 HB -0.23 -0.09 0.17 -0.04 2.12 1.92 2ox3A1 VAL 95 HG13 0.01 0.01 -0.16 -0.04 0.97 0.78 2ox3A1 VAL 95 HG23 -0.06 0.01 -0.12 -0.04 0.95 0.74 2ox3A1 VAL 96 H -0.05 0.19 0.11 -0.55 8.24 7.94 2ox3A1 VAL 96 HA -0.10 0.17 0.85 -0.75 4.13 4.30 2ox3A1 VAL 96 HB 0.01 -0.04 0.11 -0.04 2.12 2.16 2ox3A1 VAL 96 HG13 0.02 0.00 -0.16 -0.04 0.97 0.80 2ox3A1 VAL 96 HG23 0.00 0.01 -0.11 -0.04 0.95 0.81 2ox3A1 PHE 97 H -0.06 0.60 0.24 -0.55 8.34 8.57 2ox3A1 PHE 97 HA 0.01 0.05 0.66 -0.75 4.62 4.58 2ox3A1 PHE 97 HB2 -0.00 0.15 0.07 -0.04 3.15 3.32 2ox3A1 PHE 97 HB3 -0.01 0.05 -0.05 -0.04 3.06 3.02 2ox3A1 PHE 97 HD2 0.01 0.16 -0.21 -0.04 7.28 7.19 2ox3A1 PHE 97 HE2 0.01 -0.03 -0.21 -0.04 7.38 7.10 2ox3A1 PHE 97 HZ 0.01 0.01 -0.05 -0.04 7.32 7.25 2ox3A1 GLU 98 H 0.15 0.20 0.20 -0.55 8.60 8.60 2ox3A1 GLU 98 HA 0.06 -0.01 0.44 -0.75 4.29 4.03 2ox3A1 GLU 98 HB2 0.06 0.04 0.15 -0.04 2.09 2.29 2ox3A1 GLU 98 HB3 0.05 0.02 0.15 -0.04 1.99 2.16 2ox3A1 GLU 98 HG2 0.04 0.03 -0.14 -0.04 2.34 2.22 2ox3A1 GLU 98 HG3 0.04 -0.03 0.06 -0.04 2.34 2.37 2ox3A1 GLY 99 H 0.05 0.10 0.23 -0.55 8.43 8.27 2ox3A1 GLY 99 HA2 0.06 -0.00 0.38 -0.51 4.01 3.94 2ox3A1 GLY 99 HA3 0.05 0.21 0.72 -0.51 4.01 4.48 2ox3A1 CYS 100 H 0.04 0.52 -0.12 -0.55 8.50 8.40 2ox3A1 CYS 100 HA -0.38 0.20 0.92 -0.75 4.58 4.56 2ox3A1 CYS 100 HB2 0.12 0.16 0.14 -0.04 2.97 3.35 2ox3A1 CYS 100 HB3 -0.06 -0.00 0.14 -0.04 2.97 3.01 2ox3A1 GLU 101 H -0.00 0.02 -0.07 -0.55 8.60 8.00 2ox3A1 GLU 101 HA -0.01 0.12 0.28 -0.75 4.29 3.92 2ox3A1 GLU 101 HB2 0.04 -0.05 -0.06 -0.04 2.09 1.99 2ox3A1 GLU 101 HB3 0.02 0.25 -0.36 -0.04 1.99 1.86 2ox3A1 GLU 101 HG2 0.03 0.06 -0.03 -0.04 2.34 2.36 2ox3A1 GLU 101 HG3 0.02 -0.01 -0.10 -0.04 2.34 2.21 2ox3A1 HIS 102 H -0.21 -0.03 -0.87 -0.55 8.41 6.75 2ox3A1 HIS 102 HA 0.01 -0.07 0.66 -0.75 4.63 4.48 2ox3A1 HIS 102 HB2 0.02 -0.00 0.04 -0.04 3.26 3.27 2ox3A1 HIS 102 HB3 0.02 -0.05 -0.00 -0.04 3.20 3.13 2ox3A1 HIS 102 HD2 0.03 0.01 0.01 -0.04 6.97 6.97 2ox3A1 HIS 102 HE1 0.04 0.22 -0.04 -0.04 7.75 7.94 2ox3A1 ALA 103 H -0.44 0.54 -0.10 -0.55 8.40 7.85 2ox3A1 ALA 103 HA 0.07 0.03 0.33 -0.75 4.34 4.02 2ox3A1 ALA 103 HB3 -0.04 0.02 -0.34 -0.04 1.41 1.01 2ox3A1 LYS 104 H 0.00 0.16 0.19 -0.55 8.42 8.23 2ox3A1 LYS 104 HA -0.10 0.25 0.92 -0.75 4.32 4.64 2ox3A1 LYS 104 HB2 -0.25 -0.01 0.23 -0.04 1.87 1.80 2ox3A1 LYS 104 HB3 -0.11 0.08 0.01 -0.04 1.79 1.73 2ox3A1 LYS 104 HG2 -0.13 -0.02 0.13 -0.04 1.46 1.40 2ox3A1 LYS 104 HG3 -0.70 -0.01 -0.01 -0.04 1.46 0.70 2ox3A1 LYS 104 HD2 -0.16 -0.00 0.04 -0.04 1.69 1.53 2ox3A1 LYS 104 HD3 -0.06 0.03 0.03 -0.04 1.68 1.65 2ox3A1 LYS 104 HE2 0.04 0.01 0.04 -0.04 2.99 3.04 2ox3A1 LYS 104 HE3 -0.04 -0.01 0.03 -0.04 2.99 2.93 2ox3A1 TYR 105 H 0.09 0.14 0.15 -0.55 8.29 8.12 2ox3A1 TYR 105 HA 0.03 0.27 1.15 -0.75 4.56 5.26 2ox3A1 TYR 105 HB2 0.08 0.06 0.15 -0.04 3.06 3.30 2ox3A1 TYR 105 HB3 0.10 0.06 0.06 -0.04 2.98 3.15 2ox3A1 TYR 105 HD2 0.11 0.13 -0.01 -0.04 7.15 7.34 2ox3A1 TYR 105 HE2 0.05 -0.01 -0.03 -0.04 6.85 6.83 2ox3A1 VAL 106 H 0.16 0.73 0.37 -0.55 8.24 8.96 2ox3A1 VAL 106 HA 0.06 0.15 1.00 -0.75 4.13 4.59 2ox3A1 VAL 106 HB -0.53 0.01 -0.07 -0.04 2.12 1.49 2ox3A1 VAL 106 HG13 -0.31 -0.05 -0.26 -0.04 0.97 0.32 2ox3A1 VAL 106 HG23 -0.26 0.03 -0.20 -0.04 0.95 0.48 2ox3A1 VAL 107 H 0.22 0.42 0.37 -0.55 8.24 8.70 2ox3A1 VAL 107 HA 0.22 0.37 1.26 -0.75 4.13 5.23 2ox3A1 VAL 107 HB 0.15 -0.08 0.10 -0.04 2.12 2.25 2ox3A1 VAL 107 HG13 0.17 0.01 -0.07 -0.04 0.97 1.04 2ox3A1 VAL 107 HG23 0.11 -0.01 -0.21 -0.04 0.95 0.80 2ox3A1 LEU 108 H 0.25 0.78 0.35 -0.55 8.37 9.20 2ox3A1 LEU 108 HA 0.27 0.24 0.89 -0.75 4.35 5.00 2ox3A1 LEU 108 HB2 0.20 0.06 0.12 -0.04 1.64 1.97 2ox3A1 LEU 108 HB3 0.11 -0.02 0.01 -0.04 1.64 1.70 2ox3A1 LEU 108 HG 0.28 -0.08 -0.06 -0.04 1.64 1.73 2ox3A1 LEU 108 HD13 0.32 -0.04 -0.25 -0.04 0.93 0.91 2ox3A1 LEU 108 HD23 -0.15 0.05 -0.05 -0.04 0.89 0.70 2ox3A1 ASP 110 HA -0.05 -0.19 0.31 -0.75 4.63 3.93 2ox3A1 ASP 110 HB2 0.03 0.14 0.05 -0.04 2.71 2.90 2ox3A1 ASP 110 HB3 0.03 -0.06 0.23 -0.04 2.70 2.86 2ox3A1 PRO 111 HA 0.06 0.11 0.43 -0.51 4.44 4.53 2ox3A1 PRO 111 HB2 0.01 0.02 -0.08 -0.04 2.28 2.19 2ox3A1 PRO 111 HB3 0.01 0.06 -0.02 -0.04 2.02 2.02 2ox3A1 PRO 111 HG2 -0.02 -0.04 0.11 -0.04 2.03 2.04 2ox3A1 PRO 111 HG3 -0.03 -0.02 0.10 -0.04 2.03 2.05 2ox3A1 PRO 111 HD2 -0.07 -0.05 0.27 -0.04 3.68 3.79 2ox3A1 PRO 111 HD3 -0.03 0.13 0.23 -0.04 3.65 3.95 2ox3A1 LEU 112 H 0.02 0.06 -0.22 -0.55 8.37 7.68 2ox3A1 LEU 112 HA 0.10 0.46 0.93 -0.75 4.35 5.08 2ox3A1 LEU 112 HB2 0.04 -0.01 -0.23 -0.04 1.64 1.41 2ox3A1 LEU 112 HB3 0.03 -0.14 0.10 -0.04 1.64 1.59 2ox3A1 LEU 112 HG 0.04 -0.05 -0.21 -0.04 1.64 1.38 2ox3A1 LEU 112 HD13 0.05 0.08 -0.03 -0.04 0.93 0.98 2ox3A1 LEU 112 HD23 0.02 0.01 -0.23 -0.04 0.89 0.64 2ox3A1 ASP 113 H 0.07 0.84 0.20 -0.55 8.40 8.96 2ox3A1 ASP 113 HA 0.00 0.03 0.73 -0.75 4.63 4.64 2ox3A1 ASP 113 HB2 -0.02 0.11 0.02 -0.04 2.71 2.79 2ox3A1 ASP 113 HB3 0.01 0.09 0.02 -0.04 2.70 2.78 2ox3A1 GLY 114 H 0.01 0.08 0.28 -0.55 8.43 8.26 2ox3A1 GLY 114 HA2 0.02 0.14 0.44 -0.51 4.01 4.10 2ox3A1 GLY 114 HA3 0.02 0.23 0.99 -0.51 4.01 4.74 2ox3A1 SER 115 H 0.02 0.05 0.22 -0.55 8.46 8.20 2ox3A1 SER 115 HA 0.02 0.07 0.39 -0.75 4.49 4.21 2ox3A1 SER 115 HB2 0.02 0.08 0.08 -0.04 3.95 4.08 2ox3A1 SER 115 HB3 0.02 0.07 0.19 -0.04 3.93 4.17 2ox3A1 SER 116 H 0.03 0.07 -0.22 -0.55 8.46 7.79 2ox3A1 SER 116 HA 0.03 0.10 0.46 -0.75 4.49 4.32 2ox3A1 SER 116 HB2 0.04 0.04 0.16 -0.04 3.95 4.16 2ox3A1 SER 116 HB3 0.05 -0.03 0.10 -0.04 3.93 4.01 2ox3A1 ASN 117 H 0.02 0.40 -0.60 -0.55 8.53 7.81 2ox3A1 ASN 117 HA 0.02 0.19 1.00 -0.75 4.76 5.22 2ox3A1 ASN 117 HB2 0.03 0.17 -0.03 -0.04 2.88 3.00 2ox3A1 ASN 117 HB3 0.02 0.08 -0.16 -0.04 2.79 2.69 2ox3A1 ASN 117 HD21 -0.01 -0.13 -0.63 -0.04 7.03 6.23 2ox3A1 ASN 117 HD22 0.01 -0.03 -0.09 -0.04 7.74 7.60 2ox3A1 ILE 118 H 0.01 0.23 0.04 -0.55 8.25 7.99 2ox3A1 ILE 118 HA 0.01 0.17 0.40 -0.75 4.18 4.01 2ox3A1 ILE 118 HB -0.00 0.00 0.18 -0.04 1.89 2.03 2ox3A1 ILE 118 HG12 0.01 0.02 0.05 -0.04 1.49 1.53 2ox3A1 ILE 118 HG13 -0.00 -0.11 0.04 -0.04 1.21 1.09 2ox3A1 ILE 118 HG23 -0.02 0.00 -0.10 -0.04 0.93 0.77 2ox3A1 ILE 118 HD13 -0.01 0.03 -0.05 -0.04 0.88 0.80 2ox3A1 ASP 119 H 0.00 0.12 -0.10 -0.55 8.40 7.87 2ox3A1 ASP 119 HA -0.01 0.13 0.40 -0.75 4.63 4.40 2ox3A1 ASP 119 HB2 0.01 0.02 -0.07 -0.04 2.71 2.63 2ox3A1 ASP 119 HB3 -0.00 0.04 0.04 -0.04 2.70 2.74 2ox3A1 VAL 120 H 0.01 0.13 -0.53 -0.55 8.24 7.30 2ox3A1 VAL 120 HA 0.01 0.21 0.81 -0.75 4.13 4.40 2ox3A1 VAL 120 HB 0.02 0.00 0.14 -0.04 2.12 2.24 2ox3A1 VAL 120 HG13 0.01 -0.02 -0.07 -0.04 0.97 0.85 2ox3A1 VAL 120 HG23 0.02 -0.03 0.00 -0.04 0.95 0.90 2ox3A1 ASN 121 H 0.01 0.31 -0.34 -0.55 8.53 7.96 2ox3A1 ASN 121 HA 0.02 0.08 0.28 -0.75 4.76 4.38 2ox3A1 ASN 121 HB2 0.01 -0.03 -0.13 -0.04 2.88 2.68 2ox3A1 ASN 121 HB3 0.02 0.15 -0.05 -0.04 2.79 2.86 2ox3A1 ASN 121 HD21 0.02 -0.03 0.03 -0.04 7.03 7.02 2ox3A1 ASN 121 HD22 0.02 -0.00 0.03 -0.04 7.74 7.75 2ox3A1 VAL 122 H 0.02 0.31 -0.21 -0.55 8.24 7.81 2ox3A1 VAL 122 HA 0.03 0.09 0.76 -0.75 4.13 4.26 2ox3A1 VAL 122 HB 0.02 -0.02 0.05 -0.04 2.12 2.14 2ox3A1 VAL 122 HG13 0.02 0.03 -0.04 -0.04 0.97 0.94 2ox3A1 VAL 122 HG23 0.02 0.04 -0.08 -0.04 0.95 0.89 2ox3A1 SER 123 H 0.04 0.03 0.12 -0.55 8.46 8.10 2ox3A1 SER 123 HA 0.08 0.30 0.42 -0.75 4.49 4.53 2ox3A1 SER 123 HB2 0.03 -0.11 0.07 -0.04 3.95 3.90 2ox3A1 SER 123 HB3 0.04 -0.03 -0.10 -0.04 3.93 3.79 2ox3A1 VAL 124 H 0.15 0.44 0.30 -0.55 8.24 8.58 2ox3A1 VAL 124 HA 0.06 0.08 0.78 -0.75 4.13 4.30 2ox3A1 VAL 124 HB 0.10 -0.05 0.01 -0.04 2.12 2.14 2ox3A1 VAL 124 HG13 0.04 0.05 -0.21 -0.04 0.97 0.81 2ox3A1 VAL 124 HG23 0.14 0.01 -0.11 -0.04 0.95 0.94 2ox3A1 GLY 125 H 0.11 0.46 0.33 -0.55 8.43 8.78 2ox3A1 GLY 125 HA2 0.13 0.13 0.82 -0.51 4.01 4.58 2ox3A1 GLY 125 HA3 0.03 -0.00 0.48 -0.51 4.01 4.01 2ox3A1 THR 126 H 0.05 0.59 0.47 -0.55 8.28 8.84 2ox3A1 THR 126 HA 0.13 0.29 0.89 -0.75 4.39 4.94 2ox3A1 THR 126 HB 0.12 -0.15 0.14 -0.04 4.32 4.39 2ox3A1 THR 126 HG23 0.14 0.00 -0.14 -0.04 1.22 1.18 2ox3A1 ILE 127 H 0.10 0.68 0.31 -0.55 8.25 8.80 2ox3A1 ILE 127 HA 0.10 0.20 1.27 -0.75 4.18 5.00 2ox3A1 ILE 127 HB 0.03 0.10 0.20 -0.04 1.89 2.18 2ox3A1 ILE 127 HG12 -0.08 0.02 -0.06 -0.04 1.49 1.33 2ox3A1 ILE 127 HG13 -0.01 -0.17 -0.23 -0.04 1.21 0.75 2ox3A1 ILE 127 HG23 -0.06 0.02 0.05 -0.04 0.93 0.90 2ox3A1 ILE 127 HD13 -0.11 -0.03 -0.01 -0.04 0.88 0.69 2ox3A1 PHE 128 H -0.20 0.58 0.41 -0.55 8.34 8.58 2ox3A1 PHE 128 HA 0.06 0.33 1.10 -0.75 4.62 5.36 2ox3A1 PHE 128 HB2 0.02 -0.00 0.01 -0.04 3.15 3.14 2ox3A1 PHE 128 HB3 0.02 -0.00 -0.18 -0.04 3.06 2.85 2ox3A1 PHE 128 HD2 -0.02 -0.00 -0.35 -0.04 7.28 6.87 2ox3A1 PHE 128 HE2 -0.10 0.01 -0.29 -0.04 7.38 6.96 2ox3A1 PHE 128 HZ -0.11 0.03 -0.20 -0.04 7.32 6.99 2ox3A1 SER 129 H 0.22 0.69 0.32 -0.55 8.46 9.15 2ox3A1 SER 129 HA -0.02 0.16 1.03 -0.75 4.49 4.91 2ox3A1 SER 129 HB2 0.04 0.02 -0.05 -0.04 3.95 3.92 2ox3A1 SER 129 HB3 0.15 -0.07 0.16 -0.04 3.93 4.13 2ox3A1 ILE 130 H 0.01 0.82 0.39 -0.55 8.25 8.92 2ox3A1 ILE 130 HA 0.17 0.28 1.29 -0.75 4.18 5.17 2ox3A1 ILE 130 HB 0.14 -0.07 0.12 -0.04 1.89 2.04 2ox3A1 ILE 130 HG12 0.18 0.05 -0.23 -0.04 1.49 1.45 2ox3A1 ILE 130 HG13 0.31 -0.05 -0.37 -0.04 1.21 1.06 2ox3A1 ILE 130 HG23 0.13 0.01 -0.09 -0.04 0.93 0.94 2ox3A1 ILE 130 HD13 0.02 -0.01 -0.17 -0.04 0.88 0.69 2ox3A1 TYR 131 H 0.26 0.59 0.38 -0.55 8.29 8.96 2ox3A1 TYR 131 HA 0.06 0.13 1.01 -0.75 4.56 5.01 2ox3A1 TYR 131 HB2 -0.07 -0.05 -0.02 -0.04 3.06 2.88 2ox3A1 TYR 131 HB3 -0.06 0.17 -0.04 -0.04 2.98 3.02 2ox3A1 TYR 131 HD2 -0.02 0.02 -0.26 -0.04 7.15 6.86 2ox3A1 TYR 131 HE2 -0.04 0.06 -0.24 -0.04 6.85 6.58 2ox3A1 ARG 132 H 0.14 0.26 0.21 -0.55 8.46 8.52 2ox3A1 ARG 132 HA -0.00 0.14 0.95 -0.75 4.34 4.67 2ox3A1 ARG 132 HB2 0.01 -0.05 0.16 -0.04 1.90 1.98 2ox3A1 ARG 132 HB3 -0.04 0.04 0.11 -0.04 1.80 1.88 2ox3A1 ARG 132 HG2 -0.23 0.15 0.18 -0.04 1.67 1.73 2ox3A1 ARG 132 HG3 -0.40 -0.06 0.13 -0.04 1.67 1.29 2ox3A1 ARG 132 HD2 -0.12 -0.04 0.05 -0.04 3.22 3.07 2ox3A1 ARG 132 HD3 -0.10 0.02 0.04 -0.04 3.22 3.13 2ox3A1 ARG 133 H -0.11 0.44 0.11 -0.55 8.46 8.34 2ox3A1 ARG 133 HA -0.14 -0.01 0.32 -0.75 4.34 3.76 2ox3A1 ARG 133 HB2 -0.11 -0.15 -0.02 -0.04 1.90 1.57 2ox3A1 ARG 133 HB3 -0.11 -0.07 -0.16 -0.04 1.80 1.42 2ox3A1 ARG 133 HG2 -0.12 0.08 0.06 -0.04 1.67 1.64 2ox3A1 ARG 133 HG3 -0.09 0.10 -0.32 -0.04 1.67 1.32 2ox3A1 ARG 133 HD2 -0.07 0.00 -0.01 -0.04 3.22 3.10 2ox3A1 ARG 133 HD3 -0.06 -0.03 -0.08 -0.04 3.22 3.02 2ox3A1 VAL 134 H -0.11 -0.09 0.15 -0.55 8.24 7.64 2ox3A1 VAL 134 HA -0.06 0.24 0.80 -0.75 4.13 4.35 2ox3A1 VAL 134 HB -0.05 -0.01 0.00 -0.04 2.12 2.02 2ox3A1 VAL 134 HG13 -0.08 0.03 -0.05 -0.04 0.97 0.83 2ox3A1 VAL 134 HG23 -0.07 -0.03 -0.17 -0.04 0.95 0.64 2ox3A1 THR 135 H -0.07 -0.16 0.04 -0.55 8.28 7.54 2ox3A1 THR 135 HA -0.03 0.09 0.41 -0.75 4.39 4.11 2ox3A1 THR 135 HB -0.02 0.15 -0.03 -0.04 4.32 4.38 2ox3A1 THR 135 HG23 -0.03 -0.04 0.00 -0.04 1.22 1.10 2ox3A1 PRO 136 HA -0.02 0.00 0.40 -0.51 4.44 4.30 2ox3A1 PRO 136 HB2 -0.01 0.01 0.07 -0.04 2.28 2.31 2ox3A1 PRO 136 HB3 -0.01 0.01 0.10 -0.04 2.02 2.07 2ox3A1 PRO 136 HG2 -0.01 -0.01 0.08 -0.04 2.03 2.04 2ox3A1 PRO 136 HG3 -0.02 0.06 0.09 -0.04 2.03 2.13 2ox3A1 PRO 136 HD2 -0.02 0.06 0.15 -0.04 3.68 3.83 2ox3A1 PRO 136 HD3 -0.02 0.11 0.22 -0.04 3.65 3.91 2ox3A1 VAL 137 H -0.02 0.02 0.14 -0.55 8.24 7.83 2ox3A1 VAL 137 HA -0.01 0.26 0.41 -0.75 4.13 4.04 2ox3A1 VAL 137 HB 0.02 0.04 0.18 -0.04 2.12 2.32 2ox3A1 VAL 137 HG13 -0.02 0.01 0.04 -0.04 0.97 0.95 2ox3A1 VAL 137 HG23 0.01 -0.04 -0.08 -0.04 0.95 0.80 2ox3A1 GLY 138 H 0.04 0.38 0.20 -0.55 8.43 8.49 2ox3A1 GLY 138 HA2 0.05 -0.13 0.22 -0.51 4.01 3.64 2ox3A1 GLY 138 HA3 0.02 0.00 0.39 -0.51 4.01 3.91 2ox3A1 THR 139 H 0.00 0.55 -0.98 -0.55 8.28 7.30 2ox3A1 THR 139 HA 0.01 0.02 0.59 -0.75 4.39 4.25 2ox3A1 THR 139 HB 0.00 -0.07 0.09 -0.04 4.32 4.30 2ox3A1 THR 139 HG23 0.00 0.02 -0.04 -0.04 1.22 1.16 2ox3A1 PRO 140 HA 0.01 0.07 0.63 -0.51 4.44 4.64 2ox3A1 PRO 140 HB2 0.02 0.06 -0.01 -0.04 2.28 2.31 2ox3A1 PRO 140 HB3 0.02 -0.03 0.05 -0.04 2.02 2.02 2ox3A1 PRO 140 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 2ox3A1 PRO 140 HG3 0.01 -0.01 0.06 -0.04 2.03 2.05 2ox3A1 PRO 140 HD2 0.01 0.07 0.19 -0.04 3.68 3.91 2ox3A1 PRO 140 HD3 0.01 0.12 0.15 -0.04 3.65 3.89 2ox3A1 VAL 141 H 0.02 0.10 0.06 -0.55 8.24 7.87 2ox3A1 VAL 141 HA -0.01 0.08 0.31 -0.75 4.13 3.76 2ox3A1 VAL 141 HB 0.01 -0.05 -0.07 -0.04 2.12 1.97 2ox3A1 VAL 141 HG13 -0.05 0.03 -0.11 -0.04 0.97 0.80 2ox3A1 VAL 141 HG23 0.13 -0.01 -0.20 -0.04 0.95 0.82 2ox3A1 THR 142 H 0.02 0.09 0.16 -0.55 8.28 8.01 2ox3A1 THR 142 HA 0.07 0.27 0.82 -0.75 4.39 4.81 2ox3A1 THR 142 HB 0.03 -0.06 0.13 -0.04 4.32 4.38 2ox3A1 THR 142 HG23 0.01 0.08 -0.16 -0.04 1.22 1.12 2ox3A1 GLU 143 H 0.06 0.24 0.11 -0.55 8.60 8.47 2ox3A1 GLU 143 HA 0.22 0.08 0.29 -0.75 4.29 4.12 2ox3A1 GLU 143 HB2 0.03 0.03 0.04 -0.04 2.09 2.14 2ox3A1 GLU 143 HB3 0.03 0.07 -0.03 -0.04 1.99 2.01 2ox3A1 GLU 143 HG2 -0.01 -0.02 0.05 -0.04 2.34 2.32 2ox3A1 GLU 143 HG3 0.01 0.01 0.08 -0.04 2.34 2.41 2ox3A1 GLU 144 H 0.03 0.03 -0.54 -0.55 8.60 7.57 2ox3A1 GLU 144 HA -0.03 0.13 0.28 -0.75 4.29 3.92 2ox3A1 GLU 144 HB2 -0.01 0.02 0.02 -0.04 2.09 2.07 2ox3A1 GLU 144 HB3 -0.02 -0.08 -0.02 -0.04 1.99 1.83 2ox3A1 GLU 144 HG2 -0.06 -0.01 -0.28 -0.04 2.34 1.95 2ox3A1 GLU 144 HG3 -0.04 0.06 -0.03 -0.04 2.34 2.29 2ox3A1 ASP 145 H -0.04 0.54 -0.23 -0.55 8.40 8.12 2ox3A1 ASP 145 HA -0.21 0.08 0.45 -0.75 4.63 4.20 2ox3A1 ASP 145 HB2 -0.42 0.12 0.01 -0.04 2.71 2.38 2ox3A1 ASP 145 HB3 -0.44 0.04 -0.02 -0.04 2.70 2.24 2ox3A1 PHE 146 H 0.05 0.27 -0.35 -0.55 8.34 7.75 2ox3A1 PHE 146 HA -0.25 0.19 0.69 -0.75 4.62 4.50 2ox3A1 PHE 146 HB2 -0.11 -0.01 -0.02 -0.04 3.15 2.97 2ox3A1 PHE 146 HB3 -0.15 -0.01 -0.00 -0.04 3.06 2.86 2ox3A1 PHE 146 HD2 -0.06 0.03 -0.26 -0.04 7.28 6.95 2ox3A1 PHE 146 HE2 -0.04 0.02 -0.32 -0.04 7.38 6.99 2ox3A1 PHE 146 HZ -0.09 -0.03 -0.52 -0.04 7.32 6.63 2ox3A1 LEU 147 H -0.08 0.31 -0.23 -0.55 8.37 7.83 2ox3A1 LEU 147 HA -0.12 0.14 0.66 -0.75 4.35 4.28 2ox3A1 LEU 147 HB2 -0.05 -0.01 -0.03 -0.04 1.64 1.51 2ox3A1 LEU 147 HB3 -0.06 0.06 0.00 -0.04 1.64 1.60 2ox3A1 LEU 147 HG -0.00 0.01 -0.23 -0.04 1.64 1.37 2ox3A1 LEU 147 HD13 -0.01 -0.03 -0.24 -0.04 0.93 0.61 2ox3A1 LEU 147 HD23 -0.05 -0.02 -0.45 -0.04 0.89 0.32 2ox3A1 GLN 148 H -0.39 0.10 -0.63 -0.55 8.47 7.00 2ox3A1 GLN 148 HA -0.13 0.11 0.56 -0.75 4.36 4.15 2ox3A1 GLN 148 HB2 -0.68 -0.02 -0.13 -0.04 2.15 1.28 2ox3A1 GLN 148 HB3 -0.12 0.04 0.01 -0.04 2.02 1.91 2ox3A1 GLN 148 HG2 -0.15 -0.01 -0.05 -0.04 2.40 2.14 2ox3A1 GLN 148 HG3 -0.31 -0.00 -0.18 -0.04 2.39 1.86 2ox3A1 GLN 148 HE21 -0.08 0.38 0.01 -0.04 6.97 7.25 2ox3A1 GLN 148 HE22 -0.26 0.17 0.09 -0.04 7.69 7.65 2ox3A1 PRO 149 HA -0.00 0.16 0.54 -0.51 4.44 4.63 2ox3A1 PRO 149 HB2 0.01 0.06 -0.02 -0.04 2.28 2.28 2ox3A1 PRO 149 HB3 -0.01 0.08 -0.03 -0.04 2.02 2.02 2ox3A1 PRO 149 HG2 0.01 -0.06 0.06 -0.04 2.03 2.00 2ox3A1 PRO 149 HG3 -0.01 0.03 0.03 -0.04 2.03 2.05 2ox3A1 PRO 149 HD2 -0.04 0.06 0.19 -0.04 3.68 3.86 2ox3A1 PRO 149 HD3 -0.04 0.16 0.18 -0.04 3.65 3.91 2ox3A1 GLY 150 H 0.05 0.22 0.15 -0.55 8.43 8.29 2ox3A1 GLY 150 HA2 0.15 0.04 0.29 -0.51 4.01 3.98 2ox3A1 GLY 150 HA3 0.04 -0.01 0.34 -0.51 4.01 3.87 2ox3A1 ASN 151 H -0.00 0.39 -0.33 -0.55 8.53 8.04 2ox3A1 ASN 151 HA -0.18 0.05 0.40 -0.75 4.76 4.28 2ox3A1 ASN 151 HB2 -0.06 -0.04 0.09 -0.04 2.88 2.84 2ox3A1 ASN 151 HB3 -0.03 -0.03 -0.04 -0.04 2.79 2.65 2ox3A1 ASN 151 HD21 -0.01 -0.05 -0.02 -0.04 7.03 6.92 2ox3A1 ASN 151 HD22 -0.01 0.07 0.03 -0.04 7.74 7.79 2ox3A1 LYS 152 H 0.06 0.58 -0.39 -0.55 8.42 8.12 2ox3A1 LYS 152 HA -0.04 0.16 0.85 -0.75 4.32 4.54 2ox3A1 LYS 152 HB2 0.26 0.06 -0.03 -0.04 1.87 2.11 2ox3A1 LYS 152 HB3 0.10 -0.06 0.10 -0.04 1.79 1.89 2ox3A1 LYS 152 HG2 0.03 -0.00 -0.08 -0.04 1.46 1.36 2ox3A1 LYS 152 HG3 0.02 -0.06 0.01 -0.04 1.46 1.39 2ox3A1 LYS 152 HD2 -0.00 -0.03 0.00 -0.04 1.69 1.62 2ox3A1 LYS 152 HD3 -0.01 0.13 -0.12 -0.04 1.68 1.64 2ox3A1 LYS 152 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2ox3A1 LYS 152 HE3 -0.01 -0.02 -0.11 -0.04 2.99 2.81 2ox3A1 GLN 153 H -0.28 0.34 -0.12 -0.55 8.47 7.86 2ox3A1 GLN 153 HA -0.82 0.01 0.47 -0.75 4.36 3.26 2ox3A1 GLN 153 HB2 -0.51 0.01 0.01 -0.04 2.15 1.62 2ox3A1 GLN 153 HB3 -0.27 -0.00 0.06 -0.04 2.02 1.78 2ox3A1 GLN 153 HG2 -1.17 -0.06 -0.05 -0.04 2.40 1.07 2ox3A1 GLN 153 HG3 -0.45 0.08 0.08 -0.04 2.39 2.07 2ox3A1 GLN 153 HE21 0.06 0.12 -0.31 -0.04 6.97 6.79 2ox3A1 GLN 153 HE22 -0.18 0.50 0.09 -0.04 7.69 8.05 2ox3A1 VAL 154 H -0.05 0.48 0.47 -0.55 8.24 8.60 2ox3A1 VAL 154 HA 0.08 0.22 0.87 -0.75 4.13 4.55 2ox3A1 VAL 154 HB 0.02 -0.08 0.13 -0.04 2.12 2.15 2ox3A1 VAL 154 HG13 -0.02 0.03 0.03 -0.04 0.97 0.96 2ox3A1 VAL 154 HG23 0.26 -0.01 -0.10 -0.04 0.95 1.06 2ox3A1 ALA 155 H 0.13 0.31 0.25 -0.55 8.40 8.55 2ox3A1 ALA 155 HA 0.26 0.30 0.80 -0.75 4.34 4.94 2ox3A1 ALA 155 HB3 0.18 -0.01 -0.03 -0.04 1.41 1.52 2ox3A1 ALA 156 H -0.02 0.57 0.41 -0.55 8.40 8.81 2ox3A1 ALA 156 HA -0.32 0.17 0.70 -0.75 4.34 4.14 2ox3A1 ALA 156 HB3 -0.02 0.01 0.08 -0.04 1.41 1.44 2ox3A1 GLY 157 H -0.87 0.57 0.45 -0.55 8.43 8.04 2ox3A1 GLY 157 HA2 -0.33 -0.01 