============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 15 1.040 12.331 50.128 20.413 -99.200 -91.000 TRP6 15 1.020 12.477 48.167 21.699 -99.200 -91.000 TYR 18 0.840 9.897 41.762 16.364 -99.200 -91.000 HIS 19 0.900 8.842 46.271 9.002 -99.200 -91.000 PHE 20 1.000 7.770 38.750 11.067 -99.200 -91.000 TRP 32 1.040 7.219 32.046 7.318 -99.200 -91.000 TRP6 32 1.020 5.688 33.856 7.322 -99.200 -91.000 PHE 35 1.000 11.179 43.388 5.636 -99.200 -91.000 PHE 39 1.000 20.779 50.300 13.705 -99.200 -91.000 HIS 63 0.900 20.568 30.095 -2.603 -99.200 -91.000 PHE 66 1.000 15.615 37.907 -6.144 -99.200 -91.000 PHE 67 1.000 23.569 39.043 -4.312 -99.200 -91.000 TYR 71 0.840 25.636 44.029 -7.569 -99.200 -91.000 TYR 106 0.840 22.115 22.560 10.968 -99.200 -91.000 TYR 120 0.840 27.102 40.393 22.115 -99.200 -91.000 TRP 121 1.040 20.809 40.287 28.414 -99.200 -91.000 TRP6 121 1.020 20.138 39.667 30.607 -99.200 -91.000 HIS 123 0.900 20.595 45.526 21.822 -99.200 -91.000 TRP 127 1.040 16.966 47.338 23.755 -99.200 -91.000 TRP6 127 1.020 16.478 45.455 22.406 -99.200 -91.000 HIS 131 0.900 13.565 50.856 23.835 -99.200 -91.000 PHE 134 1.000 6.965 48.767 24.686 -99.200 -91.000 PHE 135 1.000 12.508 44.769 26.123 -99.200 -91.000 PHE 157 1.000 21.917 34.295 29.372 -99.200 -91.000 PHE 165 1.000 22.254 53.560 28.771 -99.200 -91.000 HIS 167 0.900 24.265 55.675 35.194 -99.200 -91.000 HIS 173 0.900 20.327 61.828 30.006 -99.200 -91.000 TRP 175 1.040 26.706 60.811 24.380 -99.200 -91.000 TRP6 175 1.020 26.170 63.091 24.371 -99.200 -91.000 PHE 179 1.000 22.423 55.400 15.646 -99.200 -91.000 PHE 183 1.000 21.056 68.541 14.907 -99.200 -91.000 HIS 200 0.900 26.021 51.972 32.133 -99.200 -91.000 PHE 220 1.000 27.437 54.350 12.179 -99.200 -91.000 TYR 227 0.840 34.160 56.486 17.750 -99.200 -91.000 PHE 237 1.000 36.417 50.725 33.499 -99.200 -91.000 PHE 240 1.000 34.116 38.950 23.912 -99.200 -91.000 TRP 241 1.040 32.561 44.040 20.864 -99.200 -91.000 TRP6 241 1.020 31.852 42.028 19.831 -99.200 -91.000 TYR 247 0.840 28.900 54.530 7.315 -99.200 -91.000 TYR 254 0.840 45.884 57.797 14.724 -99.200 -91.000 HIS 258 0.900 47.511 55.549 18.047 -99.200 -91.000 HIS 261 0.900 39.932 48.579 26.496 -99.200 -91.000 PHE 270 1.000 23.875 46.874 3.475 -99.200 -91.000 PHE 275 1.000 31.684 43.174 6.411 -99.200 -91.000 PHE 278 1.000 35.460 49.935 7.298 -99.200 -91.000 PHE 279 1.000 37.470 42.218 7.159 -99.200 -91.000 TRP 293 1.040 20.378 45.596 8.010 -99.200 -91.000 TRP6 293 1.020 21.589 47.620 8.127 -99.200 -91.000 TRP 297 1.040 25.076 31.637 -1.354 -99.200 -91.000 TRP6 297 1.020 25.290 29.354 -0.706 -99.200 -91.000 PHE 305 1.000 37.601 40.187 2.309 -99.200 -91.000 HIS 309 0.900 42.082 40.378 5.020 -99.200 -91.000 HIS 316 0.900 23.247 44.293 14.608 -99.200 -91.000 PHE 318 1.000 19.101 46.122 16.551 -99.200 -91.000 TYR 319 0.840 16.442 43.951 13.312 -99.200 -91.000 HIS 321 0.900 11.588 34.335 20.181 -99.200 -91.000 PHE 330 1.000 27.173 34.094 9.599 -99.200 -91.000 TRP 349 1.040 3.882 41.574 21.190 -99.200 -91.000 TRP6 349 1.020 4.272 43.484 22.562 -99.200 -91.000 PHE 354 1.000 8.854 35.386 15.703 -99.200 -91.000 HIS 356 0.900 9.040 24.998 16.966 -99.200 -91.000 TYR 360 0.840 19.096 32.062 24.240 -99.200 -91.000 TRP 373 1.040 15.632 31.176 7.832 -99.200 -91.000 TRP6 373 1.020 17.954 31.112 7.337 -99.200 -91.000 HIS 385 0.900 0.405 41.068 19.739 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oo6A1 LEU 1 HA -0.02 -0.05 0.16 -0.75 4.35 3.69 2oo6A1 LEU 1 HB2 -0.02 0.00 0.03 -0.04 1.64 1.61 2oo6A1 LEU 1 HB3 -0.02 -0.14 0.16 -0.04 1.64 1.60 2oo6A1 LEU 1 HG -0.02 0.04 0.05 -0.04 1.64 1.67 2oo6A1 LEU 1 HD13 -0.02 0.01 0.02 -0.04 0.93 0.89 2oo6A1 LEU 1 HD23 -0.02 0.01 0.03 -0.04 0.89 0.87 2oo6A1 LYS 2 H -0.02 0.21 0.10 -0.55 8.42 8.16 2oo6A1 LYS 2 HA -0.02 0.18 0.45 -0.75 4.32 4.17 2oo6A1 LYS 2 HB2 -0.02 -0.08 0.06 -0.04 1.87 1.79 2oo6A1 LYS 2 HB3 -0.02 0.08 -0.06 -0.04 1.79 1.75 2oo6A1 LYS 2 HG2 -0.01 0.16 -0.16 -0.04 1.46 1.40 2oo6A1 LYS 2 HG3 -0.01 -0.07 -0.02 -0.04 1.46 1.32 2oo6A1 LYS 2 HD2 -0.01 -0.06 0.03 -0.04 1.69 1.61 2oo6A1 LYS 2 HD3 -0.01 0.03 0.06 -0.04 1.68 1.72 2oo6A1 LYS 2 HE2 -0.01 0.10 0.05 -0.04 2.99 3.10 2oo6A1 LYS 2 HE3 -0.01 -0.06 0.02 -0.04 2.99 2.90 2oo6A1 VAL 3 H -0.04 0.76 0.26 -0.55 8.24 8.68 2oo6A1 VAL 3 HA -0.06 0.06 0.76 -0.75 4.13 4.14 2oo6A1 VAL 3 HB -0.06 0.14 0.07 -0.04 2.12 2.23 2oo6A1 VAL 3 HG13 -0.08 -0.01 -0.25 -0.04 0.97 0.58 2oo6A1 VAL 3 HG23 -0.08 -0.00 -0.11 -0.04 0.95 0.71 2oo6A1 VAL 4 H -0.05 0.69 0.41 -0.55 8.24 8.74 2oo6A1 VAL 4 HA -0.03 0.13 0.80 -0.75 4.13 4.28 2oo6A1 VAL 4 HB -0.04 0.04 -0.12 -0.04 2.12 1.96 2oo6A1 VAL 4 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.77 2oo6A1 VAL 4 HG23 -0.03 0.01 -0.19 -0.04 0.95 0.70 2oo6A1 SER 5 H -0.06 0.31 0.27 -0.55 8.46 8.43 2oo6A1 SER 5 HA -0.04 0.18 0.60 -0.75 4.49 4.47 2oo6A1 SER 5 HB2 -0.04 0.00 -0.00 -0.04 3.95 3.87 2oo6A1 SER 5 HB3 -0.04 0.13 -0.21 -0.04 3.93 3.77 2oo6A1 VAL 6 H -0.04 0.31 0.10 -0.55 8.24 8.05 2oo6A1 VAL 6 HA -0.08 0.20 0.87 -0.75 4.13 4.37 2oo6A1 VAL 6 HB -0.04 -0.00 0.13 -0.04 2.12 2.16 2oo6A1 VAL 6 HG13 -0.05 -0.02 -0.11 -0.04 0.97 0.75 2oo6A1 VAL 6 HG23 -0.10 -0.00 -0.17 -0.04 0.95 0.63 2oo6A1 ASP 7 H -0.05 0.79 0.33 -0.55 8.40 8.92 2oo6A1 ASP 7 HA 0.02 0.18 0.96 -0.75 4.63 5.04 2oo6A1 ASP 7 HB2 -0.03 -0.01 0.02 -0.04 2.71 2.65 2oo6A1 ASP 7 HB3 0.04 0.06 0.04 -0.04 2.70 2.79 2oo6A1 THR 8 H 0.10 0.21 0.21 -0.55 8.28 8.25 2oo6A1 THR 8 HA 0.28 0.39 1.16 -0.75 4.39 5.47 2oo6A1 THR 8 HB 0.41 -0.01 0.08 -0.04 4.32 4.76 2oo6A1 THR 8 HG23 0.15 -0.01 -0.15 -0.04 1.22 1.17 2oo6A1 LEU 9 H 0.36 0.51 0.35 -0.55 8.37 9.05 2oo6A1 LEU 9 HA 0.16 0.22 0.83 -0.75 4.35 4.81 2oo6A1 LEU 9 HB2 0.43 -0.06 -0.05 -0.04 1.64 1.91 2oo6A1 LEU 9 HB3 0.21 0.04 -0.00 -0.04 1.64 1.85 2oo6A1 LEU 9 HG 0.16 0.09 -0.09 -0.04 1.64 1.76 2oo6A1 LEU 9 HD13 0.24 -0.03 -0.52 -0.04 0.93 0.58 2oo6A1 LEU 9 HD23 0.27 0.00 -0.12 -0.04 0.89 1.00 2oo6A1 CYS 10 H 0.08 0.35 0.19 -0.55 8.50 8.57 2oo6A1 CYS 10 HA -0.18 0.00 0.98 -0.75 4.58 4.62 2oo6A1 CYS 10 HB2 -0.15 0.00 -0.24 -0.04 2.97 2.54 2oo6A1 CYS 10 HB3 -0.08 0.00 0.01 -0.04 2.97 2.86 2oo6A1 CYS 11 H -0.14 0.48 0.35 -0.55 8.50 8.65 2oo6A1 CYS 11 HA -0.04 0.27 0.74 -0.75 4.58 4.80 2oo6A1 CYS 11 HB2 0.06 0.34 0.27 -0.04 2.97 3.61 2oo6A1 CYS 11 HB3 0.08 -0.06 -0.11 -0.04 2.97 2.84 2oo6A1 ASP 12 H -0.04 0.88 0.04 -0.55 8.40 8.74 2oo6A1 ASP 12 HA -0.15 -0.10 0.53 -0.75 4.63 4.15 2oo6A1 ASP 12 HB2 -0.10 0.42 0.01 -0.04 2.71 3.00 2oo6A1 ASP 12 HB3 -0.11 0.02 0.07 -0.04 2.70 2.64 2oo6A1 ALA 13 H -0.35 0.50 0.37 -0.55 8.40 8.37 2oo6A1 ALA 13 HA -0.43 0.15 0.53 -0.75 4.34 3.84 2oo6A1 ALA 13 HB3 -1.35 -0.02 -0.05 -0.04 1.41 -0.06 2oo6A1 GLY 14 H -0.09 0.16 -0.02 -0.55 8.43 7.94 2oo6A1 GLY 14 HA2 -0.61 0.08 0.33 -0.51 4.01 3.30 2oo6A1 GLY 14 HA3 -1.40 0.11 0.55 -0.51 4.01 2.76 2oo6A1 TRP 15 H -0.79 0.27 0.17 -0.55 7.97 7.08 2oo6A1 TRP 15 HA -0.12 0.25 0.83 -0.75 4.62 4.83 2oo6A1 TRP 15 HB2 -0.04 0.07 0.16 -0.04 3.23 3.38 2oo6A1 TRP 15 HB3 -0.20 0.02 0.05 -0.04 3.23 3.06 2oo6A1 TRP 15 HD1 -0.05 -0.02 -0.07 -0.04 7.22 7.04 2oo6A1 TRP 15 HE1 -0.09 -0.06 -0.08 -0.04 10.20 9.93 2oo6A1 TRP 15 HE3 -0.95 -0.06 0.08 -0.04 7.59 6.62 2oo6A1 TRP 15 HZ2 -1.14 -0.03 -0.05 -0.04 7.44 6.18 2oo6A1 TRP 15 HZ3 -0.69 -0.00 -0.03 -0.04 7.13 6.37 2oo6A1 TRP 15 HH2 -1.75 0.00 -0.05 -0.04 7.19 5.35 2oo6A1 ARG 16 H -0.74 0.29 -0.31 -0.55 8.46 7.14 2oo6A1 ARG 16 HA -0.23 0.12 0.57 -0.75 4.34 4.04 2oo6A1 ARG 16 HB2 -0.33 -0.06 0.13 -0.04 1.90 1.59 2oo6A1 ARG 16 HB3 -0.50 0.03 -0.09 -0.04 1.80 1.20 2oo6A1 ARG 16 HG2 -1.95 -0.00 -0.10 -0.04 1.67 -0.43 2oo6A1 ARG 16 HG3 -0.86 0.02 -0.32 -0.04 1.67 0.47 2oo6A1 ARG 16 HD2 -0.36 -0.08 -0.04 -0.04 3.22 2.70 2oo6A1 ARG 16 HD3 -0.65 0.02 -0.08 -0.04 3.22 2.47 2oo6A1 ASN 17 H -0.20 0.10 0.16 -0.55 8.53 8.05 2oo6A1 ASN 17 HA -0.35 0.15 1.06 -0.75 4.76 4.87 2oo6A1 ASN 17 HB2 -0.20 -0.12 0.05 -0.04 2.88 2.57 2oo6A1 ASN 17 HB3 -0.39 0.16 0.09 -0.04 2.79 2.60 2oo6A1 ASN 17 HD21 -0.07 0.67 0.06 -0.04 7.03 7.65 2oo6A1 ASN 17 HD22 -0.05 -0.10 -0.01 -0.04 7.74 7.53 2oo6A1 TYR 18 H -0.30 0.62 0.25 -0.55 8.29 8.32 2oo6A1 TYR 18 HA -0.43 0.08 0.93 -0.75 4.56 4.39 2oo6A1 TYR 18 HB2 -0.18 0.07 0.07 -0.04 3.06 2.98 2oo6A1 TYR 18 HB3 -0.66 0.00 0.03 -0.04 2.98 2.31 2oo6A1 TYR 18 HD2 -0.12 0.08 -0.03 -0.04 7.15 7.04 2oo6A1 TYR 18 HE2 -0.15 0.04 -0.06 -0.04 6.85 6.63 2oo6A1 HIS 19 H -0.59 0.35 0.36 -0.55 8.41 7.99 2oo6A1 HIS 19 HA -0.48 0.31 1.11 -0.75 4.63 4.81 2oo6A1 HIS 19 HB2 -1.74 0.01 -0.14 -0.04 3.26 1.36 2oo6A1 HIS 19 HB3 -1.66 0.04 -0.01 -0.04 3.20 1.53 2oo6A1 HIS 19 HD2 -0.12 0.05 -0.08 -0.04 6.97 6.77 2oo6A1 HIS 19 HE1 -0.13 -0.01 -0.06 -0.04 7.75 7.50 2oo6A1 PHE 20 H 0.05 0.64 0.38 -0.55 8.34 8.86 2oo6A1 PHE 20 HA 0.26 0.17 1.07 -0.75 4.62 5.37 2oo6A1 PHE 20 HB2 0.35 -0.09 -0.03 -0.04 3.15 3.34 2oo6A1 PHE 20 HB3 0.54 0.17 0.05 -0.04 3.06 3.77 2oo6A1 PHE 20 HD2 0.10 0.07 -0.18 -0.04 7.28 7.23 2oo6A1 PHE 20 HE2 0.10 -0.05 -0.15 -0.04 7.38 7.24 2oo6A1 PHE 20 HZ -0.06 -0.00 -0.09 -0.04 7.32 7.13 2oo6A1 VAL 21 H 0.56 0.30 0.19 -0.55 8.24 8.74 2oo6A1 VAL 21 HA 0.29 0.31 1.02 -0.75 4.13 4.99 2oo6A1 VAL 21 HB 0.24 -0.08 0.06 -0.04 2.12 2.30 2oo6A1 VAL 21 HG13 0.04 0.02 -0.15 -0.04 0.97 0.84 2oo6A1 VAL 21 HG23 0.12 -0.02 -0.23 -0.04 0.95 0.77 2oo6A1 LYS 22 H 0.02 0.82 0.31 -0.55 8.42 9.01 2oo6A1 LYS 22 HA -0.72 0.24 0.96 -0.75 4.32 4.04 2oo6A1 LYS 22 HB2 -0.79 -0.03 -0.12 -0.04 1.87 0.89 2oo6A1 LYS 22 HB3 -0.23 -0.04 0.03 -0.04 1.79 1.51 2oo6A1 LYS 22 HG2 -0.48 0.01 -0.38 -0.04 1.46 0.56 2oo6A1 LYS 22 HG3 -1.46 0.03 -0.08 -0.04 1.46 -0.08 2oo6A1 LYS 22 HD2 -0.22 -0.03 -0.11 -0.04 1.69 1.28 2oo6A1 LYS 22 HD3 -0.16 -0.02 -0.13 -0.04 1.68 1.33 2oo6A1 LYS 22 HE2 -0.21 0.02 -0.15 -0.04 2.99 2.62 2oo6A1 LYS 22 HE3 -0.19 0.01 -0.09 -0.04 2.99 2.68 2oo6A1 LEU 23 H -0.39 0.68 0.32 -0.55 8.37 8.43 2oo6A1 LEU 23 HA -0.14 0.30 1.02 -0.75 4.35 4.78 2oo6A1 LEU 23 HB2 -0.09 -0.08 -0.08 -0.04 1.64 1.34 2oo6A1 LEU 23 HB3 -0.12 -0.00 0.12 -0.04 1.64 1.61 2oo6A1 LEU 23 HG -0.11 0.15 0.03 -0.04 1.64 1.67 2oo6A1 LEU 23 HD13 -0.11 -0.02 -0.14 -0.04 0.93 0.62 2oo6A1 LEU 23 HD23 -0.09 -0.01 -0.33 -0.04 0.89 0.42 2oo6A1 THR 24 H -0.12 0.50 0.36 -0.55 8.28 8.47 2oo6A1 THR 24 HA -0.12 0.38 1.09 -0.75 4.39 4.99 2oo6A1 THR 24 HB -0.08 -0.09 0.07 -0.04 4.32 4.18 2oo6A1 THR 24 HG23 -0.06 0.07 -0.11 -0.04 1.22 1.07 2oo6A1 THR 25 H -0.06 0.56 0.28 -0.55 8.28 8.51 2oo6A1 THR 25 HA -0.05 0.20 1.05 -0.75 4.39 4.83 2oo6A1 THR 25 HB -0.04 0.07 0.04 -0.04 4.32 4.35 2oo6A1 THR 25 HG23 -0.06 0.05 -0.10 -0.04 1.22 1.08 2oo6A1 ASP 26 H -0.03 0.61 0.22 -0.55 8.40 8.65 2oo6A1 ASP 26 HA -0.02 0.08 0.40 -0.75 4.63 4.34 2oo6A1 ASP 26 HB2 -0.02 0.03 0.13 -0.04 2.71 2.81 2oo6A1 ASP 26 HB3 -0.02 0.01 0.12 -0.04 2.70 2.77 2oo6A1 GLU 27 H -0.03 0.02 -0.25 -0.55 8.60 7.80 2oo6A1 GLU 27 HA -0.01 0.18 0.63 -0.75 4.29 4.34 2oo6A1 GLU 27 HB2 -0.02 -0.09 0.03 -0.04 2.09 1.96 2oo6A1 GLU 27 HB3 -0.02 0.06 0.09 -0.04 1.99 2.08 2oo6A1 GLU 27 HG2 -0.01 0.05 0.04 -0.04 2.34 2.38 2oo6A1 GLU 27 HG3 -0.02 -0.04 0.01 -0.04 2.34 2.25 2oo6A1 GLY 28 H -0.03 0.52 -0.38 -0.55 8.43 8.00 2oo6A1 GLY 28 HA2 -0.02 0.04 0.25 -0.51 4.01 3.76 2oo6A1 GLY 28 HA3 -0.01 0.12 0.53 -0.51 4.01 4.13 2oo6A1 ILE 29 H -0.03 -0.05 -0.27 -0.55 8.25 7.35 2oo6A1 ILE 29 HA -0.01 0.14 0.59 -0.75 4.18 4.15 2oo6A1 ILE 29 HB -0.04 -0.12 0.04 -0.04 1.89 1.73 2oo6A1 ILE 29 HG12 -0.02 -0.02 -0.14 -0.04 1.49 1.27 2oo6A1 ILE 29 HG13 -0.03 0.03 -0.06 -0.04 1.21 1.11 2oo6A1 ILE 29 HG23 -0.03 0.02 -0.17 -0.04 0.93 0.71 2oo6A1 ILE 29 HD13 -0.01 0.03 -0.11 -0.04 0.88 0.75 2oo6A1 VAL 30 H -0.01 0.22 0.18 -0.55 8.24 8.08 2oo6A1 VAL 30 HA -0.17 0.35 1.12 -0.75 4.13 4.68 2oo6A1 VAL 30 HB 0.01 -0.03 0.11 -0.04 2.12 2.17 2oo6A1 VAL 30 HG13 -0.70 -0.02 -0.18 -0.04 0.97 0.03 2oo6A1 VAL 30 HG23 -0.07 0.04 -0.16 -0.04 0.95 0.71 2oo6A1 GLY 31 H -0.19 0.72 0.35 -0.55 8.43 8.76 2oo6A1 GLY 31 HA2 0.05 0.10 0.88 -0.51 4.01 4.53 2oo6A1 GLY 31 HA3 -0.03 0.11 0.39 -0.51 4.01 3.97 2oo6A1 TRP 32 H 0.42 0.16 0.29 -0.55 7.97 8.30 2oo6A1 TRP 32 HA 0.19 0.42 1.20 -0.75 4.62 5.67 2oo6A1 TRP 32 HB2 0.26 -0.04 0.17 -0.04 3.23 3.58 2oo6A1 TRP 32 HB3 0.24 0.00 0.05 -0.04 3.23 3.49 2oo6A1 TRP 32 HD1 0.10 0.05 -0.02 -0.04 7.22 7.31 2oo6A1 TRP 32 HE1 0.03 0.04 -0.04 -0.04 10.20 10.19 2oo6A1 TRP 32 HE3 0.16 0.12 -0.01 -0.04 7.59 7.82 2oo6A1 TRP 32 HZ2 -0.02 -0.00 -0.05 -0.04 7.44 7.32 2oo6A1 TRP 32 HZ3 0.01 -0.06 -0.21 -0.04 7.13 6.82 2oo6A1 TRP 32 HH2 -0.05 -0.04 -0.14 -0.04 7.19 6.93 2oo6A1 SER 33 H 0.52 0.51 0.42 -0.55 8.46 9.36 2oo6A1 SER 33 HA 0.34 0.15 0.46 -0.75 4.49 4.69 2oo6A1 SER 33 HB2 0.23 -0.03 0.23 -0.04 3.95 4.34 2oo6A1 SER 33 HB3 0.36 -0.01 -0.14 -0.04 3.93 4.09 2oo6A1 GLU 34 H 0.15 0.24 0.21 -0.55 8.60 8.66 2oo6A1 GLU 34 HA 0.06 0.36 1.11 -0.75 4.29 5.07 2oo6A1 GLU 34 HB2 0.17 -0.03 -0.05 -0.04 2.09 2.14 2oo6A1 GLU 34 HB3 -0.00 -0.11 0.07 -0.04 1.99 1.90 2oo6A1 GLU 34 HG2 -0.34 0.08 0.10 -0.04 2.34 2.14 2oo6A1 GLU 34 HG3 -0.68 0.25 0.20 -0.04 2.34 2.07 2oo6A1 PHE 35 H -0.32 0.66 0.22 -0.55 8.34 8.35 2oo6A1 PHE 35 HA 0.01 0.13 0.53 -0.75 4.62 4.54 2oo6A1 PHE 35 HB2 0.02 0.02 0.07 -0.04 3.15 3.22 2oo6A1 PHE 35 HB3 0.06 0.09 -0.16 -0.04 3.06 3.01 2oo6A1 PHE 35 HD2 -0.03 0.00 -0.37 -0.04 7.28 6.84 2oo6A1 PHE 35 HE2 -0.04 0.02 -0.39 -0.04 7.38 6.92 2oo6A1 PHE 35 HZ 0.09 0.02 -0.13 -0.04 7.32 7.26 2oo6A1 ASP 36 H 0.20 0.35 0.12 -0.55 8.40 8.52 2oo6A1 ASP 36 HA -0.33 0.16 0.98 -0.75 4.63 4.68 2oo6A1 ASP 36 HB2 -1.45 0.05 -0.17 -0.04 2.71 1.10 2oo6A1 ASP 36 HB3 -0.14 0.04 -0.03 -0.04 2.70 2.53 2oo6A1 GLU 37 H -0.21 0.16 0.14 -0.55 8.60 8.14 2oo6A1 GLU 37 HA -0.00 0.39 0.87 -0.75 4.29 4.79 2oo6A1 GLU 37 HB2 -0.14 0.04 0.01 -0.04 2.09 1.96 2oo6A1 GLU 37 HB3 -0.04 0.02 -0.08 -0.04 1.99 1.85 2oo6A1 GLU 37 HG2 -0.08 0.13 0.04 -0.04 2.34 2.38 2oo6A1 GLU 37 HG3 -0.64 -0.02 -0.15 -0.04 2.34 1.49 2oo6A1 GLY 38 H 0.03 0.04 0.09 -0.55 8.43 8.04 2oo6A1 GLY 38 HA2 0.10 0.23 0.23 -0.51 4.01 4.05 2oo6A1 GLY 38 HA3 0.10 0.06 0.29 -0.51 4.01 3.96 2oo6A1 PHE 39 H 0.44 0.06 -0.31 -0.55 8.34 7.98 2oo6A1 PHE 39 HA 0.23 0.13 0.53 -0.75 4.62 4.75 2oo6A1 PHE 39 HB2 0.64 -0.05 0.01 -0.04 3.15 3.71 2oo6A1 PHE 39 HB3 0.69 0.01 0.07 -0.04 3.06 3.79 2oo6A1 PHE 39 HD2 0.33 -0.00 -0.03 -0.04 7.28 7.54 2oo6A1 PHE 39 HE2 0.01 0.01 -0.09 -0.04 7.38 7.27 2oo6A1 PHE 39 HZ 0.29 -0.04 -0.09 -0.04 7.32 7.44 2oo6A1 GLY 40 H 0.09 0.49 -0.07 -0.55 8.43 8.40 2oo6A1 GLY 40 HA2 -0.02 0.05 0.27 -0.51 4.01 3.80 2oo6A1 GLY 40 HA3 -0.10 0.06 0.35 -0.51 4.01 3.81 2oo6A1 SER 41 H 0.09 0.36 -0.33 -0.55 8.46 8.03 2oo6A1 SER 41 HA -0.03 0.26 0.83 -0.75 4.49 4.79 2oo6A1 SER 41 HB2 0.08 -0.10 -0.03 -0.04 3.95 3.86 2oo6A1 SER 41 HB3 -0.10 -0.07 0.06 -0.04 3.93 3.77 2oo6A1 PRO 42 HA -0.01 -0.04 0.50 -0.51 4.44 4.38 2oo6A1 PRO 42 HB2 -0.01 0.04 -0.03 -0.04 2.28 2.24 2oo6A1 PRO 42 HB3 0.00 0.05 0.08 -0.04 2.02 2.11 2oo6A1 PRO 42 HG2 -0.02 0.04 0.05 -0.04 2.03 2.06 2oo6A1 PRO 42 HG3 -0.00 0.08 0.01 -0.04 2.03 2.08 2oo6A1 PRO 42 HD2 -0.01 0.31 -0.03 -0.04 3.68 3.90 