============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 10 1.000 -42.442 -29.667 -31.784 -99.200 -91.000 TYR 11 0.840 -37.729 -32.260 -38.726 -99.200 -91.000 PHE 17 1.000 -38.733 -20.624 -38.842 -99.200 -91.000 PHE 20 1.000 -40.010 -17.154 -30.960 -99.200 -91.000 TYR 23 0.840 -43.770 -24.261 -34.885 -99.200 -91.000 TYR 26 0.840 -48.056 -27.264 -33.393 -99.200 -91.000 HIS 33 0.900 -45.639 -27.518 -21.992 -99.200 -91.000 TRP 46 1.040 -35.520 -18.335 -41.909 -99.200 -91.000 TRP6 46 1.020 -33.982 -18.743 -40.159 -99.200 -91.000 TYR 52 0.840 -23.346 -17.699 -40.970 -99.200 -91.000 PHE 75 1.000 -16.187 -33.476 -13.379 -99.200 -91.000 TYR 78 0.840 -13.389 -22.583 -9.532 -99.200 -91.000 PHE 90 1.000 -12.977 -19.267 -29.937 -99.200 -91.000 TYR 99 0.840 -6.276 -25.071 -26.664 -99.200 -91.000 TYR 104 0.840 -17.257 -38.020 -32.641 -99.200 -91.000 PHE 107 1.000 -23.493 -37.400 -28.134 -99.200 -91.000 TYR 114 0.840 -18.087 -32.334 -21.587 -99.200 -91.000 TRP 115 1.040 -20.047 -36.124 -19.446 -99.200 -91.000 TRP6 115 1.020 -20.365 -34.326 -17.934 -99.200 -91.000 PHE 120 1.000 -7.414 -34.892 -17.429 -99.200 -91.000 TYR 125 0.840 -18.817 -21.265 -24.831 -99.200 -91.000 TYR 134 0.840 -31.341 -14.369 -36.822 -99.200 -91.000 HIS 137 0.900 -33.037 -9.920 -45.626 -99.200 -91.000 TRP 141 1.040 -39.172 -18.911 -35.633 -99.200 -91.000 TRP6 141 1.020 -38.789 -20.661 -34.088 -99.200 -91.000 TYR 168 0.840 -24.848 -11.862 -23.789 -99.200 -91.000 TYR 170 0.840 -23.539 -17.719 -25.585 -99.200 -91.000 PHE 171 1.000 -18.112 -15.998 -32.527 -99.200 -91.000 TRP 174 1.040 -12.503 -31.578 -27.450 -99.200 -91.000 TRP6 174 1.020 -14.426 -32.873 -26.969 -99.200 -91.000 PHE 178 1.000 -24.937 -25.586 -22.767 -99.200 -91.000 TRP 180 1.040 -26.411 -30.091 -14.958 -99.200 -91.000 TRP6 180 1.020 -28.247 -30.731 -16.267 -99.200 -91.000 HIS 181 0.900 -27.946 -22.407 -17.916 -99.200 -91.000 TYR 188 0.840 -41.257 -19.925 -22.640 -99.200 -91.000 TYR 192 0.840 -29.843 -20.461 -36.763 -99.200 -91.000 HIS 194 0.900 -26.215 -17.232 -36.601 -99.200 -91.000 PHE 195 1.000 -19.870 -19.913 -38.056 -99.200 -91.000 TRP 201 1.040 -28.302 -27.948 -26.542 -99.200 -91.000 TRP6 201 1.020 -28.978 -25.890 -25.626 -99.200 -91.000 TYR 202 0.840 -25.605 -34.298 -21.169 -99.200 -91.000 HIS 208 0.900 -39.547 -35.471 -12.633 -99.200 -91.000 PHE 219 1.000 -24.708 -35.341 -6.011 -99.200 -91.000 PHE 220 1.000 -21.281 -29.706 -6.619 -99.200 -91.000 PHE 230 1.000 -25.282 -24.978 -5.524 -99.200 -91.000 HIS 233 0.900 -23.283 -18.648 -7.210 -99.200 -91.000 TYR 246 0.840 -26.618 -40.181 -6.015 -99.200 -91.000 PHE 250 1.000 -29.909 -37.995 -18.010 -99.200 -91.000 PHE 260 1.000 -34.013 -20.886 -34.969 -99.200 -91.000 PHE 264 1.000 -40.386 -25.350 -24.129 -99.200 -91.000 TYR 266 0.840 -37.553 -24.938 -11.488 -99.200 -91.000 TYR 268 0.840 -32.244 -26.262 -12.481 -99.200 -91.000 HIS 269 0.900 -30.854 -24.633 -20.292 -99.200 -91.000 PHE 272 1.000 -20.502 -32.528 -24.920 -99.200 -91.000 HIS 274 0.900 -20.765 -32.733 -30.660 -99.200 -91.000 PHE 276 1.000 -14.909 -21.611 -35.530 -99.200 -91.000 PHE 284 1.000 -38.892 -17.787 -26.184 -99.200 -91.000 TRP 289 1.040 -40.942 -15.628 -17.328 -99.200 -91.000 TRP6 289 1.020 -41.326 -13.304 -17.209 -99.200 -91.000 TYR 292 0.840 -42.862 -21.765 -14.886 -99.200 -91.000 PHE 313 1.000 -43.502 -8.854 -17.930 -99.200 -91.000 PHE 317 1.000 -49.661 -9.728 -20.508 -99.200 -91.000 TYR 322 0.840 -50.537 -4.538 -9.006 -99.200 -91.000 TRP 325 1.040 -47.035 -10.602 -7.028 -99.200 -91.000 TRP6 325 1.020 -46.256 -8.591 -7.989 -99.200 -91.000 HIS 336 0.900 -43.116 -26.721 -12.784 -99.200 -91.000 PHE 346 1.000 -51.605 -23.343 -32.618 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oq6A1 LEU 8 HA -0.01 -0.10 0.20 -0.75 4.35 3.68 2oq6A1 LEU 8 HB2 0.00 -0.04 0.04 -0.04 1.64 1.60 2oq6A1 LEU 8 HB3 -0.00 0.01 0.06 -0.04 1.64 1.66 2oq6A1 LEU 8 HG -0.01 -0.01 -0.38 -0.04 1.64 1.20 2oq6A1 LEU 8 HD13 -0.00 -0.01 0.03 -0.04 0.93 0.91 2oq6A1 LEU 8 HD23 0.02 0.08 0.02 -0.04 0.89 0.96 2oq6A1 ASN 9 H -0.02 0.07 0.10 -0.55 8.53 8.13 2oq6A1 ASN 9 HA -0.03 -0.07 0.33 -0.75 4.76 4.24 2oq6A1 ASN 9 HB2 -0.05 0.11 0.13 -0.04 2.88 3.03 2oq6A1 ASN 9 HB3 -0.11 0.21 0.40 -0.04 2.79 3.25 2oq6A1 ASN 9 HD21 -0.06 0.21 -0.07 -0.04 7.03 7.08 2oq6A1 ASN 9 HD22 -0.12 0.44 0.08 -0.04 7.74 8.09 2oq6A1 