0.44 -0.51 4.01 3.60 2ox3A1 GLY 157 HA3 -0.47 0.15 0.75 -0.51 4.01 3.93 2ox3A1 TYR 158 H -0.40 0.70 0.48 -0.55 8.29 8.52 2ox3A1 TYR 158 HA 0.04 0.20 0.87 -0.75 4.56 4.91 2ox3A1 TYR 158 HB2 -0.08 0.02 0.19 -0.04 3.06 3.16 2ox3A1 TYR 158 HB3 -0.16 0.02 -0.03 -0.04 2.98 2.77 2ox3A1 TYR 158 HD2 -0.17 -0.02 -0.37 -0.04 7.15 6.56 2ox3A1 TYR 158 HE2 0.05 0.01 -0.16 -0.04 6.85 6.70 2ox3A1 VAL 159 H 0.14 0.63 0.46 -0.55 8.24 8.92 2ox3A1 VAL 159 HA -0.08 0.20 0.97 -0.75 4.13 4.47 2ox3A1 VAL 159 HB -0.15 -0.07 0.16 -0.04 2.12 2.02 2ox3A1 VAL 159 HG13 -0.60 0.01 -0.13 -0.04 0.97 0.20 2ox3A1 VAL 159 HG23 -0.06 0.02 -0.14 -0.04 0.95 0.73 2ox3A1 VAL 160 H -0.13 0.32 0.21 -0.55 8.24 8.09 2ox3A1 VAL 160 HA -0.13 0.17 1.07 -0.75 4.13 4.48 2ox3A1 VAL 160 HB -0.03 -0.02 -0.15 -0.04 2.12 1.89 2ox3A1 VAL 160 HG13 -0.21 0.02 0.05 -0.04 0.97 0.78 2ox3A1 VAL 160 HG23 -0.07 -0.01 -0.22 -0.04 0.95 0.62 2ox3A1 TYR 161 H 0.05 0.69 0.26 -0.55 8.29 8.75 2ox3A1 TYR 161 HA 0.03 0.11 0.82 -0.75 4.56 4.77 2ox3A1 TYR 161 HB2 0.06 -0.05 0.19 -0.04 3.06 3.22 2ox3A1 TYR 161 HB3 0.11 0.06 0.01 -0.04 2.98 3.11 2ox3A1 TYR 161 HD2 0.07 0.04 -0.20 -0.04 7.15 7.01 2ox3A1 TYR 161 HE2 0.07 0.12 -0.13 -0.04 6.85 6.87 2ox3A1 GLY 162 H 0.06 0.61 -0.01 -0.55 8.43 8.54 2ox3A1 GLY 162 HA2 0.08 0.17 0.82 -0.51 4.01 4.57 2ox3A1 GLY 162 HA3 0.05 -0.08 0.35 -0.51 4.01 3.82 2ox3A1 SER 163 H 0.05 0.11 0.15 -0.55 8.46 8.22 2ox3A1 SER 163 HA 0.05 0.09 0.40 -0.75 4.49 4.27 2ox3A1 SER 163 HB2 0.04 0.03 0.06 -0.04 3.95 4.03 2ox3A1 SER 163 HB3 0.04 0.01 0.14 -0.04 3.93 4.08 2ox3A1 SER 164 H 0.04 0.07 -0.36 -0.55 8.46 7.67 2ox3A1 SER 164 HA 0.04 0.18 0.62 -0.75 4.49 4.57 2ox3A1 SER 164 HB2 0.01 0.07 0.13 -0.04 3.95 4.12 2ox3A1 SER 164 HB3 0.02 0.01 -0.15 -0.04 3.93 3.77 2ox3A1 THR 165 H -0.03 0.21 0.12 -0.55 8.28 8.03 2ox3A1 THR 165 HA -0.02 0.42 0.99 -0.75 4.39 5.02 2ox3A1 THR 165 HB -0.24 -0.04 0.14 -0.04 4.32 4.14 2ox3A1 THR 165 HG23 0.02 0.02 -0.02 -0.04 1.22 1.20 2ox3A1 LEU 167 HA -0.10 -0.01 0.49 -0.75 4.35 3.98 2ox3A1 LEU 167 HB2 -0.57 -0.07 -0.00 -0.04 1.64 0.95 2ox3A1 LEU 167 HB3 -0.28 -0.07 0.07 -0.04 1.64 1.32 2ox3A1 LEU 167 HG -0.10 0.08 -0.07 -0.04 1.64 1.50 2ox3A1 LEU 167 HD13 -0.53 -0.03 -0.13 -0.04 0.93 0.21 2ox3A1 LEU 167 HD23 -0.03 -0.00 -0.37 -0.04 0.89 0.45 2ox3A1 VAL 168 H -0.24 0.72 0.44 -0.55 8.24 8.60 2ox3A1 VAL 168 HA -0.07 0.38 1.13 -0.75 4.13 4.82 2ox3A1 VAL 168 HB -1.46 -0.13 0.12 -0.04 2.12 0.61 2ox3A1 VAL 168 HG13 -0.24 0.01 -0.17 -0.04 0.97 0.53 2ox3A1 VAL 168 HG23 -0.09 -0.01 -0.16 -0.04 0.95 0.65 2ox3A1 TYR 169 H -0.19 0.67 0.40 -0.55 8.29 8.62 2ox3A1 TYR 169 HA -0.24 0.14 0.90 -0.75 4.56 4.61 2ox3A1 TYR 169 HB2 0.00 0.05 0.11 -0.04 3.06 3.19 2ox3A1 TYR 169 HB3 0.06 -0.03 -0.32 -0.04 2.98 2.65 2ox3A1 TYR 169 HD2 0.02 0.03 -0.24 -0.04 7.15 6.92 2ox3A1 TYR 169 HE2 0.05 -0.03 -0.16 -0.04 6.85 6.67 2ox3A1 THR 170 H -0.03 0.68 0.47 -0.55 8.28 8.86 2ox3A1 THR 170 HA -0.35 0.18 0.77 -0.75 4.39 4.24 2ox3A1 THR 170 HB -0.40 0.08 -0.04 -0.04 4.32 3.92 2ox3A1 THR 170 HG23 -0.81 0.03 -0.19 -0.04 1.22 0.21 2ox3A1 THR 171 H 0.02 0.04 0.25 -0.55 8.28 8.05 2ox3A1 THR 171 HA 0.25 0.36 1.00 -0.75 4.39 5.25 2ox3A1 THR 171 HB 0.38 0.07 0.32 -0.04 4.32 5.05 2ox3A1 THR 171 HG23 0.31 0.00 -0.08 -0.04 1.22 1.41 2ox3A1 GLY 172 H -0.07 -0.05 0.16 -0.55 8.43 7.93 2ox3A1 GLY 172 HA2 0.27 0.07 0.29 -0.51 4.01 4.12 2ox3A1 GLY 172 HA3 0.25 0.27 0.94 -0.51 4.01 4.96 2ox3A1 CYS 173 H 0.03 -0.07 0.10 -0.55 8.50 8.01 2ox3A1 CYS 173 HA 0.06 0.24 0.93 -0.75 4.58 5.05 2ox3A1 CYS 173 HB2 0.17 -0.02 0.19 -0.04 2.97 3.26 2ox3A1 CYS 173 HB3 0.11 0.03 0.15 -0.04 2.97 3.22 2ox3A1 GLY 174 H -0.06 0.10 -0.02 -0.55 8.43 7.91 2ox3A1 GLY 174 HA2 -0.10 0.22 0.43 -0.51 4.01 4.05 2ox3A1 GLY 174 HA3 -0.10 0.20 0.74 -0.51 4.01 4.35 2ox3A1 VAL 175 H -0.21 0.21 0.15 -0.55 8.24 7.84 2ox3A1 VAL 175 HA -0.47 0.17 0.89 -0.75 4.13 3.97 2ox3A1 VAL 175 HB -0.16 0.04 0.08 -0.04 2.12 2.04 2ox3A1 VAL 175 HG13 -0.15 -0.01 -0.22 -0.04 0.97 0.54 2ox3A1 VAL 175 HG23 -0.12 0.01 -0.26 -0.04 0.95 0.54 2ox3A1 HIS 176 H -0.64 0.64 0.36 -0.55 8.41 8.22 2ox3A1 HIS 176 HA -0.31 0.25 0.95 -0.75 4.63 4.76 2ox3A1 HIS 176 HB2 -0.47 -0.09 0.06 -0.04 3.26 2.72 2ox3A1 HIS 176 HB3 -0.58 -0.04 0.05 -0.04 3.20 2.59 2ox3A1 HIS 176 HD2 -0.67 -0.10 -0.06 -0.04 6.97 6.10 2ox3A1 HIS 176 HE1 0.14 0.08 0.04 -0.04 7.75 7.96 2ox3A1 ALA 177 H -0.33 0.74 0.38 -0.55 8.40 8.65 2ox3A1 ALA 177 HA -0.02 0.32 1.21 -0.75 4.34 5.09 2ox3A1 ALA 177 HB3 -0.07 -0.01 -0.02 -0.04 1.41 1.27 2ox3A1 PHE 178 H 0.22 0.92 0.37 -0.55 8.34 9.30 2ox3A1 PHE 178 HA 0.02 0.15 0.92 -0.75 4.62 4.97 2ox3A1 PHE 178 HB2 0.05 0.07 0.02 -0.04 3.15 3.25 2ox3A1 PHE 178 HB3 0.18 -0.13 -0.26 -0.04 3.06 2.81 2ox3A1 PHE 178 HD2 0.01 0.09 -0.41 -0.04 7.28 6.92 2ox3A1 PHE 178 HE2 -0.11 0.04 -0.27 -0.04 7.38 7.00 2ox3A1 PHE 178 HZ -1.00 0.01 -0.13 -0.04 7.32 6.16 2ox3A1 THR 179 H 0.16 0.67 0.28 -0.55 8.28 8.84 2ox3A1 THR 179 HA 0.17 0.27 0.93 -0.75 4.39 5.01 2ox3A1 THR 179 HB 0.02 -0.01 0.06 -0.04 4.32 4.35 2ox3A1 THR 179 HG23 -0.00 0.02 -0.10 -0.04 1.22 1.10 2ox3A1 TYR 180 H 0.00 0.76 0.28 -0.55 8.29 8.79 2ox3A1 TYR 180 HA -0.80 0.02 0.50 -0.75 4.56 3.53 2ox3A1 TYR 180 HB2 -1.34 0.02 0.04 -0.04 3.06 1.74 2ox3A1 TYR 180 HB3 -0.42 -0.04 0.18 -0.04 2.98 2.67 2ox3A1 TYR 180 HD2 -0.60 -0.03 -0.21 -0.04 7.15 6.26 2ox3A1 TYR 180 HE2 -0.03 0.03 -0.22 -0.04 6.85 6.59 2ox3A1 ASP 181 H -0.60 0.68 0.35 -0.55 8.40 8.29 2ox3A1 ASP 181 HA -0.30 0.26 0.96 -0.75 4.63 4.79 2ox3A1 ASP 181 HB2 -0.16 0.14 0.10 -0.04 2.71 2.74 2ox3A1 ASP 181 HB3 -0.24 -0.09 0.28 -0.04 2.70 2.62 2ox3A1 PRO 182 HA -0.33 0.07 0.39 -0.51 4.44 4.06 2ox3A1 PRO 182 HB2 -0.04 0.02 0.02 -0.04 2.28 2.24 2ox3A1 PRO 182 HB3 0.08 0.07 0.07 -0.04 2.02 2.20 2ox3A1 PRO 182 HG2 0.02 0.08 0.09 -0.04 2.03 2.18 2ox3A1 PRO 182 HG3 0.10 0.04 0.03 -0.04 2.03 2.15 2ox3A1 PRO 182 HD2 -0.15 0.06 0.24 -0.04 3.68 3.79 2ox3A1 PRO 182 HD3 -0.26 0.56 0.24 -0.04 3.65 4.15 2ox3A1 SER 183 H -0.15 0.09 -0.27 -0.55 8.46 7.58 2ox3A1 SER 183 HA -0.05 0.10 0.38 -0.75 4.49 4.16 2ox3A1 SER 183 HB2 -0.08 -0.02 -0.03 -0.04 3.95 3.78 2ox3A1 SER 183 HB3 -0.05 0.03 0.03 -0.04 3.93 3.90 2ox3A1 LEU 184 H -0.18 0.18 -0.26 -0.55 8.37 7.55 2ox3A1 LEU 184 HA -0.05 0.22 0.92 -0.75 4.35 4.69 2ox3A1 LEU 184 HB2 -0.12 -0.02 0.09 -0.04 1.64 1.54 2ox3A1 LEU 184 HB3 -0.05 -0.00 -0.08 -0.04 1.64 1.47 2ox3A1 LEU 184 HG -0.06 -0.07 -0.17 -0.04 1.64 1.30 2ox3A1 LEU 184 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.80 2ox3A1 LEU 184 HD23 -0.02 0.02 -0.03 -0.04 0.89 0.82 2ox3A1 GLY 185 H -0.30 0.66 0.22 -0.55 8.43 8.46 2ox3A1 GLY 185 HA2 0.07 -0.01 0.26 -0.51 4.01 3.83 2ox3A1 GLY 185 HA3 0.07 0.13 0.59 -0.51 4.01 4.28 2ox3A1 VAL 186 H -0.28 0.20 0.15 -0.55 8.24 7.76 2ox3A1 VAL 186 HA 0.14 0.16 0.67 -0.75 4.13 4.33 2ox3A1 VAL 186 HB 0.07 -0.05 0.03 -0.04 2.12 2.13 2ox3A1 VAL 186 HG13 0.03 0.04 -0.42 -0.04 0.97 0.58 2ox3A1 VAL 186 HG23 -0.03 -0.02 -0.21 -0.04 0.95 0.66 2ox3A1 PHE 187 H 0.31 0.11 0.14 -0.55 8.34 8.34 2ox3A1 PHE 187 HA 0.12 0.26 0.71 -0.75 4.62 4.96 2ox3A1 PHE 187 HB2 0.01 -0.13 0.10 -0.04 3.15 3.09 2ox3A1 PHE 187 HB3 0.11 0.07 -0.16 -0.04 3.06 3.05 2ox3A1 PHE 187 HD2 0.10 0.01 -0.23 -0.04 7.28 7.12 2ox3A1 PHE 187 HE2 -0.02 0.10 -0.44 -0.04 7.38 6.98 2ox3A1 PHE 187 HZ -0.09 -0.02 -0.17 -0.04 7.32 6.99 2ox3A1 CYS 188 H 0.18 0.72 0.29 -0.55 8.50 9.15 2ox3A1 CYS 188 HA 0.22 0.14 1.04 -0.75 4.58 5.23 2ox3A1 CYS 188 HB2 0.04 0.01 0.06 -0.04 2.97 3.03 2ox3A1 CYS 188 HB3 0.05 0.17 0.02 -0.04 2.97 3.17 2ox3A1 LEU 189 H 0.15 0.77 0.28 -0.55 8.37 9.02 2ox3A1 LEU 189 HA -0.86 0.07 0.48 -0.75 4.35 3.29 2ox3A1 LEU 189 HB2 -0.14 -0.03 0.02 -0.04 1.64 1.44 2ox3A1 LEU 189 HB3 -0.06 0.08 0.13 -0.04 1.64 1.74 2ox3A1 LEU 189 HG -0.27 -0.04 -0.31 -0.04 1.64 0.99 2ox3A1 LEU 189 HD13 -0.99 0.02 -0.13 -0.04 0.93 -0.20 2ox3A1 LEU 189 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 2ox3A1 CYS 190 H -0.39 0.46 0.43 -0.55 8.50 8.45 2ox3A1 CYS 190 HA -0.09 0.18 0.87 -0.75 4.58 4.78 2ox3A1 CYS 190 HB2 -0.05 -0.04 0.07 -0.04 2.97 2.92 2ox3A1 CYS 190 HB3 -0.05 0.02 -0.09 -0.04 2.97 2.81 2ox3A1 GLN 191 H -0.33 0.22 0.21 -0.55 8.47 8.01 2ox3A1 GLN 191 HA -0.12 0.05 0.59 -0.75 4.36 4.14 2ox3A1 GLN 191 HB2 -0.10 0.01 -0.32 -0.04 2.15 1.70 2ox3A1 GLN 191 HB3 -0.13 -0.02 0.08 -0.04 2.02 1.91 2ox3A1 GLN 191 HG2 -0.08 -0.01 -0.01 -0.04 2.40 2.25 2ox3A1 GLN 191 HG3 -0.07 0.03 0.15 -0.04 2.39 2.46 2ox3A1 GLN 191 HE21 -0.09 0.04 -0.07 -0.04 6.97 6.80 2ox3A1 GLN 191 HE22 -0.08 0.11 -0.14 -0.04 7.69 7.54 2ox3A1 GLU 192 H -0.10 0.16 0.13 -0.55 8.60 8.25 2ox3A1 GLU 192 