2oo6A1 PRO 42 HD3 0.01 0.05 -0.18 -0.04 3.65 3.49 2oo6A1 GLY 43 H -0.01 0.07 0.19 -0.55 8.43 8.13 2oo6A1 GLY 43 HA2 -0.02 0.01 0.33 -0.51 4.01 3.82 2oo6A1 GLY 43 HA3 -0.04 0.29 0.66 -0.51 4.01 4.41 2oo6A1 VAL 44 H -0.04 0.34 -0.10 -0.55 8.24 7.89 2oo6A1 VAL 44 HA -0.10 0.16 0.31 -0.75 4.13 3.75 2oo6A1 VAL 44 HB 0.07 -0.07 0.00 -0.04 2.12 2.07 2oo6A1 VAL 44 HG13 -0.26 -0.01 -0.20 -0.04 0.97 0.46 2oo6A1 VAL 44 HG23 -0.08 0.13 0.05 -0.04 0.95 1.01 2oo6A1 THR 45 H 0.06 0.08 -0.15 -0.55 8.28 7.72 2oo6A1 THR 45 HA 0.03 0.07 0.32 -0.75 4.39 4.06 2oo6A1 THR 45 HB 0.09 -0.01 0.01 -0.04 4.32 4.37 2oo6A1 THR 45 HG23 0.15 0.03 -0.12 -0.04 1.22 1.23 2oo6A1 ALA 46 H 0.00 0.06 -0.31 -0.55 8.40 7.60 2oo6A1 ALA 46 HA 0.00 0.04 0.37 -0.75 4.34 4.00 2oo6A1 ALA 46 HB3 -0.01 0.06 0.07 -0.04 1.41 1.48 2oo6A1 VAL 47 H -0.05 0.42 -0.21 -0.55 8.24 7.85 2oo6A1 VAL 47 HA -0.04 0.06 0.42 -0.75 4.13 3.82 2oo6A1 VAL 47 HB -0.10 0.09 0.19 -0.04 2.12 2.26 2oo6A1 VAL 47 HG13 -0.06 0.02 -0.03 -0.04 0.97 0.85 2oo6A1 VAL 47 HG23 -0.08 0.05 -0.12 -0.04 0.95 0.77 2oo6A1 ILE 48 H -0.11 0.54 -0.05 -0.55 8.25 8.08 2oo6A1 ILE 48 HA -0.04 0.04 0.33 -0.75 4.18 3.75 2oo6A1 ILE 48 HB -0.14 0.07 0.12 -0.04 1.89 1.89 2oo6A1 ILE 48 HG12 -0.21 0.08 0.04 -0.04 1.49 1.36 2oo6A1 ILE 48 HG13 -0.27 0.02 0.09 -0.04 1.21 1.01 2oo6A1 ILE 48 HG23 -0.06 -0.01 -0.19 -0.04 0.93 0.62 2oo6A1 ILE 48 HD13 -1.01 -0.03 -0.16 -0.04 0.88 -0.36 2oo6A1 GLU 49 H -0.02 0.61 -0.15 -0.55 8.60 8.50 2oo6A1 GLU 49 HA 0.01 0.00 0.35 -0.75 4.29 3.90 2oo6A1 GLU 49 HB2 0.01 0.08 0.14 -0.04 2.09 2.27 2oo6A1 GLU 49 HB3 0.01 0.00 0.02 -0.04 1.99 1.98 2oo6A1 GLU 49 HG2 0.04 0.00 0.01 -0.04 2.34 2.35 2oo6A1 GLU 49 HG3 0.03 0.28 0.03 -0.04 2.34 2.63 2oo6A1 GLN 50 H -0.01 0.50 -0.15 -0.55 8.47 8.27 2oo6A1 GLN 50 HA 0.00 0.06 0.53 -0.75 4.36 4.20 2oo6A1 GLN 50 HB2 -0.01 0.05 0.15 -0.04 2.15 2.30 2oo6A1 GLN 50 HB3 -0.01 0.04 0.12 -0.04 2.02 2.13 2oo6A1 GLN 50 HG2 -0.02 -0.00 -0.00 -0.04 2.40 2.34 2oo6A1 GLN 50 HG3 -0.01 0.00 -0.07 -0.04 2.39 2.28 2oo6A1 GLN 50 HE21 -0.01 -0.00 0.02 -0.04 6.97 6.94 2oo6A1 GLN 50 HE22 -0.01 0.01 0.02 -0.04 7.69 7.67 2oo6A1 LEU 51 H 0.02 0.65 0.02 -0.55 8.37 8.52 2oo6A1 LEU 51 HA 0.08 0.05 0.43 -0.75 4.35 4.16 2oo6A1 LEU 51 HB2 0.10 0.05 0.06 -0.04 1.64 1.81 2oo6A1 LEU 51 HB3 0.33 -0.05 -0.05 -0.04 1.64 1.83 2oo6A1 LEU 51 HG -0.00 0.05 0.03 -0.04 1.64 1.68 2oo6A1 LEU 51 HD13 0.01 -0.02 -0.12 -0.04 0.93 0.75 2oo6A1 LEU 51 HD23 -0.05 0.00 -0.02 -0.04 0.89 0.78 2oo6A1 GLY 52 H 0.03 0.71 -0.17 -0.55 8.43 8.45 2oo6A1 GLY 52 HA2 -0.05 -0.05 0.36 -0.51 4.01 3.76 2oo6A1 GLY 52 HA3 -0.02 0.09 0.28 -0.51 4.01 3.85 2oo6A1 LYS 53 H 0.02 0.36 -0.40 -0.55 8.42 7.85 2oo6A1 LYS 53 HA 0.00 0.02 0.45 -0.75 4.32 4.03 2oo6A1 LYS 53 HB2 0.01 0.22 0.15 -0.04 1.87 2.21 2oo6A1 LYS 53 HB3 0.01 -0.04 0.04 -0.04 1.79 1.76 2oo6A1 LYS 53 HG2 0.00 -0.07 0.08 -0.04 1.46 1.44 2oo6A1 LYS 53 HG3 0.01 0.24 0.18 -0.04 1.46 1.85 2oo6A1 LYS 53 HD2 0.00 0.03 0.10 -0.04 1.69 1.78 2oo6A1 LYS 53 HD3 0.00 -0.04 0.04 -0.04 1.68 1.64 2oo6A1 LYS 53 HE2 0.00 -0.03 0.01 -0.04 2.99 2.93 2oo6A1 LYS 53 HE3 0.00 0.03 -0.03 -0.04 2.99 2.95 2oo6A1 ARG 54 H 0.07 0.35 -0.25 -0.55 8.46 8.07 2oo6A1 ARG 54 HA 0.04 0.08 0.46 -0.75 4.34 4.17 2oo6A1 ARG 54 HB2 0.16 0.14 0.11 -0.04 1.90 2.27 2oo6A1 ARG 54 HB3 0.09 -0.06 0.01 -0.04 1.80 1.80 2oo6A1 ARG 54 HG2 0.03 0.03 0.03 -0.04 1.67 1.72 2oo6A1 ARG 54 HG3 0.02 -0.04 0.01 -0.04 1.67 1.62 2oo6A1 ARG 54 HD2 0.02 0.04 -0.01 -0.04 3.22 3.23 2oo6A1 ARG 54 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 2oo6A1 LEU 55 H 0.05 0.20 -0.30 -0.55 8.37 7.78 2oo6A1 LEU 55 HA 0.06 0.03 0.39 -0.75 4.35 4.07 2oo6A1 LEU 55 HB2 -0.35 -0.02 0.01 -0.04 1.64 1.24 2oo6A1 LEU 55 HB3 -0.16 0.11 0.05 -0.04 1.64 1.60 2oo6A1 LEU 55 HG -0.17 -0.02 -0.20 -0.04 1.64 1.21 2oo6A1 LEU 55 HD13 -0.21 -0.01 -0.04 -0.04 0.93 0.63 2oo6A1 LEU 55 HD23 -0.54 -0.02 -0.09 -0.04 0.89 0.20 2oo6A1 VAL 56 H -0.02 0.30 -0.27 -0.55 8.24 7.71 2oo6A1 VAL 56 HA -0.04 -0.03 0.21 -0.75 4.13 3.52 2oo6A1 VAL 56 HB -0.01 0.10 0.09 -0.04 2.12 2.25 2oo6A1 VAL 56 HG13 -0.02 -0.00 -0.10 -0.04 0.97 0.80 2oo6A1 VAL 56 HG23 -0.03 0.01 -0.15 -0.04 0.95 0.74 2oo6A1 GLY 57 H -0.02 0.61 0.33 -0.55 8.43 8.80 2oo6A1 GLY 57 HA2 -0.01 -0.06 0.39 -0.51 4.01 3.82 2oo6A1 GLY 57 HA3 -0.00 0.15 0.72 -0.51 4.01 4.36 2oo6A1 ALA 58 H -0.01 0.62 -0.19 -0.55 8.40 8.28 2oo6A1 ALA 58 HA 0.01 0.09 0.69 -0.75 4.34 4.37 2oo6A1 ALA 58 HB3 0.03 0.03 0.07 -0.04 1.41 1.49 2oo6A1 SER 59 H 0.00 0.10 0.15 -0.55 8.46 8.17 2oo6A1 SER 59 HA -0.02 0.19 0.35 -0.75 4.49 4.26 2oo6A1 SER 59 HB2 -0.01 0.10 0.10 -0.04 3.95 4.10 2oo6A1 SER 59 HB3 -0.01 -0.06 0.14 -0.04 3.93 3.96 2oo6A1 VAL 60 H -0.03 0.81 0.32 -0.55 8.24 8.78 2oo6A1 VAL 60 HA -0.04 0.07 0.44 -0.75 4.13 3.85 2oo6A1 VAL 60 HB -0.04 0.06 0.01 -0.04 2.12 2.10 2oo6A1 VAL 60 HG13 -0.04 0.03 -0.08 -0.04 0.97 0.84 2oo6A1 VAL 60 HG23 -0.05 -0.01 -0.06 -0.04 0.95 0.79 2oo6A1 MET 61 H -0.03 0.08 -0.29 -0.55 8.47 7.68 2oo6A1 MET 61 HA -0.02 0.13 0.37 -0.75 4.52 4.24 2oo6A1 MET 61 HB2 -0.04 -0.02 -0.00 -0.04 2.15 2.05 2oo6A1 MET 61 HB3 -0.05 0.03 0.06 -0.04 2.03 2.04 2oo6A1 MET 61 HG2 -0.03 -0.05 0.04 -0.04 2.63 2.55 2oo6A1 MET 61 HG3 -0.03 0.05 0.01 -0.04 2.56 2.56 2oo6A1 MET 61 HE3 -0.03 0.02 -0.01 -0.04 2.10 2.04 2oo6A1 GLU 62 H -0.02 0.33 -0.53 -0.55 8.60 7.84 2oo6A1 GLU 62 HA -0.14 0.12 0.49 -0.75 4.29 4.01 2oo6A1 GLU 62 HB2 -0.00 0.13 0.15 -0.04 2.09 2.33 2oo6A1 GLU 62 HB3 -0.02 -0.10 0.15 -0.04 1.99 1.98 2oo6A1 GLU 62 HG2 -0.05 0.05 -0.05 -0.04 2.34 2.24 2oo6A1 GLU 62 HG3 -0.04 -0.07 -0.10 -0.04 2.34 2.09 2oo6A1 HIS 63 H -0.26 0.43 -0.07 -0.55 8.41 7.97 2oo6A1 HIS 63 HA 0.07 0.12 0.36 -0.75 4.63 4.42 2oo6A1 HIS 63 HB2 -0.00 -0.05 0.05 -0.04 3.26 3.23 2oo6A1 HIS 63 HB3 -0.07 0.14 -0.02 -0.04 3.20 3.21 2oo6A1 HIS 63 HD2 -0.41 -0.07 -0.17 -0.04 6.97 6.28 2oo6A1 HIS 63 HE1 -0.80 0.10 0.04 -0.04 7.75 7.05 2oo6A1 GLU 64 H -0.54 0.17 -0.06 -0.55 8.60 7.63 2oo6A1 GLU 64 HA 0.15 0.07 0.45 -0.75 4.29 4.21 2oo6A1 GLU 64 HB2 -0.28 0.03 0.07 -0.04 2.09 1.87 2oo6A1 GLU 64 HB3 -0.15 0.04 0.05 -0.04 1.99 1.89 2oo6A1 GLU 64 HG2 0.13 0.07 -0.02 -0.04 2.34 2.48 2oo6A1 GLU 64 HG3 0.13 -0.01 -0.07 -0.04 2.34 2.35 2oo6A1 ARG 65 H -0.03 0.07 -0.30 -0.55 8.46 7.65 2oo6A1 ARG 65 HA 0.05 0.07 0.52 -0.75 4.34 4.23 2oo6A1 ARG 65 HB2 0.01 -0.03 0.08 -0.04 1.90 1.91 2oo6A1 ARG 65 HB3 0.05 0.18 0.09 -0.04 1.80 2.07 2oo6A1 ARG 65 HG2 0.04 -0.03 -0.11 -0.04 1.67 1.53 2oo6A1 ARG 65 HG3 0.02 0.01 0.02 -0.04 1.67 1.67 2oo6A1 ARG 65 HD2 0.03 0.03 -0.03 -0.04 3.22 3.21 2oo6A1 ARG 65 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 2oo6A1 PHE 66 H 0.22 0.47 -0.12 -0.55 8.34 8.36 2oo6A1 PHE 66 HA 0.04 0.06 0.46 -0.75 4.62 4.42 2oo6A1 PHE 66 HB2 0.04 0.06 0.06 -0.04 3.15 3.27 2oo6A1 PHE 66 HB3 0.09 0.07 0.11 -0.04 3.06 3.29 2oo6A1 PHE 66 HD2 0.08 0.04 -0.13 -0.04 7.28 7.23 2oo6A1 PHE 66 HE2 0.04 0.07 -0.08 -0.04 7.38 7.37 2oo6A1 PHE 66 HZ 0.01 -0.04 -0.14 -0.04 7.32 7.11 2oo6A1 PHE 67 H 0.33 0.56 -0.13 -0.55 8.34 8.55 2oo6A1 PHE 67 HA -0.11 0.00 0.44 -0.75 4.62 4.19 2oo6A1 PHE 67 HB2 0.18 0.00 0.10 -0.04 3.15 3.39 2oo6A1 PHE 67 HB3 0.10 0.09 0.17 -0.04 3.06 3.38 2oo6A1 PHE 67 HD2 0.10 0.04 -0.11 -0.04 7.28 7.27 2oo6A1 PHE 67 HE2 0.00 0.03 -0.04 -0.04 7.38 7.33 2oo6A1 PHE 67 HZ -0.00 -0.03 -0.02 -0.04 7.32 7.23 2oo6A1 ALA 68 H 0.19 0.70 -0.08 -0.55 8.40 8.65 2oo6A1 ALA 68 HA 0.03 -0.02 0.41 -0.75 4.34 4.00 2oo6A1 ALA 68 HB3 0.08 0.02 0.11 -0.04 1.41 1.58 2oo6A1 GLU 69 H -0.07 0.61 -0.12 -0.55 8.60 8.47 2oo6A1 GLU 69 HA -0.07 0.02 0.50 -0.75 4.29 3.98 2oo6A1 GLU 69 HB2 -0.03 0.02 0.10 -0.04 2.09 2.13 2oo6A1 GLU 69 HB3 -0.14 0.06 0.13 -0.04 1.99 2.00 2oo6A1 GLU 69 HG2 -0.09 -0.03 -0.20 -0.04 2.34 1.97 2oo6A1 GLU 69 HG3 -0.04 -0.03 0.03 -0.04 2.34 2.25 2oo6A1 ALA 70 H -0.52 0.75 -0.04 -0.55 8.40 8.04 2oo6A1 ALA 70 HA -0.29 0.00 0.36 -0.75 4.34 3.66 2oo6A1 ALA 70 HB3 -0.70 -0.00 0.08 -0.04 1.41 0.75 2oo6A1 TYR 71 H -0.35 0.72 -0.15 -0.55 8.29 7.95 2oo6A1 TYR 71 HA -0.31 -0.05 0.26 -0.75 4.56 3.70 2oo6A1 TYR 71 HB2 -0.84 -0.02 0.08 -0.04 3.06 2.24 2oo6A1 TYR 71 HB3 -0.32 0.15 0.13 -0.04 2.98 2.90 2oo6A1 TYR 71 HD2 -0.14 0.00 -0.07 -0.04 7.15 6.90 2oo6A1 TYR 71 HE2 -0.01 -0.03 -0.03 -0.04 6.85 6.74 2oo6A1 CYS 72 H -0.08 0.53 -0.17 -0.55 8.50 8.23 2oo6A1 CYS 72 HA -0.17 -0.02 0.51 -0.75 4.58 4.15 2oo6A1 CYS 72 HB2 -0.08 0.17 0.21 -0.04 2.97 3.23 2oo6A1 CYS 72 HB3 -0.07 -0.06 0.01 -0.04 2.97 2.81 2oo6A1 LEU 73 H -0.15 0.59 -0.04 -0.55 8.37 8.23 2oo6A1 LEU 73 HA -0.10 0.02 0.36 -0.75 4.35 3.87 2oo6A1 LEU 73 HB2 -0.12 0.03 0.08 -0.04 1.64 1.59 2oo6A1 LEU 73 HB3 -0.08 -0.06 0.07 -0.04 1.64 1.53 2oo6A1 LEU 73 HG -0.09 0.21 0.08 -0.04 1.64 1.79 2oo6A1 LEU 73 HD13 -0.06 -0.03 -0.06 -0.04 0.93 0.75 2oo6A1 LEU 73 HD23 -0.05 -0.02 -0.00 -0.04 0.89 0.78 2oo6A1 THR 74 H -0.22 0.45 -0.42 -0.55 8.28 7.54 2oo6A1 THR 74 HA -0.14 0.18 0.90 -0.75 4.39 4.57 2oo6A1 THR 74 HB -0.15 -0.10 0.04 -0.04 4.32 4.08 2oo6A1 THR 74 HG23 -0.11 -0.01 -0.12 -0.04 1.22 0.94 2oo6A1 ARG 75 H -0.27 0.41 -0.23 -0.55 8.46 7.82 2oo6A1 ARG 75 HA -0.61 -0.02 0.33 -0.75 4.34 3.28 2oo6A1 ARG 75 HB2 -0.26 0.26 0.27 -0.04 1.90 2.12 2oo6A1 ARG 75 HB3 -0.20 -0.04 0.04 -0.04 1.80 1.56 2oo6A1 ARG 75 HG2 -0.41 -0.09 0.04 -0.04 1.67 1.17 2oo6A1 ARG 75 HG3 -0.77 0.05 0.00 -0.04 1.67 0.91 2oo6A1 ARG 75 HD2 -0.11 0.04 0.05 -0.04 3.22 3.15 2oo6A1 ARG 75 HD3 -0.09 -0.02 -0.00 -0.04 3.22 3.06 2oo6A1 PRO 76 HA -0.09 0.05 0.38 -0.51 4.44 4.27 2oo6A1 PRO 76 HB2 -0.08 0.02 -0.04 -0.04 2.28 2.14 2oo6A1 PRO 76 HB3 -0.07 -0.00 0.07 -0.04 2.02 1.98 2oo6A1 PRO 76 HG2 -0.08 0.05 0.01 -0.04 2.03 1.97 2oo6A1 PRO 76 HG3 -0.08 0.01 0.03 -0.04 2.03 1.95 2oo6A1 PRO 76 HD2 -0.13 0.10 -0.28 -0.04 3.68 3.33 2oo6A1 PRO 76 HD3 -0.15 0.13 0.04 -0.04 3.65 3.64 2oo6A1 ALA 77 H -0.13 0.39 -0.27 -0.55 8.40 7.84 2oo6A1 ALA 77 HA -0.09 0.19 0.89 -0.75 4.34 4.57 2oo6A1 ALA 77 HB3 -0.09 -0.03 0.08 -0.04 1.41 1.33 2oo6A1 THR 78 H -0.14 0.35 -0.21 -0.55 8.28 7.74 2oo6A1 THR 78 HA -0.14 -0.01 0.37 -0.75 4.39 3.85 2oo6A1 THR 78 HB -0.25 0.19 0.09 -0.04 4.32 4.31 2oo6A1 THR 78 HG23 0.02 -0.01 -0.10 -0.04 1.22 1.10 2oo6A1 GLY 79 H -0.15 0.02 0.12 -0.55 8.43 7.87 2oo6A1 GLY 79 HA2 -0.54 -0.03 0.35 -0.51 4.01 3.29 2oo6A1 GLY 79 HA3 -0.24 0.21 0.71 -0.51 4.01 4.18 2oo6A1 GLY 80 H -1.12 0.14 0.13 -0.55 8.43 7.03 2oo6A1 GLY 80 HA2 -0.29 0.10 0.34 -0.51 4.01 3.65 2oo6A1 GLY 80 HA3 -0.26 0.09 0.26 -0.51 4.01 3.58 2oo6A1 VAL 81 H -0.20 0.24 0.18 -0.55 8.24 7.90 2oo6A1 VAL 81 HA -0.24 0.01 0.20 -0.75 4.13 3.35 2oo6A1 VAL 81 HB -0.13 0.07 0.13 -0.04 2.12 2.16 2oo6A1 VAL 81 HG13 -0.10 -0.01 -0.27 -0.04 0.97 0.55 2oo6A1 VAL 81 HG23 -0.12 0.08 -0.03 -0.04 0.95 0.84 2oo6A1 VAL 82 H -0.19 0.32 -0.06 -0.55 8.24 7.76 2oo6A1 VAL 82 HA -0.11 -0.00 0.41 -0.75 4.13 3.67 2oo6A1 VAL 82 HB -0.17 0.31 0.15 -0.04 2.12 2.37 2oo6A1 VAL 82 HG13 -0.12 -0.01 -0.19 -0.04 0.97 0.61 2oo6A1 VAL 82 HG23 -0.11 -0.02 0.03 -0.04 0.95 0.81 2oo6A1 SER 83 H -0.31 0.47 -0.40 -0.55 8.46 7.67 2oo6A1 SER 83 HA 0.01 0.02 0.30 -0.75 4.49 4.07 2oo6A1 SER 83 HB2 -0.86 0.04 -0.17 -0.04 3.95 2.92 2oo6A1 SER 83 HB3 0.14 0.04 -0.03 -0.04 3.93 4.03 2oo6A1 GLU 84 H -0.18 0.51 -0.26 -0.55 8.60 8.12 2oo6A1 GLU 84 HA 0.14 0.22 0.58 -0.75 4.29 4.48 2oo6A1 GLU 84 HB2 -0.21 0.12 0.11 -0.04 2.09 2.07 2oo6A1 GLU 84 HB3 -0.15 -0.11 -0.03 -0.04 1.99 1.67 2oo6A1 GLU 84 HG2 -0.81 -0.11 0.03 -0.04 2.34 1.42 2oo6A1 GLU 84 HG3 -0.37 0.13 -0.07 -0.04 2.34 1.99 2oo6A1 GLY 85 H -0.10 0.56 -0.18 -0.55 8.43 8.17 2oo6A1 GLY 85 HA2 -0.19 -0.06 0.43 -0.51 4.01 3.68 2oo6A1 GLY 85 HA3 -0.09 0.07 0.27 -0.51 4.01 3.75 2oo6A1 ILE 86 H 0.03 0.53 -0.13 -0.55 8.25 8.13 2oo6A1 ILE 86 HA 0.21 0.00 0.36 -0.75 4.18 4.00 2oo6A1 ILE 86 HB 0.15 0.11 0.11 -0.04 1.89 2.22 2oo6A1 ILE 86 HG12 -0.06 -0.04 -0.06 -0.04 1.49 1.30 2oo6A1 ILE 86 HG13 -0.02 0.12 -0.02 -0.04 1.21 1.25 2oo6A1 ILE 86 HG23 0.21 -0.01 -0.10 -0.04 0.93 0.98 2oo6A1 ILE 86 HD13 -0.13 -0.00 -0.21 -0.04 0.88 0.50 2oo6A1 GLY 87 H 0.19 0.69 -0.21 -0.55 8.43 8.56 2oo6A1 GLY 87 HA2 0.28 -0.05 0.19 -0.51 4.01 3.92 2oo6A1 GLY 87 HA3 0.26 0.27 -0.08 -0.51 4.01 3.94 2oo6A1 ALA 88 H 0.09 0.59 -0.21 -0.55 8.40 8.32 2oo6A1 ALA 88 HA 0.17 0.00 0.41 -0.75 4.34 4.17 2oo6A1 ALA 88 HB3 -0.10 0.01 0.01 -0.04 1.41 1.29 2oo6A1 ILE 89 H 0.08 0.57 -0.16 -0.55 8.25 8.19 2oo6A1 ILE 89 HA 0.04 -0.01 0.48 -0.75 4.18 3.94 2oo6A1 ILE 89 HB 0.23 0.16 0.09 -0.04 1.89 2.33 2oo6A1 ILE 89 HG12 -0.04 -0.05 -0.03 -0.04 1.49 1.33 2oo6A1 ILE 89 HG13 -0.01 0.03 0.03 -0.04 1.21 1.22 2oo6A1 ILE 89 HG23 -0.39 -0.01 -0.16 -0.04 0.93 0.33 2oo6A1 ILE 89 HD13 0.10 0.01 -0.10 -0.04 0.88 0.85 2oo6A1 GLU 90 H 0.24 0.70 -0.12 -0.55 8.60 8.87 2oo6A1 GLU 90 HA 0.20 0.02 0.41 -0.75 4.29 4.16 2oo6A1 GLU 90 HB2 0.35 0.09 0.11 -0.04 2.09 2.59 2oo6A1 GLU 90 HB3 0.27 0.15 0.23 -0.04 1.99 2.60 2oo6A1 GLU 90 HG2 0.24 -0.14 -0.17 -0.04 2.34 2.22 2oo6A1 GLU 90 HG3 0.15 0.00 0.03 -0.04 2.34 2.48 2oo6A1 ASN 91 H 0.23 0.59 -0.19 -0.55 8.53 8.62 2oo6A1 ASN 91 HA 0.56 -0.06 0.49 -0.75 4.76 4.99 2oo6A1 ASN 91 HB2 0.23 0.18 0.27 -0.04 2.88 3.52 2oo6A1 ASN 91 HB3 0.27 -0.04 0.18 -0.04 2.79 3.15 2oo6A1 ASN 91 HD21 0.06 0.21 0.14 -0.04 7.03 7.40 2oo6A1 ASN 91 HD22 0.09 0.03 0.15 -0.04 7.74 7.96 2oo6A1 ALA 92 H 0.22 0.45 -0.28 -0.55 8.40 8.24 2oo6A1 ALA 92 HA 0.30 0.06 0.10 -0.75 4.34 4.05 2oo6A1 ALA 92 HB3 0.10 0.03 -0.08 -0.04 1.41 1.42 2oo6A1 LEU 93 H 0.06 0.66 -0.08 -0.55 8.37 8.47 2oo6A1 LEU 93 HA -0.04 0.02 0.44 -0.75 4.35 4.02 2oo6A1 LEU 93 HB2 0.03 0.09 0.19 -0.04 1.64 1.91 2oo6A1 LEU 93 HB3 0.01 0.00 -0.01 -0.04 1.64 1.60 2oo6A1 LEU 93 HG -0.11 0.03 -0.01 -0.04 1.64 1.51 2oo6A1 LEU 93 HD13 -0.06 -0.03 -0.08 -0.04 0.93 0.72 2oo6A1 LEU 93 HD23 -0.08 0.02 -0.02 -0.04 0.89 0.77 2oo6A1 LEU 94 H 0.03 0.50 -0.19 -0.55 8.37 8.17 2oo6A1 LEU 94 HA -0.24 0.06 0.40 -0.75 4.35 3.81 2oo6A1 LEU 94 HB2 0.12 0.08 0.21 -0.04 1.64 2.01 2oo6A1 LEU 94 HB3 -0.31 -0.01 0.02 -0.04 1.64 1.29 2oo6A1 LEU 94 HG -0.19 0.13 0.07 -0.04 1.64 1.61 2oo6A1 LEU 94 HD13 0.34 -0.06 -0.02 -0.04 0.93 1.15 2oo6A1 LEU 94 HD23 -0.58 0.01 0.00 -0.04 0.89 0.28 2oo6A1 ASP 95 H -0.10 0.53 -0.08 -0.55 8.40 8.20 2oo6A1 ASP 95 HA -0.68 -0.08 0.53 -0.75 4.63 3.65 2oo6A1 ASP 95 HB2 0.01 0.25 0.35 -0.04 2.71 3.28 2oo6A1 ASP 95 HB3 0.06 0.03 0.31 -0.04 2.70 3.07 2oo6A1 ALA 96 H -0.07 0.52 -0.18 -0.55 8.40 8.12 2oo6A1 ALA 96 HA -0.06 0.03 0.21 -0.75 4.34 3.76 2oo6A1 ALA 96 HB3 -0.06 0.01 0.03 -0.04 1.41 1.34 2oo6A1 LYS 97 H -0.10 0.68 -0.12 -0.55 8.42 8.32 2oo6A1 LYS 97 HA -0.06 -0.02 0.39 -0.75 4.32 3.88 2oo6A1 LYS 97 HB2 -0.04 0.11 0.08 -0.04 1.87 1.98 2oo6A1 LYS 97 HB3 -0.11 0.03 0.17 -0.04 1.79 1.84 2oo6A1 LYS 97 HG2 -0.06 0.02 -0.20 -0.04 1.46 1.18 2oo6A1 LYS 97 HG3 -0.04 -0.06 0.02 -0.04 1.46 1.33 2oo6A1 LYS 97 HD2 0.07 0.03 0.09 -0.04 1.69 1.84 2oo6A1 LYS 97 HD3 0.02 -0.04 0.03 -0.04 1.68 1.65 2oo6A1 LYS 97 HE2 -0.03 0.02 0.02 -0.04 2.99 2.95 2oo6A1 LYS 97 HE3 -0.04 -0.05 0.05 -0.04 2.99 2.91 2oo6A1 ALA 98 H -0.19 0.62 -0.09 -0.55 8.40 8.19 2oo6A1 ALA 98 HA -0.12 0.04 0.36 -0.75 4.34 3.87 2oo6A1 