PRO 10 HA -0.02 0.16 0.23 -0.51 4.44 4.30 2oq6A1 PRO 10 HB2 -0.00 0.01 -0.03 -0.04 2.28 2.21 2oq6A1 PRO 10 HB3 -0.00 0.08 0.05 -0.04 2.02 2.10 2oq6A1 PRO 10 HG2 -0.01 -0.05 0.04 -0.04 2.03 1.98 2oq6A1 PRO 10 HG3 -0.01 0.05 0.04 -0.04 2.03 2.08 2oq6A1 PRO 10 HD2 -0.02 -0.01 0.16 -0.04 3.68 3.77 2oq6A1 PRO 10 HD3 -0.01 0.31 0.03 -0.04 3.65 3.93 2oq6A1 SER 11 H -0.01 0.03 -0.30 -0.55 8.46 7.63 2oq6A1 SER 11 HA 0.00 0.13 0.50 -0.75 4.49 4.37 2oq6A1 SER 11 HB2 -0.01 0.03 0.02 -0.04 3.95 3.95 2oq6A1 SER 11 HB3 -0.01 -0.01 0.04 -0.04 3.93 3.91 2oq6A1 ALA 12 H -0.03 0.50 -0.35 -0.55 8.40 7.97 2oq6A1 ALA 12 HA -0.05 0.06 0.15 -0.75 4.34 3.75 2oq6A1 ALA 12 HB3 0.02 0.07 -0.10 -0.04 1.41 1.35 2oq6A1 ARG 13 H -0.02 -0.08 -0.34 -0.55 8.46 7.47 2oq6A1 ARG 13 HA 0.00 0.15 0.57 -0.75 4.34 4.31 2oq6A1 ARG 13 HB2 -0.02 -0.07 -0.05 -0.04 1.90 1.72 2oq6A1 ARG 13 HB3 -0.01 0.04 -0.01 -0.04 1.80 1.78 2oq6A1 ARG 13 HG2 -0.01 0.01 -0.19 -0.04 1.67 1.43 2oq6A1 ARG 13 HG3 -0.02 -0.05 -0.03 -0.04 1.67 1.53 2oq6A1 ARG 13 HD2 -0.02 -0.05 0.01 -0.04 3.22 3.11 2oq6A1 ARG 13 HD3 -0.01 -0.04 0.05 -0.04 3.22 3.17 2oq6A1 ILE 14 H 0.02 0.08 0.12 -0.55 8.25 7.91 2oq6A1 ILE 14 HA 0.03 0.20 0.51 -0.75 4.18 4.17 2oq6A1 ILE 14 HB 0.02 -0.05 0.06 -0.04 1.89 1.88 2oq6A1 ILE 14 HG12 0.08 0.14 -0.10 -0.04 1.49 1.57 2oq6A1 ILE 14 HG13 0.07 -0.02 -0.00 -0.04 1.21 1.22 2oq6A1 ILE 14 HG23 0.00 0.03 -0.28 -0.04 0.93 0.64 2oq6A1 ILE 14 HD13 0.10 -0.00 -0.35 -0.04 0.88 0.58 2oq6A1 MET 15 H 0.05 0.22 0.31 -0.55 8.47 8.50 2oq6A1 MET 15 HA -0.12 0.12 0.78 -0.75 4.52 4.55 2oq6A1 MET 15 HB2 0.10 -0.06 0.08 -0.04 2.15 2.23 2oq6A1 MET 15 HB3 -0.42 0.01 0.04 -0.04 2.03 1.61 2oq6A1 MET 15 HG2 -0.07 -0.02 -0.12 -0.04 2.63 2.38 2oq6A1 MET 15 HG3 -0.01 0.21 -0.00 -0.04 2.56 2.72 2oq6A1 MET 15 HE3 -0.08 -0.00 0.01 -0.04 2.10 1.98 2oq6A1 THR 16 H -0.26 0.22 0.22 -0.55 8.28 7.91 2oq6A1 THR 16 HA -0.06 0.28 1.01 -0.75 4.39 4.87 2oq6A1 THR 16 HB -0.02 -0.03 0.08 -0.04 4.32 4.31 2oq6A1 THR 16 HG23 -0.19 -0.01 -0.15 -0.04 1.22 0.84 2oq6A1 PHE 17 H 0.05 0.50 0.31 -0.55 8.34 8.64 2oq6A1 PHE 17 HA 0.17 0.14 0.89 -0.75 4.62 5.07 2oq6A1 PHE 17 HB2 0.19 0.02 0.10 -0.04 3.15 3.41 