HA -0.20 0.09 0.67 -0.75 4.29 4.09 2ox3A1 GLU 192 HB2 -0.03 -0.03 0.06 -0.04 2.09 2.05 2ox3A1 GLU 192 HB3 0.01 0.01 0.09 -0.04 1.99 2.06 2ox3A1 GLU 192 HG2 0.17 0.06 -0.20 -0.04 2.34 2.33 2ox3A1 GLU 192 HG3 0.27 -0.01 0.06 -0.04 2.34 2.63 2ox3A1 ARG 193 H -0.04 0.08 -0.05 -0.55 8.46 7.90 2ox3A1 ARG 193 HA -0.03 0.22 0.66 -0.75 4.34 4.44 2ox3A1 ARG 193 HB2 0.05 0.03 -0.13 -0.04 1.90 1.81 2ox3A1 ARG 193 HB3 0.01 -0.06 0.05 -0.04 1.80 1.75 2ox3A1 ARG 193 HG2 -0.02 0.13 -0.01 -0.04 1.67 1.74 2ox3A1 ARG 193 HG3 0.01 -0.01 0.05 -0.04 1.67 1.67 2ox3A1 ARG 193 HD2 0.02 -0.05 -0.00 -0.04 3.22 3.14 2ox3A1 ARG 193 HD3 0.00 -0.01 0.03 -0.04 3.22 3.20 2ox3A1 ARG 195 HA -0.04 -0.02 0.39 -0.75 4.34 3.91 2ox3A1 ARG 195 HB2 -0.01 -0.07 0.06 -0.04 1.90 1.84 2ox3A1 ARG 195 HB3 0.03 0.08 0.01 -0.04 1.80 1.89 2ox3A1 ARG 195 HG2 -0.03 -0.02 -1.12 -0.04 1.67 0.47 2ox3A1 ARG 195 HG3 -0.00 -0.07 -0.12 -0.04 1.67 1.43 2ox3A1 ARG 195 HD2 0.01 0.00 -0.02 -0.04 3.22 3.17 2ox3A1 ARG 195 HD3 0.00 -0.09 -0.05 -0.04 3.22 3.04 2ox3A1 PHE 196 H 0.21 0.33 0.21 -0.55 8.34 8.54 2ox3A1 PHE 196 HA -0.06 0.28 0.56 -0.75 4.62 4.64 2ox3A1 PHE 196 HB2 -0.02 -0.00 0.02 -0.04 3.15 3.10 2ox3A1 PHE 196 HB3 -0.02 -0.01 0.02 -0.04 3.06 3.00 2ox3A1 PHE 196 HD2 -0.07 0.11 -0.11 -0.04 7.28 7.17 2ox3A1 PHE 196 HE2 -0.15 0.02 -0.08 -0.04 7.38 7.13 2ox3A1 PHE 196 HZ -0.36 -0.10 -0.10 -0.04 7.32 6.71 2ox3A1 PRO 197 HA 0.04 0.08 0.48 -0.51 4.44 4.53 2ox3A1 PRO 197 HB2 0.04 -0.14 0.12 -0.04 2.28 2.26 2ox3A1 PRO 197 HB3 0.02 0.07 0.12 -0.04 2.02 2.19 2ox3A1 PRO 197 HG2 0.09 0.03 -0.09 -0.04 2.03 2.01 2ox3A1 PRO 197 HG3 0.04 0.12 -0.42 -0.04 2.03 1.72 2ox3A1 PRO 197 HD2 0.13 -0.06 0.14 -0.04 3.68 3.85 2ox3A1 PRO 197 HD3 -0.01 0.38 -0.02 -0.04 3.65 3.96 2ox3A1 GLU 198 H 0.03 0.08 0.16 -0.55 8.60 8.32 2ox3A1 GLU 198 HA 0.03 0.09 0.38 -0.75 4.29 4.04 2ox3A1 GLU 198 HB2 0.01 -0.00 0.16 -0.04 2.09 2.22 2ox3A1 GLU 198 HB3 0.00 -0.02 0.10 -0.04 1.99 2.03 2ox3A1 GLU 198 HG2 -0.03 -0.00 -0.04 -0.04 2.34 2.23 2ox3A1 GLU 198 HG3 -0.00 -0.00 0.07 -0.04 2.34 2.37 2ox3A1 LYS 199 H 0.04 0.16 -0.13 -0.55 8.42 7.94 2ox3A1 LYS 199 HA 0.08 0.10 0.74 -0.75 4.32 4.48 2ox3A1 LYS 199 HB2 0.01 -0.03 -0.06 -0.04 1.87 1.75 2ox3A1 LYS 199 HB3 0.01 0.09 0.02 -0.04 1.79 1.87 2ox3A1 LYS 199 HG2 -0.11 -0.06 -0.47 -0.04 1.46 0.78 2ox3A1 LYS 199 HG3 -0.10 -0.00 -0.08 -0.04 1.46 1.24 2ox3A1 LYS 199 HD2 -0.85 -0.01 0.06 -0.04 1.69 0.86 2ox3A1 LYS 199 HD3 -0.81 0.10 0.20 -0.04 1.68 1.13 2ox3A1 LYS 199 HE2 -0.18 0.03 -0.00 -0.04 2.99 2.79 2ox3A1 LYS 199 HE3 -0.17 -0.02 -0.00 -0.04 2.99 2.75 2ox3A1 GLY 200 H 0.59 0.14 0.14 -0.55 8.43 8.76 2ox3A1 GLY 200 HA2 0.06 0.31 0.86 -0.51 4.01 4.73 2ox3A1 GLY 200 HA3 0.02 -0.09 0.22 -0.51 4.01 3.65 2ox3A1 LYS 201 H -0.04 0.26 0.05 -0.55 8.42 8.15 2ox3A1 LYS 201 HA -0.33 0.22 0.78 -0.75 4.32 4.24 2ox3A1 LYS 201 HB2 0.06 0.01 0.05 -0.04 1.87 1.94 2ox3A1 LYS 201 HB3 0.17 0.04 0.25 -0.04 1.79 2.21 2ox3A1 LYS 201 HG2 0.19 0.11 -0.03 -0.04 1.46 1.70 2ox3A1 LYS 201 HG3 0.10 -0.05 -0.82 -0.04 1.46 0.65 2ox3A1 LYS 201 HD2 0.08 -0.02 -0.02 -0.04 1.69 1.69 2ox3A1 LYS 201 HD3 0.08 -0.04 -0.10 -0.04 1.68 1.58 2ox3A1 LYS 201 HE2 0.05 0.06 -0.14 -0.04 2.99 2.92 2ox3A1 LYS 201 HE3 0.05 0.01 -0.02 -0.04 2.99 2.98 2ox3A1 THR 202 H -0.13 0.11 0.16 -0.55 8.28 7.87 2ox3A1 THR 202 HA 0.06 0.40 1.08 -0.75 4.39 5.17 2ox3A1 THR 202 HB 0.01 0.01 0.15 -0.04 4.32 4.45 2ox3A1 THR 202 HG23 0.00 -0.01 -0.15 -0.04 1.22 1.02 2ox3A1 TYR 203 H 0.04 0.58 0.37 -0.55 8.29 8.73 2ox3A1 TYR 203 HA 0.04 0.18 1.04 -0.75 4.56 5.06 2ox3A1 TYR 203 HB2 0.12 -0.03 0.01 -0.04 3.06 3.12 2ox3A1 TYR 203 HB3 0.08 0.03 -0.08 -0.04 2.98 2.97 2ox3A1 TYR 203 HD2 0.08 0.00 -0.17 -0.04 7.15 7.02 2ox3A1 TYR 203 HE2 0.03 0.03 -0.20 -0.04 6.85 6.67 2ox3A1 SER 204 H 0.14 0.62 0.36 -0.55 8.46 9.04 2ox3A1 SER 204 HA 0.02 0.27 1.13 -0.75 4.49 5.16 2ox3A1 SER 204 HB2 0.26 -0.10 0.30 -0.04 3.95 4.37 2ox3A1 SER 204 HB3 0.39 -0.17 0.16 -0.04 3.93 4.27 2ox3A1 ILE 205 H -0.23 0.38 0.18 -0.55 8.25 8.03 2ox3A1 ILE 205 HA -0.45 0.24 0.70 -0.75 4.18 3.92 2ox3A1 ILE 205 HB -0.06 0.06 -0.25 -0.04 1.89 1.60 2ox3A1 ILE 205 HG12 -0.06 -0.05 -0.27 -0.04 1.49 1.06 2ox3A1 ILE 205 HG13 -0.35 0.17 0.04 -0.04 1.21 1.03 2ox3A1 ILE 205 HG23 0.14 -0.01 -0.25 -0.04 0.93 0.77 2ox3A1 ILE 205 HD13 -0.55 0.00 -0.16 -0.04 0.88 0.13 2ox3A1 ASN 206 H -0.53 0.25 0.09 -0.55 8.53 7.80 2ox3A1 ASN 206 HA -0.57 0.14 0.66 -0.75 4.76 4.24 2ox3A1 ASN 206 HB2 -0.21 0.04 0.11 -0.04 2.88 2.78 2ox3A1 ASN 206 HB3 -0.14 0.02 0.24 -0.04 2.79 2.87 2ox3A1 ASN 206 HD21 0.13 0.05 0.00 -0.04 7.03 7.16 2ox3A1 ASN 206 HD22 0.24 0.02 0.02 -0.04 7.74 7.97 2ox3A1 GLU 207 H -0.10 0.38 0.04 -0.55 8.60 8.37 2ox3A1 GLU 207 HA 0.24 0.10 0.19 -0.75 4.29 4.06 2ox3A1 GLU 207 HB2 0.02 0.03 0.06 -0.04 2.09 2.17 2ox3A1 GLU 207 HB3 0.04 0.02 0.02 -0.04 1.99 2.03 2ox3A1 GLU 207 HG2 0.28 -0.01 -0.07 -0.04 2.34 2.51 2ox3A1 GLU 207 HG3 0.19 0.02 -0.10 -0.04 2.34 2.41 2ox3A1 GLY 208 H -0.04 0.02 -0.65 -0.55 8.43 7.21 2ox3A1 GLY 208 HA2 -0.03 0.10 0.40 -0.51 4.01 3.97 2ox3A1 GLY 208 HA3 -0.03 0.03 0.25 -0.51 4.01 3.75 2ox3A1 ASN 209 H -0.18 0.41 -0.20 -0.55 8.53 8.02 2ox3A1 ASN 209 HA -0.24 0.08 0.50 -0.75 4.76 4.35 2ox3A1 ASN 209 HB2 -0.48 0.13 0.06 -0.04 2.88 2.55 2ox3A1 ASN 209 HB3 -0.34 -0.07 0.13 -0.04 2.79 2.47 2ox3A1 ASN 209 HD21 0.07 -0.02 0.01 -0.04 7.03 7.06 2ox3A1 ASN 209 HD22 -0.00 0.05 0.04 -0.04 7.74 7.79 2ox3A1 TYR 210 H -0.17 0.43 -0.77 -0.55 8.29 7.23 2ox3A1 TYR 210 HA -0.62 0.04 0.28 -0.75 4.56 3.50 2ox3A1 TYR 210 HB2 -0.10 0.25 0.13 -0.04 3.06 3.29 2ox3A1 TYR 210 HB3 -0.12 -0.09 0.14 -0.04 2.98 2.86 2ox3A1 TYR 210 HD2 0.05 -0.04 -0.06 -0.04 7.15 7.06 2ox3A1 TYR 210 HE2 0.01 0.01 -0.04 -0.04 6.85 6.79 2ox3A1 ILE 211 H -0.01 0.15 0.00 -0.55 8.25 7.84 2ox3A1 ILE 211 HA -0.19 0.08 0.30 -0.75 4.18 3.61 2ox3A1 ILE 211 HB -0.03 0.03 0.04 -0.04 1.89 1.89 2ox3A1 ILE 211 HG12 -0.08 -0.06 -0.00 -0.04 1.49 1.31 2ox3A1 ILE 211 HG13 -0.08 0.04 -0.20 -0.04 1.21 0.93 2ox3A1 ILE 211 HG23 0.07 0.00 0.06 -0.04 0.93 1.03 2ox3A1 ILE 211 HD13 -0.02 0.00 -0.02 -0.04 0.88 0.80 2ox3A1 LYS 212 H -0.25 0.07 -0.59 -0.55 8.42 7.09 2ox3A1 LYS 212 HA -0.05 0.17 0.71 -0.75 4.32 4.39 2ox3A1 LYS 212 HB2 -0.02 -0.13 0.09 -0.04 1.87 1.77 2ox3A1 LYS 212 HB3 -0.05 -0.01 0.02 -0.04 1.79 1.71 2ox3A1 LYS 212 HG2 -0.22 -0.05 -0.13 -0.04 1.46 1.02 2ox3A1 LYS 212 HG3 -0.20 0.14 -0.01 -0.04 1.46 1.34 2ox3A1 LYS 212 HD2 -0.04 -0.35 0.09 -0.04 1.69 1.35 2ox3A1 LYS 212 HD3 -0.06 0.06 0.01 -0.04 1.68 1.65 2ox3A1 LYS 212 HE2 -0.12 0.06 -0.00 -0.04 2.99 2.89 2ox3A1 LYS 212 HE3 -0.11 -0.03 0.03 -0.04 2.99 2.84 2ox3A1 PHE 213 H -0.22 0.64 -0.08 -0.55 8.34 8.13 2ox3A1 PHE 213 HA -0.02 0.15 0.49 -0.75 4.62 4.49 2ox3A1 PHE 213 HB2 -0.25 0.10 0.08 -0.04 3.15 3.04 2ox3A1 PHE 213 HB3 -0.07 -0.07 0.00 -0.04 3.06 2.89 2ox3A1 PHE 213 HD2 -0.03 0.05 -0.09 -0.04 7.28 7.17 2ox3A1 PHE 213 HE2 -0.05 -0.08 -0.20 -0.04 7.38 7.02 2ox3A1 PHE 213 HZ -0.17 -0.03 -0.18 -0.04 7.32 6.90 2ox3A1 PRO 214 HA 0.06 -0.00 0.51 -0.51 4.44 4.49 2ox3A1 PRO 214 HB2 0.05 -0.12 0.07 -0.04 2.28 2.23 2ox3A1 PRO 214 HB3 0.06 0.04 0.12 -0.04 2.02 2.20 2ox3A1 PRO 214 HG2 0.13 -0.04 0.15 -0.04 2.03 2.23 2ox3A1 PRO 214 HG3 0.11 0.11 0.13 -0.04 2.03 2.35 2ox3A1 PRO 214 HD2 0.06 -0.02 0.23 -0.04 3.68 3.91 2ox3A1 PRO 214 HD3 0.20 0.49 0.29 -0.04 3.65 4.59 2ox3A1 ASN 215 H 0.04 0.06 0.11 -0.55 8.53 8.19 2ox3A1 ASN 215 HA -0.04 0.07 0.33 -0.75 4.76 4.37 2ox3A1 ASN 215 HB2 0.04 -0.10 0.21 -0.04 2.88 2.98 2ox3A1 ASN 215 HB3 0.09 0.28 -0.04 -0.04 2.79 3.08 2ox3A1 ASN 215 HD21 0.16 -0.07 -0.03 -0.04 7.03 7.05 2ox3A1 ASN 215 HD22 0.23 0.18 -0.06 -0.04 7.74 8.05 2ox3A1 GLY 216 H 0.06 0.15 -0.25 -0.55 8.43 7.84 2ox3A1 GLY 216 HA2 0.11 0.14 0.24 -0.51 4.01 3.99 2ox3A1 GLY 216 HA3 0.09 0.09 0.01 -0.51 4.01 3.70 2ox3A1 VAL 217 H -0.02 0.27 -0.43 -0.55 8.24 7.52 2ox3A1 VAL 217 HA -0.06 0.06 0.44 -0.75 4.13 3.81 2ox3A1 VAL 217 HB -0.07 0.18 0.02 -0.04 2.12 2.21 2ox3A1 VAL 217 HG13 -0.22 -0.02 -0.10 -0.04 0.97 0.60 2ox3A1 VAL 217 HG23 -0.03 -0.02 -0.01 -0.04 0.95 0.84 2ox3A1 LYS 218 H -0.05 0.46 -0.20 -0.55 8.42 8.07 2ox3A1 LYS 218 HA 0.11 -0.00 0.36 -0.75 4.32 4.03 2ox3A1 LYS 218 HB2 -0.11 0.14 0.05 -0.04 1.87 1.91 2ox3A1 LYS 218 HB3 -0.09 -0.05 -0.02 -0.04 1.79 1.59 2ox3A1 LYS 218 HG2 -0.52 -0.04 -0.08 -0.04 1.46 0.78 2ox3A1 LYS 218 HG3 -0.07 0.13 -0.18 -0.04 1.46 1.29 2ox3A1 LYS 218 HD2 -0.18 0.29 -0.21 -0.04 1.69 1.56 2ox3A1 LYS 218 HD3 -0.14 -0.07 -0.12 -0.04 1.68 1.31 2ox3A1 LYS 218 HE2 -0.38 -0.07 -0.09 -0.04 2.99 2.41 2ox3A1 LYS 218 HE3 -1.03 -0.03 -0.22 -0.04 