ALA 98 HB3 -0.26 0.06 0.06 -0.04 1.41 1.23 2oo6A1 LYS 99 H -0.12 0.64 -0.05 -0.55 8.42 8.33 2oo6A1 LYS 99 HA -0.06 -0.03 0.36 -0.75 4.32 3.84 2oo6A1 LYS 99 HB2 -0.05 0.07 0.10 -0.04 1.87 1.95 2oo6A1 LYS 99 HB3 -0.02 -0.03 -0.04 -0.04 1.79 1.66 2oo6A1 LYS 99 HG2 -0.01 0.01 -0.18 -0.04 1.46 1.24 2oo6A1 LYS 99 HG3 -0.07 -0.05 -0.05 -0.04 1.46 1.25 2oo6A1 LYS 99 HD2 0.02 -0.03 -0.08 -0.04 1.69 1.56 2oo6A1 LYS 99 HD3 0.05 -0.03 0.02 -0.04 1.68 1.68 2oo6A1 LYS 99 HE2 0.10 0.04 -0.01 -0.04 2.99 3.08 2oo6A1 LYS 99 HE3 0.07 -0.18 0.08 -0.04 2.99 2.93 2oo6A1 THR 100 H -0.06 0.56 -0.23 -0.55 8.28 8.00 2oo6A1 THR 100 HA -0.03 -0.01 0.48 -0.75 4.39 4.07 2oo6A1 THR 100 HB -0.05 0.16 0.16 -0.04 4.32 4.56 2oo6A1 THR 100 HG23 -0.03 -0.03 -0.03 -0.04 1.22 1.09 2oo6A1 LEU 101 H -0.05 0.41 -0.23 -0.55 8.37 7.95 2oo6A1 LEU 101 HA -0.03 0.11 0.72 -0.75 4.35 4.40 2oo6A1 LEU 101 HB2 -0.05 0.04 0.08 -0.04 1.64 1.67 2oo6A1 LEU 101 HB3 -0.03 -0.04 0.11 -0.04 1.64 1.64 2oo6A1 LEU 101 HG -0.04 0.02 -0.03 -0.04 1.64 1.55 2oo6A1 LEU 101 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.80 2oo6A1 LEU 101 HD23 -0.02 -0.00 -0.03 -0.04 0.89 0.80 2oo6A1 ASN 102 H -0.04 0.26 -0.50 -0.55 8.53 7.70 2oo6A1 ASN 102 HA -0.04 -0.03 0.34 -0.75 4.76 4.28 2oo6A1 ASN 102 HB2 -0.02 0.01 -0.18 -0.04 2.88 2.65 2oo6A1 ASN 102 HB3 -0.02 0.09 0.15 -0.04 2.79 2.97 2oo6A1 ASN 102 HD21 -0.01 -0.06 0.05 -0.04 7.03 6.97 2oo6A1 ASN 102 HD22 -0.01 0.01 0.07 -0.04 7.74 7.77 2oo6A1 VAL 103 H -0.08 0.45 -0.06 -0.55 8.24 8.00 2oo6A1 VAL 103 HA -0.08 0.23 0.74 -0.75 4.13 4.26 2oo6A1 VAL 103 HB -0.11 -0.00 0.03 -0.04 2.12 2.00 2oo6A1 VAL 103 HG13 -0.03 0.07 -0.21 -0.04 0.97 0.75 2oo6A1 VAL 103 HG23 -0.09 -0.01 -0.18 -0.04 0.95 0.63 2oo6A1 PRO 104 HA -0.23 0.37 0.60 -0.51 4.44 4.67 2oo6A1 PRO 104 HB2 -1.47 -0.19 -0.04 -0.04 2.28 0.53 2oo6A1 PRO 104 HB3 -0.41 0.16 0.01 -0.04 2.02 1.74 2oo6A1 PRO 104 HG2 -0.39 0.03 0.02 -0.04 2.03 1.66 2oo6A1 PRO 104 HG3 -0.18 0.11 -0.30 -0.04 2.03 1.62 2oo6A1 PRO 104 HD2 -0.23 0.04 0.15 -0.04 3.68 3.59 2oo6A1 PRO 104 HD3 -0.13 0.23 0.04 -0.04 3.65 3.76 2oo6A1 CYS 105 H -0.24 0.61 0.11 -0.55 8.50 8.44 2oo6A1 CYS 105 HA -0.29 0.06 0.29 -0.75 4.58 3.89 2oo6A1 CYS 105 HB2 -0.19 0.09 -0.01 -0.04 2.97 2.82 2oo6A1 CYS 105 HB3 -0.39 -0.02 -0.10 -0.04 2.97 2.42 2oo6A1 TYR 106 H -0.20 0.18 -0.30 -0.55 8.29 7.42 2oo6A1 TYR 106 HA 0.11 0.08 0.29 -0.75 4.56 4.29 2oo6A1 TYR 106 HB2 0.06 0.08 -0.15 -0.04 3.06 3.00 2oo6A1 TYR 106 HB3 0.10 0.06 0.07 -0.04 2.98 3.17 2oo6A1 TYR 106 HD2 0.05 -0.04 -0.25 -0.04 7.15 6.87 2oo6A1 TYR 106 HE2 0.02 0.19 -0.00 -0.04 6.85 7.01 2oo6A1 GLU 107 H -0.22 0.48 -0.47 -0.55 8.60 7.85 2oo6A1 GLU 107 HA 0.17 0.00 0.47 -0.75 4.29 4.18 2oo6A1 GLU 107 HB2 -0.08 0.16 -0.02 -0.04 2.09 2.11 2oo6A1 GLU 107 HB3 0.02 -0.00 0.02 -0.04 1.99 1.99 2oo6A1 GLU 107 HG2 -0.11 -0.04 0.01 -0.04 2.34 2.15 2oo6A1 GLU 107 HG3 -0.03 0.04 0.04 -0.04 2.34 2.35 2oo6A1 LEU 108 H 0.02 0.50 -0.25 -0.55 8.37 8.10 2oo6A1 LEU 108 HA 0.12 0.16 0.81 -0.75 4.35 4.68 2oo6A1 LEU 108 HB2 0.09 0.05 0.03 -0.04 1.64 1.76 2oo6A1 LEU 108 HB3 0.11 -0.07 0.13 -0.04 1.64 1.76 2oo6A1 LEU 108 HG -0.08 0.03 -0.02 -0.04 1.64 1.53 2oo6A1 LEU 108 HD13 -0.14 -0.04 -0.00 -0.04 0.93 0.70 2oo6A1 LEU 108 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.74 2oo6A1 LEU 109 H 0.18 0.44 -0.43 -0.55 8.37 8.01 2oo6A1 LEU 109 HA 0.25 0.11 0.55 -0.75 4.35 4.51 2oo6A1 LEU 109 HB2 0.18 0.16 0.03 -0.04 1.64 1.98 2oo6A1 LEU 109 HB3 0.13 -0.02 0.10 -0.04 1.64 1.81 2oo6A1 LEU 109 HG 0.23 0.17 -0.19 -0.04 1.64 1.80 2oo6A1 LEU 109 HD13 0.35 -0.01 -0.26 -0.04 0.93 0.97 2oo6A1 LEU 109 HD23 0.41 -0.01 -0.26 -0.04 0.89 0.98 2oo6A1 GLY 110 H 0.14 0.08 -0.24 -0.55 8.43 7.85 2oo6A1 GLY 110 HA2 0.07 -0.05 0.26 -0.51 4.01 3.77 2oo6A1 GLY 110 HA3 0.03 0.21 0.82 -0.51 4.01 4.56 2oo6A1 GLY 111 H 0.13 0.04 0.05 -0.55 8.43 8.10 2oo6A1 GLY 111 HA2 0.19 -0.10 0.21 -0.51 4.01 3.80 2oo6A1 GLY 111 HA3 0.07 0.12 0.55 -0.51 4.01 4.24 2oo6A1 LYS 112 H -0.05 0.01 0.02 -0.55 8.42 7.85 2oo6A1 LYS 112 HA -0.17 0.19 0.49 -0.75 4.32 4.08 2oo6A1 LYS 112 HB2 -0.40 0.15 0.11 -0.04 1.87 1.69 2oo6A1 LYS 112 HB3 -1.21 -0.10 0.00 -0.04 1.79 0.44 2oo6A1 LYS 112 HG2 -0.31 -0.09 0.02 -0.04 1.46 1.04 2oo6A1 LYS 112 HG3 -0.21 0.01 -0.19 -0.04 1.46 1.04 2oo6A1 LYS 112 HD2 -0.33 0.17 -0.06 -0.04 1.69 1.43 2oo6A1 LYS 112 HD3 -0.91 -0.02 -0.02 -0.04 1.68 0.68 2oo6A1 LYS 112 HE2 -0.06 -0.04 -0.04 -0.04 2.99 2.82 2oo6A1 LYS 112 HE3 -0.10 -0.03 -0.10 -0.04 2.99 2.72 2oo6A1 LEU 113 H -0.12 0.77 0.35 -0.55 8.37 8.82 2oo6A1 LEU 113 HA -0.06 0.12 0.87 -0.75 4.35 4.52 2oo6A1 LEU 113 HB2 -0.07 0.21 -0.00 -0.04 1.64 1.73 2oo6A1 LEU 113 HB3 -0.05 -0.06 -0.08 -0.04 1.64 1.40 2oo6A1 LEU 113 HG -0.04 -0.06 0.02 -0.04 1.64 1.52 2oo6A1 LEU 113 HD13 -0.05 0.05 -0.18 -0.04 0.93 0.71 2oo6A1 LEU 113 HD23 -0.05 -0.03 -0.11 -0.04 0.89 0.65 2oo6A1 ARG 114 H -0.11 0.29 0.26 -0.55 8.46 8.35 2oo6A1 ARG 114 HA -0.05 0.07 0.62 -0.75 4.34 4.22 2oo6A1 ARG 114 HB2 -0.03 -0.05 0.16 -0.04 1.90 1.94 2oo6A1 ARG 114 HB3 -0.04 0.11 -0.03 -0.04 1.80 1.80 2oo6A1 ARG 114 HG2 -0.06 0.07 -0.00 -0.04 1.67 1.64 2oo6A1 ARG 114 HG3 -0.04 -0.09 -0.22 -0.04 1.67 1.27 2oo6A1 ARG 114 HD2 -0.01 -0.01 -0.09 -0.04 3.22 3.07 2oo6A1 ARG 114 HD3 -0.01 0.13 0.06 -0.04 3.22 3.36 2oo6A1 ASP 115 H -0.04 0.13 0.18 -0.55 8.40 8.11 2oo6A1 ASP 115 HA -0.08 0.15 0.66 -0.75 4.63 4.61 2oo6A1 ASP 115 HB2 -0.03 -0.01 0.07 -0.04 2.71 2.70 2oo6A1 ASP 115 HB3 -0.03 -0.01 0.02 -0.04 2.70 2.64 2oo6A1 ARG 116 H -0.03 0.15 0.11 -0.55 8.46 8.14 2oo6A1 ARG 116 HA -0.01 0.29 0.91 -0.75 4.34 4.76 2oo6A1 ARG 116 HB2 -0.01 -0.03 -0.04 -0.04 1.90 1.79 2oo6A1 ARG 116 HB3 0.00 0.02 -0.12 -0.04 1.80 1.66 2oo6A1 ARG 116 HG2 -0.02 0.12 -0.16 -0.04 1.67 1.56 2oo6A1 ARG 116 HG3 -0.02 -0.11 -0.29 -0.04 1.67 1.21 2oo6A1 ARG 116 HD2 -0.01 0.00 -0.10 -0.04 3.22 3.07 2oo6A1 ARG 116 HD3 -0.01 0.04 -0.16 -0.04 3.22 3.05 2oo6A1 VAL 117 H 0.02 0.53 0.21 -0.55 8.24 8.44 2oo6A1 VAL 117 HA 0.03 0.28 0.88 -0.75 4.13 4.56 2oo6A1 VAL 117 HB 0.04 -0.12 0.06 -0.04 2.12 2.06 2oo6A1 VAL 117 HG13 0.06 0.04 -0.15 -0.04 0.97 0.88 2oo6A1 VAL 117 HG23 0.02 0.02 -0.31 -0.04 0.95 0.63 2oo6A1 PRO 118 HA 0.06 0.17 0.77 -0.51 4.44 4.93 2oo6A1 PRO 118 HB2 0.07 -0.02 0.08 -0.04 2.28 2.37 2oo6A1 PRO 118 HB3 0.05 0.08 0.14 -0.04 2.02 2.25 2oo6A1 PRO 118 HG2 0.05 0.08 0.08 -0.04 2.03 2.20 2oo6A1 PRO 118 HG3 0.03 0.03 0.05 -0.04 2.03 2.10 2oo6A1 PRO 118 HD2 0.05 0.10 0.19 -0.04 3.68 3.98 2oo6A1 PRO 118 HD3 0.03 0.21 0.17 -0.04 3.65 4.02 2oo6A1 VAL 119 H 0.10 0.48 0.38 -0.55 8.24 8.65 2oo6A1 VAL 119 HA 0.03 0.23 1.08 -0.75 4.13 4.72 2oo6A1 VAL 119 HB -0.05 0.02 -0.03 -0.04 2.12 2.02 2oo6A1 VAL 119 HG13 0.15 0.01 -0.23 -0.04 0.97 0.86 2oo6A1 VAL 119 HG23 0.15 -0.00 -0.23 -0.04 0.95 0.82 2oo6A1 TYR 120 H -0.24 0.46 0.23 -0.55 8.29 8.19 2oo6A1 TYR 120 HA -0.08 0.27 0.56 -0.75 4.56 4.55 2oo6A1 TYR 120 HB2 -0.30 -0.02 -0.42 -0.04 3.06 2.28 2oo6A1 TYR 120 HB3 -0.40 0.08 -0.14 -0.04 2.98 2.47 2oo6A1 TYR 120 HD2 -0.26 0.05 -0.50 -0.04 7.15 6.41 2oo6A1 TYR 120 HE2 -0.04 -0.03 -0.23 -0.04 6.85 6.50 2oo6A1 TRP 121 H 0.14 0.72 0.24 -0.55 7.97 8.52 2oo6A1 TRP 121 HA -0.38 0.13 0.74 -0.75 4.62 4.35 2oo6A1 TRP 121 HB2 -0.68 0.02 0.09 -0.04 3.23 2.63 2oo6A1 TRP 121 HB3 -0.26 0.07 0.28 -0.04 3.23 3.28 2oo6A1 TRP 121 HD1 -0.28 0.28 -0.20 -0.04 7.22 6.99 2oo6A1 TRP 121 HE1 -0.18 -0.03 -0.01 -0.04 10.20 9.93 2oo6A1 TRP 121 HE3 -0.34 0.04 0.01 -0.04 7.59 7.26 2oo6A1 TRP 121 HZ2 -0.08 -0.00 -0.07 -0.04 7.44 7.24 2oo6A1 TRP 121 HZ3 -0.01 0.05 -0.20 -0.04 7.13 6.93 2oo6A1 TRP 121 HH2 -0.04 0.04 -0.08 -0.04 7.19 7.08 2oo6A1 SER 122 H -0.03 0.77 0.44 -0.55 8.46 9.09 2oo6A1 SER 122 HA -0.04 0.02 0.48 -0.75 4.49 4.20 2oo6A1 SER 122 HB2 -0.37 0.04 0.06 -0.04 3.95 3.63 2oo6A1 SER 122 HB3 -0.27 0.01 -0.07 -0.04 3.93 3.55 2oo6A1 HIS 123 H -0.56 0.11 0.13 -0.55 8.41 7.55 2oo6A1 HIS 123 HA -0.23 -0.02 0.33 -0.75 4.63 3.95 2oo6A1 HIS 123 HB2 -1.19 0.14 0.07 -0.04 3.26 2.24 2oo6A1 HIS 123 HB3 -1.23 -0.08 0.12 -0.04 3.20 1.96 2oo6A1 HIS 123 HD2 -0.16 0.01 -0.05 -0.04 6.97 6.72 2oo6A1 HIS 123 HE1 -0.05 -0.01 -0.10 -0.04 7.75 7.54 2oo6A1 CYS 124 H -0.19 0.95 0.13 -0.55 8.50 8.85 2oo6A1 CYS 124 HA -0.29 0.06 0.81 -0.75 4.58 4.41 2oo6A1 CYS 124 HB2 -1.05 0.07 -0.33 -0.04 2.97 1.62 2oo6A1 CYS 124 HB3 -0.55 0.08 0.07 -0.04 2.97 2.53 2oo6A1 PRO 125 HA -0.17 0.12 0.31 -0.51 4.44 4.19 2oo6A1 PRO 125 HB2 -0.13 -0.01 0.03 -0.04 2.28 2.13 2oo6A1 PRO 125 HB3 -0.18 0.11 0.03 -0.04 2.02 1.95 2oo6A1 PRO 125 HG2 -0.15 -0.01 -0.17 -0.04 2.03 1.66 2oo6A1 PRO 125 HG3 -0.17 0.04 0.01 -0.04 2.03 1.87 2oo6A1 PRO 125 HD2 0.09 -0.01 0.04 -0.04 3.68 3.76 2oo6A1 PRO 125 HD3 -0.13 0.23 0.34 -0.04 3.65 4.04 2oo6A1 THR 126 H 0.01 0.08 -0.52 -0.55 8.28 7.30 2oo6A1 THR 126 HA 0.27 0.06 0.21 -0.75 4.39 4.18 2oo6A1 THR 126 HB 0.09 -0.02 -0.01 -0.04 4.32 4.34 2oo6A1 THR 126 HG23 0.41 0.02 -0.11 -0.04 1.22 1.50 2oo6A1 TRP 127 H 0.22 0.58 -0.14 -0.55 7.97 8.08 2oo6A1 TRP 127 HA 0.06 0.03 0.36 -0.75 4.62 4.33 2oo6A1 TRP 127 HB2 -0.06 0.16 0.12 -0.04 3.23 3.41 2oo6A1 TRP 127 HB3 -0.16 0.03 -0.05 -0.04 3.23 3.02 2oo6A1 TRP 127 HD1 0.10 -0.03 -0.26 -0.04 7.22 6.99 2oo6A1 TRP 127 HE1 0.13 -0.01 -0.08 -0.04 10.20 10.20 2oo6A1 TRP 127 HE3 -0.44 0.05 -0.06 -0.04 7.59 7.10 2oo6A1 TRP 127 HZ2 0.16 -0.03 -0.03 -0.04 7.44 7.49 2oo6A1 TRP 127 HZ3 0.06 0.07 -0.07 -0.04 7.13 7.15 2oo6A1 TRP 127 HH2 0.00 0.11 -0.05 -0.04 7.19 7.21 2oo6A1 ARG 128 H 0.19 0.13 -0.21 -0.55 8.46 8.01 2oo6A1 ARG 128 HA 0.25 0.17 0.39 -0.75 4.34 4.40 2oo6A1 ARG 128 HB2 0.05 -0.01 0.00 -0.04 1.90 1.90 2oo6A1 ARG 128 HB3 0.09 0.11 -0.05 -0.04 1.80 1.90 2oo6A1 ARG 128 HG2 0.23 0.05 -0.38 -0.04 1.67 1.53 2oo6A1 ARG 128 HG3 0.21 -0.15 -0.14 -0.04 1.67 1.55 2oo6A1 ARG 128 HD2 0.05 -0.11 -0.07 -0.04 3.22 3.05 2oo6A1 ARG 128 HD3 0.11 0.22 -0.19 -0.04 3.22 3.31 2oo6A1 ILE 129 H 0.03 0.31 -0.35 -0.55 8.25 7.70 2oo6A1 ILE 129 HA -0.02 0.27 0.78 -0.75 4.18 4.45 2oo6A1 ILE 129 HB -0.19 0.03 0.03 -0.04 1.89 1.72 2oo6A1 ILE 129 HG12 -0.22 0.05 -0.18 -0.04 1.49 1.10 2oo6A1 ILE 129 HG13 -0.20 0.02 -0.15 -0.04 1.21 0.85 2oo6A1 ILE 129 HG23 -0.05 -0.01 -0.24 -0.04 0.93 0.59 2oo6A1 ILE 129 HD13 -0.96 -0.05 -0.27 -0.04 0.88 -0.44 2oo6A1 ASN 130 H 0.07 0.41 0.06 -0.55 8.53 8.52 2oo6A1 ASN 130 HA -0.08 0.13 0.39 -0.75 4.76 4.45 2oo6A1 ASN 130 HB2 -0.24 -0.02 0.06 -0.04 2.88 2.63 2oo6A1 ASN 130 HB3 -0.67 -0.03 0.02 -0.04 2.79 2.08 2oo6A1 ASN 130 HD21 0.18 -0.07 -0.03 -0.04 7.03 7.07 2oo6A1 ASN 130 HD22 0.19 -0.04 -0.07 -0.04 7.74 7.78 2oo6A1 HIS 131 H 0.03 0.53 -0.16 -0.55 8.41 8.27 2oo6A1 HIS 131 HA -0.02 0.15 0.85 -0.75 4.63 4.85 2oo6A1 HIS 131 HB2 -0.10 0.06 0.15 -0.04 3.26 3.33 2oo6A1 HIS 131 HB3 -0.08 -0.11 0.13 -0.04 3.20 3.11 2oo6A1 HIS 131 HD2 -0.27 0.06 0.01 -0.04 6.97 6.72 2oo6A1 HIS 131 HE1 -0.90 -0.04 -0.09 -0.04 7.75 6.68 2oo6A1 PRO 132 HA 0.12 0.38 0.52 -0.51 4.44 4.95 2oo6A1 PRO 132 HB2 0.02 -0.03 0.02 -0.04 2.28 2.25 2oo6A1 PRO 132 HB3 0.05 0.14 0.15 -0.04 2.02 2.32 2oo6A1 PRO 132 HG2 0.00 -0.06 -0.00 -0.04 2.03 1.93 2oo6A1 PRO 132 HG3 0.02 0.10 0.02 -0.04 2.03 2.13 2oo6A1 PRO 132 HD2 0.01 0.15 -0.19 -0.04 3.68 3.62 2oo6A1 PRO 132 HD3 0.02 0.29 -0.50 -0.04 3.65 3.42 2oo6A1 LYS 133 H -0.07 0.11 -0.27 -0.55 8.42 7.64 2oo6A1 LYS 133 HA -0.20 0.09 0.43 -0.75 4.32 3.89 2oo6A1 LYS 133 HB2 -0.23 0.01 0.06 -0.04 1.87 1.67 2oo6A1 LYS 133 HB3 -0.54 -0.03 0.00 -0.04 1.79 1.18 2oo6A1 LYS 133 HG2 -1.41 -0.03 -0.15 -0.04 1.46 -0.17 2oo6A1 LYS 133 HG3 -0.40 0.01 0.05 -0.04 1.46 1.08 2oo6A1 LYS 133 HD2 -0.16 0.00 0.00 -0.04 1.69 1.49 2oo6A1 LYS 133 HD3 -0.19 0.01 -0.01 -0.04 1.68 1.44 2oo6A1 LYS 133 HE2 0.01 0.01 -0.01 -0.04 2.99 2.97 2oo6A1 LYS 133 HE3 -0.11 -0.02 -0.04 -0.04 2.99 2.77 2oo6A1 PHE 134 H -0.06 0.33 -0.44 -0.55 8.34 7.61 2oo6A1 PHE 134 HA -0.13 0.14 0.80 -0.75 4.62 4.67 2oo6A1 PHE 134 HB2 -0.61 0.09 0.01 -0.04 3.15 2.61 2oo6A1 PHE 134 HB3 -0.66 -0.11 -0.01 -0.04 3.06 2.24 2oo6A1 PHE 134 HD2 0.09 0.01 -0.04 -0.04 7.28 7.30 2oo6A1 PHE 134 HE2 0.20 0.04 -0.09 -0.04 7.38 7.49 2oo6A1 PHE 134 HZ 0.10 0.13 -0.08 -0.04 7.32 7.43 2oo6A1 PHE 135 H 0.08 0.47 0.14 -0.55 8.34 8.47 2oo6A1 PHE 135 HA 0.14 0.17 0.90 -0.75 4.62 5.07 2oo6A1 PHE 135 HB2 0.21 0.02 -0.22 -0.04 3.15 3.11 2oo6A1 PHE 135 HB3 0.21 0.01 -0.08 -0.04 3.06 3.17 2oo6A1 PHE 135 HD2 0.17 0.16 -0.21 -0.04 7.28 7.36 2oo6A1 PHE 135 HE2 -0.23 -0.12 -0.36 -0.04 7.38 6.64 2oo6A1 PHE 135 HZ -0.00 -0.04 -0.15 -0.04 7.32 7.08 2oo6A1 GLY 136 H 0.25 0.20 0.12 -0.55 8.43 8.46 2oo6A1 GLY 136 HA2 0.14 0.14 0.52 -0.51 4.01 4.31 2oo6A1 GLY 136 HA3 0.12 0.03 0.25 -0.51 4.01 3.89 2oo6A1 PRO 137 HA 0.08 0.09 0.40 -0.51 4.44 4.50 2oo6A1 PRO 137 HB2 0.05 0.11 -0.00 -0.04 2.28 2.40 2oo6A1 PRO 137 HB3 0.06 -0.00 0.10 -0.04 2.02 2.13 2oo6A1 PRO 137 HG2 0.06 0.01 0.04 -0.04 2.03 2.09 2oo6A1 PRO 137 HG3 0.06 0.01 0.06 -0.04 2.03 2.13 2oo6A1 PRO 137 HD2 0.13 0.09 0.38 -0.04 3.68 4.23 2oo6A1 PRO 137 HD3 0.10 0.08 0.11 -0.04 3.65 3.90 2oo6A1 PRO 138 HA 0.07 0.26 0.54 -0.51 4.44 4.80 2oo6A1 PRO 138 HB2 0.03 -0.08 -0.03 -0.04 2.28 2.15 2oo6A1 PRO 138 HB3 0.03 0.09 0.10 -0.04 2.02 2.20 2oo6A1 PRO 138 HG2 0.03 -0.00 0.07 -0.04 2.03 2.09 2oo6A1 PRO 138 HG3 0.04 0.19 0.13 -0.04 2.03 2.35 2oo6A1 PRO 138 HD2 0.04 0.05 0.19 -0.04 3.68 3.92 2oo6A1 PRO 138 HD3 0.06 0.08 0.23 -0.04 3.65 3.98 2oo6A1 VAL 139 H 0.02 0.57 0.09 -0.55 8.24 8.37 2oo6A1 VAL 139 HA -0.00 0.01 0.81 -0.75 4.13 4.19 2oo6A1 VAL 139 HB -0.05 0.02 -0.19 -0.04 2.12 1.86 2oo6A1 VAL 139 HG13 -0.07 -0.07 -0.26 -0.04 0.97 0.53 2oo6A1 VAL 139 HG23 -0.02 0.05 -0.23 -0.04 0.95 0.71 2oo6A1 THR 140 H 0.00 -0.04 0.15 -0.55 8.28 7.84 2oo6A1 THR 140 HA -0.01 0.30 0.92 -0.75 4.39 4.84 2oo6A1 THR 140 HB 0.02 0.01 0.14 -0.04 4.32 4.45 2oo6A1 THR 140 HG23 0.01 0.03 -0.26 -0.04 1.22 0.97 2oo6A1 ASP 141 H 0.02 0.04 0.19 -0.55 8.40 8.10 2oo6A1 ASP 141 HA 0.14 0.25 0.53 -0.75 4.63 4.80 2oo6A1 ASP 141 HB2 0.05 -0.08 0.21 -0.04 2.71 2.85 2oo6A1 ASP 141 HB3 0.04 0.27 -0.03 -0.04 2.70 2.94 2oo6A1 LEU 142 H 0.05 0.27 0.16 -0.55 8.37 8.30 2oo6A1 LEU 142 HA -0.10 0.12 0.38 -0.75 4.35 4.00 2oo6A1 LEU 142 HB2 -0.07 0.01 0.13 -0.04 1.64 1.66 2oo6A1 LEU 142 HB3 -0.14 0.08 0.04 -0.04 1.64 1.58 2oo6A1 LEU 142 HG -0.28 -0.04 0.03 -0.04 1.64 1.31 2oo6A1 LEU 142 HD13 -0.14 0.02 -0.00 -0.04 0.93 0.77 2oo6A1 LEU 142 HD23 -0.66 0.04 -0.12 -0.04 0.89 0.11 2oo6A1 ASP 143 H -0.02 0.09 -0.12 -0.55 8.40 7.81 2oo6A1 ASP 143 HA -0.04 0.00 0.46 -0.75 4.63 4.29 2oo6A1 ASP 143 HB2 -0.01 0.00 0.06 -0.04 2.71 2.72 2oo6A1 ASP 143 HB3 -0.02 0.00 -0.04 -0.04 2.70 2.60 2oo6A1 GLY 144 H -0.01 0.06 -0.23 -0.55 8.43 7.70 2oo6A1 GLY 144 HA2 -0.02 0.13 0.41 -0.51 4.01 4.02 2oo6A1 GLY 144 HA3 -0.02 0.00 0.31 -0.51 4.01 3.79 2oo6A1 VAL 145 H -0.05 0.32 -0.17 -0.55 8.24 7.78 2oo6A1 VAL 145 HA -0.15 0.03 0.43 -0.75 4.13 3.68 2oo6A1 VAL 145 HB -0.18 0.11 0.15 -0.04 2.12 2.17 2oo6A1 VAL 145 HG13 -0.50 0.02 -0.14 -0.04 0.97 0.32 2oo6A1 VAL 145 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.84 2oo6A1 LYS 146 H -0.11 0.50 -0.10 -0.55 8.42 8.15 2oo6A1 LYS 146 HA -0.11 0.12 0.41 -0.75 4.32 3.99 2oo6A1 LYS 146 HB2 -0.08 -0.01 0.16 -0.04 1.87 1.90 2oo6A1 LYS 146 HB3 -0.06 0.08 0.21 -0.04 1.79 1.97 2oo6A1 LYS 146 HG2 -0.05 0.00 -0.19 -0.04 1.46 1.18 2oo6A1 LYS 146 HG3 -0.06 -0.02 0.02 -0.04 1.46 1.36 2oo6A1 LYS 146 HD2 -0.05 -0.02 -0.00 -0.04 1.69 1.58 2oo6A1 LYS 146 HD3 -0.04 -0.06 -0.00 -0.04 1.68 1.54 2oo6A1 LYS 146 HE2 -0.03 -0.00 -0.07 -0.04 2.99 2.85 2oo6A1 LYS 146 HE3 -0.03 0.10 -0.21 -0.04 2.99 2.80 2oo6A1 ARG 147 H -0.06 0.50 -0.11 -0.55 8.46 8.25 2oo6A1 ARG 147 HA -0.03 0.03 0.36 -0.75 4.34 3.94 2oo6A1 ARG 147 HB2 -0.03 0.04 0.13 -0.04 1.90 2.00 2oo6A1 ARG 147 HB3 -0.01 -0.01 0.02 -0.04 1.80 1.76 2oo6A1 ARG 147 HG2 -0.02 -0.01 0.01 -0.04 1.67 1.62 2oo6A1 ARG 147 HG3 -0.02 0.14 0.01 -0.04 1.67 1.75 2oo6A1 ARG 147 HD2 0.00 0.02 -0.02 -0.04 3.22 3.19 2oo6A1 ARG 147 HD3 -0.00 -0.03 -0.04 -0.04 3.22 3.10 2oo6A1 THR 148 H -0.09 0.55 -0.22 -0.55 8.28 7.97 2oo6A1 THR 148 HA -0.10 0.02 0.48 -0.75 4.39 4.04 2oo6A1 THR 148 HB -0.21 0.10 0.10 -0.04 4.32 4.28 2oo6A1 THR 148 HG23 -0.37 -0.04 -0.08 -0.04 1.22 0.69 2oo6A1 ALA 149 H -0.16 0.48 -0.14 -0.55 8.40 8.04 2oo6A1 ALA 149 HA -0.22 -0.02 0.39 -0.75 4.34 3.74 2oo6A1 ALA 149 HB3 -0.13 0.02 0.05 -0.04 1.41 1.31 2oo6A1 GLU 150 H -0.07 0.49 -0.13 -0.55 8.60 8.35 2oo6A1 GLU 150 HA -0.02 0.26 0.50 -0.75 4.29 4.28 2oo6A1 GLU 150 HB2 -0.02 0.05 0.19 -0.04 2.09 2.27 2oo6A1 GLU 150 HB3 -0.00 -0.09 0.00 -0.04 1.99 1.86 2oo6A1 GLU 150 HG2 -0.02 0.04 0.10 -0.04 2.34 2.42 2oo6A1 GLU 150 HG3 -0.04 0.01 0.14 -0.04 2.34 2.42 2oo6A1 GLU 151 H -0.01 0.56 -0.20 -0.55 8.60 8.40 2oo6A1 GLU 151 HA 0.10 -0.03 0.43 -0.75 4.29 4.04 2oo6A1 GLU 151 HB2 0.07 0.05 0.13 -0.04 2.09 2.31 2oo6A1 GLU 151 HB3 0.08 0.15 0.15 -0.04 1.99 2.33 2oo6A1 GLU 151 HG2 0.34 -0.04 -0.16 -0.04 2.34 2.45 2oo6A1 GLU 151 HG3 0.16 -0.04 0.04 -0.04 2.34 2.46 2oo6A1 ALA 152 H -0.04 0.53 -0.14 -0.55 8.40 8.20 2oo6A1 ALA 152 HA 0.64 -0.05 0.39 -0.75 4.34 4.56 2oo6A1 ALA 152 HB3 -0.13 0.04 0.04 -0.04 1.41 1.32 2oo6A1 ARG 153 H 0.04 0.53 -0.25 -0.55 8.46 8.24 2oo6A1 ARG 153 HA 0.06 0.13 0.38 -0.75 4.34 4.15 2oo6A1 ARG 153 HB2 0.00 0.14 0.15 -0.04 1.90 2.15 2oo6A1 ARG 153 HB3 0.02 0.11 0.20 -0.04 1.80 2.09 2oo6A1 ARG 153 HG2 0.01 -0.11 -0.20 -0.04 1.67 1.33 2oo6A1 ARG 153 HG3 0.01 -0.01 0.03 -0.04 1.67 1.65 2oo6A1 ARG 153 HD2 -0.01 0.27 -0.09 -0.04 3.22 3.35 2oo6A1 ARG 153 HD3 -0.00 -0.04 -0.01 -0.04 3.22 3.13 2oo6A1 GLU 154 H 0.07 0.67 -0.00 -0.55 8.60 8.79 2oo6A1 GLU 154 HA 0.03 0.00 0.43 -0.75 4.29 4.00 2oo6A1 GLU 154 HB2 0.05 0.00 0.14 -0.04 2.09 2.23 2oo6A1 GLU 154 HB3 0.08 0.00 0.14 -0.04 1.99 2.17 2oo6A1 GLU 154 HG2 0.04 -0.02 -0.07 -0.04 2.34 2.25 2oo6A1 GLU 154 HG3 0.03 -0.03 0.08 -0.04 2.34 2.37 2oo6A1 ARG 155 H 0.17 0.61 -0.30 -0.55 8.46 8.38 2oo6A1 ARG 155 HA 0.03 0.05 0.47 -0.75 4.34 4.14 2oo6A1 ARG 155 HB2 0.46 0.10 0.11 -0.04 1.90 2.53 2oo6A1 ARG 155 HB3 0.26 -0.10 0.13 -0.04 1.80 2.05 2oo6A1 ARG 155 HG2 0.11 -0.04 0.00 -0.04 1.67 1.71 2oo6A1 ARG 155 HG3 0.17 0.04 0.01 -0.04 1.67 1.85 2oo6A1 ARG 155 HD2 0.16 -0.04 -0.03 -0.04 3.22 3.28 2oo6A1 ARG 155 HD3 0.33 -0.00 -0.10 -0.04 3.22 3.41 2oo6A1 GLN 156 H 0.01 0.45 -0.60 -0.55 8.47 7.78 2oo6A1 GLN 156 HA -0.07 0.00 0.26 -0.75 4.36 3.80 2oo6A1 GLN 156 HB2 -0.28 0.06 0.12 -0.04 2.15 2.02 2oo6A1 GLN 156 HB3 -0.15 0.00 0.13 -0.04 2.02 1.96 2oo6A1 GLN 156 HG2 -0.06 0.00 -0.03 -0.04 2.40 2.27 2oo6A1 GLN 156 HG3 -0.08 0.00 -0.28 -0.04 2.39 1.99 2oo6A1 GLN 156 HE21 -0.04 -0.05 0.02 -0.04 6.97 6.86 2oo6A1 GLN 156 HE22 -0.04 0.06 0.02 -0.04 7.69 7.68 2oo6A1 PHE 157 H 0.10 0.42 -0.18 -0.55 8.34 8.13 2oo6A1 PHE 157 HA 0.01 0.05 0.78 -0.75 4.62 4.71 2oo6A1 PHE 157 HB2 0.20 0.04 0.06 -0.04 3.15 3.41 2oo6A1 PHE 157 HB3 0.10 -0.04 0.10 -0.04 3.06 3.18 2oo6A1 PHE 157 HD2 0.04 0.06 -0.04 -0.04 7.28 7.31 2oo6A1 PHE 157 HE2 -0.34 -0.01 -0.11 -0.04 7.38 6.87 2oo6A1 PHE 157 HZ -0.41 -0.02 -0.09 -0.04 7.32 6.76 2oo6A1 ARG 158 H 0.14 0.19 0.26 -0.55 8.46 8.49 2oo6A1 ARG 158 HA 0.02 0.24 0.70 -0.75 4.34 4.55 2oo6A1 ARG 158 HB2 0.02 0.04 0.16 -0.04 1.90 2.07 2oo6A1 ARG 158 HB3 0.01 0.01 0.17 -0.04 1.80 1.94 2oo6A1 ARG 158 HG2 -0.00 0.01 -0.02 -0.04 1.67 1.62 2oo6A1 ARG 158 HG3 -0.01 0.03 -0.06 -0.04 1.67 1.59 2oo6A1 ARG 158 HD2 0.02 0.02 0.11 -0.04 3.22 3.32 2oo6A1 ARG 158 HD3 0.01 -0.04 0.05 -0.04 3.22 3.21 2oo6A1 ALA 159 H 0.08 0.11 0.07 -0.55 8.40 8.11 2oo6A1 ALA 159 HA -0.15 0.33 0.76 -0.75 4.34 4.52 2oo6A1 ALA 159 HB3 -0.38 0.02 -0.08 -0.04 1.41 0.94 2oo6A1 ILE 160 H -0.23 0.68 0.34 -0.55 8.25 8.48 2oo6A1 ILE 160 HA -0.10 0.17 0.87 -0.75 4.18 4.37 2oo6A1 ILE 160 HB -0.36 0.04 0.10 -0.04 1.89 1.63 2oo6A1 ILE 160 HG12 -0.17 0.15 0.01 -0.04 1.49 1.44 2oo6A1 ILE 160 HG13 -0.20 -0.08 -0.09 -0.04 1.21 0.80 2oo6A1 ILE 160 HG23 -0.19 -0.02 -0.21 -0.04 0.93 0.47 2oo6A1 ILE 160 HD13 -0.22 0.01 -0.10 -0.04 0.88 0.53 2oo6A1 LYS 161 H -0.15 0.53 0.27 -0.55 8.42 8.52 2oo6A1 LYS 161 HA -0.26 0.34 1.04 -0.75 4.32 4.68 2oo6A1 LYS 161 HB2 -0.49 0.03 -0.14 -0.04 1.87 1.23 2oo6A1 LYS 161 HB3 -0.09 -0.23 0.08 -0.04 1.79 1.51 2oo6A1 LYS 161 HG2 -0.12 -0.01 -0.22 -0.04 1.46 1.07 2oo6A1 LYS 161 HG3 -0.21 0.07 -0.28 -0.04 1.46 1.01 2oo6A1 LYS 161 HD2 0.15 -0.00 -0.23 -0.04 1.69 1.56 2oo6A1 LYS 161 HD3 -0.27 0.05 -0.18 -0.04 1.68 1.24 2oo6A1 LYS 161 HE2 -0.05 -0.09 -0.09 -0.04 2.99 2.71 2oo6A1 LYS 161 HE3 -0.07 -0.02 -0.12 -0.04 2.99 2.73 2oo6A1 THR 162 H -0.10 0.59 0.32 -0.55 8.28 8.54 2oo6A1 THR 162 HA 0.01 -0.06 0.82 -0.75 4.39 4.39 2oo6A1 THR 162 HB 0.04 0.20 0.01 -0.04 4.32 4.53 2oo6A1 THR 162 HG23 0.08 0.07 -0.05 -0.04 1.22 1.27 2oo6A1 ASN 163 H 0.22 0.07 0.03 -0.55 8.53 8.31 2oo6A1 ASN 163 HA -0.02 0.37 0.90 -0.75 4.76 5.25 2oo6A1 ASN 163 HB2 -0.09 0.00 0.06 -0.04 2.88 2.81 2oo6A1 ASN 163 HB3 -0.07 0.02 0.20 -0.04 2.79 2.90 2oo6A1 ASN 163 HD21 0.06 -0.08 -0.11 -0.04 7.03 6.86 2oo6A1 ASN 163 HD22 0.04 0.08 -0.05 -0.04 7.74 7.78 2oo6A1 ILE 164 H -0.23 0.19 0.20 -0.55 8.25 7.86 2oo6A1 ILE 164 HA -0.14 0.16 0.81 -0.75 4.18 4.26 2oo6A1 ILE 164 HB 0.08 0.15 0.26 -0.04 1.89 2.34 2oo6A1 ILE 164 HG12 0.00 0.03 -0.07 -0.04 1.49 1.42 2oo6A1 ILE 164 HG13 -0.01 -0.02 0.08 -0.04 1.21 1.21 2oo6A1 ILE 164 HG23 0.01 -0.01 -0.04 -0.04 0.93 0.85 2oo6A1 ILE 164 HD13 0.16 0.01 0.05 -0.04 0.88 1.06 2oo6A1 PHE 165 H -0.12 0.25 0.14 -0.55 8.34 8.06 2oo6A1 PHE 165 HA -0.12 0.23 0.98 -0.75 4.62 4.97 2oo6A1 PHE 165 HB2 -0.41 -0.02 -0.09 -0.04 3.15 2.59 2oo6A1 PHE 165 HB3 -0.32 0.04 -0.24 -0.04 3.06 2.50 2oo6A1 PHE 165 HD2 -0.35 0.09 -0.45 -0.04 7.28 6.53 2oo6A1 PHE 165 HE2 -0.02 -0.10 -0.18 -0.04 7.38 7.05 2oo6A1 PHE 165 HZ 0.04 -0.02 -0.04 -0.04 7.32 7.27 2oo6A1 ILE 166 H -0.19 0.80 0.23 -0.55 8.25 8.53 2oo6A1 ILE 166 HA -0.10 0.02 0.78 -0.75 4.18 4.14 2oo6A1 ILE 166 HB -1.00 0.14 0.11 -0.04 1.89 1.10 2oo6A1 ILE 166 HG12 -0.09 0.06 -0.16 -0.04 1.49 1.25 2oo6A1 ILE 166 HG13 -0.05 0.03 -0.09 -0.04 1.21 1.05 2oo6A1 ILE 166 HG23 -0.06 -0.03 -0.17 -0.04 0.93 0.63 2oo6A1 ILE 166 HD13 -0.36 0.00 -0.24 -0.04 0.88 0.24 2oo6A1 HIS 167 H 0.11 0.09 0.15 -0.55 8.41 8.22 2oo6A1 HIS 167 HA 0.02 0.20 0.62 -0.75 4.63 4.71 2oo6A1 HIS 167 HB2 0.02 0.01 0.07 -0.04 3.26 3.31 2oo6A1 HIS 167 HB3 0.02 -0.02 -0.03 -0.04 3.20 3.13 2oo6A1 HIS 167 HD2 0.12 0.21 -0.14 -0.04 6.97 7.11 2oo6A1 HIS 167 HE1 -0.00 -0.02 -0.33 -0.04 7.75 7.35 2oo6A1 ASP 168 H 0.06 0.01 0.01 -0.55 8.40 7.94 2oo6A1 ASP 168 HA 0.06 0.26 0.83 -0.75 4.63 5.04 2oo6A1 ASP 168 HB2 0.03 0.04 0.18 -0.04 2.71 2.92 2oo6A1 ASP 168 HB3 0.04 -0.01 0.01 -0.04 2.70 2.69 2oo6A1 ASP 169 H 0.09 0.28 -0.55 -0.55 8.40 7.67 2oo6A1 ASP 169 HA 0.06 0.14 0.76 -0.75 4.63 4.84 2oo6A1 ASP 169 HB2 0.06 -0.06 -0.22 -0.04 2.71 2.45 2oo6A1 ASP 169 HB3 0.19 0.01 0.00 -0.04 2.70 2.87 2oo6A1 GLY 170 H 0.07 0.07 -0.08 -0.55 8.43 7.94 2oo6A1 GLY 170 HA2 0.05 -0.02 0.28 -0.51 4.01 3.81 2oo6A1 GLY 170 HA3 0.06 0.16 0.65 -0.51 4.01 4.37 2oo6A1 PRO 171 HA 0.07 -0.02 0.44 -0.51 4.44 4.41 2oo6A1 PRO 171 HB2 0.07 0.09 -0.03 -0.04 2.28 2.38 2oo6A1 PRO 171 HB3 0.05 0.02 0.11 -0.04 2.02 2.16 2oo6A1 PRO 171 HG2 0.03 0.04 0.08 -0.04 2.03 2.14 2oo6A1 PRO 171 HG3 0.03 0.01 0.09 -0.04 2.03 2.12 2oo6A1 PRO 171 HD2 0.03 0.15 0.20 -0.04 3.68 4.01 2oo6A1 PRO 171 HD3 0.04 0.04 0.19 -0.04 3.65 3.88 2oo6A1 LEU 172 H 0.05 0.08 0.21 -0.55 8.37 8.17 2oo6A1 LEU 172 HA -0.05 0.18 0.50 -0.75 4.35 4.23 2oo6A1 LEU 172 HB2 -0.05 0.04 0.03 -0.04 1.64 1.61 2oo6A1 LEU 172 HB3 -0.02 0.01 0.14 -0.04 1.64 1.73 2oo6A1 LEU 172 HG -0.14 0.03 -0.31 -0.04 1.64 1.18 2oo6A1 LEU 172 HD13 -0.64 -0.01 -0.22 -0.04 0.93 0.01 2oo6A1 LEU 172 HD23 -0.14 -0.02 -0.39 -0.04 0.89 0.31 2oo6A1 HIS 173 H -0.16 0.41 0.30 -0.55 8.41 8.41 2oo6A1 HIS 173 HA 0.14 0.11 0.68 -0.75 4.63 4.81 2oo6A1 HIS 173 HB2 0.08 -0.03 0.08 -0.04 3.26 3.36 2oo6A1 HIS 173 HB3 0.07 0.13 -0.19 -0.04 3.20 3.16 2oo6A1 HIS 173 HD2 0.15 0.15 -0.16 -0.04 6.97 7.07 2oo6A1 HIS 173 HE1 0.05 0.09 -0.06 -0.04 7.75 7.78 2oo6A1 ALA 174 H 0.19 0.15 0.13 -0.55 8.40 8.33 2oo6A1 ALA 174 HA -0.53 0.14 0.65 -0.75 4.34 3.85 2oo6A1 ALA 174 HB3 -0.11 -0.00 0.04 -0.04 1.41 1.30 2oo6A1 TRP 175 H -0.12 0.54 0.23 -0.55 7.97 8.07 2oo6A1 TRP 175 HA -0.03 0.17 0.84 -0.75 4.62 4.85 2oo6A1 TRP 175 HB2 -0.12 -0.01 -0.07 -0.04 3.23 2.99 2oo6A1 TRP 175 HB3 -0.18 -0.04 0.06 -0.04 3.23 3.02 2oo6A1 TRP 175 HD1 -0.11 -0.04 0.02 -0.04 7.22 7.05 2oo6A1 TRP 175 HE1 -0.09 0.11 0.01 -0.04 10.20 10.19 2oo6A1 TRP 175 HE3 0.03 0.07 0.03 -0.04 7.59 7.68 2oo6A1 TRP 175 HZ2 -0.06 0.18 0.03 -0.04 7.44 7.55 2oo6A1 TRP 175 HZ3 0.03 0.01 -0.01 -0.04 7.13 7.11 2oo6A1 TRP 175 HH2 -0.03 -0.02 -0.01 -0.04 7.19 7.09 2oo6A1 ARG 176 H -0.39 0.65 0.21 -0.55 8.46 8.38 2oo6A1 ARG 176 HA -0.31 0.09 0.82 -0.75 4.34 4.19 2oo6A1 ARG 176 HB2 -0.02 0.22 0.07 -0.04 1.90 2.13 2oo6A1 ARG 176 HB3 0.07 -0.14 0.12 -0.04 1.80 1.81 2oo6A1 ARG 176 HG2 0.03 -0.05 -0.07 -0.04 1.67 1.54 2oo6A1 ARG 176 HG3 -0.08 -0.05 -0.59 -0.04 1.67 0.91 2oo6A1 ARG 176 HD2 0.14 -0.06 -0.07 -0.04 3.22 3.19 2oo6A1 ARG 176 HD3 0.06 0.03 -0.11 -0.04 3.22 3.15 2oo6A1 PRO 177 HA -0.36 0.25 0.12 -0.51 4.44 3.95 2oo6A1 PRO 177 HB2 -0.37 0.09 0.01 -0.04 2.28 1.97 2oo6A1 PRO 177 HB3 -0.78 0.03 0.06 -0.04 2.02 1.29 2oo6A1 PRO 177 HG2 -0.42 0.13 0.08 -0.04 2.03 1.78 2oo6A1 PRO 177 HG3 -0.90 0.06 0.04 -0.04 2.03 1.19 2oo6A1 PRO 177 HD2 -0.92 0.16 -0.09 -0.04 3.68 2.79 2oo6A1 PRO 177 HD3 -2.43 0.04 -0.07 -0.04 3.65 1.14 2oo6A1 GLY 178 H -0.35 0.09 -0.33 -0.55 8.43 7.30 2oo6A1 GLY 178 HA2 -0.15 0.14 0.40 -0.51 4.01 3.89 2oo6A1 GLY 178 HA3 -0.32 -0.01 0.05 -0.51 4.01 3.21 2oo6A1 PHE 179 H -0.17 0.37 -0.42 -0.55 8.34 7.57 2oo6A1 PHE 179 HA 0.00 0.21 0.87 -0.75 4.62 4.94 2oo6A1 PHE 179 HB2 0.06 0.05 0.06 -0.04 3.15 3.27 2oo6A1 PHE 179 HB3 0.08 0.03 0.17 -0.04 3.06 3.30 2oo6A1 PHE 179 HD2 0.08 0.14 -0.10 -0.04 7.28 7.36 2oo6A1 PHE 179 HE2 0.15 -0.00 -0.08 -0.04 7.38 7.41 2oo6A1 PHE 179 HZ 0.46 -0.07 -0.07 -0.04 7.32 7.60 2oo6A1 ALA 180 H -0.00 0.48 -0.37 -0.55 8.40 7.96 2oo6A1 ALA 180 HA 0.07 0.04 0.14 -0.75 4.34 3.84 2oo6A1 ALA 180 HB3 0.20 0.05 -0.09 -0.04 1.41 1.52 2oo6A1 VAL 181 H -0.02 0.35 -0.54 -0.55 8.24 7.49 2oo6A1 VAL 181 HA 0.02 0.10 0.67 -0.75 4.13 4.17 2oo6A1 VAL 181 HB 0.06 -0.07 0.05 -0.04 2.12 2.12 2oo6A1 VAL 181 HG13 0.05 -0.00 -0.05 -0.04 0.97 0.93 2oo6A1 VAL 181 HG23 0.09 0.07 -0.17 -0.04 0.95 0.90 2oo6A1 PRO 182 HA 0.02 0.17 0.19 -0.51 4.44 4.30 2oo6A1 PRO 182 HB2 0.03 0.08 -0.16 -0.04 2.28 2.19 2oo6A1 PRO 182 HB3 0.05 0.06 0.02 -0.04 2.02 2.11 2oo6A1 PRO 182 HG2 -0.29 -0.02 -0.14 -0.04 2.03 1.54 2oo6A1 PRO 182 HG3 0.13 0.04 -0.00 -0.04 2.03 2.16 2oo6A1 PRO 182 HD2 -0.92 -0.02 0.19 -0.04 3.68 2.89 2oo6A1 PRO 182 HD3 -0.12 0.17 0.24 -0.04 3.65 3.90 2oo6A1 PHE 183 H 0.16 0.17 0.01 -0.55 8.34 8.13 2oo6A1 PHE 183 HA -0.05 0.06 0.58 -0.75 4.62 4.45 2oo6A1 PHE 183 HB2 -0.01 0.13 0.15 -0.04 3.15 3.39 2oo6A1 PHE 183 HB3 -0.01 -0.03 0.22 -0.04 3.06 3.20 2oo6A1 PHE 183 HD2 -0.00 0.01 0.03 -0.04 7.28 7.28 2oo6A1 PHE 183 HE2 0.00 0.00 -0.00 -0.04 7.38 7.34 2oo6A1 PHE 183 HZ 0.00 -0.01 -0.00 -0.04 7.32 7.27 2oo6A1 GLN 184 H -0.33 0.34 -0.01 -0.55 8.47 7.92 2oo6A1 GLN 184 HA -0.28 0.14 0.59 -0.75 4.36 4.05 2oo6A1 GLN 184 HB2 -0.16 0.02 0.09 -0.04 2.15 2.06 2oo6A1 GLN 184 HB3 -0.05 -0.09 0.11 -0.04 2.02 1.95 2oo6A1 GLN 184 HG2 0.01 0.07 -0.01 -0.04 2.40 2.42 2oo6A1 GLN 184 HG3 -0.03 -0.04 -0.72 -0.04 2.39 1.56 2oo6A1 GLN 184 HE21 0.35 -0.03 -0.04 -0.04 6.97 7.21 2oo6A1 GLN 184 HE22 0.15 0.04 -0.09 -0.04 7.69 7.74 2oo6A1 PRO 185 HA -0.25 0.18 0.21 -0.51 4.44 4.07 2oo6A1 PRO 185 HB2 -0.15 0.06 0.03 -0.04 2.28 2.18 2oo6A1 PRO 185 HB3 -0.37 0.06 0.08 -0.04 2.02 1.75 2oo6A1 PRO 185 HG2 -0.22 0.01 0.00 -0.04 2.03 1.78 2oo6A1 PRO 185 HG3 -0.38 0.07 0.02 -0.04 2.03 1.70 2oo6A1 PRO 185 HD2 -0.47 0.10 0.08 -0.04 3.68 3.35 2oo6A1 PRO 185 HD3 -1.73 0.15 -0.08 -0.04 3.65 1.95 2oo6A1 ALA 186 H -0.14 0.06 -0.30 -0.55 8.40 7.48 2oo6A1 ALA 186 HA -0.06 0.13 0.54 -0.75 4.34 4.19 2oo6A1 ALA 186 HB3 -0.04 -0.01 0.04 -0.04 1.41 1.35 2oo6A1 LEU 187 H -0.10 0.45 -0.23 -0.55 8.37 7.94 2oo6A1 LEU 187 HA -0.06 0.09 0.23 -0.75 4.35 3.86 2oo6A1 LEU 187 HB2 -0.08 -0.00 -0.05 -0.04 1.64 1.47 2oo6A1 LEU 187 HB3 -0.10 0.04 -0.20 -0.04 1.64 1.34 2oo6A1 LEU 187 HG -0.08 0.19 -0.49 -0.04 1.64 1.22 2oo6A1 LEU 187 HD13 -0.04 0.02 -0.10 -0.04 0.93 0.76 2oo6A1 LEU 187 HD23 -0.16 0.02 -0.25 -0.04 0.89 0.46 2oo6A1 ASN 188 H 0.02 -0.02 -0.23 -0.55 8.53 7.75 2oo6A1 ASN 188 HA -0.01 0.04 0.47 -0.75 4.76 4.51 2oo6A1 ASN 188 HB2 0.03 -0.04 -0.01 -0.04 2.88 2.82 2oo6A1 ASN 188 HB3 0.00 0.04 -0.04 -0.04 2.79 2.75 2oo6A1 ASN 188 HD21 -0.01 0.03 -0.03 -0.04 7.03 6.97 2oo6A1 ASN 188 HD22 0.00 -0.02 -0.03 -0.04 7.74 7.65 2oo6A1 VAL 189 H -0.02 0.15 0.19 -0.55 8.24 8.01 2oo6A1 VAL 189 HA -0.02 0.12 0.84 -0.75 4.13 4.32 2oo6A1 VAL 189 HB -0.05 -0.04 0.20 -0.04 2.12 2.19 2oo6A1 VAL 189 HG13 -0.07 0.01 -0.10 -0.04 0.97 0.77 2oo6A1 VAL 189 HG23 -0.04 0.05 -0.04 -0.04 0.95 0.88 2oo6A1 ASP 190 H -0.16 0.08 0.11 -0.55 8.40 7.89 2oo6A1 ASP 190 HA -0.06 0.32 0.92 -0.75 4.63 5.06 2oo6A1 ASP 190 HB2 -0.06 -0.05 0.18 -0.04 2.71 2.74 2oo6A1 ASP 190 HB3 -0.05 0.11 -0.10 -0.04 2.70 2.62 2oo6A1 ARG 191 H -0.06 0.23 0.16 -0.55 8.46 8.23 2oo6A1 ARG 191 HA -0.06 0.14 0.36 -0.75 4.34 4.03 2oo6A1 ARG 191 HB2 -0.04 -0.01 0.17 -0.04 1.90 1.97 2oo6A1 ARG 191 HB3 -0.04 0.05 -0.02 -0.04 1.80 1.74 2oo6A1 ARG 191 HG2 -0.03 0.04 0.07 -0.04 1.67 1.71 2oo6A1 ARG 191 HG3 -0.03 0.01 0.08 -0.04 1.67 1.69 2oo6A1 ARG 191 HD2 -0.02 -0.01 0.02 -0.04 3.22 3.17 2oo6A1 ARG 191 HD3 -0.02 0.04 0.02 -0.04 3.22 3.22 2oo6A1 LYS 192 H -0.11 0.08 -0.17 -0.55 8.42 7.67 2oo6A1 LYS 192 HA -0.09 0.10 0.37 -0.75 4.32 3.94 2oo6A1 LYS 192 HB2 -0.10 0.05 0.07 -0.04 1.87 1.86 2oo6A1 LYS 192 HB3 -0.20 -0.04 0.05 -0.04 1.79 1.55 2oo6A1 LYS 192 HG2 -0.19 -0.01 -0.24 -0.04 1.46 0.98 2oo6A1 LYS 192 HG3 -0.08 0.01 -0.02 -0.04 1.46 1.33 2oo6A1 LYS 192 HD2 -0.13 -0.00 -0.05 -0.04 1.69 1.47 2oo6A1 LYS 192 HD3 -0.06 0.04 -0.09 -0.04 1.68 1.53 2oo6A1 LYS 192 HE2 -0.01 0.04 -0.06 -0.04 2.99 2.92 2oo6A1 LYS 192 HE3 -0.04 -0.04 -0.01 -0.04 2.99 2.86 2oo6A1 VAL 193 H -0.31 0.04 -0.19 -0.55 8.24 7.23 2oo6A1 VAL 193 HA -0.45 0.06 0.42 -0.75 4.13 3.41 2oo6A1 VAL 193 HB -0.31 0.03 0.14 -0.04 2.12 1.93 2oo6A1 VAL 193 HG13 -0.31 0.03 -0.09 -0.04 0.97 0.56 2oo6A1 VAL 193 HG23 -1.20 0.02 0.06 -0.04 0.95 -0.22 2oo6A1 LEU 194 H -0.14 0.39 -0.25 -0.55 8.37 7.83 2oo6A1 LEU 194 HA -0.08 0.05 0.32 -0.75 4.35 3.89 2oo6A1 LEU 194 HB2 -0.06 0.03 0.14 -0.04 1.64 1.72 2oo6A1 LEU 194 HB3 -0.03 0.03 0.00 -0.04 1.64 1.60 2oo6A1 LEU 194 HG -0.08 0.06 -0.10 -0.04 1.64 1.48 2oo6A1 LEU 194 HD13 -0.03 -0.01 -0.13 -0.04 0.93 0.72 2oo6A1 LEU 194 HD23 -0.03 0.00 -0.16 -0.04 0.89 0.66 2oo6A1 ARG 195 H -0.07 0.73 0.06 -0.55 8.46 8.63 2oo6A1 ARG 195 HA -0.01 0.04 0.47 -0.75 4.34 4.09 2oo6A1 ARG 195 HB2 -0.02 -0.01 0.12 -0.04 1.90 1.95 2oo6A1 ARG 195 HB3 -0.05 0.15 0.20 -0.04 1.80 2.06 2oo6A1 ARG 195 HG2 -0.02 -0.02 -0.16 -0.04 1.67 1.42 2oo6A1 ARG 195 HG3 -0.01 -0.02 0.00 -0.04 1.67 1.60 2oo6A1 ARG 195 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.17 2oo6A1 ARG 195 HD3 -0.02 0.00 -0.02 -0.04 3.22 3.14 2oo6A1 ASN 196 H -0.08 0.50 -0.20 -0.55 8.53 8.20 2oo6A1 ASN 196 HA 0.02 -0.04 0.50 -0.75 4.76 4.49 2oo6A1 ASN 196 HB2 -0.11 0.20 0.23 -0.04 2.88 3.16 2oo6A1 ASN 196 HB3 0.02 0.31 0.25 -0.04 2.79 3.33 2oo6A1 ASN 196 HD21 -0.04 -0.07 0.01 -0.04 7.03 6.89 2oo6A1 ASN 196 HD22 -0.11 0.49 0.09 -0.04 7.74 8.17 2oo6A1 LEU 197 H -0.07 0.62 0.04 -0.55 8.37 8.41 2oo6A1 LEU 197 HA -0.02 -0.03 0.59 -0.75 4.35 4.14 2oo6A1 LEU 197 HB2 -0.08 0.15 0.23 -0.04 1.64 1.90 2oo6A1 LEU 197 HB3 -0.11 0.01 -0.04 -0.04 1.64 1.46 2oo6A1 LEU 197 HG -0.09 -0.03 0.09 -0.04 1.64 1.57 2oo6A1 LEU 197 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.76 2oo6A1 LEU 197 HD23 -0.07 -0.01 0.01 -0.04 0.89 0.78 2oo6A1 ARG 198 H -0.04 0.58 -0.14 -0.55 8.46 8.31 2oo6A1 ARG 198 HA -0.10 0.03 0.42 -0.75 4.34 3.94 2oo6A1 ARG 198 HB2 0.05 0.05 0.09 -0.04 1.90 2.05 2oo6A1 ARG 198 HB3 0.03 0.10 0.20 -0.04 1.80 2.08 2oo6A1 ARG 198 HG2 0.10 -0.03 -0.17 -0.04 1.67 1.52 2oo6A1 ARG 198 HG3 0.30 -0.03 -0.00 -0.04 1.67 1.89 2oo6A1 ARG 198 HD2 0.06 -0.03 0.01 -0.04 3.22 3.22 2oo6A1 ARG 198 HD3 0.08 -0.03 -0.01 -0.04 3.22 3.22 2oo6A1 ALA 199 H 0.00 0.59 -0.03 -0.55 8.40 8.42 2oo6A1 ALA 199 HA -0.01 0.01 0.35 -0.75 4.34 3.93 2oo6A1 ALA 199 HB3 -0.06 0.00 0.14 -0.04 1.41 1.45 2oo6A1 HIS 200 H 0.07 0.64 -0.20 -0.55 8.41 8.37 2oo6A1 HIS 200 HA -0.21 -0.08 0.36 -0.75 4.63 3.95 2oo6A1 HIS 200 HB2 0.19 0.03 0.12 -0.04 3.26 3.56 2oo6A1 HIS 200 HB3 0.04 0.13 0.24 -0.04 3.20 3.57 2oo6A1 HIS 200 HD2 0.02 0.07 -0.17 -0.04 6.97 6.84 2oo6A1 HIS 200 HE1 -0.29 -0.04 -0.14 -0.04 7.75 7.24 2oo6A1 LEU 201 H 0.01 0.67 -0.00 -0.55 8.37 8.51 2oo6A1 LEU 201 HA -0.03 -0.01 0.42 -0.75 4.35 3.97 2oo6A1 LEU 201 HB2 -0.48 0.10 0.12 -0.04 1.64 1.34 2oo6A1 LEU 201 HB3 -0.29 -0.01 0.00 -0.04 1.64 1.31 2oo6A1 LEU 201 HG -0.03 0.00 0.08 -0.04 1.64 1.65 2oo6A1 LEU 201 HD13 -0.40 -0.00 -0.10 -0.04 0.93 0.39 2oo6A1 LEU 201 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.72 2oo6A1 GLU 202 H 0.10 0.71 -0.10 -0.55 8.60 8.76 2oo6A1 GLU 202 HA 0.17 0.04 0.51 -0.75 4.29 4.26 2oo6A1 GLU 202 HB2 0.05 0.08 0.14 -0.04 2.09 2.33 2oo6A1 GLU 202 HB3 0.03 -0.06 0.01 -0.04 1.99 1.93 2oo6A1 GLU 202 HG2 0.09 -0.02 0.03 -0.04 2.34 2.39 2oo6A1 GLU 202 HG3 0.48 0.12 0.07 -0.04 2.34 2.98 2oo6A1 ALA 203 H -0.08 0.52 -0.13 -0.55 8.40 8.17 2oo6A1 ALA 203 HA -0.08 -0.01 0.44 -0.75 4.34 3.94 2oo6A1 ALA 203 HB3 -0.18 0.04 0.15 -0.04 1.41 1.38 2oo6A1 LEU 204 H -0.17 0.54 -0.10 -0.55 8.37 8.09 2oo6A1 LEU 204 HA -0.15 0.01 0.36 -0.75 4.35 3.80 2oo6A1 LEU 204 HB2 -0.24 0.08 0.11 -0.04 1.64 1.55 2oo6A1 LEU 204 HB3 -0.09 0.11 0.09 -0.04 1.64 1.71 2oo6A1 LEU 204 HG -0.14 0.02 -0.08 -0.04 1.64 1.40 2oo6A1 LEU 204 HD13 -0.23 -0.01 -0.04 -0.04 0.93 0.61 2oo6A1 LEU 204 HD23 -0.08 0.00 -0.04 -0.04 0.89 0.72 2oo6A1 ARG 205 H -0.00 0.73 -0.03 -0.55 8.46 8.61 2oo6A1 ARG 205 HA -0.02 0.11 0.45 -0.75 4.34 4.13 2oo6A1 ARG 205 HB2 0.09 0.01 0.13 -0.04 1.90 2.09 2oo6A1 ARG 205 HB3 0.05 0.05 0.16 -0.04 1.80 2.01 2oo6A1 ARG 205 HG2 -0.01 -0.04 0.00 -0.04 1.67 1.58 2oo6A1 ARG 205 HG3 -0.02 -0.05 -0.20 -0.04 1.67 1.36 2oo6A1 ARG 205 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2oo6A1 ARG 205 HD3 -0.01 0.03 0.16 -0.04 3.22 3.36 2oo6A1 ASP 206 H -0.03 0.49 -0.22 -0.55 8.40 8.10 2oo6A1 ASP 206 HA -0.03 0.00 0.40 -0.75 4.63 4.24 2oo6A1 ASP 206 HB2 -0.05 0.00 0.23 -0.04 2.71 2.85 2oo6A1 ASP 206 HB3 -0.04 0.00 0.01 -0.04 2.70 2.63 2oo6A1 GLY 207 H -0.06 0.45 -0.10 -0.55 8.43 8.17 2oo6A1 GLY 207 HA2 -0.04 -0.00 0.50 -0.51 4.01 3.95 2oo6A1 GLY 207 HA3 -0.07 0.12 0.38 -0.51 4.01 3.93 2oo6A1 ALA 208 H -0.06 0.50 -0.11 -0.55 8.40 8.19 2oo6A1 ALA 208 HA -0.05 0.02 0.23 -0.75 4.34 3.79 2oo6A1 ALA 208 HB3 -0.06 -0.01 0.04 -0.04 1.41 1.34 2oo6A1 GLY 209 H -0.03 0.28 -0.35 -0.55 8.43 7.78 2oo6A1 GLY 209 HA2 -0.02 0.00 0.30 -0.51 4.01 3.79 2oo6A1 GLY 209 HA3 -0.02 0.05 0.65 -0.51 4.01 4.19 2oo6A1 PRO 210 HA -0.01 0.21 0.47 -0.51 4.44 4.60 2oo6A1 PRO 210 HB2 -0.01 0.03 0.04 -0.04 2.28 2.30 2oo6A1 PRO 210 HB3 -0.01 -0.01 0.04 -0.04 2.02 1.99 2oo6A1 PRO 210 HG2 -0.01 0.05 -0.00 -0.04 2.03 2.03 2oo6A1 PRO 210 HG3 -0.01 0.00 0.06 -0.04 2.03 2.04 2oo6A1 PRO 210 HD2 -0.01 0.07 0.21 -0.04 3.68 3.91 2oo6A1 PRO 210 HD3 -0.01 0.09 0.23 -0.04 3.65 3.91 2oo6A1 ASP 211 H -0.01 0.14 -0.08 -0.55 8.40 7.90 2oo6A1 ASP 211 HA 0.00 0.18 0.75 -0.75 4.63 4.81 2oo6A1 ASP 211 HB2 -0.00 0.03 0.02 -0.04 2.71 2.72 2oo6A1 ASP 211 HB3 0.00 0.00 0.14 -0.04 2.70 2.81 2oo6A1 VAL 212 H -0.01 0.19 -0.32 -0.55 8.24 7.55 2oo6A1 VAL 212 HA -0.01 0.27 0.85 -0.75 4.13 4.48 2oo6A1 VAL 212 HB -0.03 0.06 0.03 -0.04 2.12 2.14 2oo6A1 VAL 212 HG13 -0.05 -0.04 -0.34 -0.04 0.97 0.49 2oo6A1 VAL 212 HG23 0.01 0.00 -0.07 -0.04 0.95 0.85 2oo6A1 GLU 213 H -0.06 0.67 0.26 -0.55 8.60 8.93 2oo6A1 GLU 213 HA -0.01 0.13 0.54 -0.75 4.29 4.19 2oo6A1 GLU 213 HB2 -0.24 -0.06 0.15 -0.04 2.09 1.90 2oo6A1 GLU 213 HB3 0.00 -0.09 -0.00 -0.04 1.99 1.85 2oo6A1 GLU 213 HG2 0.04 0.09 -0.02 -0.04 2.34 2.40 2oo6A1 GLU 213 HG3 0.14 -0.01 0.00 -0.04 2.34 2.44 2oo6A1 ILE 214 H -0.05 0.25 0.25 -0.55 8.25 8.15 2oo6A1 ILE 214 HA -0.19 0.22 1.06 -0.75 4.18 4.52 2oo6A1 ILE 214 HB -0.05 0.09 0.18 -0.04 1.89 2.07 2oo6A1 ILE 214 HG12 -0.11 -0.02 -0.13 -0.04 1.49 1.20 2oo6A1 ILE 214 HG13 -0.06 0.13 -0.28 -0.04 1.21 0.96 2oo6A1 ILE 214 HG23 -0.10 -0.03 -0.16 -0.04 0.93 0.59 2oo6A1 ILE 214 HD13 -0.03 -0.01 -0.14 -0.04 0.88 0.67 2oo6A1 LEU 215 H -0.32 0.73 0.48 -0.55 8.37 8.71 2oo6A1 LEU 215 HA -0.33 0.11 0.91 -0.75 4.35 4.29 2oo6A1 LEU 215 HB2 -0.69 -0.02 0.09 -0.04 1.64 0.98 2oo6A1 LEU 215 HB3 -0.81 -0.05 -0.09 -0.04 1.64 0.65 2oo6A1 LEU 215 HG -1.19 -0.01 -0.15 -0.04 1.64 0.24 2oo6A1 LEU 215 HD13 -1.08 -0.01 -0.35 -0.04 0.93 -0.55 2oo6A1 LEU 215 HD23 -2.60 -0.01 -0.24 -0.04 0.89 -2.01 2oo6A1 LEU 216 H -0.02 0.66 0.30 -0.55 8.37 8.77 2oo6A1 LEU 216 HA -0.06 0.17 0.96 -0.75 4.35 4.67 2oo6A1 LEU 216 HB2 -0.10 0.05 -0.09 -0.04 1.64 1.46 2oo6A1 LEU 216 HB3 -0.05 0.05 0.17 -0.04 1.64 1.77 2oo6A1 LEU 216 HG -0.02 -0.09 -0.36 -0.04 1.64 1.13 2oo6A1 LEU 216 HD13 -0.04 -0.00 -0.13 -0.04 0.93 0.71 2oo6A1 LEU 216 HD23 -0.09 0.00 -0.11 -0.04 0.89 0.66 2oo6A1 ASP 217 H -0.02 0.73 0.30 -0.55 8.40 8.87 2oo6A1 ASP 217 HA 0.03 0.06 0.96 -0.75 4.63 4.93 2oo6A1 ASP 217 HB2 0.02 0.00 -0.05 -0.04 2.71 2.64 2oo6A1 ASP 217 HB3 -0.01 0.03 0.11 -0.04 2.70 2.79 2oo6A1 LEU 218 H -0.03 0.81 0.35 -0.55 8.37 8.95 2oo6A1 LEU 218 HA 0.03 0.13 0.77 -0.75 4.35 4.53 2oo6A1 LEU 218 HB2 0.07 0.14 0.09 -0.04 1.64 1.89 2oo6A1 LEU 218 HB3 0.23 -0.08 0.05 -0.04 1.64 1.81 2oo6A1 LEU 218 HG 0.03 0.02 -0.16 -0.04 1.64 1.49 2oo6A1 LEU 218 HD13 0.16 0.01 -0.11 -0.04 0.93 0.95 2oo6A1 LEU 218 HD23 0.04 0.01 -0.20 -0.04 0.89 0.70 2oo6A1 ASN 219 H -0.07 0.05 -0.05 -0.55 8.53 7.92 2oo6A1 ASN 219 HA -0.15 -0.03 0.27 -0.75 4.76 4.10 2oo6A1 ASN 219 HB2 -0.08 0.14 -0.12 -0.04 2.88 2.78 2oo6A1 ASN 219 HB3 0.05 -0.04 0.13 -0.04 2.79 2.90 2oo6A1 ASN 219 HD21 0.12 0.01 -0.08 -0.04 7.03 7.03 2oo6A1 ASN 219 HD22 0.29 -0.01 -0.05 -0.04 7.74 7.92 2oo6A1 PHE 220 H -0.11 0.12 0.13 -0.55 8.34 7.92 2oo6A1 PHE 220 HA -0.02 0.34 0.88 -0.75 4.62 5.07 2oo6A1 PHE 220 HB2 -0.36 -0.02 0.09 -0.04 3.15 2.82 2oo6A1 PHE 220 HB3 -0.13 0.08 0.25 -0.04 3.06 3.22 2oo6A1 PHE 220 HD2 -0.04 0.02 -0.05 -0.04 7.28 7.17 2oo6A1 PHE 220 HE2 -0.53 -0.04 -0.17 -0.04 7.38 6.60 2oo6A1 PHE 220 HZ -0.12 -0.02 -0.11 -0.04 7.32 7.03 2oo6A1 ASN 221 H 0.04 0.59 -0.19 -0.55 8.53 8.43 2oo6A1 ASN 221 HA -0.16 -0.02 0.39 -0.75 4.76 4.22 2oo6A1 ASN 221 HB2 0.00 0.21 0.16 -0.04 2.88 3.21 2oo6A1 ASN 221 HB3 -0.09 -0.01 0.17 -0.04 2.79 2.81 2oo6A1 ASN 221 HD21 -0.15 -0.10 -0.01 -0.04 7.03 6.73 2oo6A1 ASN 221 HD22 -0.06 0.12 -0.02 -0.04 7.74 7.75 2oo6A1 ALA 222 H -0.12 0.18 -0.30 -0.55 8.40 7.61 2oo6A1 ALA 222 HA -0.21 0.33 0.55 -0.75 4.34 4.26 2oo6A1 ALA 222 HB3 -0.85 -0.04 -0.06 -0.04 1.41 0.42 2oo6A1 LYS 223 H -0.23 0.15 0.20 -0.55 8.42 7.99 2oo6A1 LYS 223 HA 0.02 0.25 0.81 -0.75 4.32 4.65 2oo6A1 LYS 223 HB2 -0.05 -0.17 0.08 -0.04 1.87 1.69 2oo6A1 LYS 223 HB3 0.00 0.02 0.17 -0.04 1.79 1.94 2oo6A1 LYS 223 HG2 -0.06 0.12 0.00 -0.04 1.46 1.48 2oo6A1 LYS 223 HG3 -0.03 -0.00 0.05 -0.04 1.46 1.44 2oo6A1 LYS 223 HD2 0.02 -0.07 0.05 -0.04 1.69 1.64 2oo6A1 LYS 223 HD3 -0.01 0.08 -0.15 -0.04 1.68 1.56 2oo6A1 LYS 223 HE2 -0.00 -0.02 -0.04 -0.04 2.99 2.89 2oo6A1 LYS 223 HE3 -0.04 0.18 -0.20 -0.04 2.99 2.89 2oo6A1 PRO 224 HA 0.34 0.09 0.36 -0.51 4.44 4.72 2oo6A1 PRO 224 HB2 0.05 -0.01 0.08 -0.04 2.28 2.36 2oo6A1 PRO 224 HB3 0.13 0.16 0.06 -0.04 2.02 2.33 2oo6A1 PRO 224 HG2 0.08 0.02 0.08 -0.04 2.03 2.17 2oo6A1 PRO 224 HG3 0.16 0.06 -0.03 -0.04 2.03 2.17 2oo6A1 PRO 224 HD2 0.07 0.12 0.21 -0.04 3.68 4.04 2oo6A1 PRO 224 HD3 0.17 0.18 0.16 -0.04 3.65 4.13 2oo6A1 GLU 225 H 0.01 0.11 -0.23 -0.55 8.60 7.94 2oo6A1 GLU 225 HA 0.01 0.11 0.38 -0.75 4.29 4.04 2oo6A1 GLU 225 HB2 -0.02 0.04 0.08 -0.04 2.09 2.15 2oo6A1 GLU 225 HB3 -0.03 -0.06 0.06 -0.04 1.99 1.91 2oo6A1 GLU 225 HG2 -0.02 -0.00 -0.35 -0.04 2.34 1.93 2oo6A1 GLU 225 HG3 -0.02 0.04 0.01 -0.04 2.34 2.33 2oo6A1 GLY 226 H -0.09 0.23 -0.12 -0.55 8.43 7.91 2oo6A1 GLY 226 HA2 -0.05 0.04 0.50 -0.51 4.01 3.98 2oo6A1 GLY 226 HA3 -0.15 0.05 0.36 -0.51 4.01 3.76 2oo6A1 TYR 227 H -0.08 0.45 -0.15 -0.55 8.29 7.96 2oo6A1 TYR 227 HA 0.01 0.02 0.39 -0.75 4.56 4.23 2oo6A1 TYR 227 HB2 0.03 0.07 0.04 -0.04 3.06 3.15 2oo6A1 TYR 227 HB3 0.02 0.04 -0.06 -0.04 2.98 2.94 2oo6A1 TYR 227 HD2 -0.00 -0.04 -0.29 -0.04 7.15 6.78 2oo6A1 TYR 227 HE2 -0.04 0.01 -0.19 -0.04 6.85 6.59 2oo6A1 LEU 228 H 0.13 0.53 -0.18 -0.55 8.37 8.31 2oo6A1 LEU 228 HA 0.10 0.11 0.34 -0.75 4.35 4.15 2oo6A1 LEU 228 HB2 0.07 0.10 0.15 -0.04 1.64 1.91 2oo6A1 LEU 228 HB3 0.06 -0.01 -0.02 -0.04 1.64 1.63 2oo6A1 LEU 228 HG 0.16 -0.04 0.02 -0.04 1.64 1.75 2oo6A1 LEU 228 HD13 0.17 -0.03 -0.11 -0.04 0.93 0.92 2oo6A1 LEU 228 HD23 0.07 0.04 -0.02 -0.04 0.89 0.94 2oo6A1 LYS 229 H 0.03 0.36 -0.19 -0.55 8.42 8.07 2oo6A1 LYS 229 HA 0.02 0.03 0.45 -0.75 4.32 4.07 2oo6A1 LYS 229 HB2 -0.01 0.07 0.19 -0.04 1.87 2.08 2oo6A1 LYS 229 HB3 -0.01 -0.07 0.00 -0.04 1.79 1.68 2oo6A1 LYS 229 HG2 -0.00 -0.04 0.04 -0.04 1.46 1.42 2oo6A1 LYS 229 HG3 0.00 0.12 0.10 -0.04 1.46 1.64 2oo6A1 LYS 229 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2oo6A1 LYS 229 HD3 -0.02 -0.07 -0.02 -0.04 1.68 1.52 2oo6A1 LYS 229 HE2 -0.03 0.14 0.09 -0.04 2.99 3.15 2oo6A1 LYS 229 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.86 2oo6A1 ILE 230 H 0.04 0.52 -0.23 -0.55 8.25 8.03 2oo6A1 ILE 230 HA 0.01 -0.05 0.38 -0.75 4.18 3.78 2oo6A1 ILE 230 HB 0.10 0.16 0.16 -0.04 1.89 2.27 2oo6A1 ILE 230 HG12 -0.01 -0.07 -0.04 -0.04 1.49 1.33 2oo6A1 ILE 230 HG13 -0.01 0.01 0.01 -0.04 1.21 1.18 2oo6A1 ILE 230 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 2oo6A1 ILE 230 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 2oo6A1 LEU 231 H 0.09 0.59 -0.09 -0.55 8.37 8.41 2oo6A1 LEU 231 HA 0.16 0.00 0.25 -0.75 4.35 4.01 2oo6A1 LEU 231 HB2 0.09 0.09 0.13 -0.04 1.64 1.90 2oo6A1 LEU 231 HB3 0.09 0.04 0.03 -0.04 1.64 1.75 2oo6A1 LEU 231 HG 0.12 0.11 0.01 -0.04 1.64 1.83 2oo6A1 LEU 231 HD13 0.08 -0.02 -0.15 -0.04 0.93 0.79 2oo6A1 LEU 231 HD23 0.18 -0.03 -0.07 -0.04 0.89 0.92 2oo6A1 ARG 232 H 0.06 0.57 -0.15 -0.55 8.46 8.38 2oo6A1 ARG 232 HA 0.04 0.07 0.48 -0.75 4.34 4.18 2oo6A1 ARG 232 HB2 0.03 0.04 0.16 -0.04 1.90 2.10 2oo6A1 ARG 232 HB3 0.03 -0.08 0.03 -0.04 1.80 1.74 2oo6A1 ARG 232 HG2 0.03 -0.02 0.05 -0.04 1.67 1.69 2oo6A1 ARG 232 HG3 0.05 0.08 0.07 -0.04 1.67 1.82 2oo6A1 ARG 232 HD2 0.03 -0.02 -0.14 -0.04 3.22 3.05 2oo6A1 ARG 232 HD3 0.02 -0.09 -0.02 -0.04 3.22 3.10 2oo6A1 GLU 233 H 0.05 0.57 -0.11 -0.55 8.60 8.56 2oo6A1 GLU 233 HA 0.05 -0.02 0.46 -0.75 4.29 4.03 2oo6A1 GLU 233 HB2 0.02 -0.05 0.12 -0.04 2.09 2.14 2oo6A1 GLU 233 HB3 0.03 0.17 0.18 -0.04 1.99 2.33 2oo6A1 GLU 233 HG2 0.00 -0.08 -0.02 -0.04 2.34 2.20 2oo6A1 GLU 233 HG3 0.05 0.01 -0.20 -0.04 2.34 2.16 2oo6A1 LEU 234 H 0.11 0.45 -0.44 -0.55 8.37 7.94 2oo6A1 LEU 234 HA 0.31 0.04 0.46 -0.75 4.35 4.41 2oo6A1 LEU 234 HB2 0.11 0.13 0.02 -0.04 1.64 1.87 2oo6A1 LEU 234 HB3 -0.00 -0.08 0.10 -0.04 1.64 1.62 2oo6A1 LEU 234 HG -0.02 0.08 -0.06 -0.04 1.64 1.59 2oo6A1 LEU 234 HD13 -0.16 -0.03 -0.11 -0.04 0.93 0.59 2oo6A1 LEU 234 HD23 -0.37 -0.01 -0.18 -0.04 0.89 0.29 2oo6A1 ALA 235 H 0.14 0.35 -0.57 -0.55 8.40 7.78 2oo6A1 ALA 235 HA 0.03 0.12 0.29 -0.75 4.34 4.03 2oo6A1 ALA 235 HB3 0.02 -0.01 0.13 -0.04 1.41 1.51 2oo6A1 ASP 236 H 0.16 0.06 -0.33 -0.55 8.40 7.74 2oo6A1 ASP 236 HA 0.02 0.00 0.45 -0.75 4.63 4.35 2oo6A1 ASP 236 HB2 -0.10 -0.03 0.04 -0.04 2.71 2.58 2oo6A1 ASP 236 HB3 -0.01 0.00 0.04 -0.04 2.70 2.68 2oo6A1 PHE 237 H 0.41 0.38 -0.31 -0.55 8.34 8.27 2oo6A1 PHE 237 HA 0.03 0.04 0.63 -0.75 4.62 4.57 2oo6A1 PHE 237 HB2 0.02 0.22 0.05 -0.04 3.15 3.41 2oo6A1 PHE 237 HB3 -0.04 0.00 -0.15 -0.04 3.06 2.84 2oo6A1 PHE 237 HD2 0.01 0.02 -0.04 -0.04 7.28 7.22 2oo6A1 PHE 237 HE2 -0.01 -0.00 -0.18 -0.04 7.38 7.14 2oo6A1 PHE 237 HZ -0.01 -0.00 0.01 -0.04 7.32 7.27 2oo6A1 ASP 238 H 0.12 0.12 0.10 -0.55 8.40 8.20 2oo6A1 ASP 238 HA 0.13 0.22 0.84 -0.75 4.63 5.06 2oo6A1 ASP 238 HB2 0.04 0.03 0.05 -0.04 2.71 2.79 2oo6A1 ASP 238 HB3 0.04 -0.04 0.21 -0.04 2.70 2.87 2oo6A1 LEU 239 H 0.09 0.34 0.05 -0.55 8.37 8.31 2oo6A1 LEU 239 HA -0.02 0.20 0.96 -0.75 4.35 4.73 2oo6A1 LEU 239 HB2 -0.40 0.03 -0.06 -0.04 1.64 1.17 2oo6A1 LEU 239 HB3 -0.14 0.02 -0.08 -0.04 1.64 1.40 2oo6A1 LEU 239 HG -0.16 -0.05 -0.50 -0.04 1.64 0.89 2oo6A1 LEU 239 HD13 -0.54 -0.01 -0.13 -0.04 0.93 0.21 2oo6A1 LEU 239 HD23 -0.11 0.01 -0.18 -0.04 0.89 0.57 2oo6A1 PHE 240 H 0.06 0.50 0.25 -0.55 8.34 8.60 2oo6A1 PHE 240 HA -0.05 0.08 0.41 -0.75 4.62 4.31 2oo6A1 PHE 240 HB2 -0.20 -0.04 -0.01 -0.04 3.15 2.86 2oo6A1 PHE 240 HB3 -0.41 -0.09 -0.11 -0.04 3.06 2.41 2oo6A1 PHE 240 HD2 -0.46 -0.03 -0.24 -0.04 7.28 6.52 2oo6A1 PHE 240 HE2 -0.15 -0.01 -0.16 -0.04 7.38 7.02 2oo6A1 PHE 240 HZ -0.02 0.11 -0.17 -0.04 7.32 7.19 2oo6A1 TRP 241 H 0.03 0.15 0.09 -0.55 7.97 7.70 2oo6A1 TRP 241 HA -0.04 0.34 0.09 -0.75 4.62 4.26 2oo6A1 TRP 