2oq6A1 PHE 17 HB3 0.32 -0.04 -0.05 -0.04 3.06 3.25 2oq6A1 PHE 17 HD2 0.18 0.09 -0.10 -0.04 7.28 7.41 2oq6A1 PHE 17 HE2 -0.00 0.02 -0.10 -0.04 7.38 7.26 2oq6A1 PHE 17 HZ -0.06 0.05 -0.05 -0.04 7.32 7.21 2oq6A1 TYR 18 H 0.39 0.15 0.04 -0.55 8.29 8.31 2oq6A1 TYR 18 HA -0.02 0.41 0.90 -0.75 4.56 5.10 2oq6A1 TYR 18 HB2 0.02 -0.05 0.16 -0.04 3.06 3.15 2oq6A1 TYR 18 HB3 -0.02 0.01 0.08 -0.04 2.98 3.02 2oq6A1 TYR 18 HD2 -0.02 0.01 -0.12 -0.04 7.15 6.97 2oq6A1 TYR 18 HE2 -0.03 0.01 -0.10 -0.04 6.85 6.69 2oq6A1 PRO 19 HA 0.05 -0.02 0.48 -0.51 4.44 4.44 2oq6A1 PRO 19 HB2 -0.31 0.09 -0.08 -0.04 2.28 1.95 2oq6A1 PRO 19 HB3 -0.74 -0.00 -0.03 -0.04 2.02 1.21 2oq6A1 PRO 19 HG2 -0.49 0.03 -0.02 -0.04 2.03 1.50 2oq6A1 PRO 19 HG3 -0.61 0.02 -0.10 -0.04 2.03 1.30 2oq6A1 PRO 19 HD2 -0.20 0.48 0.05 -0.04 3.68 3.96 2oq6A1 PRO 19 HD3 0.03 0.01 -0.23 -0.04 3.65 3.42 2oq6A1 THR 20 H -0.01 0.07 0.20 -0.55 8.28 8.00 2oq6A1 THR 20 HA -0.04 0.20 0.74 -0.75 4.39 4.53 2oq6A1 THR 20 HB -0.00 -0.12 0.18 -0.04 4.32 4.34 2oq6A1 THR 20 HG23 0.00 0.06 0.10 -0.04 1.22 1.35 2oq6A1 MET 21 H -0.02 0.18 0.16 -0.55 8.47 8.24 2oq6A1 MET 21 HA -0.02 0.16 0.42 -0.75 4.52 4.32 2oq6A1 MET 21 HB2 0.01 0.02 0.11 -0.04 2.15 2.25 2oq6A1 MET 21 HB3 0.03 -0.02 0.10 -0.04 2.03 2.10 2oq6A1 MET 21 HG2 0.08 0.03 -0.03 -0.04 2.63 2.67 2oq6A1 MET 21 HG3 0.08 0.01 -0.18 -0.04 2.56 2.43 2oq6A1 MET 21 HE3 0.23 0.01 -0.07 -0.04 2.10 2.22 2oq6A1 GLU 22 H 0.02 0.05 -0.13 -0.55 8.60 7.99 2oq6A1 GLU 22 HA 0.04 0.12 0.43 -0.75 4.29 4.13 2oq6A1 GLU 23 H 0.01 -0.01 -0.26 -0.55 8.60 7.80 2oq6A1 GLU 23 HA 0.07 0.10 0.47 -0.75 4.29 4.18 2oq6A1 GLU 23 HB2 -0.02 -0.01 0.13 -0.04 2.09 2.15 2oq6A1 GLU 23 HB3 0.14 0.06 -0.02 -0.04 1.99 2.13 2oq6A1 GLU 23 HG2 0.00 0.07 0.02 -0.04 2.34 2.39 2oq6A1 GLU 23 HG3 0.02 -0.09 0.03 -0.04 2.34 2.26 2oq6A1 PHE 24 H 0.02 0.50 -0.26 -0.55 8.34 8.05 2oq6A1 PHE 24 HA -0.41 0.01 0.17 -0.75 4.62 3.63 2oq6A1 PHE 24 HB2 -0.40 0.14 -0.03 -0.04 3.15 2.82 2oq6A1 PHE 24 HB3 -0.28 0.05 0.05 -0.04 3.06 2.84 2oq6A1 PHE 24 HD2 -0.88 -0.02 -0.11 -0.04 7.28 6.23 2oq6A1 PHE 24 HE2 -2.56 0.02 -0.16 -0.04 7.38 4.64 2oq6A1 PHE 24 HZ -1.74 0.05 -0.13 -0.04 7.32 5.46 2oq6A1 