2.99 1.68 2ox3A1 LYS 219 H -0.17 0.48 -0.31 -0.55 8.42 7.87 2ox3A1 LYS 219 HA -0.24 0.02 0.36 -0.75 4.32 3.71 2ox3A1 LYS 219 HB2 -0.27 0.15 0.08 -0.04 1.87 1.79 2ox3A1 LYS 219 HB3 -0.33 -0.04 -0.04 -0.04 1.79 1.33 2ox3A1 LYS 219 HG2 -0.47 0.25 0.02 -0.04 1.46 1.21 2ox3A1 LYS 219 HG3 -1.75 0.02 -0.05 -0.04 1.46 -0.35 2ox3A1 LYS 219 HD2 -0.44 -0.03 -0.02 -0.04 1.69 1.16 2ox3A1 LYS 219 HD3 -0.28 -0.06 -0.07 -0.04 1.68 1.23 2ox3A1 LYS 219 HE2 -0.30 0.01 -0.04 -0.04 2.99 2.61 2ox3A1 LYS 219 HE3 -0.85 0.04 -0.04 -0.04 2.99 2.09 2ox3A1 TYR 220 H -0.28 0.41 -0.29 -0.55 8.29 7.59 2ox3A1 TYR 220 HA -1.09 0.02 0.33 -0.75 4.56 3.06 2ox3A1 TYR 220 HB2 -0.36 0.06 0.07 -0.04 3.06 2.79 2ox3A1 TYR 220 HB3 -0.25 0.11 0.12 -0.04 2.98 2.93 2ox3A1 TYR 220 HD2 -0.17 0.02 -0.17 -0.04 7.15 6.79 2ox3A1 TYR 220 HE2 0.05 0.00 -0.15 -0.04 6.85 6.71 2ox3A1 ILE 221 H -0.10 0.60 -0.24 -0.55 8.25 7.97 2ox3A1 ILE 221 HA -0.43 -0.02 0.28 -0.75 4.18 3.26 2ox3A1 ILE 221 HB 0.08 0.16 0.10 -0.04 1.89 2.19 2ox3A1 ILE 221 HG12 0.06 0.45 0.03 -0.04 1.49 1.99 2ox3A1 ILE 221 HG13 0.29 -0.08 -0.08 -0.04 1.21 1.29 2ox3A1 ILE 221 HG23 -0.04 -0.02 -0.15 -0.04 0.93 0.68 2ox3A1 ILE 221 HD13 0.04 -0.04 -0.12 -0.04 0.88 0.72 2ox3A1 LYS 222 H -0.14 0.55 -0.22 -0.55 8.42 8.05 2ox3A1 LYS 222 HA -0.13 -0.03 0.32 -0.75 4.32 3.72 2ox3A1 LYS 222 HB2 -0.13 0.19 0.13 -0.04 1.87 2.02 2ox3A1 LYS 222 HB3 -0.08 -0.07 -0.02 -0.04 1.79 1.58 2ox3A1 LYS 222 HG2 -0.01 0.34 0.09 -0.04 1.46 1.84 2ox3A1 LYS 222 HG3 -0.04 -0.06 -0.03 -0.04 1.46 1.29 2ox3A1 LYS 222 HD2 -0.06 -0.02 -0.02 -0.04 1.69 1.55 2ox3A1 LYS 222 HD3 -0.08 -0.04 -0.04 -0.04 1.68 1.48 2ox3A1 LYS 222 HE2 0.08 -0.00 -0.05 -0.04 2.99 2.98 2ox3A1 LYS 222 HE3 0.03 -0.01 -0.05 -0.04 2.99 2.92 2ox3A1 PHE 223 H -0.22 0.59 -0.23 -0.55 8.34 7.93 2ox3A1 PHE 223 HA -0.17 -0.05 0.34 -0.75 4.62 3.99 2ox3A1 PHE 223 HB2 -0.39 -0.02 0.06 -0.04 3.15 2.75 2ox3A1 PHE 223 HB3 -0.59 0.23 0.20 -0.04 3.06 2.86 2ox3A1 PHE 223 HD2 -0.07 0.00 -0.11 -0.04 7.28 7.07 2ox3A1 PHE 223 HE2 0.17 -0.01 -0.09 -0.04 7.38 7.40 2ox3A1 PHE 223 HZ 0.13 -0.00 -0.07 -0.04 7.32 7.34 2ox3A1 CYS 224 H -0.42 0.64 -0.13 -0.55 8.50 8.03 2ox3A1 CYS 224 HA -0.66 -0.01 0.32 -0.75 4.58 3.48 2ox3A1 CYS 224 HB2 -0.70 0.21 0.10 -0.04 2.97 2.54 2ox3A1 CYS 224 HB3 -0.37 -0.10 -0.01 -0.04 2.97 2.44 2ox3A1 GLN 225 H -0.29 0.39 -0.41 -0.55 8.47 7.61 2ox3A1 GLN 225 HA -0.15 0.08 0.71 -0.75 4.36 4.25 2ox3A1 GLN 225 HB2 -0.14 0.04 0.04 -0.04 2.15 2.06 2ox3A1 GLN 225 HB3 -0.09 -0.09 0.11 -0.04 2.02 1.91 2ox3A1 GLN 225 HG2 -0.05 -0.03 -0.09 -0.04 2.40 2.19 2ox3A1 GLN 225 HG3 -0.21 0.33 -0.03 -0.04 2.39 2.44 2ox3A1 GLN 225 HE21 -0.04 -0.07 -0.06 -0.04 6.97 6.76 2ox3A1 GLN 225 HE22 0.07 0.00 -0.06 -0.04 7.69 7.66 2ox3A1 GLU 226 H -0.32 0.46 -0.22 -0.55 8.60 7.98 2ox3A1 GLU 226 HA -0.14 -0.02 0.46 -0.75 4.29 3.84 2ox3A1 GLU 226 HB2 -0.34 0.16 0.04 -0.04 2.09 1.91 2ox3A1 GLU 226 HB3 -0.16 -0.08 -0.06 -0.04 1.99 1.65 2ox3A1 GLU 226 HG2 -0.09 -0.09 -0.02 -0.04 2.34 2.10 2ox3A1 GLU 226 HG3 -0.15 0.29 -0.02 -0.04 2.34 2.42 2ox3A1 GLU 227 H -0.10 0.08 0.10 -0.55 8.60 8.13 2ox3A1 GLU 227 HA -0.11 0.28 0.52 -0.75 4.29 4.22 2ox3A1 GLU 227 HB2 -0.07 -0.01 0.15 -0.04 2.09 2.12 2ox3A1 GLU 227 HB3 -0.06 -0.07 0.13 -0.04 1.99 1.95 2ox3A1 GLU 227 HG2 -0.06 0.12 0.07 -0.04 2.34 2.43 2ox3A1 GLU 227 HG3 -0.04 -0.05 0.04 -0.04 2.34 2.25 2ox3A1 ASP 228 H -0.13 0.72 -0.13 -0.55 8.40 8.31 2ox3A1 ASP 228 HA -0.06 0.06 0.57 -0.75 4.63 4.44 2ox3A1 ASP 228 HB2 -0.11 0.13 -0.20 -0.04 2.71 2.49 2ox3A1 ASP 228 HB3 -0.18 0.07 -0.05 -0.04 2.70 2.50 2ox3A1 LYS 229 H -0.04 0.19 0.08 -0.55 8.42 8.10 2ox3A1 LYS 229 HA -0.03 0.14 0.38 -0.75 4.32 4.05 2ox3A1 LYS 229 HB2 -0.02 -0.03 0.05 -0.04 1.87 1.83 2ox3A1 LYS 229 HB3 -0.01 0.04 0.08 -0.04 1.79 1.86 2ox3A1 LYS 229 HG2 -0.02 0.08 0.07 -0.04 1.46 1.55 2ox3A1 LYS 229 HG3 -0.03 -0.03 0.11 -0.04 1.46 1.47 2ox3A1 LYS 229 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 2ox3A1 LYS 229 HD3 -0.01 0.01 0.02 -0.04 1.68 1.65 2ox3A1 LYS 229 HE2 -0.02 0.03 0.01 -0.04 2.99 2.98 2ox3A1 LYS 229 HE3 -0.02 0.00 0.01 -0.04 2.99 2.94 2ox3A1 SER 230 H -0.02 0.02 -0.56 -0.55 8.46 7.35 2ox3A1 SER 230 HA -0.00 0.07 0.40 -0.75 4.49 4.20 2ox3A1 SER 230 HB2 0.00 0.02 0.06 -0.04 3.95 3.99 2ox3A1 SER 230 HB3 -0.01 -0.05 0.05 -0.04 3.93 3.89 2ox3A1 THR 231 H -0.03 0.74 -0.11 -0.55 8.28 8.33 2ox3A1 THR 231 HA 0.04 0.22 0.93 -0.75 4.39 4.83 2ox3A1 THR 231 HB 0.09 0.01 0.13 -0.04 4.32 4.50 2ox3A1 THR 231 HG23 0.05 -0.03 -0.15 -0.04 1.22 1.05 2ox3A1 ASN 232 H 0.00 0.33 -0.23 -0.55 8.53 8.09 2ox3A1 ASN 232 HA 0.03 0.00 0.26 -0.75 4.76 4.30 2ox3A1 ASN 232 HB2 0.23 0.27 0.02 -0.04 2.88 3.35 2ox3A1 ASN 232 HB3 0.15 -0.03 0.16 -0.04 2.79 3.03 2ox3A1 ASN 232 HD21 0.05 -0.04 -0.15 -0.04 7.03 6.85 2ox3A1 ASN 232 HD22 0.12 0.09 -0.28 -0.04 7.74 7.62 2ox3A1 ARG 233 H -0.12 0.08 -0.38 -0.55 8.46 7.50 2ox3A1 ARG 233 HA -0.34 0.18 0.57 -0.75 4.34 4.00 2ox3A1 ARG 233 HB2 -0.33 -0.23 -0.10 -0.04 1.90 1.20 2ox3A1 ARG 233 HB3 -0.50 0.35 -0.02 -0.04 1.80 1.59 2ox3A1 ARG 233 HG2 -1.32 0.04 -0.18 -0.04 1.67 0.17 2ox3A1 ARG 233 HG3 -0.43 0.03 -0.32 -0.04 1.67 0.91 2ox3A1 ARG 233 HD2 -1.14 0.30 -0.09 -0.04 3.22 2.25 2ox3A1 ARG 233 HD3 -1.25 -0.08 -0.15 -0.04 3.22 1.70 2ox3A1 PRO 234 HA -0.31 0.27 0.45 -0.51 4.44 4.34 2ox3A1 PRO 234 HB2 -0.04 0.06 0.06 -0.04 2.28 2.31 2ox3A1 PRO 234 HB3 -0.12 0.13 -0.08 -0.04 2.02 1.91 2ox3A1 PRO 234 HG2 -0.03 -0.02 0.03 -0.04 2.03 1.97 2ox3A1 PRO 234 HG3 -0.05 -0.05 0.03 -0.04 2.03 1.92 2ox3A1 PRO 234 HD2 -0.06 -0.02 0.39 -0.04 3.68 3.94 2ox3A1 PRO 234 HD3 -0.10 0.00 -0.01 -0.04 3.65 3.50 2ox3A1 TYR 235 H -0.12 0.49 0.29 -0.55 8.29 8.40 2ox3A1 TYR 235 HA 0.04 0.24 0.71 -0.75 4.56 4.80 2ox3A1 TYR 235 HB2 0.16 -0.11 -0.02 -0.04 3.06 3.05 2ox3A1 TYR 235 HB3 0.17 0.03 -0.14 -0.04 2.98 3.00 2ox3A1 TYR 235 HD2 -0.04 0.07 0.01 -0.04 7.15 7.15 2ox3A1 TYR 235 HE2 0.11 0.04 -0.05 -0.04 6.85 6.91 2ox3A1 THR 236 H 0.20 0.79 0.49 -0.55 8.28 9.20 2ox3A1 THR 236 HA 0.08 0.10 0.74 -0.75 4.39 4.56 2ox3A1 THR 236 HB 0.05 -0.03 0.11 -0.04 4.32 4.41 2ox3A1 THR 236 HG23 0.02 -0.01 -0.04 -0.04 1.22 1.15 2ox3A1 SER 237 H -0.02 0.17 0.19 -0.55 8.46 8.25 2ox3A1 SER 237 HA -0.52 0.26 1.06 -0.75 4.49 4.54 2ox3A1 SER 237 HB2 -0.34 0.05 0.01 -0.04 3.95 3.63 2ox3A1 SER 237 HB3 -0.10 -0.02 0.17 -0.04 3.93 3.93 2ox3A1 ARG 238 H -0.16 0.57 0.28 -0.55 8.46 8.59 2ox3A1 ARG 238 HA 0.01 0.13 0.77 -0.75 4.34 4.50 2ox3A1 ARG 238 HB2 0.01 0.02 -0.02 -0.04 1.90 1.88 2ox3A1 ARG 238 HB3 0.04 -0.07 -0.06 -0.04 1.80 1.66 2ox3A1 ARG 238 HG2 -0.00 0.00 -0.45 -0.04 1.67 1.17 2ox3A1 ARG 238 HG3 0.02 0.02 -0.11 -0.04 1.67 1.55 2ox3A1 ARG 238 HD2 0.02 -0.08 0.01 -0.04 3.22 3.13 2ox3A1 ARG 238 HD3 0.01 0.16 0.16 -0.04 3.22 3.51 2ox3A1 TYR 239 H 0.10 0.28 -0.02 -0.55 8.29 8.10 2ox3A1 TYR 239 HA 0.05 0.03 0.63 -0.75 4.56 4.51 2ox3A1 TYR 239 HB2 -0.04 0.08 -0.20 -0.04 3.06 2.86 2ox3A1 TYR 239 HB3 0.00 0.04 0.08 -0.04 2.98 3.05 2ox3A1 TYR 239 HD2 0.03 0.06 -0.11 -0.04 7.15 7.09 2ox3A1 TYR 239 HE2 -0.01 0.08 -0.13 -0.04 6.85 6.76 2ox3A1 ILE 240 H -0.09 0.12 0.03 -0.55 8.25 7.76 2ox3A1 ILE 240 HA -0.03 0.21 0.57 -0.75 4.18 4.17 2ox3A1 ILE 240 HB -0.05 -0.11 0.05 -0.04 1.89 1.74 2ox3A1 ILE 240 HG12 0.01 0.08 -0.02 -0.04 1.49 1.52 2ox3A1 ILE 240 HG13 0.01 -0.06 -0.09 -0.04 1.21 1.03 2ox3A1 ILE 240 HG23 -0.01 0.02 -0.09 -0.04 0.93 0.81 2ox3A1 ILE 240 HD13 0.03 0.02 -0.16 -0.04 0.88 0.73 2ox3A1 GLY 241 H -0.52 0.03 -0.10 -0.55 8.43 7.29 2ox3A1 GLY 241 HA2 -0.38 -0.01 0.19 -0.51 4.01 3.30 2ox3A1 GLY 241 HA3 -0.11 0.30 0.73 -0.51 4.01 4.42 2ox3A1 SER 242 H -0.10 0.07 -0.17 -0.55 8.46 7.72 2ox3A1 SER 242 HA -0.01 0.14 0.84 -0.75 4.49 4.71 2ox3A1 SER 242 HB2 0.00 0.32 0.02 -0.04 3.95 4.25 2ox3A1 SER 242 HB3 -0.01 -0.04 -0.01 -0.04 3.93 3.82 2ox3A1 LEU 243 H -0.02 0.22 -0.03 -0.55 8.37 7.99 2ox3A1 LEU 243 HA -0.15 0.07 0.30 -0.75 4.35 3.82 2ox3A1 LEU 243 HB2 -0.09 0.03 0.01 -0.04 1.64 1.55 2ox3A1 LEU 243 HB3 -0.11 -0.03 0.04 -0.04 1.64 1.49 2ox3A1 LEU 243 HG -0.27 0.05 -0.44 -0.04 1.64 0.94 2ox3A1 LEU 243 HD13 -0.68 -0.00 -0.07 -0.04 0.93 0.15 2ox3A1 LEU 243 HD23 -0.18 0.03 -0.12 -0.04 0.89 0.58 2ox3A1 VAL 244 H -0.11 0.09 -0.27 -0.55 8.24 7.40 2ox3A1 VAL 244 HA -0.40 0.15 0.32 -0.75 4.13 3.45 2ox3A1 VAL 244 HB -0.09 -0.05 -0.09 -0.04 2.12 1.84 2ox3A1 VAL 244 HG13 -0.29 0.07 -0.26 -0.04 0.97 0.45 2ox3A1 VAL 244 HG23 -0.17 0.01 -0.11 -0.04 0.95 0.64 2ox3A1 ALA 245 H -0.04 0.07 -0.41 -0.55 8.40 7.47 2ox3A1 ALA 245 HA 0.03 0.13 0.35 -0.75 4.34 4.09 2ox3A1 ALA 245 HB3 0.01 0.01 -0.06 -0.04 1.41 1.34 2ox3A1 ASP 246 H 