241 HB2 -0.04 -0.00 -0.13 -0.04 3.23 3.01 2oo6A1 TRP 241 HB3 -0.02 0.19 -0.07 -0.04 3.23 3.28 2oo6A1 TRP 241 HD1 -0.10 0.01 -0.72 -0.04 7.22 6.38 2oo6A1 TRP 241 HE1 -0.18 -0.10 -0.25 -0.04 10.20 9.63 2oo6A1 TRP 241 HE3 0.13 0.15 -0.25 -0.04 7.59 7.56 2oo6A1 TRP 241 HZ2 -0.11 -0.09 -0.21 -0.04 7.44 6.99 2oo6A1 TRP 241 HZ3 0.21 0.06 -0.27 -0.04 7.13 7.08 2oo6A1 TRP 241 HH2 0.16 0.00 -0.24 -0.04 7.19 7.07 2oo6A1 VAL 242 H 0.18 0.81 0.25 -0.55 8.24 8.93 2oo6A1 VAL 242 HA 0.14 0.19 0.87 -0.75 4.13 4.57 2oo6A1 VAL 242 HB 0.06 0.08 0.10 -0.04 2.12 2.32 2oo6A1 VAL 242 HG13 0.01 -0.02 -0.15 -0.04 0.97 0.77 2oo6A1 VAL 242 HG23 -0.05 0.01 -0.13 -0.04 0.95 0.75 2oo6A1 GLU 243 H 0.09 0.72 0.37 -0.55 8.60 9.22 2oo6A1 GLU 243 HA -0.34 0.29 0.76 -0.75 4.29 4.25 2oo6A1 GLU 243 HB2 0.07 0.05 -0.10 -0.04 2.09 2.07 2oo6A1 GLU 243 HB3 0.01 -0.18 0.20 -0.04 1.99 1.97 2oo6A1 GLU 243 HG2 -0.25 -0.12 -0.25 -0.04 2.34 1.69 2oo6A1 GLU 243 HG3 -0.44 0.07 -0.27 -0.04 2.34 1.65 2oo6A1 ILE 244 H -0.33 0.75 0.33 -0.55 8.25 8.45 2oo6A1 ILE 244 HA -0.37 0.13 0.90 -0.75 4.18 4.08 2oo6A1 ILE 244 HB -0.40 0.08 0.10 -0.04 1.89 1.62 2oo6A1 ILE 244 HG12 -0.55 -0.02 -0.16 -0.04 1.49 0.72 2oo6A1 ILE 244 HG13 -0.25 -0.07 -0.66 -0.04 1.21 0.19 2oo6A1 ILE 244 HG23 -1.09 -0.02 -0.23 -0.04 0.93 -0.45 2oo6A1 ILE 244 HD13 -0.28 0.02 -0.12 -0.04 0.88 0.45 2oo6A1 ASP 245 H -0.50 0.50 0.13 -0.55 8.40 7.98 2oo6A1 ASP 245 HA -0.58 -0.01 0.89 -0.75 4.63 4.18 2oo6A1 ASP 245 HB2 -1.88 0.03 -0.19 -0.04 2.71 0.63 2oo6A1 ASP 245 HB3 -1.61 0.00 -0.05 -0.04 2.70 1.00 2oo6A1 SER 246 H -0.40 0.23 0.19 -0.55 8.46 7.93 2oo6A1 SER 246 HA -0.08 0.13 0.67 -0.75 4.49 4.46 2oo6A1 SER 246 HB2 -0.09 0.17 -0.26 -0.04 3.95 3.73 2oo6A1 SER 246 HB3 -0.01 0.06 -0.09 -0.04 3.93 3.86 2oo6A1 TYR 247 H 0.11 0.22 0.12 -0.55 8.29 8.19 2oo6A1 TYR 247 HA 0.36 0.22 0.86 -0.75 4.56 5.25 2oo6A1 TYR 247 HB2 0.16 0.03 0.11 -0.04 3.06 3.32 2oo6A1 TYR 247 HB3 0.16 0.05 0.22 -0.04 2.98 3.36 2oo6A1 TYR 247 HD2 0.18 0.07 -0.02 -0.04 7.15 7.34 2oo6A1 TYR 247 HE2 0.08 0.01 -0.07 -0.04 6.85 6.83 2oo6A1 SER 248 H 0.21 0.07 -0.26 -0.55 8.46 7.93 2oo6A1 SER 248 HA 0.05 0.32 0.93 -0.75 4.49 5.04 2oo6A1 SER 248 HB2 0.09 0.12 0.04 -0.04 3.95 4.17 2oo6A1 SER 248 HB3 0.10 -0.02 0.19 -0.04 3.93 4.16 2oo6A1 PRO 249 HA -0.39 0.11 0.38 -0.51 4.44 4.03 2oo6A1 PRO 249 HB2 -0.28 0.07 -0.07 -0.04 2.28 1.96 2oo6A1 PRO 249 HB3 -0.77 0.09 -0.30 -0.04 2.02 1.00 2oo6A1 PRO 249 HG2 -0.32 0.08 0.02 -0.04 2.03 1.77 2oo6A1 PRO 249 HG3 -1.03 0.08 -0.05 -0.04 2.03 1.00 2oo6A1 PRO 249 HD2 -0.13 0.10 0.18 -0.04 3.68 3.79 2oo6A1 PRO 249 HD3 -0.17 0.28 -0.25 -0.04 3.65 3.46 2oo6A1 GLN 250 H -0.07 0.13 -0.11 -0.55 8.47 7.87 2oo6A1 GLN 250 HA 0.02 0.22 0.51 -0.75 4.36 4.35 2oo6A1 GLN 250 HB2 0.00 0.00 0.06 -0.04 2.15 2.17 2oo6A1 GLN 250 HB3 0.03 0.00 0.03 -0.04 2.02 2.04 2oo6A1 GLN 250 HG2 -0.03 -0.05 0.02 -0.04 2.40 2.30 2oo6A1 GLN 250 HG3 0.00 0.02 0.02 -0.04 2.39 2.39 2oo6A1 GLN 250 HE21 0.01 0.10 -0.04 -0.04 6.97 7.00 2oo6A1 GLN 250 HE22 -0.01 -0.04 -0.04 -0.04 7.69 7.56 2oo6A1 GLY 251 H 0.04 0.04 -0.31 -0.55 8.43 7.65 2oo6A1 GLY 251 HA2 0.09 0.11 0.45 -0.51 4.01 4.15 2oo6A1 GLY 251 HA3 0.08 0.00 0.30 -0.51 4.01 3.88 2oo6A1 LEU 252 H 0.09 0.67 0.01 -0.55 8.37 8.60 2oo6A1 LEU 252 HA 0.04 0.00 0.50 -0.75 4.35 4.14 2oo6A1 LEU 252 HB2 0.08 -0.12 0.04 -0.04 1.64 1.60 2oo6A1 LEU 252 HB3 0.18 0.04 0.09 -0.04 1.64 1.92 2oo6A1 LEU 252 HG 0.04 0.25 -0.15 -0.04 1.64 1.73 2oo6A1 LEU 252 HD13 -0.15 -0.03 0.02 -0.04 0.93 0.73 2oo6A1 LEU 252 HD23 -0.02 -0.03 -0.08 -0.04 0.89 0.72 2oo6A1 ALA 253 H 0.08 0.46 -0.21 -0.55 8.40 8.18 2oo6A1 ALA 253 HA 0.05 0.15 0.36 -0.75 4.34 4.14 2oo6A1 ALA 253 HB3 0.05 0.02 0.01 -0.04 1.41 1.46 2oo6A1 TYR 254 H 0.20 0.32 -0.26 -0.55 8.29 8.00 2oo6A1 TYR 254 HA 0.11 0.06 0.43 -0.75 4.56 4.41 2oo6A1 TYR 254 HB2 0.05 0.04 0.14 -0.04 3.06 3.25 2oo6A1 TYR 254 HB3 0.06 0.04 0.14 -0.04 2.98 3.17 2oo6A1 TYR 254 HD2 0.05 0.01 -0.15 -0.04 7.15 7.01 2oo6A1 TYR 254 HE2 -0.10 -0.01 -0.05 -0.04 6.85 6.65 2oo6A1 VAL 255 H 0.19 0.41 -0.17 -0.55 8.24 8.12 2oo6A1 VAL 255 HA 0.16 -0.02 0.36 -0.75 4.13 3.87 2oo6A1 VAL 255 HB 0.05 0.16 0.22 -0.04 2.12 2.52 2oo6A1 VAL 255 HG13 0.03 -0.02 -0.18 -0.04 0.97 0.77 2oo6A1 VAL 255 HG23 0.20 -0.01 0.05 -0.04 0.95 1.15 2oo6A1 ARG 256 H 0.02 0.66 -0.02 -0.55 8.46 8.57 2oo6A1 ARG 256 HA -0.02 -0.03 0.29 -0.75 4.34 3.82 2oo6A1 ARG 256 HB2 -0.02 0.04 0.13 -0.04 1.90 2.01 2oo6A1 ARG 256 HB3 -0.01 0.13 0.14 -0.04 1.80 2.01 2oo6A1 ARG 256 HG2 -0.04 0.03 -0.17 -0.04 1.67 1.44 2oo6A1 ARG 256 HG3 -0.03 -0.15 0.05 -0.04 1.67 1.49 2oo6A1 ARG 256 HD2 -0.02 -0.07 -0.64 -0.04 3.22 2.46 2oo6A1 ARG 256 HD3 -0.02 0.29 -0.15 -0.04 3.22 3.30 2oo6A1 ASN 257 H -0.07 0.56 -0.24 -0.55 8.53 8.23 2oo6A1 ASN 257 HA -0.16 0.02 0.35 -0.75 4.76 4.22 2oo6A1 ASN 257 HB2 -0.14 0.14 0.17 -0.04 2.88 3.01 2oo6A1 ASN 257 HB3 -0.37 0.01 0.09 -0.04 2.79 2.48 2oo6A1 ASN 257 HD21 -0.18 -0.07 0.01 -0.04 7.03 6.75 2oo6A1 ASN 257 HD22 -0.27 -0.04 -0.01 -0.04 7.74 7.39 2oo6A1 HIS 258 H -0.04 0.39 -0.50 -0.55 8.41 7.72 2oo6A1 HIS 258 HA -0.10 0.13 0.82 -0.75 4.63 4.72 2oo6A1 HIS 258 HB2 -0.10 0.04 0.09 -0.04 3.26 3.25 2oo6A1 HIS 258 HB3 -0.06 -0.11 0.17 -0.04 3.20 3.17 2oo6A1 HIS 258 HD2 -0.07 -0.03 -0.00 -0.04 6.97 6.82 2oo6A1 HIS 258 HE1 -0.89 -0.07 -0.03 -0.04 7.75 6.72 2oo6A1 SER 259 H -0.05 0.66 -0.20 -0.55 8.46 8.32 2oo6A1 SER 259 HA -0.00 0.07 0.73 -0.75 4.49 4.54 2oo6A1 SER 259 HB2 0.02 -0.06 -0.01 -0.04 3.95 3.86 2oo6A1 SER 259 HB3 -0.02 0.16 0.20 -0.04 3.93 4.23 2oo6A1 PRO 260 HA -0.13 0.16 0.74 -0.51 4.44 4.70 2oo6A1 PRO 260 HB2 -0.27 0.07 0.15 -0.04 2.28 2.18 2oo6A1 PRO 260 HB3 -0.14 -0.03 0.10 -0.04 2.02 1.90 2oo6A1 PRO 260 HG2 -0.80 0.07 0.00 -0.04 2.03 1.26 2oo6A1 PRO 260 HG3 -0.17 -0.02 0.08 -0.04 2.03 1.87 2oo6A1 PRO 260 HD2 -0.13 -0.02 0.18 -0.04 3.68 3.68 2oo6A1 PRO 260 HD3 -0.07 0.22 0.19 -0.04 3.65 3.95 2oo6A1 HIS 261 H -0.09 0.03 -0.26 -0.55 8.41 7.54 2oo6A1 HIS 261 HA 0.01 0.26 0.87 -0.75 4.63 5.02 2oo6A1 HIS 261 HB2 0.03 -0.10 -0.12 -0.04 3.26 3.03 2oo6A1 HIS 261 HB3 0.04 0.06 -0.08 -0.04 3.20 3.18 2oo6A1 HIS 261 HD2 0.04 -0.11 -0.07 -0.04 6.97 6.78 2oo6A1 HIS 261 HE1 0.10 0.40 0.01 -0.04 7.75 8.22 2oo6A1 PRO 262 HA 0.00 0.04 0.51 -0.51 4.44 4.48 2oo6A1 PRO 262 HB2 0.09 -0.02 0.10 -0.04 2.28 2.41 2oo6A1 PRO 262 HB3 -0.02 -0.01 0.10 -0.04 2.02 2.06 2oo6A1 PRO 262 HG2 -0.07 0.22 0.15 -0.04 2.03 2.29 2oo6A1 PRO 262 HG3 -0.03 0.01 0.09 -0.04 2.03 2.06 2oo6A1 PRO 262 HD2 0.11 0.17 0.07 -0.04 3.68 4.00 2oo6A1 PRO 262 HD3 0.08 0.17 0.21 -0.04 3.65 4.07 2oo6A1 ILE 263 H -0.03 0.14 0.29 -0.55 8.25 8.10 2oo6A1 ILE 263 HA -0.05 0.30 1.15 -0.75 4.18 4.82 2oo6A1 ILE 263 HB -0.07 -0.06 0.23 -0.04 1.89 1.96 2oo6A1 ILE 263 HG12 -0.01 0.19 0.01 -0.04 1.49 1.64 2oo6A1 ILE 263 HG13 -0.03 -0.03 -0.00 -0.04 1.21 1.10 2oo6A1 ILE 263 HG23 -0.15 -0.02 -0.06 -0.04 0.93 0.67 2oo6A1 ILE 263 HD13 -0.00 -0.01 -0.07 -0.04 0.88 0.75 2oo6A1 SER 264 H -0.34 0.51 0.26 -0.55 8.46 8.34 2oo6A1 SER 264 HA -0.39 0.35 1.12 -0.75 4.49 4.81 2oo6A1 SER 264 HB2 -1.13 -0.02 -0.03 -0.04 3.95 2.73 2oo6A1 SER 264 HB3 -1.28 0.06 -0.14 -0.04 3.93 2.53 2oo6A1 SER 265 H -0.36 0.54 0.35 -0.55 8.46 8.44 2oo6A1 SER 265 HA -0.39 -0.05 0.43 -0.75 4.49 3.72 2oo6A1 SER 265 HB2 -0.29 0.19 -0.20 -0.04 3.95 3.61 2oo6A1 SER 265 HB3 -0.33 0.01 -0.06 -0.04 3.93 3.51 2oo6A1 CYS 266 H -0.43 0.10 0.19 -0.55 8.50 7.81 2oo6A1 CYS 266 HA -0.59 0.03 0.34 -0.75 4.58 3.60 2oo6A1 CYS 266 HB2 -0.14 0.25 0.34 -0.04 2.97 3.38 2oo6A1 CYS 266 HB3 -1.04 -0.04 0.15 -0.04 2.97 1.99 2oo6A1 GLU 267 H -0.32 0.04 -0.13 -0.55 8.60 7.64 2oo6A1 GLU 267 HA -0.20 0.16 0.08 -0.75 4.29 3.57 2oo6A1 GLU 267 HB2 -0.67 -0.03 -0.05 -0.04 2.09 1.30 2oo6A1 GLU 267 HB3 -0.41 0.02 -0.07 -0.04 1.99 1.50 2oo6A1 GLU 267 HG2 -0.28 -0.07 -0.12 -0.04 2.34 1.83 2oo6A1 GLU 267 HG3 -0.37 0.05 -0.41 -0.04 2.34 1.57 2oo6A1 THR 268 H -0.15 -0.04 -0.54 -0.55 8.28 7.01 2oo6A1 THR 268 HA -0.13 0.17 0.70 -0.75 4.39 4.38 2oo6A1 THR 268 HB 0.62 0.05 0.09 -0.04 4.32 5.03 2oo6A1 THR 268 HG23 0.36 -0.01 -0.12 -0.04 1.22 1.41 2oo6A1 LEU 269 H -0.19 0.58 -0.16 -0.55 8.37 8.05 2oo6A1 LEU 269 HA 0.13 0.13 0.58 -0.75 4.35 4.43 2oo6A1 LEU 269 HB2 -1.05 0.10 -0.01 -0.04 1.64 0.64 2oo6A1 LEU 269 HB3 -0.27 -0.03 -0.11 -0.04 1.64 1.19 2oo6A1 LEU 269 HG -0.44 -0.23 0.00 -0.04 1.64 0.94 2oo6A1 LEU 269 HD13 -1.00 0.07 -0.07 -0.04 0.93 -0.11 2oo6A1 LEU 269 HD23 0.13 0.03 -0.11 -0.04 0.89 0.89 2oo6A1 PHE 270 H 0.38 0.19 0.15 -0.55 8.34 8.50 2oo6A1 PHE 270 HA 0.32 0.17 0.91 -0.75 4.62 5.27 2oo6A1 PHE 270 HB2 0.17 -0.01 0.18 -0.04 3.15 3.45 2oo6A1 PHE 270 HB3 0.21 0.02 -0.03 -0.04 3.06 3.22 2oo6A1 PHE 270 HD2 0.21 0.05 -0.04 -0.04 7.28 7.45 2oo6A1 PHE 270 HE2 0.12 0.09 -0.11 -0.04 7.38 7.44 2oo6A1 PHE 270 HZ -0.67 0.00 -0.07 -0.04 7.32 6.53 2oo6A1 GLY 271 H 0.32 0.16 0.06 -0.55 8.43 8.43 2oo6A1 GLY 271 HA2 0.14 0.07 0.35 -0.51 4.01 4.06 2oo6A1 GLY 271 HA3 0.20 0.11 0.33 -0.51 4.01 4.14 2oo6A1 ILE 272 H -0.00 0.19 0.11 -0.55 8.25 8.01 2oo6A1 ILE 272 HA -0.05 0.09 0.39 -0.75 4.18 3.85 2oo6A1 ILE 272 HB -0.18 -0.01 0.09 -0.04 1.89 1.74 2oo6A1 ILE 272 HG12 -0.09 0.04 -0.06 -0.04 1.49 1.34 2oo6A1 ILE 272 HG13 -0.08 -0.10 -0.03 -0.04 1.21 0.96 2oo6A1 ILE 272 HG23 -1.01 0.03 -0.14 -0.04 0.93 -0.22 2oo6A1 ILE 272 HD13 -0.13 0.05 -0.06 -0.04 0.88 0.70 2oo6A1 ARG 273 H 0.02 0.07 -0.20 -0.55 8.46 7.80 2oo6A1 ARG 273 HA -0.01 0.07 0.29 -0.75 4.34 3.93 2oo6A1 ARG 273 HB2 0.09 0.00 0.06 -0.04 1.90 2.01 2oo6A1 ARG 273 HB3 0.06 0.06 -0.02 -0.04 1.80 1.86 2oo6A1 ARG 273 HG2 0.01 0.03 0.03 -0.04 1.67 1.70 2oo6A1 ARG 273 HG3 0.01 -0.07 0.05 -0.04 1.67 1.61 2oo6A1 ARG 273 HD2 0.09 0.00 -0.00 -0.04 3.22 3.27 2oo6A1 ARG 273 HD3 0.06 0.03 -0.00 -0.04 3.22 3.27 2oo6A1 GLU 274 H 0.20 0.33 -0.30 -0.55 8.60 8.28 2oo6A1 GLU 274 HA 0.14 0.14 0.53 -0.75 4.29 4.34 2oo6A1 GLU 274 HB2 0.22 0.08 0.01 -0.04 2.09 2.37 2oo6A1 GLU 274 HB3 0.14 -0.06 0.02 -0.04 1.99 2.05 2oo6A1 GLU 274 HG2 0.14 0.03 0.03 -0.04 2.34 2.50 2oo6A1 GLU 274 HG3 0.18 0.04 0.06 -0.04 2.34 2.58 2oo6A1 PHE 275 H 0.38 0.34 -0.16 -0.55 8.34 8.36 2oo6A1 PHE 275 HA -0.09 0.02 0.54 -0.75 4.62 4.34 2oo6A1 PHE 275 HB2 -0.03 0.07 0.07 -0.04 3.15 3.22 2oo6A1 PHE 275 HB3 -0.75 0.01 -0.08 -0.04 3.06 2.20 2oo6A1 PHE 275 HD2 -0.08 0.16 -0.17 -0.04 7.28 7.15 2oo6A1 PHE 275 HE2 0.01 0.02 -0.27 -0.04 7.38 7.10 2oo6A1 PHE 275 HZ -0.04 0.02 0.00 -0.04 7.32 7.26 2oo6A1 LYS 276 H 0.13 0.48 -0.22 -0.55 8.42 8.26 2oo6A1 LYS 276 HA 0.40 -0.00 0.16 -0.75 4.32 4.12 2oo6A1 LYS 276 HB2 -0.05 0.04 0.04 -0.04 1.87 1.86 2oo6A1 LYS 276 HB3 0.06 0.15 0.09 -0.04 1.79 2.05 2oo6A1 LYS 276 HG2 0.16 -0.03 -0.24 -0.04 1.46 1.32 2oo6A1 LYS 276 HG3 0.40 -0.01 -0.03 -0.04 1.46 1.79 2oo6A1 LYS 276 HD2 -0.02 -0.03 -0.05 -0.04 1.69 1.55 2oo6A1 LYS 276 HD3 0.03 0.02 -0.03 -0.04 1.68 1.66 2oo6A1 LYS 276 HE2 0.13 0.01 -0.04 -0.04 2.99 3.05 2oo6A1 LYS 276 HE3 0.05 -0.01 -0.04 -0.04 2.99 2.96 2oo6A1 PRO 277 HA -0.01 0.06 0.35 -0.51 4.44 4.34 2oo6A1 PRO 277 HB2 -0.36 -0.02 -0.00 -0.04 2.28 1.85 2oo6A1 PRO 277 HB3 -0.10 0.01 0.09 -0.04 2.02 1.97 2oo6A1 PRO 277 HG2 -0.05 0.05 0.06 -0.04 2.03 2.05 2oo6A1 PRO 277 HG3 -0.01 0.03 0.07 -0.04 2.03 2.08 2oo6A1 PRO 277 HD2 0.12 0.24 -0.50 -0.04 3.68 3.50 2oo6A1 PRO 277 HD3 0.06 0.29 0.08 -0.04 3.65 4.05 2oo6A1 PHE 278 H 0.11 0.37 -0.34 -0.55 8.34 7.93 2oo6A1 PHE 278 HA 0.02 -0.00 0.41 -0.75 4.62 4.29 2oo6A1 PHE 278 HB2 -0.16 0.21 0.13 -0.04 3.15 3.28 2oo6A1 PHE 278 HB3 0.02 -0.04 -0.05 -0.04 3.06 2.95 2oo6A1 PHE 278 HD2 -0.09 0.13 0.04 -0.04 7.28 7.32 2oo6A1 PHE 278 HE2 -0.02 -0.00 -0.11 -0.04 7.38 7.21 2oo6A1 PHE 278 HZ 0.10 0.01 0.01 -0.04 7.32 7.39 2oo6A1 PHE 279 H 0.07 0.43 -0.05 -0.55 8.34 8.24 2oo6A1 PHE 279 HA -0.10 0.03 0.39 -0.75 4.62 4.19 2oo6A1 PHE 279 HB2 -0.36 0.04 0.05 -0.04 3.15 2.83 2oo6A1 PHE 279 HB3 -1.13 0.07 0.00 -0.04 3.06 1.96 2oo6A1 PHE 279 HD2 -0.61 -0.03 -0.20 -0.04 7.28 6.39 2oo6A1 PHE 279 HE2 -0.05 -0.04 -0.15 -0.04 7.38 7.10 2oo6A1 PHE 279 HZ 0.16 -0.04 -0.12 -0.04 7.32 7.28 2oo6A1 ASP 280 H 0.15 0.57 -0.15 -0.55 8.40 8.41 2oo6A1 ASP 280 HA 0.18 0.05 0.35 -0.75 4.63 4.45 2oo6A1 ASP 280 HB2 0.08 0.02 0.08 -0.04 2.71 2.85 2oo6A1 ASP 280 HB3 0.09 -0.04 -0.02 -0.04 2.70 2.69 2oo6A1 ALA 281 H 0.06 0.34 -0.35 -0.55 8.40 7.90 2oo6A1 ALA 281 HA 0.04 0.10 0.62 -0.75 4.34 4.34 2oo6A1 ALA 281 HB3 -0.00 -0.04 0.02 -0.04 1.41 1.35 2oo6A1 ASN 282 H 0.08 0.44 -0.41 -0.55 8.53 8.09 2oo6A1 ASN 282 HA 0.03 0.08 0.30 -0.75 4.76 4.42 2oo6A1 ASN 282 HB2 0.02 0.18 0.17 -0.04 2.88 3.21 2oo6A1 ASN 282 HB3 0.00 -0.02 0.19 -0.04 2.79 2.92 2oo6A1 ASN 282 HD21 0.03 -0.04 0.00 -0.04 7.03 6.99 2oo6A1 ASN 282 HD22 0.02 0.04 0.06 -0.04 7.74 7.82 2oo6A1 ALA 283 H 0.13 0.47 -0.02 -0.55 8.40 8.43 2oo6A1 ALA 283 HA 0.06 0.12 0.16 -0.75 4.34 3.93 2oo6A1 ALA 283 HB3 0.22 -0.06 -0.01 -0.04 1.41 1.52 2oo6A1 VAL 284 H 0.06 0.17 -0.25 -0.55 8.24 7.67 2oo6A1 VAL 284 HA -0.04 0.21 0.98 -0.75 4.13 4.52 2oo6A1 VAL 284 HB -0.09 0.11 -0.07 -0.04 2.12 2.02 2oo6A1 VAL 284 HG13 -0.05 -0.05 -0.35 -0.04 0.97 0.48 2oo6A1 VAL 284 HG23 0.11 -0.02 -0.34 -0.04 0.95 0.66 2oo6A1 ASP 285 H -0.08 0.34 0.32 -0.55 8.40 8.44 2oo6A1 ASP 285 HA -0.07 0.17 0.81 -0.75 4.63 4.78 2oo6A1 ASP 285 HB2 -0.06 -0.00 0.19 -0.04 2.71 2.79 2oo6A1 ASP 285 HB3 -0.05 0.02 0.06 -0.04 2.70 2.69 2oo6A1 VAL 286 H -0.15 0.40 0.22 -0.55 8.24 8.16 2oo6A1 VAL 286 HA -0.08 0.34 0.92 -0.75 4.13 4.55 2oo6A1 VAL 286 HB -0.36 -0.15 -0.08 -0.04 2.12 1.49 2oo6A1 VAL 286 HG13 -0.06 -0.00 -0.34 -0.04 0.97 0.52 2oo6A1 VAL 286 HG23 0.07 0.01 -0.27 -0.04 0.95 0.72 2oo6A1 ALA 287 H -0.03 0.66 0.19 -0.55 8.40 8.68 2oo6A1 ALA 287 HA 0.02 0.14 0.91 -0.75 4.34 4.66 2oo6A1 ALA 287 HB3 0.36 0.01 -0.07 -0.04 1.41 1.67 2oo6A1 ILE 288 H -0.12 0.80 0.32 -0.55 8.25 8.69 2oo6A1 ILE 288 HA -0.00 0.23 0.88 -0.75 4.18 4.54 2oo6A1 ILE 288 HB -0.20 -0.22 -0.18 -0.04 1.89 1.24 2oo6A1 ILE 288 HG12 -0.41 0.11 -0.06 -0.04 1.49 1.08 2oo6A1 ILE 288 HG13 -0.35 -0.13 -0.19 -0.04 1.21 0.50 2oo6A1 ILE 288 HG23 -0.10 0.01 -0.28 -0.04 0.93 0.52 2oo6A1 ILE 288 HD13 -0.52 0.02 -0.24 -0.04 0.88 0.10 2oo6A1 VAL 289 H 0.06 0.60 0.14 -0.55 8.24 8.49 2oo6A1 VAL 289 HA 0.21 0.24 0.83 -0.75 4.13 4.66 2oo6A1 VAL 289 HB -0.04 -0.01 -0.05 -0.04 2.12 1.98 2oo6A1 VAL 289 HG13 -0.12 -0.02 -0.28 -0.04 0.97 0.51 2oo6A1 VAL 289 HG23 0.02 0.05 -0.32 -0.04 0.95 0.65 2oo6A1 ASP 290 H 0.03 0.37 0.08 -0.55 8.40 8.33 2oo6A1 ASP 290 HA -0.05 0.05 0.84 -0.75 4.63 4.73 2oo6A1 ASP 290 HB2 -0.20 0.28 0.18 -0.04 2.71 2.93 2oo6A1 ASP 290 HB3 -0.13 0.06 0.24 -0.04 2.70 2.83 2oo6A1 THR 291 H -0.16 0.33 0.21 -0.55 8.28 8.11 2oo6A1 THR 291 HA -0.07 0.14 0.33 -0.75 4.39 4.04 2oo6A1 THR 291 HB -0.20 -0.04 -0.08 -0.04 4.32 3.96 2oo6A1 THR 291 HG23 -0.98 0.06 -0.05 -0.04 1.22 0.21 2oo6A1 ILE 292 H 0.02 0.11 -0.09 -0.55 8.25 7.75 2oo6A1 ILE 292 HA 0.11 0.13 0.58 -0.75 4.18 4.25 2oo6A1 ILE 292 HB 0.28 -0.04 0.04 -0.04 1.89 2.14 2oo6A1 ILE 292 HG12 -0.01 0.07 0.12 -0.04 1.49 1.63 2oo6A1 ILE 292 HG13 0.13 -0.09 0.04 -0.04 1.21 1.25 2oo6A1 ILE 292 HG23 0.37 0.06 -0.05 -0.04 0.93 