ARG 25 H 0.06 0.28 -0.49 -0.55 8.46 7.75 2oq6A1 ARG 25 HA 0.00 -0.04 0.07 -0.75 4.34 3.62 2oq6A1 ARG 25 HB2 0.05 0.12 0.08 -0.04 1.90 2.11 2oq6A1 ARG 25 HB3 0.04 -0.04 -0.07 -0.04 1.80 1.69 2oq6A1 ARG 25 HG2 0.10 -0.08 0.00 -0.04 1.67 1.65 2oq6A1 ARG 25 HG3 0.08 0.26 0.05 -0.04 1.67 2.02 2oq6A1 ARG 25 HD2 0.05 -0.00 -0.01 -0.04 3.22 3.22 2oq6A1 ARG 25 HD3 0.06 -0.02 -0.03 -0.04 3.22 3.20 2oq6A1 ASN 26 H 0.04 0.26 -0.16 -0.55 8.53 8.12 2oq6A1 ASN 26 HA -0.03 0.15 0.91 -0.75 4.76 5.04 2oq6A1 ASN 26 HB2 0.02 0.06 0.08 -0.04 2.88 2.99 2oq6A1 ASN 26 HB3 0.04 0.01 0.19 -0.04 2.79 2.98 2oq6A1 ASN 26 HD21 -0.01 0.01 0.03 -0.04 7.03 7.01 2oq6A1 ASN 26 HD22 0.00 0.06 0.03 -0.04 7.74 7.79 2oq6A1 PHE 27 H -0.10 0.28 0.19 -0.55 8.34 8.15 2oq6A1 PHE 27 HA -0.73 0.16 0.24 -0.75 4.62 3.53 2oq6A1 PHE 27 HB2 -0.96 -0.00 0.17 -0.04 3.15 2.32 2oq6A1 PHE 27 HB3 -0.57 0.08 0.23 -0.04 3.06 2.76 2oq6A1 PHE 27 HD2 -2.15 0.04 -0.09 -0.04 7.28 5.04 2oq6A1 PHE 27 HE2 -1.62 -0.00 -0.13 -0.04 7.38 5.58 2oq6A1 PHE 27 HZ -2.07 0.04 -0.17 -0.04 7.32 5.08 2oq6A1 SER 28 H -0.16 0.22 0.03 -0.55 8.46 8.00 2oq6A1 SER 28 HA -0.57 0.04 0.39 -0.75 4.49 3.60 2oq6A1 SER 28 HB2 -0.11 0.03 0.12 -0.04 3.95 3.96 2oq6A1 SER 28 HB3 -0.13 -0.05 0.04 -0.04 3.93 3.75 2oq6A1 ARG 29 H -0.10 0.11 -0.29 -0.55 8.46 7.62 2oq6A1 ARG 29 HA 0.04 0.02 0.47 -0.75 4.34 4.12 2oq6A1 ARG 29 HB2 0.02 -0.06 0.08 -0.04 1.90 1.91 2oq6A1 ARG 29 HB3 0.07 0.23 0.09 -0.04 1.80 2.14 2oq6A1 ARG 29 HG2 0.37 0.03 -0.14 -0.04 1.67 1.89 2oq6A1 ARG 29 HG3 0.18 -0.03 0.06 -0.04 1.67 1.84 2oq6A1 ARG 29 HD2 0.03 -0.02 0.01 -0.04 3.22 3.20 2oq6A1 ARG 29 HD3 0.08 0.02 0.01 -0.04 3.22 3.29 2oq6A1 TYR 30 H -0.03 0.60 -0.10 -0.55 8.29 8.22 2oq6A1 TYR 30 HA -0.08 0.01 0.48 -0.75 4.56 4.23 2oq6A1 TYR 30 HB2 0.03 0.22 0.03 -0.04 3.06 3.30 2oq6A1 TYR 30 HB3 -0.04 0.04 -0.01 -0.04 2.98 2.93 2oq6A1 TYR 30 HD2 0.06 0.04 -0.15 -0.04 7.15 7.07 2oq6A1 TYR 30 HE2 -0.11 -0.02 -0.09 -0.04 6.85 6.59 2oq6A1 ILE 31 H -0.47 0.48 -0.16 -0.55 8.25 7.56 2oq6A1 ILE 31 HA -0.25 0.05 0.46 -0.75 4.18 3.69 2oq6A1 ILE 31 HB -0.47 0.05 0.12 -0.04 1.89 1.55 2oq6A1 ILE 31 HG12 -1.57 0.26 -0.01 -0.04 1.49 0.13 2oq6A1 ILE 31 