0.01 0.49 -0.14 -0.55 8.40 8.22 2ox3A1 ASP 246 HA 0.08 0.06 0.41 -0.75 4.63 4.42 2ox3A1 ASP 246 HB2 0.15 0.06 0.04 -0.04 2.71 2.92 2ox3A1 ASP 246 HB3 0.30 0.08 -0.07 -0.04 2.70 2.97 2ox3A1 PHE 247 H 0.09 0.51 -0.24 -0.55 8.34 8.14 2ox3A1 PHE 247 HA 0.01 0.03 0.27 -0.75 4.62 4.18 2ox3A1 PHE 247 HB2 -0.19 0.04 0.03 -0.04 3.15 2.99 2ox3A1 PHE 247 HB3 -0.27 0.05 0.06 -0.04 3.06 2.85 2ox3A1 PHE 247 HD2 -0.05 0.00 -0.26 -0.04 7.28 6.94 2ox3A1 PHE 247 HE2 0.18 0.01 -0.21 -0.04 7.38 7.32 2ox3A1 PHE 247 HZ 0.15 -0.08 -0.33 -0.04 7.32 7.01 2ox3A1 HIS 248 H 0.18 0.50 -0.22 -0.55 8.41 8.32 2ox3A1 HIS 248 HA 0.13 0.05 0.25 -0.75 4.63 4.30 2ox3A1 HIS 248 HB2 0.05 0.10 0.07 -0.04 3.26 3.44 2ox3A1 HIS 248 HB3 0.04 0.02 0.06 -0.04 3.20 3.28 2ox3A1 HIS 248 HD2 0.04 -0.03 -0.15 -0.04 6.97 6.78 2ox3A1 HIS 248 HE1 0.06 0.04 -0.11 -0.04 7.75 7.69 2ox3A1 ARG 249 H 0.08 0.39 -0.31 -0.55 8.46 8.08 2ox3A1 ARG 249 HA -0.07 0.04 0.37 -0.75 4.34 3.93 2ox3A1 ARG 249 HB2 0.05 -0.01 0.07 -0.04 1.90 1.97 2ox3A1 ARG 249 HB3 0.04 0.05 0.07 -0.04 1.80 1.92 2ox3A1 ARG 249 HG2 -0.00 0.03 -0.30 -0.04 1.67 1.36 2ox3A1 ARG 249 HG3 0.01 -0.01 -0.03 -0.04 1.67 1.60 2ox3A1 ARG 249 HD2 0.02 0.02 -0.09 -0.04 3.22 3.13 2ox3A1 ARG 249 HD3 0.03 -0.06 -0.06 -0.04 3.22 3.09 2ox3A1 ASN 250 H -0.02 0.52 -0.21 -0.55 8.53 8.27 2ox3A1 ASN 250 HA -0.01 0.10 0.06 -0.75 4.76 4.16 2ox3A1 ASN 250 HB2 -0.03 0.10 -0.06 -0.04 2.88 2.85 2ox3A1 ASN 250 HB3 0.08 -0.02 -0.26 -0.04 2.79 2.54 2ox3A1 ASN 250 HD21 0.17 -0.02 -0.31 -0.04 7.03 6.83 2ox3A1 ASN 250 HD22 0.16 -0.04 -0.43 -0.04 7.74 7.40 2ox3A1 LEU 251 H -0.31 0.44 -0.47 -0.55 8.37 7.48 2ox3A1 LEU 251 HA -1.14 0.00 0.43 -0.75 4.35 2.89 2ox3A1 LEU 251 HB2 -0.94 -0.11 -0.07 -0.04 1.64 0.48 2ox3A1 LEU 251 HB3 -0.44 0.10 0.03 -0.04 1.64 1.29 2ox3A1 LEU 251 HG -0.40 0.09 -0.41 -0.04 1.64 0.88 2ox3A1 LEU 251 HD13 -0.88 0.01 -0.13 -0.04 0.93 -0.11 2ox3A1 LEU 251 HD23 -0.13 -0.03 -0.16 -0.04 0.89 0.52 2ox3A1 LEU 252 H -0.28 0.34 -0.10 -0.55 8.37 7.79 2ox3A1 LEU 252 HA -0.19 0.16 0.53 -0.75 4.35 4.10 2ox3A1 LEU 252 HB2 -0.19 0.02 0.17 -0.04 1.64 1.60 2ox3A1 LEU 252 HB3 -0.12 -0.06 -0.01 -0.04 1.64 1.41 2ox3A1 LEU 252 HG -0.43 0.04 -0.02 -0.04 1.64 1.20 2ox3A1 LEU 252 HD13 -0.21 -0.04 -0.07 -0.04 0.93 0.57 2ox3A1 LEU 252 HD23 -0.15 0.01 -0.05 -0.04 0.89 0.67 2ox3A1 LYS 253 H -0.09 0.66 0.03 -0.55 8.42 8.46 2ox3A1 LYS 253 HA -0.02 0.16 0.88 -0.75 4.32 4.58 2ox3A1 LYS 253 HB2 -0.02 0.04 -0.01 -0.04 1.87 1.84 2ox3A1 LYS 253 HB3 -0.00 -0.06 0.12 -0.04 1.79 1.81 2ox3A1 LYS 253 HG2 -0.04 -0.03 -0.07 -0.04 1.46 1.28 2ox3A1 LYS 253 HG3 -0.01 -0.09 -0.02 -0.04 1.46 1.30 2ox3A1 LYS 253 HD2 -0.01 -0.04 0.01 -0.04 1.69 1.61 2ox3A1 LYS 253 HD3 -0.02 0.15 -0.09 -0.04 1.68 1.68 2ox3A1 LYS 253 HE2 -0.03 0.00 -0.09 -0.04 2.99 2.84 2ox3A1 LYS 253 HE3 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2ox3A1 GLY 254 H -0.01 0.35 -0.25 -0.55 8.43 7.97 2ox3A1 GLY 254 HA2 0.18 0.02 0.48 -0.51 4.01 4.18 2ox3A1 GLY 254 HA3 0.08 0.18 0.73 -0.51 4.01 4.49 2ox3A1 GLY 255 H 0.08 0.21 0.31 -0.55 8.43 8.49 2ox3A1 GLY 255 HA2 -0.04 -0.04 0.48 -0.51 4.01 3.90 2ox3A1 GLY 255 HA3 0.03 0.11 0.65 -0.51 4.01 4.29 2ox3A1 ILE 256 H 0.06 0.53 0.38 -0.55 8.25 8.66 2ox3A1 ILE 256 HA 0.03 0.26 1.10 -0.75 4.18 4.81 2ox3A1 ILE 256 HB -0.04 0.06 -0.10 -0.04 1.89 1.77 2ox3A1 ILE 256 HG12 0.10 -0.06 -0.41 -0.04 1.49 1.08 2ox3A1 ILE 256 HG13 0.01 0.09 -0.10 -0.04 1.21 1.17 2ox3A1 ILE 256 HG23 0.17 -0.01 0.04 -0.04 0.93 1.09 2ox3A1 ILE 256 HD13 -0.05 0.00 -0.13 -0.04 0.88 0.66 2ox3A1 TYR 257 H 0.17 0.80 0.40 -0.55 8.29 9.11 2ox3A1 TYR 257 HA 0.14 0.17 1.06 -0.75 4.56 5.17 2ox3A1 TYR 257 HB2 0.14 -0.01 -0.07 -0.04 3.06 3.08 2ox3A1 TYR 257 HB3 0.12 0.04 0.13 -0.04 2.98 3.22 2ox3A1 TYR 257 HD2 0.17 -0.04 -0.21 -0.04 7.15 7.03 2ox3A1 TYR 257 HE2 0.29 -0.09 -0.17 -0.04 6.85 6.84 2ox3A1 LEU 258 H -0.36 0.80 0.41 -0.55 8.37 8.68 2ox3A1 LEU 258 HA -0.21 0.33 1.22 -0.75 4.35 4.93 2ox3A1 LEU 258 HB2 -0.13 -0.06 0.04 -0.04 1.64 1.46 2ox3A1 LEU 258 HB3 0.01 -0.02 0.03 -0.04 1.64 1.62 2ox3A1 LEU 258 HG 0.18 0.05 -0.31 -0.04 1.64 1.52 2ox3A1 LEU 258 HD13 0.18 0.00 -0.21 -0.04 0.93 0.86 2ox3A1 LEU 258 HD23 0.17 -0.00 -0.11 -0.04 0.89 0.91 2ox3A1 TYR 259 H -0.40 0.60 0.18 -0.55 8.29 8.11 2ox3A1 TYR 259 HA -0.14 0.09 0.68 -0.75 4.56 4.44 2ox3A1 TYR 259 HB2 0.04 0.02 -0.10 -0.04 3.06 2.97 2ox3A1 TYR 259 HB3 0.08 -0.06 0.29 -0.04 2.98 3.25 2ox3A1 TYR 259 HD2 0.15 0.09 -0.09 -0.04 7.15 7.26 2ox3A1 TYR 259 HE2 0.17 0.00 -0.02 -0.04 6.85 6.97 2ox3A1 PRO 260 HA 0.01 0.04 0.62 -0.51 4.44 4.59 2ox3A1 PRO 260 HB2 0.11 0.11 0.18 -0.04 2.28 2.63 2ox3A1 PRO 260 HB3 0.22 -0.00 0.09 -0.04 2.02 2.29 2ox3A1 PRO 260 HG2 -0.09 0.13 -0.14 -0.04 2.03 1.89 2ox3A1 PRO 260 HG3 -0.88 0.03 -0.01 -0.04 2.03 1.13 2ox3A1 PRO 260 HD2 -0.41 0.08 0.06 -0.04 3.68 3.37 2ox3A1 PRO 260 HD3 -0.35 0.09 -0.08 -0.04 3.65 3.27 2ox3A1 SER 261 H 0.16 0.09 0.19 -0.55 8.46 8.36 2ox3A1 SER 261 HA 0.21 -0.02 0.55 -0.75 4.49 4.46 2ox3A1 SER 261 HB2 0.13 0.21 0.17 -0.04 3.95 4.41 2ox3A1 SER 261 HB3 0.13 -0.07 0.12 -0.04 3.93 4.07 2ox3A1 THR 262 H 0.21 0.49 0.11 -0.55 8.28 8.54 2ox3A1 THR 262 HA 0.15 0.40 0.63 -0.75 4.39 4.82 2ox3A1 THR 262 HB 0.08 -0.21 0.15 -0.04 4.32 4.29 2ox3A1 THR 262 HG23 0.28 0.07 -0.25 -0.04 1.22 1.28 2ox3A1 ALA 263 H 0.02 0.12 0.10 -0.55 8.40 8.09 2ox3A1 ALA 263 HA 0.02 0.17 0.45 -0.75 4.34 4.21 2ox3A1 ALA 263 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 2ox3A1 SER 264 H -0.02 0.01 -0.04 -0.55 8.46 7.86 2ox3A1 SER 264 HA -0.14 0.13 0.40 -0.75 4.49 4.13 2ox3A1 SER 264 HB2 -0.21 -0.04 -0.01 -0.04 3.95 3.65 2ox3A1 SER 264 HB3 -0.40 0.05 0.02 -0.04 3.93 3.56 2ox3A1 HIS 265 H 0.07 -0.07 -0.57 -0.55 8.41 7.29 2ox3A1 HIS 265 HA 0.06 0.30 0.87 -0.75 4.63 5.10 2ox3A1 HIS 265 HB2 0.17 -0.14 -0.10 -0.04 3.26 3.15 2ox3A1 HIS 265 HB3 0.07 0.48 -0.39 -0.04 3.20 3.32 2ox3A1 HIS 265 HD2 0.03 0.09 0.00 -0.04 6.97 7.05 2ox3A1 HIS 265 HE1 0.09 -0.03 -0.07 -0.04 7.75 7.70 2ox3A1 PRO 266 HA 0.09 0.15 0.46 -0.51 4.44 4.63 2ox3A1 PRO 266 HB2 0.06 -0.02 0.05 -0.04 2.28 2.33 2ox3A1 PRO 266 HB3 0.05 0.02 0.09 -0.04 2.02 2.14 2ox3A1 PRO 266 HG2 0.04 0.01 0.05 -0.04 2.03 2.09 2ox3A1 PRO 266 HG3 0.04 0.13 0.04 -0.04 2.03 2.20 2ox3A1 PRO 266 HD2 0.08 0.08 0.12 -0.04 3.68 3.92 2ox3A1 PRO 266 HD3 0.02 0.26 -0.42 -0.04 3.65 3.48 2ox3A1 ASP 267 H 0.11 0.17 -0.28 -0.55 8.40 7.86 2ox3A1 ASP 267 HA 0.08 0.17 0.83 -0.75 4.63 4.96 2ox3A1 ASP 267 HB2 0.06 0.01 0.00 -0.04 2.71 2.75 2ox3A1 ASP 267 HB3 0.05 0.07 0.05 -0.04 2.70 2.83 2ox3A1 GLY 268 H 0.15 0.34 -0.41 -0.55 8.43 7.97 2ox3A1 GLY 268 HA2 0.19 0.17 0.01 -0.51 4.01 3.86 2ox3A1 GLY 268 HA3 0.06 0.14 0.13 -0.51 4.01 3.83 2ox3A1 LYS 269 H -0.31 0.10 0.09 -0.55 8.42 7.75 2ox3A1 LYS 269 HA -0.56 0.23 0.88 -0.75 4.32 4.12 2ox3A1 LYS 269 HB2 -0.80 -0.02 -0.03 -0.04 1.87 0.98 2ox3A1 LYS 269 HB3 -1.37 -0.04 0.09 -0.04 1.79 0.43 2ox3A1 LYS 269 HG2 -0.44 -0.01 -0.28 -0.04 1.46 0.69 2ox3A1 LYS 269 HG3 -0.80 0.04 0.00 -0.04 1.46 0.66 2ox3A1 LYS 269 HD2 -0.05 -0.00 -0.03 -0.04 1.69 1.57 2ox3A1 LYS 269 HD3 -0.38 -0.03 -0.04 -0.04 1.68 1.18 2ox3A1 LYS 269 HE2 -0.10 -0.03 -0.03 -0.04 2.99 2.79 2ox3A1 LYS 269 HE3 -0.03 0.04 -0.01 -0.04 2.99 2.95 2ox3A1 LEU 270 H -0.35 0.04 0.12 -0.55 8.37 7.63 2ox3A1 LEU 270 HA -0.20 -0.00 0.39 -0.75 4.35 3.78 2ox3A1 LEU 270 HB2 -0.22 0.16 -0.01 -0.04 1.64 1.53 2ox3A1 LEU 270 HB3 -0.24 -0.02 0.03 -0.04 1.64 1.36 2ox3A1 LEU 270 HG -0.18 -0.01 0.12 -0.04 1.64 1.53 2ox3A1 LEU 270 HD13 0.07 0.01 -0.07 -0.04 0.93 0.90 2ox3A1 LEU 270 HD23 -0.20 -0.03 -0.04 -0.04 0.89 0.58 2ox3A1 ARG 271 H -0.08 0.05 0.17 -0.55 8.46 8.04 2ox3A1 ARG 271 HA -0.01 0.33 0.60 -0.75 4.34 4.51 2ox3A1 ARG 271 HB2 0.13 -0.20 0.10 -0.04 1.90 1.89 2ox3A1 ARG 271 HB3 0.19 0.06 0.06 -0.04 1.80 2.06 2ox3A1 ARG 271 HG2 0.01 -0.06 0.09 -0.04 1.67 1.67 2ox3A1 ARG 271 HG3 0.13 -0.01 0.06 -0.04 1.67 1.80 2ox3A1 ARG 271 HD2 0.17 0.03 -0.03 -0.04 3.22 3.35 2ox3A1 ARG 271 HD3 0.04 0.10 -0.14 -0.04 3.22 3.18 2ox3A1 LEU 272 H -0.05 0.88 0.26 -0.55 8.37 8.91 2ox3A1 LEU 272 HA -0.11 0.02 0.33 -0.75 4.35 3.83 2ox3A1 LEU 272 HB2 -0.03 0.07 -0.15 -0.04 1.64 1.48 2ox3A1 LEU 272 HB3 -0.06 0.02 0.05 -0.04 1.64 1.60 2ox3A1 LEU 272 HG -0.04 0.03 -0.29 -0.04 1.64 1.30 2ox3A1 LEU 272 HD13 -0.00 -0.00 -0.04 -0.04 0.93 0.85 2ox3A1 LEU 272 HD23 -0.01 0.01 -0.15 -0.04 0.89 0.69 2ox3A1 LEU 273 H -0.18 0.15 -0.07 -0.55 8.37 7.73 2ox3A1 LEU 273 HA -0.11 0.18 0.57 -0.75 4.35 4.25 2ox3A1 LEU 273 HB2 -0.75 -0.01 0.08 -0.04 1.64 0.92 2ox3A1 LEU 273 HB3 -0.32 0.09 0.03 -0.04 1.64 1.39 2ox3A1 LEU 273 HG -0.18 -0.14 