1.27 2oo6A1 ILE 292 HD13 -0.07 0.03 0.04 -0.04 0.88 0.84 2oo6A1 TRP 293 H 0.40 0.04 -0.23 -0.55 7.97 7.64 2oo6A1 TRP 293 HA 0.24 0.09 0.57 -0.75 4.62 4.76 2oo6A1 TRP 293 HB2 0.02 0.06 0.09 -0.04 3.23 3.36 2oo6A1 TRP 293 HB3 -0.04 0.06 -0.14 -0.04 3.23 3.07 2oo6A1 TRP 293 HD1 0.29 -0.11 -0.17 -0.04 7.22 7.19 2oo6A1 TRP 293 HE1 0.45 -0.07 -0.06 -0.04 10.20 10.47 2oo6A1 TRP 293 HE3 -0.60 0.06 -0.13 -0.04 7.59 6.88 2oo6A1 TRP 293 HZ2 0.51 0.08 -0.04 -0.04 7.44 7.95 2oo6A1 TRP 293 HZ3 0.21 0.15 0.08 -0.04 7.13 7.53 2oo6A1 TRP 293 HH2 0.23 0.05 -0.02 -0.04 7.19 7.41 2oo6A1 ASN 294 H 0.26 0.38 -0.09 -0.55 8.53 8.53 2oo6A1 ASN 294 HA 0.40 0.08 0.40 -0.75 4.76 4.89 2oo6A1 ASN 294 HB2 0.11 0.06 0.06 -0.04 2.88 3.08 2oo6A1 ASN 294 HB3 0.15 -0.05 -0.08 -0.04 2.79 2.77 2oo6A1 ASN 294 HD21 0.10 0.47 0.19 -0.04 7.03 7.76 2oo6A1 ASN 294 HD22 0.10 0.29 0.10 -0.04 7.74 8.19 2oo6A1 GLY 295 H 0.21 0.22 -0.46 -0.55 8.43 7.85 2oo6A1 GLY 295 HA2 0.20 0.13 0.42 -0.51 4.01 4.26 2oo6A1 GLY 295 HA3 0.23 0.09 0.74 -0.51 4.01 4.56 2oo6A1 VAL 296 H 0.25 0.18 0.12 -0.55 8.24 8.24 2oo6A1 VAL 296 HA 0.11 0.05 0.35 -0.75 4.13 3.89 2oo6A1 VAL 296 HB 0.54 0.00 0.09 -0.04 2.12 2.72 2oo6A1 VAL 296 HG13 0.49 0.03 -0.15 -0.04 0.97 1.31 2oo6A1 VAL 296 HG23 0.02 0.02 -0.01 -0.04 0.95 0.94 2oo6A1 TRP 297 H 0.39 0.09 -0.16 -0.55 7.97 7.74 2oo6A1 TRP 297 HA 0.11 0.18 0.44 -0.75 4.62 4.60 2oo6A1 TRP 297 HB2 0.02 0.02 0.05 -0.04 3.23 3.29 2oo6A1 TRP 297 HB3 0.04 -0.03 0.01 -0.04 3.23 3.22 2oo6A1 TRP 297 HD1 -0.01 -0.03 -0.14 -0.04 7.22 7.00 2oo6A1 TRP 297 HE1 0.04 0.01 -0.03 -0.04 10.20 10.18 2oo6A1 TRP 297 HE3 0.09 -0.07 -0.05 -0.04 7.59 7.53 2oo6A1 TRP 297 HZ2 0.06 -0.00 -0.00 -0.04 7.44 7.46 2oo6A1 TRP 297 HZ3 0.10 0.51 0.09 -0.04 7.13 7.80 2oo6A1 TRP 297 HH2 0.09 0.07 0.03 -0.04 7.19 7.33 2oo6A1 GLN 298 H 0.16 0.14 -0.26 -0.55 8.47 7.96 2oo6A1 GLN 298 HA -0.09 0.05 0.41 -0.75 4.36 3.97 2oo6A1 GLN 298 HB2 0.08 0.19 -0.06 -0.04 2.15 2.32 2oo6A1 GLN 298 HB3 -0.01 -0.12 0.06 -0.04 2.02 1.92 2oo6A1 GLN 298 HG2 -0.04 -0.07 0.05 -0.04 2.40 2.31 2oo6A1 GLN 298 HG3 -0.10 0.09 0.07 -0.04 2.39 2.41 2oo6A1 GLN 298 HE21 -0.56 0.02 -0.06 -0.04 6.97 6.33 2oo6A1 GLN 298 HE22 -0.30 -0.02 -0.05 -0.04 7.69 7.28 2oo6A1 SER 299 H 0.08 0.33 -0.50 -0.55 8.46 7.82 2oo6A1 SER 299 HA -0.01 -0.05 0.30 -0.75 4.49 3.98 2oo6A1 SER 299 HB2 0.00 0.16 0.11 -0.04 3.95 4.18 2oo6A1 SER 299 HB3 -0.30 -0.01 -0.08 -0.04 3.93 3.49 2oo6A1 MET 300 H 0.06 0.46 -0.18 -0.55 8.47 8.26 2oo6A1 MET 300 HA 0.08 0.05 0.46 -0.75 4.52 4.35 2oo6A1 MET 300 HB2 -0.41 0.10 0.15 -0.04 2.15 1.95 2oo6A1 MET 300 HB3 -0.24 0.04 0.04 -0.04 2.03 1.83 2oo6A1 MET 300 HG2 0.13 0.13 0.06 -0.04 2.63 2.91 2oo6A1 MET 300 HG3 -0.08 0.03 0.02 -0.04 2.56 2.49 2oo6A1 MET 300 HE3 -0.10 0.05 -0.03 -0.04 2.10 1.97 2oo6A1 LYS 301 H -0.16 0.32 -0.26 -0.55 8.42 7.77 2oo6A1 LYS 301 HA -0.09 0.08 0.44 -0.75 4.32 3.99 2oo6A1 LYS 301 HB2 -0.08 0.07 0.17 -0.04 1.87 1.98 2oo6A1 LYS 301 HB3 -0.07 -0.05 0.06 -0.04 1.79 1.69 2oo6A1 LYS 301 HG2 -0.18 0.02 0.02 -0.04 1.46 1.28 2oo6A1 LYS 301 HG3 -0.28 0.19 0.09 -0.04 1.46 1.41 2oo6A1 LYS 301 HD2 -0.11 -0.07 0.05 -0.04 1.69 1.52 2oo6A1 LYS 301 HD3 -0.07 -0.01 0.02 -0.04 1.68 1.58 2oo6A1 LYS 301 HE2 0.02 0.04 -0.03 -0.04 2.99 2.98 2oo6A1 LYS 301 HE3 -0.01 -0.01 -0.12 -0.04 2.99 2.81 2oo6A1 ILE 302 H -0.04 0.43 -0.10 -0.55 8.25 7.99 2oo6A1 ILE 302 HA 0.02 -0.03 0.40 -0.75 4.18 3.82 2oo6A1 ILE 302 HB -0.17 0.12 0.05 -0.04 1.89 1.86 2oo6A1 ILE 302 HG12 -0.25 -0.08 -0.28 -0.04 1.49 0.84 2oo6A1 ILE 302 HG13 -0.08 0.10 0.01 -0.04 1.21 1.19 2oo6A1 ILE 302 HG23 -0.89 0.01 -0.21 -0.04 0.93 -0.21 2oo6A1 ILE 302 HD13 -0.09 -0.06 -0.12 -0.04 0.88 0.57 2oo6A1 ALA 303 H 0.07 0.60 -0.14 -0.55 8.40 8.39 2oo6A1 ALA 303 HA 0.06 0.02 0.37 -0.75 4.34 4.04 2oo6A1 ALA 303 HB3 0.06 0.02 0.06 -0.04 1.41 1.51 2oo6A1 ALA 304 H 0.01 0.56 -0.14 -0.55 8.40 8.29 2oo6A1 ALA 304 HA 0.00 0.05 0.53 -0.75 4.34 4.17 2oo6A1 ALA 304 HB3 0.00 0.02 0.11 -0.04 1.41 1.50 2oo6A1 PHE 305 H 0.21 0.45 -0.19 -0.55 8.34 8.25 2oo6A1 PHE 305 HA 0.10 0.01 0.42 -0.75 4.62 4.40 2oo6A1 PHE 305 HB2 0.06 -0.03 0.11 -0.04 3.15 3.25 2oo6A1 PHE 305 HB3 0.07 0.09 0.21 -0.04 3.06 3.39 2oo6A1 PHE 305 HD2 0.14 -0.01 -0.01 -0.04 7.28 7.35 2oo6A1 PHE 305 HE2 0.10 -0.03 -0.14 -0.04 7.38 7.27 2oo6A1 PHE 305 HZ 0.22 -0.01 -0.05 -0.04 7.32 7.45 2oo6A1 ALA 306 H 0.14 0.67 -0.04 -0.55 8.40 8.62 2oo6A1 ALA 306 HA -0.43 -0.03 0.33 -0.75 4.34 3.46 2oo6A1 ALA 306 HB3 -0.03 0.02 0.01 -0.04 1.41 1.36 2oo6A1 ASP 307 H -0.02 0.44 -0.31 -0.55 8.40 7.97 2oo6A1 ASP 307 HA -0.07 0.05 0.31 -0.75 4.63 4.17 2oo6A1 ASP 307 HB2 -0.03 0.04 0.19 -0.04 2.71 2.86 2oo6A1 ASP 307 HB3 -0.02 0.12 0.23 -0.04 2.70 2.99 2oo6A1 ALA 308 H -0.03 0.46 -0.22 -0.55 8.40 8.07 2oo6A1 ALA 308 HA -0.06 0.01 0.42 -0.75 4.34 3.95 2oo6A1 ALA 308 HB3 -0.04 0.01 0.11 -0.04 1.41 1.45 2oo6A1 HIS 309 H -0.08 0.38 -0.35 -0.55 8.41 7.81 2oo6A1 HIS 309 HA -0.13 0.10 0.77 -0.75 4.63 4.62 2oo6A1 HIS 309 HB2 -0.50 0.08 0.11 -0.04 3.26 2.91 2oo6A1 HIS 309 HB3 -0.32 -0.01 0.11 -0.04 3.20 2.94 2oo6A1 HIS 309 HD2 -0.63 0.25 -0.06 -0.04 6.97 6.48 2oo6A1 HIS 309 HE1 0.11 -0.03 -0.14 -0.04 7.75 7.64 2oo6A1 ASP 310 H -0.08 0.50 -0.41 -0.55 8.40 7.85 2oo6A1 ASP 310 HA -0.07 0.04 0.29 -0.75 4.63 4.13 2oo6A1 ASP 310 HB2 -0.06 0.11 -0.07 -0.04 2.71 2.66 2oo6A1 ASP 310 HB3 -0.06 -0.07 0.22 -0.04 2.70 2.75 2oo6A1 ILE 311 H -0.17 0.46 -0.21 -0.55 8.25 7.78 2oo6A1 ILE 311 HA -0.15 0.23 0.88 -0.75 4.18 4.39 2oo6A1 ILE 311 HB -0.52 -0.10 0.02 -0.04 1.89 1.25 2oo6A1 ILE 311 HG12 -0.27 0.15 -0.07 -0.04 1.49 1.25 2oo6A1 ILE 311 HG13 -0.28 0.18 -0.38 -0.04 1.21 0.68 2oo6A1 ILE 311 HG23 -0.26 0.02 -0.23 -0.04 0.93 0.42 2oo6A1 ILE 311 HD13 -0.99 -0.06 -0.06 -0.04 0.88 -0.27 2oo6A1 ASN 312 H -0.07 0.23 0.11 -0.55 8.53 8.26 2oo6A1 ASN 312 HA -0.02 0.24 0.81 -0.75 4.76 5.03 2oo6A1 ASN 312 HB2 0.01 -0.00 -0.00 -0.04 2.88 2.84 2oo6A1 ASN 312 HB3 0.04 -0.05 -0.24 -0.04 2.79 2.50 2oo6A1 ASN 312 HD21 -0.01 0.00 -0.11 -0.04 7.03 6.87 2oo6A1 ASN 312 HD22 0.01 0.01 -0.13 -0.04 7.74 7.59 2oo6A1 VAL 313 H 0.05 0.71 0.40 -0.55 8.24 8.85 2oo6A1 VAL 313 HA 0.07 0.30 1.04 -0.75 4.13 4.79 2oo6A1 VAL 313 HB 0.17 -0.08 -0.02 -0.04 2.12 2.15 2oo6A1 VAL 313 HG13 0.07 0.01 -0.19 -0.04 0.97 0.81 2oo6A1 VAL 313 HG23 0.15 0.04 -0.08 -0.04 0.95 1.02 2oo6A1 ALA 314 H 0.12 0.48 0.30 -0.55 8.40 8.75 2oo6A1 ALA 314 HA 0.24 0.34 1.00 -0.75 4.34 5.16 2oo6A1 ALA 314 HB3 0.36 -0.02 -0.07 -0.04 1.41 1.63 2oo6A1 PRO 315 HA 0.02 0.25 0.76 -0.51 4.44 4.96 2oo6A1 PRO 315 HB2 0.01 -0.04 -0.03 -0.04 2.28 2.18 2oo6A1 PRO 315 HB3 -0.03 -0.00 0.14 -0.04 2.02 2.09 2oo6A1 PRO 315 HG2 0.12 -0.04 0.12 -0.04 2.03 2.19 2oo6A1 PRO 315 HG3 0.29 0.13 0.08 -0.04 2.03 2.48 2oo6A1 PRO 315 HD2 0.21 0.34 0.41 -0.04 3.68 4.60 2oo6A1 PRO 315 HD3 0.33 0.18 0.12 -0.04 3.65 4.24 2oo6A1 HIS 316 H 0.03 0.38 0.20 -0.55 8.41 8.47 2oo6A1 HIS 316 HA -0.08 0.13 0.68 -0.75 4.63 4.61 2oo6A1 HIS 316 HB2 -0.16 0.05 -0.10 -0.04 3.26 3.00 2oo6A1 HIS 316 HB3 -0.21 -0.14 0.12 -0.04 3.20 2.93 2oo6A1 HIS 316 HD2 -0.54 0.07 -0.05 -0.04 6.97 6.40 2oo6A1 HIS 316 HE1 -1.01 0.03 -0.15 -0.04 7.75 6.57 2oo6A1 ASN 317 H -0.04 0.26 -0.13 -0.55 8.53 8.07 2oo6A1 ASN 317 HA -0.20 0.01 0.76 -0.75 4.76 4.58 2oo6A1 ASN 317 HB2 -0.06 0.01 -0.29 -0.04 2.88 2.50 2oo6A1 ASN 317 HB3 -0.09 0.25 -0.02 -0.04 2.79 2.89 2oo6A1 ASN 317 HD21 -0.02 -0.09 -0.01 -0.04 7.03 6.86 2oo6A1 ASN 317 HD22 -0.05 0.55 0.19 -0.04 7.74 8.38 2oo6A1 PHE 318 H -0.40 0.09 -0.08 -0.55 8.34 7.40 2oo6A1 PHE 318 HA -0.09 0.27 0.55 -0.75 4.62 4.60 2oo6A1 PHE 318 HB2 0.06 0.07 0.06 -0.04 3.15 3.30 2oo6A1 PHE 318 HB3 -0.05 -0.02 -0.32 -0.04 3.06 2.63 2oo6A1 PHE 318 HD2 -0.64 -0.02 -0.09 -0.04 7.28 6.49 2oo6A1 PHE 318 HE2 -0.18 0.02 -0.09 -0.04 7.38 7.09 2oo6A1 PHE 318 HZ -0.56 -0.01 -0.07 -0.04 7.32 6.63 2oo6A1 TYR 319 H -0.17 0.03 -0.12 -0.55 8.29 7.47 2oo6A1 TYR 319 HA -0.16 0.29 0.84 -0.75 4.56 4.77 2oo6A1 TYR 319 HB2 -0.22 0.00 0.11 -0.04 3.06 2.91 2oo6A1 TYR 319 HB3 -0.30 -0.00 0.17 -0.04 2.98 2.81 2oo6A1 TYR 319 HD2 -0.26 0.08 -0.07 -0.04 7.15 6.86 2oo6A1 TYR 319 HE2 -0.13 0.01 -0.10 -0.04 6.85 6.59 2oo6A1 GLY 320 H -0.42 0.06 0.11 -0.55 8.43 7.63 2oo6A1 GLY 320 HA2 -0.26 0.29 0.44 -0.51 4.01 3.97 2oo6A1 GLY 320 HA3 -0.74 0.05 0.35 -0.51 4.01 3.16 2oo6A1 HIS 321 H -0.67 0.26 0.11 -0.55 8.41 7.56 2oo6A1 HIS 321 HA -0.30 0.14 0.36 -0.75 4.63 4.08 2oo6A1 HIS 321 HB2 -1.71 -0.04 0.03 -0.04 3.26 1.51 2oo6A1 HIS 321 HB3 -0.49 0.14 -0.06 -0.04 3.20 2.75 2oo6A1 HIS 321 HD2 0.13 0.12 -0.12 -0.04 6.97 7.05 2oo6A1 HIS 321 HE1 0.02 0.09 -0.03 -0.04 7.75 7.78 2oo6A1 LEU 322 H -1.00 0.09 -0.24 -0.55 8.37 6.67 2oo6A1 LEU 322 HA -0.18 0.19 0.34 -0.75 4.35 3.94 2oo6A1 LEU 322 HB2 0.07 0.09 -0.07 -0.04 1.64 1.70 2oo6A1 LEU 322 HB3 0.13 -0.08 -0.04 -0.04 1.64 1.60 2oo6A1 LEU 322 HG 0.00 -0.11 -0.27 -0.04 1.64 1.23 2oo6A1 LEU 322 HD13 0.14 0.06 0.03 -0.04 0.93 1.12 2oo6A1 LEU 322 HD23 0.38 0.04 -0.32 -0.04 0.89 0.94 2oo6A1 CYS 323 H -0.17 0.05 -0.28 -0.55 8.50 7.54 2oo6A1 CYS 323 HA -0.14 0.00 0.45 -0.75 4.58 4.13 2oo6A1 CYS 323 HB2 -0.07 0.00 0.01 -0.04 2.97 2.87 2oo6A1 CYS 323 HB3 -0.04 0.00 -0.03 -0.04 2.97 2.85 2oo6A1 THR 324 H -0.12 0.44 -0.26 -0.55 8.28 7.80 2oo6A1 THR 324 HA -0.06 0.04 0.39 -0.75 4.39 4.01 2oo6A1 THR 324 HB -0.07 0.16 0.11 -0.04 4.32 4.48 2oo6A1 THR 324 HG23 -0.01 0.02 -0.11 -0.04 1.22 1.08 2oo6A1 MET 325 H -0.12 0.45 -0.20 -0.55 8.47 8.06 2oo6A1 MET 325 HA 0.00 0.11 0.45 -0.75 4.52 4.33 2oo6A1 MET 325 HB2 -0.00 -0.05 0.03 -0.04 2.15 2.08 2oo6A1 MET 325 HB3 0.12 0.25 -0.14 -0.04 2.03 2.22 2oo6A1 MET 325 HG2 -0.11 0.11 -0.08 -0.04 2.63 2.51 2oo6A1 MET 325 HG3 -0.02 -0.03 -0.34 -0.04 2.56 2.13 2oo6A1 MET 325 HE3 -0.09 0.03 -0.29 -0.04 2.10 1.71 2oo6A1 ILE 326 H -0.27 0.55 -0.05 -0.55 8.25 7.93 2oo6A1 ILE 326 HA -1.05 0.02 0.51 -0.75 4.18 2.91 2oo6A1 ILE 326 HB -0.42 0.02 0.22 -0.04 1.89 1.67 2oo6A1 ILE 326 HG12 -2.80 0.02 0.12 -0.04 1.49 -1.21 2oo6A1 ILE 326 HG13 -0.89 0.15 0.10 -0.04 1.21 0.53 2oo6A1 ILE 326 HG23 -0.72 -0.02 -0.07 -0.04 0.93 0.08 2oo6A1 ILE 326 HD13 -0.31 -0.04 0.04 -0.04 0.88 0.53 2oo6A1 ASN 327 H -0.13 0.54 -0.15 -0.55 8.53 8.25 2oo6A1 ASN 327 HA 0.03 -0.07 0.35 -0.75 4.76 4.32 2oo6A1 ASN 327 HB2 -0.04 0.15 0.13 -0.04 2.88 3.09 2oo6A1 ASN 327 HB3 0.03 0.03 -0.01 -0.04 2.79 2.80 2oo6A1 ASN 327 HD21 -0.10 -0.08 0.06 -0.04 7.03 6.87 2oo6A1 ASN 327 HD22 -0.09 0.03 -0.10 -0.04 7.74 7.54 2oo6A1 ALA 328 H 0.03 0.48 -0.19 -0.55 8.40 8.17 2oo6A1 ALA 328 HA 0.08 0.03 0.42 -0.75 4.34 4.12 2oo6A1 ALA 328 HB3 0.06 0.05 0.08 -0.04 1.41 1.56 2oo6A1 ASN 329 H 0.24 0.48 -0.14 -0.55 8.53 8.56 2oo6A1 ASN 329 HA 0.33 0.09 0.57 -0.75 4.76 5.00 2oo6A1 ASN 329 HB2 0.65 0.12 0.19 -0.04 2.88 3.80 2oo6A1 ASN 329 HB3 0.48 -0.09 -0.13 -0.04 2.79 3.02 2oo6A1 ASN 329 HD21 0.28 0.24 0.15 -0.04 7.03 7.66 2oo6A1 ASN 329 HD22 0.44 0.39 0.21 -0.04 7.74 8.74 2oo6A1 PHE 330 H 0.38 0.37 -0.06 -0.55 8.34 8.47 2oo6A1 PHE 330 HA 0.14 0.04 0.51 -0.75 4.62 4.57 2oo6A1 PHE 330 HB2 0.10 -0.09 0.08 -0.04 3.15 3.20 2oo6A1 PHE 330 HB3 0.06 0.13 0.15 -0.04 3.06 3.37 2oo6A1 PHE 330 HD2 0.06 0.05 -0.09 -0.04 7.28 7.26 2oo6A1 PHE 330 HE2 0.02 0.01 -0.33 -0.04 7.38 7.04 2oo6A1 PHE 330 HZ 0.01 0.01 -0.15 -0.04 7.32 7.15 2oo6A1 ALA 331 H 0.26 0.70 -0.05 -0.55 8.40 8.76 2oo6A1 ALA 331 HA -0.07 -0.00 0.40 -0.75 4.34 3.92 2oo6A1 ALA 331 HB3 0.11 0.01 0.04 -0.04 1.41 1.52 2oo6A1 ALA 332 H 0.07 0.39 -0.33 -0.55 8.40 7.99 2oo6A1 ALA 332 HA -0.05 0.06 0.40 -0.75 4.34 3.99 2oo6A1 ALA 332 HB3 -0.07 0.00 0.12 -0.04 1.41 1.42 2oo6A1 ALA 333 H -0.05 0.30 -0.43 -0.55 8.40 7.66 2oo6A1 ALA 333 HA -0.06 0.18 0.61 -0.75 4.34 4.32 2oo6A1 ALA 333 HB3 0.02 0.00 -0.02 -0.04 1.41 1.37 2oo6A1 VAL 334 H -0.24 0.26 -0.12 -0.55 8.24 7.59 2oo6A1 VAL 334 HA -0.19 0.00 0.53 -0.75 4.13 3.71 2oo6A1 VAL 334 HB -0.43 0.00 0.02 -0.04 2.12 1.67 2oo6A1 VAL 334 HG13 -0.16 -0.01 -0.34 -0.04 0.97 0.41 2oo6A1 VAL 334 HG23 -0.95 0.01 -0.07 -0.04 0.95 -0.10 2oo6A1 PRO 335 HA -0.05 0.15 0.52 -0.51 4.44 4.55 2oo6A1 PRO 335 HB2 -0.04 0.02 0.02 -0.04 2.28 2.24 2oo6A1 PRO 335 HB3 -0.04 0.06 0.11 -0.04 2.02 2.11 2oo6A1 PRO 335 HG2 -0.05 -0.06 0.12 -0.04 2.03 2.00 2oo6A1 PRO 335 HG3 -0.05 0.06 0.10 -0.04 2.03 2.10 2oo6A1 PRO 335 HD2 -0.10 -0.01 0.23 -0.04 3.68 3.76 2oo6A1 PRO 335 HD3 -0.07 0.37 0.25 -0.04 3.65 4.16 2oo6A1 ASN 336 H -0.06 0.09 -0.11 -0.55 8.53 7.91 2oo6A1 ASN 336 HA -0.02 0.17 0.38 -0.75 4.76 4.53 2oo6A1 ASN 336 HB2 -0.03 0.04 0.08 -0.04 2.88 2.93 2oo6A1 ASN 336 HB3 -0.04 0.02 0.03 -0.04 2.79 2.76 2oo6A1 ASN 336 HD21 -0.02 0.10 0.15 -0.04 7.03 7.22 2oo6A1 ASN 336 HD22 -0.05 0.47 0.14 -0.04 7.74 8.26 2oo6A1 LEU 337 H -0.01 0.62 0.02 -0.55 8.37 8.46 2oo6A1 LEU 337 HA 0.04 0.10 0.73 -0.75 4.35 4.47 2oo6A1 LEU 337 HB2 -0.04 0.06 -0.05 -0.04 1.64 1.56 2oo6A1 LEU 337 HB3 0.01 0.09 0.10 -0.04 1.64 1.79 2oo6A1 LEU 337 HG 0.09 -0.06 -0.33 -0.04 1.64 1.29 2oo6A1 LEU 337 HD13 0.10 0.02 0.02 -0.04 0.93 1.02 2oo6A1 LEU 337 HD23 0.03 0.04 -0.04 -0.04 0.89 0.88 2oo6A1 ARG 338 H 0.13 0.62 0.22 -0.55 8.46 8.88 2oo6A1 ARG 338 HA 0.12 0.11 0.48 -0.75 4.34 4.29 2oo6A1 ARG 338 HB2 0.15 -0.05 -0.22 -0.04 1.90 1.74 2oo6A1 ARG 338 HB3 0.30 -0.04 -0.20 -0.04 1.80 1.82 2oo6A1 ARG 338 HG2 0.48 -0.08 -0.23 -0.04 1.67 1.80 2oo6A1 ARG 338 HG3 0.46 0.00 -0.39 -0.04 1.67 1.71 2oo6A1 ARG 338 HD2 0.11 0.06 0.02 -0.04 3.22 3.36 2oo6A1 ARG 338 HD3 0.07 -0.00 -0.10 -0.04 3.22 3.16 2oo6A1 ILE 339 H 0.22 0.31 0.11 -0.55 8.25 8.34 2oo6A1 ILE 339 HA 0.15 0.19 0.36 -0.75 4.18 4.12 2oo6A1 ILE 339 HB 0.29 0.23 -0.30 -0.04 1.89 2.07 2oo6A1 ILE 339 HG12 0.17 -0.09 -0.28 -0.04 1.49 1.25 2oo6A1 ILE 339 HG13 0.09 0.14 -0.22 -0.04 1.21 1.18 2oo6A1 ILE 339 HG23 0.32 -0.06 -0.42 -0.04 0.93 0.73 2oo6A1 ILE 339 HD13 -0.23 0.02 -0.31 -0.04 0.88 0.32 2oo6A1 MET 340 H 0.10 0.61 0.23 -0.55 8.47 8.87 2oo6A1 MET 340 HA 0.13 0.13 1.03 -0.75 4.52 5.05 2oo6A1 MET 340 HB2 0.10 0.02 -0.05 -0.04 2.15 2.19 2oo6A1 MET 340 HB3 0.06 0.09 -0.00 -0.04 2.03 2.14 2oo6A1 MET 340 HG2 -0.01 0.16 -0.29 -0.04 2.63 2.45 2oo6A1 MET 340 HG3 0.05 -0.11 0.02 -0.04 2.56 2.48 2oo6A1 MET 340 HE3 0.01 0.00 -0.06 -0.04 2.10 2.01 2oo6A1 GLU 341 H -0.03 0.26 0.11 -0.55 8.60 8.39 2oo6A1 GLU 341 HA -1.36 0.08 0.65 -0.75 4.29 2.91 2oo6A1 GLU 341 HB2 -0.13 0.04 0.05 -0.04 2.09 2.01 2oo6A1 GLU 341 HB3 -0.11 -0.11 0.10 -0.04 1.99 1.83 2oo6A1 GLU 341 HG2 -0.26 0.17 -0.21 -0.04 2.34 2.00 2oo6A1 GLU 341 HG3 -0.62 -0.01 -0.01 -0.04 2.34 1.66 2oo6A1 THR 342 H -0.52 0.58 0.39 -0.55 8.28 8.18 2oo6A1 THR 342 HA -0.12 0.10 0.34 -0.75 4.39 3.96 2oo6A1 THR 342 HB -0.03 0.10 -0.27 -0.04 4.32 4.07 2oo6A1 THR 342 HG23 -0.28 0.01 -0.32 -0.04 1.22 0.59 2oo6A1 ASP 343 H -0.06 0.18 0.07 -0.55 8.40 8.05 2oo6A1 ASP 343 HA -0.12 0.10 1.01 -0.75 4.63 4.86 2oo6A1 ASP 343 HB2 0.11 -0.01 0.08 -0.04 2.71 2.85 2oo6A1 ASP 343 HB3 0.13 0.16 -0.02 -0.04 2.70 2.93 2oo6A1 ILE 344 H -0.70 0.13 0.13 -0.55 8.25 7.27 2oo6A1 ILE 344 HA -0.62 0.17 0.61 -0.75 4.18 3.59 2oo6A1 ILE 344 HB -3.43 -0.02 0.07 -0.04 1.89 -1.53 2oo6A1 ILE 344 HG12 -1.20 -0.05 -0.18 -0.04 1.49 0.02 2oo6A1 ILE 344 HG13 -2.25 0.05 -0.09 -0.04 1.21 -1.13 2oo6A1 ILE 344 HG23 -1.33 0.02 -0.07 -0.04 0.93 -0.50 2oo6A1 ILE 344 HD13 -1.01 0.03 -0.25 -0.04 0.88 -0.39 2oo6A1 ASP 345 H -0.15 -0.01 0.01 -0.55 8.40 7.70 2oo6A1 ASP 345 HA 0.01 0.12 0.57 -0.75 4.63 4.57 2oo6A1 ASP 345 HB2 -0.20 -0.07 0.05 -0.04 2.71 2.45 2oo6A1 ASP 345 HB3 -0.61 0.05 -0.08 -0.04 2.70 2.02 2oo6A1 ARG 346 H 0.18 0.24 0.17 -0.55 8.46 8.50 2oo6A1 ARG 346 HA 0.25 0.12 0.86 -0.75 4.34 4.82 2oo6A1 ARG 346 HB2 0.05 -0.13 0.05 -0.04 1.90 1.83 2oo6A1 ARG 346 HB3 0.07 0.13 -0.22 -0.04 1.80 1.73 2oo6A1 ARG 346 HG2 0.08 0.03 0.03 -0.04 1.67 1.76 2oo6A1 ARG 346 HG3 0.06 0.12 -0.27 -0.04 1.67 1.53 2oo6A1 ARG 346 HD2 0.11 -0.13 -0.04 -0.04 3.22 3.12 2oo6A1 ARG 346 HD3 0.14 0.05 -0.04 -0.04 3.22 3.32 2oo6A1 LEU 347 H -0.01 0.07 0.07 -0.55 8.37 7.95 2oo6A1 LEU 347 HA -0.36 0.21 0.47 -0.75 4.35 3.92 2oo6A1 LEU 347 HB2 -0.82 -0.09 0.05 -0.04 1.64 0.73 2oo6A1 LEU 347 HB3 -1.85 -0.04 0.01 -0.04 1.64 -0.29 2oo6A1 LEU 347 HG -0.36 -0.00 0.02 -0.04 1.64 1.26 2oo6A1 LEU 347 HD13 -1.03 0.02 -0.04 -0.04 0.93 -0.16 2oo6A1 LEU 347 HD23 -0.85 0.05 -0.09 -0.04 0.89 -0.04 2oo6A1 ALA 348 H -0.16 0.23 0.20 -0.55 8.40 8.12 2oo6A1 ALA 348 HA 0.06 0.14 0.36 -0.75 4.34 4.15 2oo6A1 ALA 348 HB3 0.26 0.03 0.13 -0.04 1.41 1.79 2oo6A1 TRP 349 H -0.36 0.02 -0.35 -0.55 7.97 6.74 2oo6A1 TRP 349 HA -0.03 0.23 0.76 -0.75 4.62 4.83 2oo6A1 TRP 349 HB2 -0.32 0.02 0.08 -0.04 3.23 2.98 2oo6A1 TRP 349 HB3 -0.07 0.05 -0.05 -0.04 3.23 3.12 2oo6A1 TRP 349 HD1 -0.74 -0.02 -0.11 -0.04 7.22 6.31 2oo6A1 TRP 349 HE1 -0.42 0.44 0.02 -0.04 10.20 10.19 2oo6A1 TRP 349 HE3 -0.02 -0.03 -0.00 -0.04 7.59 7.49 2oo6A1 TRP 349 HZ2 -0.36 -0.20 -0.29 -0.04 7.44 6.55 2oo6A1 TRP 349 HZ3 0.12 0.08 0.02 -0.04 7.13 7.30 2oo6A1 TRP 349 HH2 -0.09 -0.00 -0.06 -0.04 7.19 7.00 2oo6A1 GLU 350 H -0.25 0.61 -0.40 -0.55 8.60 8.02 2oo6A1 GLU 350 HA -0.20 -0.01 0.23 -0.75 4.29 3.55 2oo6A1 GLU 350 HB2 -0.25 -0.09 0.11 -0.04 2.09 1.81 2oo6A1 GLU 350 HB3 -0.10 0.13 0.07 -0.04 1.99 2.05 2oo6A1 GLU 350 HG2 -0.46 0.10 -0.02 -0.04 2.34 1.91 2oo6A1 GLU 350 HG3 -0.82 0.00 -0.16 -0.04 2.34 1.32 2oo6A1 ASP 351 H 0.07 0.21 -0.17 -0.55 8.40 7.96 2oo6A1 ASP 351 HA 0.31 0.04 0.22 -0.75 4.63 4.44 2oo6A1 ASP 351 HB2 0.11 0.02 0.03 -0.04 2.71 2.83 2oo6A1 ASP 351 HB3 0.12 0.07 -0.04 -0.04 2.70 2.81 2oo6A1 GLU 352 H 0.09 0.09 -0.36 -0.55 8.60 7.87 2oo6A1 GLU 352 HA 0.05 0.06 0.38 -0.75 4.29 4.03 2oo6A1 GLU 352 HB2 0.13 -0.05 0.07 -0.04 2.09 2.20 2oo6A1 GLU 352 HB3 0.13 0.20 0.02 -0.04 1.99 2.30 2oo6A1 GLU 352 HG2 0.09 -0.06 -0.07 -0.04 2.34 2.27 2oo6A1 GLU 352 HG3 0.09 -0.01 0.02 -0.04 2.34 2.40 2oo6A1 LEU 353 H -0.02 0.40 -0.35 -0.55 8.37 7.85 2oo6A1 LEU 353 HA -0.23 0.02 0.35 -0.75 4.35 3.73 2oo6A1 LEU 353 HB2 -0.56 0.08 0.05 -0.04 1.64 1.17 2oo6A1 LEU 353 HB3 -0.75 -0.16 0.05 -0.04 1.64 0.74 2oo6A1 LEU 353 HG 0.03 0.23 -0.03 -0.04 1.64 1.83 2oo6A1 LEU 353 HD13 0.12 -0.03 -0.05 -0.04 0.93 0.93 2oo6A1 LEU 353 HD23 0.02 -0.02 -0.19 -0.04 0.89 0.67 2oo6A1 PHE 354 H 0.06 0.53 -0.33 -0.55 8.34 8.05 2oo6A1 PHE 354 HA -0.17 0.21 0.96 -0.75 4.62 4.87 2oo6A1 PHE 354 HB2 0.13 0.13 -0.09 -0.04 3.15 3.28 2oo6A1 PHE 354 HB3 -0.00 -0.08 -0.08 -0.04 3.06 2.85 2oo6A1 PHE 354 HD2 -0.11 0.18 -0.23 -0.04 7.28 7.08 2oo6A1 PHE 354 HE2 -0.05 0.02 -0.03 -0.04 7.38 7.28 2oo6A1 PHE 354 HZ -0.03 -0.05 -0.02 -0.04 7.32 7.18 2oo6A1 THR 355 H 0.01 0.45 0.27 -0.55 8.28 8.46 2oo6A1 THR 355 HA -0.13 0.12 0.45 -0.75 4.39 4.08 2oo6A1 THR 355 HB -0.33 0.05 0.05 -0.04 4.32 4.04 2oo6A1 THR 355 HG23 -0.07 0.05 0.02 -0.04 1.22 1.17 2oo6A1 HIS 356 H 0.08 -0.04 -0.03 -0.55 8.41 7.88 2oo6A1 HIS 356 HA 0.01 0.21 0.89 -0.75 4.63 4.98 2oo6A1 HIS 356 HB2 -0.01 0.03 0.14 -0.04 3.26 3.39 2oo6A1 HIS 356 HB3 -0.03 0.09 0.02 -0.04 3.20 3.23 2oo6A1 HIS 356 HD2 0.03 -0.15 -0.13 -0.04 6.97 6.67 2oo6A1 HIS 356 HE1 0.01 -0.00 -0.03 -0.04 7.75 7.69 2oo6A1 ALA 357 H 0.02 0.19 0.11 -0.55 8.40 8.17 2oo6A1 ALA 357 HA -0.57 0.10 0.85 -0.75 4.34 3.96 2oo6A1 ALA 357 HB3 -0.12 0.02 0.03 -0.04 1.41 1.29 2oo6A1 PRO 358 HA -0.25 0.11 0.48 -0.51 4.44 4.28 2oo6A1 PRO 358 HB2 -0.54 0.05 -0.13 -0.04 2.28 1.62 2oo6A1 PRO 358 HB3 -0.25 0.03 0.02 -0.04 2.02 1.78 2oo6A1 PRO 358 HG2 -0.12 0.06 0.04 -0.04 2.03 1.97 2oo6A1 PRO 358 HG3 -0.12 -0.03 0.04 -0.04 2.03 1.87 2oo6A1 PRO 358 HD2 -1.33 0.06 0.21 -0.04 3.68 2.58 2oo6A1 PRO 358 HD3 -0.62 0.10 0.12 -0.04 3.65 3.21 2oo6A1 GLU 359 H -0.31 0.24 0.21 -0.55 8.60 8.20 2oo6A1 GLU 359 HA -0.15 0.00 0.96 -0.75 4.29 4.34 2oo6A1 GLU 359 HB2 -0.12 0.00 0.13 -0.04 2.09 2.06 2oo6A1 GLU 359 HB3 -0.08 0.00 -0.02 -0.04 1.99 1.85 2oo6A1 GLU 359 HG2 -0.05 0.01 -0.04 -0.04 2.34 2.23 2oo6A1 GLU 359 HG3 -0.09 0.13 -0.24 -0.04 2.34 2.11 2oo6A1 TYR 360 H 0.07 0.24 0.16 -0.55 8.29 8.21 2oo6A1 TYR 360 HA -0.01 0.36 1.07 -0.75 4.56 5.23 2oo6A1 TYR 360 HB2 0.04 -0.01 0.00 -0.04 3.06 3.05 2oo6A1 TYR 360 HB3 0.03 0.01 -0.13 -0.04 2.98 2.85 2oo6A1 TYR 360 HD2 0.04 0.04 -0.30 -0.04 7.15 6.90 2oo6A1 TYR 360 HE2 -0.04 0.03 -0.18 -0.04 6.85 6.62 2oo6A1 GLN 361 H 0.05 0.77 0.24 -0.55 8.47 8.99 2oo6A1 GLN 361 HA -0.02 0.10 0.63 -0.75 4.36 4.31 2oo6A1 GLN 361 HB2 -0.01 0.02 -0.11 -0.04 2.15 2.01 2oo6A1 GLN 361 HB3 -0.01 0.02 0.01 -0.04 2.02 2.00 2oo6A1 GLN 361 HG2 -0.03 0.03 -0.17 -0.04 2.40 2.19 2oo6A1 GLN 361 HG3 -0.02 -0.02 0.08 -0.04 2.39 2.38 2oo6A1 GLN 361 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.89 2oo6A1 GLN 361 HE22 -0.01 0.01 0.02 -0.04 7.69 7.66 2oo6A1 ASN 362 H -0.10 0.18 0.10 -0.55 8.53 8.16 2oo6A1 ASN 362 HA -0.12 0.07 0.37 -0.75 4.76 4.32 2oo6A1 ASN 362 HB2 -0.05 -0.05 -0.03 -0.04 2.88 2.71 2oo6A1 ASN 362 HB3 -0.04 0.10 -0.02 -0.04 2.79 2.79 2oo6A1 ASN 362 HD21 -0.02 0.01 0.03 -0.04 7.03 7.01 2oo6A1 ASN 362 HD22 -0.02 -0.02 0.03 -0.04 7.74 7.68 2oo6A1 GLY 363 H -0.34 0.01 -0.23 -0.55 8.43 7.32 2oo6A1 GLY 363 HA2 -0.38 -0.10 0.23 -0.51 4.01 3.25 2oo6A1 GLY 363 HA3 -0.12 0.18 0.46 -0.51 4.01 4.03 2oo6A1 GLU 364 H 0.01 0.38 -0.44 -0.55 8.60 8.00 2oo6A1 GLU 364 HA 0.10 0.19 0.96 -0.75 4.29 4.79 2oo6A1 GLU 364 HB2 0.02 -0.01 -0.11 -0.04 2.09 1.95 2oo6A1 GLU 364 HB3 0.03 -0.06 -0.26 -0.04 1.99 1.66 2oo6A1 GLU 364 HG2 0.03 0.01 -0.23 -0.04 2.34 2.11 2oo6A1 GLU 364 HG3 0.00 0.23 -0.21 -0.04 2.34 2.32 2oo6A1 LEU 365 H 0.11 0.71 0.24 -0.55 8.37 8.88 2oo6A1 LEU 365 HA -0.13 0.13 0.78 -0.75 4.35 4.38 2oo6A1 LEU 365 HB2 0.12 -0.05 -0.03 -0.04 1.64 1.64 2oo6A1 LEU 365 HB3 0.04 0.03 0.10 -0.04 1.64 1.77 2oo6A1 LEU 365 HG -0.09 0.09 -0.42 -0.04 1.64 1.17 2oo6A1 LEU 365 HD13 -0.47 0.02 -0.03 -0.04 0.93 0.41 2oo6A1 LEU 365 HD23 -0.00 -0.02 -0.10 -0.04 0.89 0.72 2oo6A1 ILE 366 H -0.16 0.67 0.35 -0.55 8.25 8.56 2oo6A1 ILE 366 HA -0.04 0.15 0.80 -0.75 4.18 4.34 2oo6A1 ILE 366 HB -0.09 -0.09 0.13 -0.04 1.89 1.80 2oo6A1 ILE 366 HG12 -0.03 0.04 -0.08 -0.04 1.49 1.38 2oo6A1 ILE 366 HG13 -0.05 0.00 -0.10 -0.04 1.21 1.02 2oo6A1 ILE 366 HG23 -0.03 0.02 -0.13 -0.04 0.93 0.74 2oo6A1 ILE 366 HD13 -0.03 -0.03 -0.16 -0.04 0.88 0.62 2oo6A1 ILE 367 H -0.02 0.55 0.27 -0.55 8.25 8.50 2oo6A1 ILE 367 HA 0.02 0.03 0.57 -0.75 4.18 4.04 2oo6A1 ILE 367 HB -0.02 0.07 0.17 -0.04 1.89 2.07 2oo6A1 ILE 367 HG12 0.04 0.00 -0.10 -0.04 1.49 1.39 2oo6A1 ILE 367 HG13 -0.00 -0.05 -0.20 -0.04 1.21 0.92 2oo6A1 ILE 367 HG23 0.13 0.02 -0.08 -0.04 0.93 0.96 2oo6A1 ILE 367 HD13 -0.04 -0.04 -0.33 -0.04 0.88 0.42 2oo6A1 PRO 368 HA 0.00 0.07 0.45 -0.51 4.44 4.46 2oo6A1 PRO 368 HB2 -0.03 -0.12 0.07 -0.04 2.28 2.16 2oo6A1 PRO 368 HB3 -0.05 0.04 0.11 -0.04 2.02 2.08 2oo6A1 PRO 368 HG2 0.08 0.06 0.06 -0.04 2.03 2.19 2oo6A1 PRO 368 HG3 0.01 0.00 0.12 -0.04 2.03 2.13 2oo6A1 PRO 368 HD2 0.08 0.04 0.23 -0.04 3.68 3.99 2oo6A1 PRO 368 HD3 -0.02 0.21 0.28 -0.04 3.65 4.08 2oo6A1 ASP 369 H -0.00 0.10 0.08 -0.55 8.40 8.03 2oo6A1 ASP 369 HA 0.05 0.22 0.80 -0.75 4.63 4.94 2oo6A1 ASP 369 HB2 0.08 0.00 0.17 -0.04 2.71 2.92 2oo6A1 ASP 369 HB3 0.14 0.09 -0.08 -0.04 2.70 2.80 2oo6A1 ARG 370 H -0.04 0.05 -0.13 -0.55 8.46 7.79 2oo6A1 ARG 370 HA -0.04 0.19 0.64 -0.75 4.34 4.37 2oo6A1 ARG 370 HB2 -0.05 -0.08 -0.12 -0.04 1.90 1.60 2oo6A1 ARG 370 HB3 -0.04 0.07 -0.00 -0.04 1.80 1.78 2oo6A1 ARG 370 HG2 -0.11 0.05 -0.05 -0.04 1.67 1.52 2oo6A1 ARG 370 HG3 -0.13 -0.15 -0.01 -0.04 1.67 1.34 2oo6A1 ARG 370 HD2 -0.34 0.07 -0.06 -0.04 3.22 2.85 2oo6A1 ARG 370 HD3 -0.34 -0.01 -0.06 -0.04 3.22 2.77 2oo6A1 PRO 371 HA -0.10 0.11 -0.21 -0.51 4.44 3.73 2oo6A1 PRO 371 HB2 -0.02 -0.05 -0.02 -0.04 2.28 2.15 2oo6A1 PRO 371 HB3 -0.05 0.04 -0.05 -0.04 2.02 1.92 2oo6A1 PRO 371 HG2 -0.01 0.04 0.02 -0.04 2.03 2.03 2oo6A1 PRO 371 HG3 -0.04 0.15 -0.16 -0.04 2.03 1.94 2oo6A1 PRO 371 HD2 -0.01 0.03 0.11 -0.04 3.68 3.77 2oo6A1 PRO 371 HD3 -0.03 0.17 0.13 -0.04 3.65 3.88 2oo6A1 GLY 372 H -0.16 0.56 0.18 -0.55 8.43 8.46 2oo6A1 GLY 372 HA2 -0.32 0.03 0.42 -0.51 4.01 3.64 2oo6A1 GLY 372 HA3 -0.10 0.07 0.69 -0.51 4.01 4.16 2oo6A1 TRP 373 H 0.00 0.14 0.23 -0.55 7.97 7.79 2oo6A1 TRP 373 HA 0.04 0.05 0.40 -0.75 4.62 4.36 2oo6A1 TRP 373 HB2 0.09 0.03 0.16 -0.04 3.23 3.47 2oo6A1 TRP 373 HB3 0.06 -0.03 -0.09 -0.04 3.23 3.14 2oo6A1 TRP 373 HD1 0.18 0.07 0.20 -0.04 7.22 7.63 2oo6A1 TRP 373 HE1 0.14 0.32 0.20 -0.04 10.20 10.81 2oo6A1 TRP 373 HE3 0.08 0.10 0.06 -0.04 7.59 7.80 2oo6A1 TRP 373 HZ2 0.10 -0.03 0.20 -0.04 7.44 7.67 2oo6A1 TRP 373 HZ3 0.14 0.04 -0.00 -0.04 7.13 7.26 2oo6A1 TRP 373 HH2 0.13 -0.07 0.02 -0.04 7.19 7.23 2oo6A1 GLY 374 H 0.17 0.09 -0.21 -0.55 8.43 7.93 2oo6A1 GLY 374 HA2 0.02 0.04 0.11 -0.51 4.01 3.67 2oo6A1 GLY 374 HA3 0.07 0.23 0.78 -0.51 4.01 4.57 2oo6A1 THR 375 H 0.19 0.17 0.04 -0.55 8.28 8.14 2oo6A1 THR 375 HA 0.24 0.11 0.41 -0.75 4.39 4.39 2oo6A1 THR 375 HB 0.05 0.20 -0.25 -0.04 4.32 4.29 2oo6A1 THR 375 HG23 -0.06 -0.04 -0.33 -0.04 1.22 0.75 2oo6A1 ASP 376 H 0.07 0.12 0.19 -0.55 8.40 8.24 2oo6A1 ASP 376 HA -0.22 0.19 0.92 -0.75 4.63 4.77 2oo6A1 ASP 376 HB2 -0.04 -0.05 0.10 -0.04 2.71 2.67 2oo6A1 ASP 376 HB3 -0.25 0.17 0.04 -0.04 2.70 2.62 2oo6A1 PRO 377 HA -0.77 0.30 0.66 -0.51 4.44 4.11 2oo6A1 PRO 377 HB2 -1.86 -0.00 -0.10 -0.04 2.28 0.28 2oo6A1 PRO 377 HB3 -1.59 0.03 0.00 -0.04 2.02 0.43 2oo6A1 PRO 377 HG2 -0.96 0.06 0.01 -0.04 2.03 1.10 2oo6A1 PRO 377 HG3 -0.42 -0.06 -0.01 -0.04 2.03 1.50 2oo6A1 PRO 377 HD2 -2.67 0.14 0.19 -0.04 3.68 1.30 2oo6A1 PRO 377 HD3 -0.46 0.14 0.13 -0.04 3.65 3.42 2oo6A1 VAL 378 H -0.52 0.68 0.24 -0.55 8.24 8.10 2oo6A1 VAL 378 HA -0.19 0.12 0.76 -0.75 4.13 4.07 2oo6A1 VAL 378 HB -0.17 0.05 0.11 -0.04 2.12 2.06 2oo6A1 VAL 378 HG13 -0.07 -0.06 -0.05 -0.04 0.97 0.75 2oo6A1 VAL 378 HG23 -0.14 0.05 -0.30 -0.04 0.95 0.52 2oo6A1 GLU 379 H -0.04 0.25 0.09 -0.55 8.60 8.35 2oo6A1 GLU 379 HA -0.03 0.05 0.22 -0.75 4.29 3.77 2oo6A1 GLU 379 HB2 0.05 -0.00 0.10 -0.04 2.09 2.19 2oo6A1 GLU 379 HB3 0.06 0.05 -0.03 -0.04 1.99 2.02 2oo6A1 GLU 379 HG2 0.18 0.04 -0.03 -0.04 2.34 2.49 2oo6A1 GLU 379 HG3 0.29 -0.02 -0.05 -0.04 2.34 2.51 2oo6A1 GLU 380 H -0.03 0.10 -0.14 -0.55 8.60 7.99 2oo6A1 GLU 380 HA -0.02 0.10 0.34 -0.75 4.29 3.95 2oo6A1 GLU 380 HB2 -0.02 -0.00 0.07 -0.04 2.09 2.10 2oo6A1 GLU 380 HB3 -0.03 0.02 0.01 -0.04 1.99 1.96 2oo6A1 GLU 380 HG2 -0.03 0.03 -0.09 -0.04 2.34 2.20 2oo6A1 GLU 380 HG3 -0.02 0.01 0.02 -0.04 2.34 2.31 2oo6A1 ALA 381 H -0.06 0.08 -0.29 -0.55 8.40 7.58 2oo6A1 ALA 381 HA 0.00 0.07 0.40 -0.75 4.34 4.06 2oo6A1 ALA 381 HB3 -0.03 0.02 -0.02 -0.04 1.41 1.34 2oo6A1 ILE 382 H -0.10 0.56 -0.08 -0.55 8.25 8.07 2oo6A1 ILE 382 HA 0.00 -0.00 0.39 -0.75 4.18 3.82 2oo6A1 ILE 382 HB -0.06 0.12 0.07 -0.04 1.89 1.98 2oo6A1 ILE 382 HG12 -0.15 -0.07 -0.10 -0.04 1.49 1.13 2oo6A1 ILE 382 HG13 -0.32 0.11 -0.03 -0.04 1.21 0.92 2oo6A1 ILE 382 HG23 0.05 -0.03 -0.28 -0.04 0.93 0.63 2oo6A1 ILE 382 HD13 -0.47 -0.05 -0.24 -0.04 0.88 0.09 2oo6A1 LEU 383 H -0.03 0.43 -0.26 -0.55 8.37 7.97 2oo6A1 LEU 383 HA -0.03 0.06 0.44 -0.75 4.35 4.06 2oo6A1 LEU 383 HB2 -0.03 0.09 0.12 -0.04 1.64 1.77 2oo6A1 LEU 383 HB3 -0.03 -0.03 0.07 -0.04 1.64 1.61 2oo6A1 LEU 383 HG 0.00 0.03 0.02 -0.04 1.64 1.65 2oo6A1 LEU 383 HD13 0.00 -0.02 -0.04 -0.04 0.93 0.83 2oo6A1 LEU 383 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.84 2oo6A1 ALA 384 H -0.07 0.31 -0.25 -0.55 8.40 7.84 2oo6A1 ALA 384 HA -0.19 0.03 0.57 -0.75 4.34 4.00 2oo6A1 ALA 384 HB3 -0.22 -0.00 0.12 -0.04 1.41 1.26 2oo6A1 HIS 385 H -0.06 0.33 -0.66 -0.55 8.41 7.48 2oo6A1 HIS 385 HA -0.26 0.17 0.89 -0.75 4.63 4.68 2oo6A1 HIS 385 HB2 -0.09 0.01 0.18 -0.04 3.26 3.32 2oo6A1 HIS 385 HB3 -0.28 -0.11 0.18 -0.04 3.20 2.94 2oo6A1 HIS 385 HD2 -0.06 0.19 -0.10 -0.04 6.97 6.96 2oo6A1 HIS 385 HE1 -0.50 -0.05 -0.04 -0.04 7.75 7.12 2oo6A1 PRO 386 HA -0.05 0.09 0.47 -0.51 4.44 4.44 2oo6A1 PRO 386 HB2 -0.06 0.06 0.02 -0.04 2.28 2.25 2oo6A1 PRO 386 HB3 -0.06 0.01 0.13 -0.04 2.02 2.07 2oo6A1 PRO 386 HG2 -0.11 -0.03 0.06 -0.04 2.03 1.91 2oo6A1 PRO 386 HG3 -0.10 0.02 0.05 -0.04 2.03 1.96 2oo6A1 PRO 386 HD2 -0.20 0.19 -0.08 -0.04 3.68 3.55 2oo6A1 PRO 386 HD3 -0.13 0.35 -0.15 -0.04 3.65 3.68 2oo6A1 PRO 387 HA -0.10 -0.03 0.23 -0.51 4.44 4.03 2oo6A1 PRO 387 HB2 -0.09 0.14 -0.10 -0.04 2.28 2.18 2oo6A1 PRO 387 HB3 -0.14 -0.10 -0.18 -0.04 2.02 1.56 2oo6A1 PRO 387 HG2 -0.04 0.04 -0.07 -0.04 2.03 1.91 2oo6A1 PRO 387 HG3 -0.06 -0.03 -0.06 -0.04 2.03 1.84 2oo6A1 PRO 387 HD2 -0.04 0.09 0.20 -0.04 3.68 3.89 2oo6A1 PRO 387 HD3 -0.04 0.32 0.17 -0.04 3.65 4.06 2oo6A1 LYS 388 H -0.09 0.01 0.02 -0.55 8.42 7.80 2oo6A1 LYS 388 HA -0.03 0.21 0.76 -0.75 4.32 4.50 2oo6A1 LYS 388 HB2 -0.05 -0.07 -0.11 -0.04 1.87 1.60 2oo6A1 LYS 388 HB3 -0.01 0.08 -0.01 -0.04 1.79 1.81 2oo6A1 LYS 388 HG2 -0.02 0.04 -0.02 -0.04 1.46 1.42 2oo6A1 LYS 388 HG3 -0.05 -0.02 -0.17 -0.04 1.46 1.17 2oo6A1 LYS 388 HD2 -0.02 -0.01 -0.06 -0.04 1.69 1.56 2oo6A1 LYS 388 HD3 0.03 0.03 -0.01 -0.04 1.68 1.69 2oo6A1 LYS 388 HE2 0.03 0.01 -0.00 -0.04 2.99 2.98 2oo6A1 LYS 388 HE3 -0.03 -0.03 -0.01 -0.04 2.99 2.87 2oo6A1 VAL 389 H -0.01 0.17 0.02 -0.55 8.24 7.87 2oo6A1 VAL 389 HA 0.00 0.16 0.54 -0.75 4.13 4.08 2oo6A1 VAL 389 HB 0.00 0.02 0.10 -0.04 2.12 2.20 2oo6A1 VAL 389 HG13 0.01 0.01 0.04 -0.04 0.97 0.99 2oo6A1 VAL 389 HG23 -0.00 0.01 -0.07 -0.04 0.95 0.84 2oo6A1 GLY 391 HA2 0.07 0.14 0.24 -0.51 4.01 3.95 2oo6A1 GLY 391 HA3 -0.01 -0.22 0.18 -0.51 4.01 3.45 2oo6A1 GLY 392 H 0.11 0.43 0.32 -0.55 8.43 8.73 2oo6A1 GLY 392 HA2 0.29 -0.02 0.31 -0.51 4.01 4.07 2oo6A1 GLY 392 HA3 0.16 -0.18 0.43 -0.51 4.01 3.92 2oo6A1 LEU 393 H 0.18 0.53 0.36 -0.55 8.37 8.90 2oo6A1 LEU 393 HA 0.14 0.07 0.36 -0.75 4.35 4.17 2oo6A1 LEU 393 HB2 -0.01 -0.08 0.20 -0.04 1.64 1.70 2oo6A1 LEU 393 HB3 -0.06 0.10 0.12 -0.04 1.64 1.76 2oo6A1 LEU 393 HG 0.15 -0.08 0.19 -0.04 1.64 1.85 2oo6A1 LEU 393 HD13 -0.78 -0.00 -0.06 -0.04 0.93 0.05 2oo6A1 LEU 393 HD23 -0.02 0.00 -0.02 -0.04 0.89 0.81 2oo6A1 LEU 394 H 0.08 0.09 -0.19 -0.55 8.37 7.81 2oo6A1 LEU 394 HA 0.05 0.17 0.48 -0.75 4.35 4.29 2oo6A1 LEU 394 HB2 0.05 0.07 0.06 -0.04 1.64 1.78 2oo6A1 LEU 394 HB3 0.03 0.00 0.03 -0.04 1.64 1.67 2oo6A1 LEU 394 HG 0.03 0.05 -0.10 -0.04 1.64 1.57 2oo6A1 LEU 394 HD13 0.03 -0.03 -0.01 -0.04 0.93 0.88 2oo6A1 LEU 394 HD23 0.02 -0.00 -0.02 -0.04 0.89 0.84