0.05 -0.04 1.64 1.33 2ox3A1 LEU 273 HD13 -0.25 0.13 0.07 -0.04 0.93 0.83 2ox3A1 LEU 273 HD23 -0.12 0.03 -0.07 -0.04 0.89 0.69 2ox3A1 TYR 274 H -0.14 0.01 -0.13 -0.55 8.29 7.48 2ox3A1 TYR 274 HA -0.00 0.23 0.53 -0.75 4.56 4.56 2ox3A1 TYR 274 HB2 -0.06 -0.07 -0.01 -0.04 3.06 2.88 2ox3A1 TYR 274 HB3 -0.03 0.10 0.06 -0.04 2.98 3.07 2ox3A1 TYR 274 HD2 -0.06 -0.02 0.01 -0.04 7.15 7.04 2ox3A1 TYR 274 HE2 -0.33 -0.01 -0.33 -0.04 6.85 6.13 2ox3A1 GLU 275 H -0.06 0.17 -0.31 -0.55 8.60 7.86 2ox3A1 GLU 275 HA -0.10 0.25 0.93 -0.75 4.29 4.62 2ox3A1 GLU 275 HB2 -0.19 0.05 0.12 -0.04 2.09 2.03 2ox3A1 GLU 275 HB3 -0.21 -0.03 -0.05 -0.04 1.99 1.65 2ox3A1 GLU 275 HG2 -0.06 0.08 -0.11 -0.04 2.34 2.20 2ox3A1 GLU 275 HG3 0.00 -0.09 -0.35 -0.04 2.34 1.86 2ox3A1 CYS 276 H -0.28 0.45 0.09 -0.55 8.50 8.20 2ox3A1 CYS 276 HA -1.09 0.00 0.30 -0.75 4.58 3.05 2ox3A1 CYS 276 HB2 -0.20 0.09 0.19 -0.04 2.97 3.00 2ox3A1 CYS 276 HB3 -0.20 -0.03 -0.09 -0.04 2.97 2.60 2ox3A1 ASN 277 H -0.08 0.50 -0.03 -0.55 8.53 8.38 2ox3A1 ASN 277 HA 0.06 -0.06 0.31 -0.75 4.76 4.31 2ox3A1 ASN 277 HB2 0.02 0.14 0.13 -0.04 2.88 3.13 2ox3A1 ASN 277 HB3 0.05 -0.01 -0.05 -0.04 2.79 2.74 2ox3A1 ASN 277 HD21 0.02 -0.05 -0.00 -0.04 7.03 6.95 2ox3A1 ASN 277 HD22 0.03 0.06 -0.01 -0.04 7.74 7.78 2ox3A1 PRO 278 HA 0.07 0.03 0.30 -0.51 4.44 4.33 2ox3A1 PRO 278 HB2 -0.12 -0.00 0.10 -0.04 2.28 2.22 2ox3A1 PRO 278 HB3 -0.06 0.05 0.05 -0.04 2.02 2.01 2ox3A1 PRO 278 HG2 -0.09 0.22 -0.21 -0.04 2.03 1.91 2ox3A1 PRO 278 HG3 -0.02 0.10 -0.33 -0.04 2.03 1.74 2ox3A1 PRO 278 HD2 -0.05 -0.13 -0.61 -0.04 3.68 2.86 2ox3A1 PRO 278 HD3 0.01 0.19 -0.10 -0.04 3.65 3.71 2ox3A1 ALA 280 HA 0.29 -0.17 0.29 -0.75 4.34 4.00 2ox3A1 ALA 280 HB3 0.25 0.01 0.02 -0.04 1.41 1.65 2ox3A1 PHE 281 H 0.25 0.81 -0.66 -0.55 8.34 8.19 2ox3A1 PHE 281 HA 0.05 -0.04 0.33 -0.75 4.62 4.20 2ox3A1 PHE 281 HB2 -0.01 0.08 0.01 -0.04 3.15 3.19 2ox3A1 PHE 281 HB3 -0.02 0.11 0.05 -0.04 3.06 3.16 2ox3A1 PHE 281 HD2 -0.02 -0.05 -0.09 -0.04 7.28 7.08 2ox3A1 PHE 281 HE2 0.01 -0.04 -0.34 -0.04 7.38 6.97 2ox3A1 PHE 281 HZ 0.02 0.08 -0.54 -0.04 7.32 6.84 2ox3A1 LEU 282 H 0.13 0.57 0.17 -0.55 8.37 8.70 2ox3A1 LEU 282 HA -0.09 0.05 0.37 -0.75 4.35 3.92 2ox3A1 LEU 282 HB2 0.10 0.01 -0.14 -0.04 1.64 1.58 2ox3A1 LEU 282 HB3 0.25 -0.02 -0.22 -0.04 1.64 1.61 2ox3A1 LEU 282 HG -0.12 0.12 -0.13 -0.04 1.64 1.47 2ox3A1 LEU 282 HD13 -0.00 -0.04 -0.18 -0.04 0.93 0.67 2ox3A1 LEU 282 HD23 -0.19 0.01 -0.20 -0.04 0.89 0.46 2ox3A1 ALA 283 H 0.40 0.18 -0.24 -0.55 8.40 8.19 2ox3A1 ALA 283 HA 0.52 0.07 0.26 -0.75 4.34 4.43 2ox3A1 ALA 283 HB3 0.33 0.01 -0.05 -0.04 1.41 1.66 2ox3A1 GLU 284 H 0.21 0.66 -0.28 -0.55 8.60 8.63 2ox3A1 GLU 284 HA 0.10 0.20 0.25 -0.75 4.29 4.10 2ox3A1 GLU 284 HB2 0.20 0.16 0.08 -0.04 2.09 2.48 2ox3A1 GLU 284 HB3 0.14 -0.01 -0.07 -0.04 1.99 2.02 2ox3A1 GLU 284 HG2 0.07 0.09 0.04 -0.04 2.34 2.50 2ox3A1 GLU 284 HG3 0.10 -0.10 -0.02 -0.04 2.34 2.28 2ox3A1 GLN 285 H 0.11 0.47 -0.24 -0.55 8.47 8.26 2ox3A1 GLN 285 HA 0.06 0.03 0.39 -0.75 4.36 4.08 2ox3A1 GLN 285 HB2 -0.12 0.14 0.05 -0.04 2.15 2.18 2ox3A1 GLN 285 HB3 -0.12 -0.19 -0.06 -0.04 2.02 1.62 2ox3A1 GLN 285 HG2 0.08 0.21 0.07 -0.04 2.40 2.72 2ox3A1 GLN 285 HG3 -0.44 -0.13 -0.05 -0.04 2.39 1.73 2ox3A1 GLN 285 HE21 0.18 0.16 0.03 -0.04 6.97 7.29 2ox3A1 GLN 285 HE22 0.46 0.05 -0.01 -0.04 7.69 8.15 2ox3A1 ALA 286 H 0.15 0.33 -0.73 -0.55 8.40 7.60 2ox3A1 ALA 286 HA 0.02 0.12 0.77 -0.75 4.34 4.49 2ox3A1 ALA 286 HB3 0.01 0.00 0.08 -0.04 1.41 1.47 2ox3A1 GLY 287 H 0.12 0.52 -0.20 -0.55 8.43 8.33 2ox3A1 GLY 287 HA2 0.07 0.00 0.35 -0.51 4.01 3.93 2ox3A1 GLY 287 HA3 0.11 0.11 0.71 -0.51 4.01 4.43 2ox3A1 GLY 288 H 0.18 0.48 -0.01 -0.55 8.43 8.54 2ox3A1 GLY 288 HA2 -0.42 0.03 0.69 -0.51 4.01 3.79 2ox3A1 GLY 288 HA3 -0.65 -0.03 0.23 -0.51 4.01 3.05 2ox3A1 LYS 289 H -0.27 0.54 0.23 -0.55 8.42 8.37 2ox3A1 LYS 289 HA -0.02 0.09 0.72 -0.75 4.32 4.35 2ox3A1 LYS 289 HB2 -0.08 0.06 -0.24 -0.04 1.87 1.58 2ox3A1 LYS 289 HB3 -0.12 0.07 -0.05 -0.04 1.79 1.65 2ox3A1 LYS 289 HG2 -0.04 -0.05 -0.27 -0.04 1.46 1.06 2ox3A1 LYS 289 HG3 -0.02 -0.02 -0.01 -0.04 1.46 1.37 2ox3A1 LYS 289 HD2 -0.04 0.02 -0.07 -0.04 1.69 1.56 2ox3A1 LYS 289 HD3 -0.07 0.09 -0.07 -0.04 1.68 1.60 2ox3A1 LYS 289 HE2 -0.04 0.00 -0.14 -0.04 2.99 2.77 2ox3A1 LYS 289 HE3 -0.05 -0.05 -0.24 -0.04 2.99 2.62 2ox3A1 ALA 290 H 0.02 0.20 0.14 -0.55 8.40 8.22 2ox3A1 ALA 290 HA -0.11 0.31 1.12 -0.75 4.34 4.91 2ox3A1 ALA 290 HB3 0.12 0.00 0.07 -0.04 1.41 1.56 2ox3A1 SER 291 H -0.02 0.85 0.37 -0.55 8.46 9.11 2ox3A1 SER 291 HA 0.10 0.13 0.95 -0.75 4.49 4.92 2ox3A1 SER 291 HB2 0.03 0.08 -0.25 -0.04 3.95 3.77 2ox3A1 SER 291 HB3 0.03 0.13 -0.09 -0.04 3.93 3.96 2ox3A1 ASP 292 H 0.14 0.39 0.17 -0.55 8.40 8.56 2ox3A1 ASP 292 HA 0.27 0.32 0.55 -0.75 4.63 5.02 2ox3A1 ASP 292 HB2 0.16 -0.02 0.20 -0.04 2.71 3.00 2ox3A1 ASP 292 HB3 0.16 0.06 0.05 -0.04 2.70 2.93 2ox3A1 GLY 293 H 0.19 0.08 -0.40 -0.55 8.43 7.76 2ox3A1 GLY 293 HA2 -0.32 0.06 0.15 -0.51 4.01 3.38 2ox3A1 GLY 293 HA3 0.00 0.20 0.70 -0.51 4.01 4.40 2ox3A1 LYS 294 H 0.07 -0.09 -0.29 -0.55 8.42 7.55 2ox3A1 LYS 294 HA -0.02 0.26 0.83 -0.75 4.32 4.64 2ox3A1 LYS 294 HB2 0.03 -0.10 0.03 -0.04 1.87 1.79 2ox3A1 LYS 294 HB3 0.01 0.04 -0.03 -0.04 1.79 1.76 2ox3A1 LYS 294 HG2 -0.00 0.11 -0.14 -0.04 1.46 1.39 2ox3A1 LYS 294 HG3 0.02 -0.10 -0.66 -0.04 1.46 0.68 2ox3A1 LYS 294 HD2 0.04 -0.03 -0.07 -0.04 1.69 1.60 2ox3A1 LYS 294 HD3 0.02 0.01 -0.05 -0.04 1.68 1.61 2ox3A1 LYS 294 HE2 0.02 0.06 -0.07 -0.04 2.99 2.95 2ox3A1 LYS 294 HE3 0.04 -0.01 -0.07 -0.04 2.99 2.90 2ox3A1 GLU 295 H 0.05 0.05 0.08 -0.55 8.60 8.23 2ox3A1 GLU 295 HA 0.02 0.32 1.00 -0.75 4.29 4.88 2ox3A1 GLU 295 HB2 0.03 0.10 -0.04 -0.04 2.09 2.14 2ox3A1 GLU 295 HB3 0.02 0.07 0.01 -0.04 1.99 2.05 2ox3A1 GLU 295 HG2 0.04 -0.04 -0.00 -0.04 2.34 2.29 2ox3A1 GLU 295 HG3 0.05 -0.06 -0.03 -0.04 2.34 2.27 2ox3A1 ARG 296 H 0.03 0.18 0.12 -0.55 8.46 8.24 2ox3A1 ARG 296 HA 0.05 0.20 0.61 -0.75 4.34 4.45 2ox3A1 ARG 296 HB2 0.02 0.08 0.13 -0.04 1.90 2.09 2ox3A1 ARG 296 HB3 0.03 -0.03 0.15 -0.04 1.80 1.90 2ox3A1 ARG 296 HG2 0.05 -0.23 -0.11 -0.04 1.67 1.34 2ox3A1 ARG 296 HG3 0.04 0.10 0.07 -0.04 1.67 1.84 2ox3A1 ARG 296 HD2 0.02 0.05 -0.00 -0.04 3.22 3.25 2ox3A1 ARG 296 HD3 0.02 -0.05 -0.08 -0.04 3.22 3.08 2ox3A1 ILE 297 H 0.10 0.44 0.26 -0.55 8.25 8.50 2ox3A1 ILE 297 HA 0.10 0.03 0.28 -0.75 4.18 3.84 2ox3A1 ILE 297 HB 0.19 0.03 -0.00 -0.04 1.89 2.07 2ox3A1 ILE 297 HG12 0.20 -0.10 -0.24 -0.04 1.49 1.30 2ox3A1 ILE 297 HG13 0.50 0.04 -0.22 -0.04 1.21 1.48 2ox3A1 ILE 297 HG23 0.14 0.03 -0.35 -0.04 0.93 0.71 2ox3A1 ILE 297 HD13 0.23 0.03 -0.13 -0.04 0.88 0.97 2ox3A1 LEU 298 H 0.08 0.13 -0.23 -0.55 8.37 7.79 2ox3A1 LEU 298 HA 0.04 0.05 0.36 -0.75 4.35 4.04 2ox3A1 LEU 298 HB2 0.03 -0.01 -0.06 -0.04 1.64 1.56 2ox3A1 LEU 298 HB3 -0.01 0.02 -0.10 -0.04 1.64 1.51 2ox3A1 LEU 298 HG 0.09 -0.06 -0.11 -0.04 1.64 1.52 2ox3A1 LEU 298 HD13 0.05 0.02 -0.17 -0.04 0.93 0.79 2ox3A1 LEU 298 HD23 0.02 0.05 -0.20 -0.04 0.89 0.72 2ox3A1 ASP 299 H 0.03 0.41 -0.46 -0.55 8.40 7.84 2ox3A1 ASP 299 HA 0.01 0.20 0.87 -0.75 4.63 4.95 2ox3A1 ASP 299 HB2 0.02 0.00 0.04 -0.04 2.71 2.73 2ox3A1 ASP 299 HB3 0.01 -0.01 0.12 -0.04 2.70 2.78 2ox3A1 ILE 300 H 0.03 0.37 -0.19 -0.55 8.25 7.91 2ox3A1 ILE 300 HA 0.02 0.01 0.51 -0.75 4.18 3.96 2ox3A1 ILE 300 HB 0.02 0.08 0.06 -0.04 1.89 2.02 2ox3A1 ILE 300 HG12 0.04 -0.05 -0.09 -0.04 1.49 1.34 2ox3A1 ILE 300 HG13 0.05 0.14 -0.05 -0.04 1.21 1.30 2ox3A1 ILE 300 HG23 0.02 -0.01 -0.22 -0.04 0.93 0.68 2ox3A1 ILE 300 HD13 0.06 -0.03 -0.08 -0.04 0.88 0.80 2ox3A1 ILE 301 H 0.00 0.09 0.13 -0.55 8.25 7.93 2ox3A1 ILE 301 HA -0.01 0.18 0.62 -0.75 4.18 4.21 2ox3A1 ILE 301 HB -0.00 -0.08 0.13 -0.04 1.89 1.89 2ox3A1 ILE 301 HG12 -0.00 -0.02 0.09 -0.04 1.49 1.52 2ox3A1 ILE 301 HG13 -0.00 -0.04 0.04 -0.04 1.21 1.16 2ox3A1 ILE 301 HG23 -0.02 0.05 -0.05 -0.04 0.93 0.88 2ox3A1 ILE 301 HD13 -0.01 0.01 -0.08 -0.04 0.88 0.77 2ox3A1 PRO 302 HA -0.02 -0.07 0.39 -0.51 4.44 4.23 2ox3A1 PRO 302 HB2 -0.06 0.06 -0.09 -0.04 2.28 2.15 2ox3A1 PRO 302 HB3 -0.07 -0.03 -0.01 -0.04 2.02 1.87 2ox3A1 PRO 302 HG2 -0.08 0.25 -0.32 -0.04 2.03 1.83 2ox3A1 PRO 302 HG3 -0.04 -0.05 -0.12 -0.04 2.03 1.78 2ox3A1 PRO 302 HD2 -0.05 0.26 -0.05 -0.04 3.68 3.80 2ox3A1 PRO 302 HD3 -0.03 0.30 0.18 -0.04 3.65 4.06 2ox3A1 GLU 303 H -0.01 -0.03 0.21 -0.55 8.60 8.22 2ox3A1 GLU 303 HA -0.01 0.23 0.87 -0.75 4.29 4.63 2ox3A1 GLU 303 HB2 0.00 -0.08 0.12 -0.04 2.09 2.09 2ox3A1 GLU 303 HB3 0.00 -0.02 0.05 -0.04 1.99 1.98 2ox3A1 GLU 303 HG2 -0.00 0.05 -0.07 -0.04 2.34 2.28 2ox3A1 GLU 303 HG3 -0.00 0.12 -0.09 -0.04 2.34 2.33 2ox3A1 THR 304 H -0.01 0.06 0.21 -0.55 8.28 7.99 2ox3A1 THR 304 HA 0.01 0.26 0.85 -0.75 4.39 4.74 2ox3A1 THR 304 HB 0.05 -0.07 0.10 -0.04 4.32 4.36 2ox3A1 THR 304 HG23 0.02 0.03 -0.17 -0.04 1.22 1.05 2ox3A1 LEU 305 H 0.03 0.17 0.13 -0.55 8.37 8.16 2ox3A1 LEU 305 HA -0.12 0.16 0.40 -0.75 4.35 4.04 2ox3A1 LEU 305 HB2 0.04 -0.04 0.16 -0.04 1.64 1.76 2ox3A1 LEU 305 HB3 -0.05 0.12 -0.05 -0.04 1.64 1.62 2ox3A1 LEU 305 HG -0.06 -0.04 -0.04 -0.04 1.64 1.46 2ox3A1 LEU 305 HD13 -0.06 0.02 -0.09 -0.04 0.93 0.75 2ox3A1 LEU 305 HD23 -0.19 0.02 -0.03 -0.04 0.89 0.64 2ox3A1 HIS 306 H 0.17 0.04 -0.12 -0.55 8.41 7.95 2ox3A1 HIS 306 HA 0.15 0.23 0.91 -0.75 4.63 5.17 2ox3A1 HIS 306 HB2 0.04 -0.04 0.08 -0.04 3.26 3.30 2ox3A1 HIS 306 HB3 0.05 0.03 0.17 -0.04 3.20 3.41 2ox3A1 HIS 306 HD2 0.01 -0.03 0.03 -0.04 6.97 6.94 2ox3A1 HIS 306 HE1 0.02 0.24 0.09 -0.04 7.75 8.05 2ox3A1 GLN 307 H 0.01 0.24 -0.48 -0.55 8.47 7.70 2ox3A1 GLN 307 HA 0.04 0.02 0.39 -0.75 4.36 4.06 2ox3A1 GLN 307 HB2 0.00 -0.16 0.16 -0.04 2.15 2.11 2ox3A1 GLN 307 HB3 -0.02 -0.01 0.11 -0.04 2.02 2.06 2ox3A1 GLN 307 HG2 0.01 0.34 -0.06 -0.04 2.40 2.65 2ox3A1 GLN 307 HG3 0.02 -0.02 0.10 -0.04 2.39 2.44 2ox3A1 GLN 307 HE21 0.01 0.05 -0.02 -0.04 6.97 6.96 2ox3A1 GLN 307 HE22 0.02 0.12 0.02 -0.04 7.69 7.80 2ox3A1 ARG 308 H 0.03 0.07 0.22 -0.55 8.46 8.23 2ox3A1 ARG 308 HA -0.02 0.14 0.91 -0.75 4.34 4.61 2ox3A1 ARG 308 HB2 0.03 -0.12 -0.06 -0.04 1.90 1.71 2ox3A1 ARG 308 HB3 -0.03 0.07 -0.32 -0.04 1.80 1.48 2ox3A1 ARG 308 HG2 -0.02 0.06 -0.25 -0.04 1.67 1.42 2ox3A1 ARG 308 HG3 0.04 -0.00 -0.06 -0.04 1.67 1.61 2ox3A1 ARG 308 HD2 0.07 -0.11 -0.02 -0.04 3.22 3.12 2ox3A1 ARG 308 HD3 -0.03 0.11 0.02 -0.04 3.22 3.28 2ox3A1 ARG 309 H -0.04 0.44 0.10 -0.55 8.46 8.41 2ox3A1 ARG 309 HA 0.04 0.06 0.61 -0.75 4.34 4.30 2ox3A1 ARG 309 HB2 0.01 -0.02 -0.41 -0.04 1.90 1.44 2ox3A1 ARG 309 HB3 0.00 -0.05 -0.15 -0.04 1.80 1.57 2ox3A1 ARG 309 HG2 0.07 -0.07 -0.03 -0.04 1.67 1.60 2ox3A1 ARG 309 HG3 0.09 0.12 0.09 -0.04 1.67 1.92 2ox3A1 ARG 309 HD2 0.06 -0.01 0.17 -0.04 3.22 3.40 2ox3A1 ARG 309 HD3 0.04 0.04 0.06 -0.04 3.22 3.31 2ox3A1 SER 310 H 0.09 0.07 0.10 -0.55 8.46 8.18 2ox3A1 SER 310 HA 0.05 0.12 0.55 -0.75 4.49 4.45 2ox3A1 SER 310 HB2 0.19 0.11 0.15 -0.04 3.95 4.36 2ox3A1 SER 310 HB3 0.08 -0.04 0.05 -0.04 3.93 3.98 2ox3A1 PHE 311 H -0.22 0.41 0.21 -0.55 8.34 8.19 2ox3A1 PHE 311 HA -0.06 0.23 0.90 -0.75 4.62 4.94 2ox3A1 PHE 311 HB2 -0.01 0.08 -0.20 -0.04 3.15 2.98 2ox3A1 PHE 311 HB3 0.08 -0.10 0.07 -0.04 3.06 3.07 2ox3A1 PHE 311 HD2 0.11 -0.01 -0.09 -0.04 7.28 7.26 2ox3A1 PHE 311 HE2 0.02 -0.01 -0.09 -0.04 7.38 7.25 2ox3A1 PHE 311 HZ 0.06 0.21 0.02 -0.04 7.32 7.56 2ox3A1 PHE 312 H -0.16 0.68 0.27 -0.55 8.34 8.58 2ox3A1 PHE 312 HA -0.10 0.28 0.93 -0.75 4.62 4.98 2ox3A1 PHE 312 HB2 -0.11 -0.10 0.07 -0.04 3.15 2.97 2ox3A1 PHE 312 HB3 -0.15 0.05 0.01 -0.04 3.06 2.93 2ox3A1 PHE 312 HD2 -0.07 -0.02 -0.32 -0.04 7.28 6.82 2ox3A1 PHE 312 HE2 -0.07 0.08 -0.27 -0.04 7.38 7.08 2ox3A1 PHE 312 HZ -0.05 -0.05 -0.07 -0.04 7.32 7.11 2ox3A1 VAL 313 H -0.08 0.55 0.32 -0.55 8.24 8.48 2ox3A1 VAL 313 HA -0.17 0.41 1.24 -0.75 4.13 4.86 2ox3A1 VAL 313 HB -0.91 -0.05 -0.06 -0.04 2.12 1.06 2ox3A1 VAL 313 HG13 0.12 0.00 -0.03 -0.04 0.97 1.02 2ox3A1 VAL 313 HG23 0.19 0.02 -0.04 -0.04 0.95 1.08 2ox3A1 GLY 314 H -0.18 0.47 0.34 -0.55 8.43 8.51 2ox3A1 GLY 314 HA2 -0.20 0.01 0.33 -0.51 4.01 3.64 2ox3A1 GLY 314 HA3 -0.12 0.19 1.02 -0.51 4.01 4.59 2ox3A1 ASN 315 H -0.26 0.39 0.25 -0.55 8.53 8.37 2ox3A1 ASN 315 HA -0.53 0.11 0.44 -0.75 4.76 4.04 2ox3A1 ASN 315 HB2 -0.21 -0.04 0.09 -0.04 2.88 2.67 2ox3A1 ASN 315 HB3 -0.02 -0.07 -0.02 -0.04 2.79 2.64 2ox3A1 ASN 315 HD21 0.16 0.29 -0.34 -0.04 7.03 7.10 2ox3A1 ASN 315 HD22 0.16 0.01 -0.17 -0.04 7.74 7.70 2ox3A1 ASP 316 H -0.16 0.26 0.23 -0.55 8.40 8.18 2ox3A1 ASP 316 HA -0.13 0.04 0.34 -0.75 4.63 4.13 2ox3A1 ASP 316 HB2 -0.03 -0.06 -0.02 -0.04 2.71 2.56 2ox3A1 ASP 316 HB3 -0.07 0.14 0.05 -0.04 2.70 2.77 2ox3A1 HIS 317 H 0.18 0.15 -0.15 -0.55 8.41 8.04 2ox3A1 HIS 317 HA -0.02 0.05 0.25 -0.75 4.63 4.17 2ox3A1 HIS 317 HB2 0.04 -0.00 0.09 -0.04 3.26 3.36 2ox3A1 HIS 317 HB3 0.01 0.05 0.09 -0.04 3.20 3.30 2ox3A1 HIS 317 HD2 -0.02 0.03 0.04 -0.04 6.97 6.97 2ox3A1 HIS 317 HE1 0.11 0.22 0.08 -0.04 7.75 8.11 2ox3A1 VAL 319 HA -0.19 -0.11 0.15 -0.75 4.13 3.23 2ox3A1 VAL 319 HB -0.11 0.09 -0.07 -0.04 2.12 1.99 2ox3A1 VAL 319 HG13 -0.07 -0.04 -0.25 -0.04 0.97 0.57 2ox3A1 VAL 319 HG23 -0.13 0.11 -0.23 -0.04 0.95 0.66 2ox3A1 GLU 320 H -0.10 0.71 -0.64 -0.55 8.60 8.03 2ox3A1 GLU 320 HA -0.09 -0.03 0.33 -0.75 4.29 3.75 2ox3A1 GLU 320 HB2 -0.02 0.12 0.08 -0.04 2.09 2.23 2ox3A1 GLU 320 HB3 -0.04 -0.07 -0.03 -0.04 1.99 1.80 2ox3A1 GLU 320 HG2 -0.04 -0.09 -0.04 -0.04 2.34 2.14 2ox3A1 GLU 320 HG3 -0.05 0.19 0.01 -0.04 2.34 2.45 2ox3A1 ASP 321 H -0.07 0.56 0.23 -0.55 8.40 8.57 2ox3A1 ASP 321 HA -0.10 0.02 0.38 -0.75 4.63 4.18 2ox3A1 ASP 321 HB2 0.06 -0.01 0.00 -0.04 2.71 2.72 2ox3A1 ASP 321 HB3 0.12 -0.04 -0.07 -0.04 2.70 2.68 2ox3A1 VAL 322 H -0.37 0.18 -0.30 -0.55 8.24 7.20 2ox3A1 VAL 322 HA -0.42 -0.00 0.31 -0.75 4.13 3.26 2ox3A1 VAL 322 HB -0.48 0.24 0.07 -0.04 2.12 1.91 2ox3A1 VAL 322 HG13 -0.96 -0.02 -0.21 -0.04 0.97 -0.27 2ox3A1 VAL 322 HG23 -1.06 -0.01 -0.06 -0.04 0.95 -0.21 2ox3A1 GLU 323 H -0.22 0.64 -0.17 -0.55 8.60 8.30 2ox3A1 GLU 323 HA -0.19 0.08 0.40 -0.75 4.29 3.83 2ox3A1 GLU 323 HB2 -0.12 0.11 0.13 -0.04 2.09 2.17 2ox3A1 GLU 323 HB3 -0.09 -0.04 -0.03 -0.04 1.99 1.79 2ox3A1 GLU 323 HG2 -0.12 0.04 -0.25 -0.04 2.34 1.97 2ox3A1 GLU 323 HG3 -0.16 0.07 -0.12 -0.04 2.34 2.08 2ox3A1 ARG 324 H -0.13 0.60 -0.22 -0.55 8.46 8.16 2ox3A1 ARG 324 HA -0.12 -0.00 0.44 -0.75 4.34 3.90 2ox3A1 ARG 324 HB2 -0.16 0.14 0.13 -0.04 1.90 1.98 2ox3A1 ARG 324 HB3 -0.35 0.05 0.09 -0.04 1.80 1.55 2ox3A1 ARG 324 HG2 -0.21 -0.06 0.00 -0.04 1.67 1.36 2ox3A1 ARG 324 HG3 -0.14 -0.02 0.02 -0.04 1.67 1.49 2ox3A1 ARG 324 HD2 -0.15 -0.03 -0.03 -0.04 3.22 2.97 2ox3A1 ARG 324 HD3 -0.16 0.01 -0.03 -0.04 3.22 3.00 2ox3A1 PHE 325 H 0.03 0.62 -0.02 -0.55 8.34 8.42 2ox3A1 PHE 325 HA 0.15 -0.00 0.37 -0.75 4.62 4.38 2ox3A1 PHE 325 HB2 -0.06 0.07 0.12 -0.04 3.15 3.24 2ox3A1 PHE 325 HB3 0.04 0.04 0.06 -0.04 3.06 3.16 2ox3A1 PHE 325 HD2 0.01 0.08 -0.11 -0.04 7.28 7.22 2ox3A1 PHE 325 HE2 -0.34 -0.01 -0.09 -0.04 7.38 6.89 2ox3A1 PHE 325 HZ -0.17 -0.00 -0.07 -0.04 7.32 7.03 2ox3A1 ILE 326 H 0.02 0.54 -0.30 -0.55 8.25 7.96 2ox3A1 ILE 326 HA 0.07 -0.07 0.32 -0.75 4.18 3.74 2ox3A1 ILE 326 HB -0.08 0.26 0.13 -0.04 1.89 2.15 2ox3A1 ILE 326 HG12 -0.08 -0.21 -0.07 -0.04 1.49 1.09 2ox3A1 ILE 326 HG13 -0.18 0.30 -0.02 -0.04 1.21 1.27 2ox3A1 ILE 326 HG23 -0.01 -0.04 -0.14 -0.04 0.93 0.69 2ox3A1 ILE 326 HD13 -0.33 -0.02 -0.05 -0.04 0.88 0.45 2ox3A1 ARG 327 H -0.03 0.41 -0.30 -0.55 8.46 7.99 2ox3A1 ARG 327 HA -0.03 -0.04 0.37 -0.75 4.34 3.88 2ox3A1 ARG 327 HB2 -0.06 0.20 0.26 -0.04 1.90 2.25 2ox3A1 ARG 327 HB3 -0.08 -0.01 0.12 -0.04 1.80 1.80 2ox3A1 ARG 327 HG2 -0.06 -0.05 -0.01 -0.04 1.67 1.51 2ox3A1 ARG 327 HG3 -0.04 -0.05 0.05 -0.04 1.67 1.58 2ox3A1 ARG 327 HD2 -0.04 -0.07 -0.01 -0.04 3.22 3.06 2ox3A1 ARG 327 HD3 -0.05 0.07 0.00 -0.04 3.22 3.20 2ox3A1 GLU 328 H -0.07 0.62 0.04 -0.55 8.60 8.64 2ox3A1 GLU 328 HA -0.21 -0.01 0.40 -0.75 4.29 3.72 2ox3A1 GLU 328 HB2 -0.13 0.06 0.09 -0.04 2.09 2.07 2ox3A1 GLU 328 HB3 -0.54 -0.05 0.02 -0.04 1.99 1.38 2ox3A1 GLU 328 HG2 -0.21 -0.04 0.04 -0.04 2.34 2.08 2ox3A1 GLU 328 HG3 -0.16 -0.02 0.02 -0.04 2.34 2.13 2ox3A1 PHE 329 H 0.15 0.41 -0.64 -0.55 8.34 7.71 2ox3A1 PHE 329 HA 0.02 0.16 0.87 -0.75 4.62 4.92 2ox3A1 PHE 329 HB2 0.07 -0.01 0.05 -0.04 3.15 3.22 2ox3A1 PHE 329 HB3 0.04 -0.07 -0.04 -0.04 3.06 2.96 2ox3A1 PHE 329 HD2 0.11 0.07 -0.03 -0.04 7.28 7.38 2ox3A1 PHE 329 HE2 0.11 -0.04 -0.05 -0.04 7.38 7.35 2ox3A1 PHE 329 HZ 0.09 -0.05 -0.05 -0.04 7.32 7.27 2ox3A1 PRO 330 HA 0.06 0.03 0.58 -0.51 4.44 4.60 2ox3A1 PRO 330 HB2 0.02 -0.11 0.08 -0.04 2.28 2.22 2ox3A1 PRO 330 HB3 0.01 0.09 0.14 -0.04 2.02 2.22 2ox3A1 PRO 330 HG2 0.02 -0.03 0.00 -0.04 2.03 1.98 2ox3A1 PRO 330 HG3 -0.01 -0.01 0.05 -0.04 2.03 2.02 2ox3A1 PRO 330 HD2 -0.03 0.08 0.03 -0.04 3.68 3.73 2ox3A1 PRO 330 HD3 -0.03 0.47 -0.13 -0.04 3.65 3.91 2ox3A1 ASP 331 H 0.04 0.04 0.14 -0.55 8.40 8.07 2ox3A1 ASP 331 HA 0.04 -0.11 0.44 -0.75 4.63 4.25 2ox3A1 ASP 331 HB2 0.03 -0.07 -0.06 -0.04 2.71 2.56 2ox3A1 ASP 331 HB3 0.04 0.21 0.08 -0.04 2.70 3.00 2ox3A1 ALA 332 H 0.05 0.05 0.08 -0.55 8.40 8.03 2ox3A1 ALA 332 HA 0.04 -0.97 0.36 -0.75 4.34 3.01 2ox3A1 ALA 332 HB3 0.04 0.10 0.06 -0.04 1.41 1.56