HG13 -1.38 -0.06 -0.09 -0.04 1.21 -0.36 2oq6A1 ILE 31 HG23 -0.11 -0.02 -0.12 -0.04 0.93 0.63 2oq6A1 ILE 31 HD13 -0.54 0.00 -0.12 -0.04 0.88 0.19 2oq6A1 ALA 32 H -0.14 0.56 -0.12 -0.55 8.40 8.15 2oq6A1 ALA 32 HA -0.05 -0.10 0.37 -0.75 4.34 3.81 2oq6A1 ALA 32 HB3 0.11 0.03 -0.11 -0.04 1.41 1.39 2oq6A1 TYR 33 H -0.18 0.54 -0.16 -0.55 8.29 7.93 2oq6A1 TYR 33 HA -0.84 0.04 0.53 -0.75 4.56 3.54 2oq6A1 TYR 33 HB2 -1.48 -0.00 0.09 -0.04 3.06 1.63 2oq6A1 TYR 33 HB3 -0.98 0.13 0.16 -0.04 2.98 2.24 2oq6A1 TYR 33 HD2 -1.24 0.02 -0.06 -0.04 7.15 5.82 2oq6A1 TYR 33 HE2 -0.11 0.02 -0.06 -0.04 6.85 6.66 2oq6A1 ILE 34 H -0.53 0.60 -0.09 -0.55 8.25 7.69 2oq6A1 ILE 34 HA -0.92 0.06 0.34 -0.75 4.18 2.91 2oq6A1 ILE 34 HB -0.79 -0.04 -0.01 -0.04 1.89 1.01 2oq6A1 ILE 34 HG12 -0.19 0.12 0.15 -0.04 1.49 1.53 2oq6A1 ILE 34 HG13 0.08 -0.06 -0.17 -0.04 1.21 1.01 2oq6A1 ILE 34 HG23 -1.16 0.06 -0.04 -0.04 0.93 -0.26 2oq6A1 ILE 34 HD13 0.12 -0.01 -0.15 -0.04 0.88 0.80 2oq6A1 GLU 35 H -0.17 0.56 -0.20 -0.55 8.60 8.25 2oq6A1 GLU 35 HA 0.09 -0.14 0.55 -0.75 4.29 4.04 2oq6A1 GLU 35 HB2 -0.11 0.10 0.17 -0.04 2.09 2.21 2oq6A1 GLU 35 HB3 -0.38 -0.06 0.11 -0.04 1.99 1.63 2oq6A1 GLU 35 HG2 0.07 -0.07 -0.02 -0.04 2.34 2.28 2oq6A1 GLU 35 HG3 0.13 0.25 0.02 -0.04 2.34 2.70 2oq6A1 SER 36 H -0.22 0.48 -0.17 -0.55 8.46 8.00 2oq6A1 SER 36 HA -0.03 0.03 0.42 -0.75 4.49 4.15 2oq6A1 SER 36 HB2 0.02 0.01 0.02 -0.04 3.95 3.96 2oq6A1 SER 36 HB3 0.01 -0.04 0.15 -0.04 3.93 4.01 2oq6A1 GLN 37 H -0.31 0.25 -0.46 -0.55 8.47 7.41 2oq6A1 GLN 37 HA -0.08 0.15 0.77 -0.75 4.36 4.45 2oq6A1 GLN 37 HB2 -0.05 0.07 0.11 -0.04 2.15 2.23 2oq6A1 GLN 37 HB3 0.03 -0.06 0.14 -0.04 2.02 2.08 2oq6A1 GLN 37 HG2 -0.96 0.20 -0.02 -0.04 2.40 1.58 2oq6A1 GLN 37 HG3 -0.26 -0.09 -0.02 -0.04 2.39 1.98 2oq6A1 GLN 37 HE21 -0.02 0.02 -0.07 -0.04 6.97 6.86 2oq6A1 GLN 37 HE22 -0.31 -0.01 -0.24 -0.04 7.69 7.09 2oq6A1 GLY 38 H 0.03 0.55 -0.34 -0.55 8.43 8.13 2oq6A1 GLY 38 HA2 -0.07 0.11 0.26 -0.51 4.01 3.80 2oq6A1 GLY 38 HA3 -0.08 0.13 0.33 -0.51 4.01 3.88 2oq6A1 ALA 39 H 0.02 0.46 -0.08 -0.55 8.40 8.25 2oq6A1 ALA 39 HA 0.00 0.10 0.26 -0.75 4.34 3.95 2oq6A1 ALA 39 HB3 0.22 -0.02 -0.13 -0.04 1.41 1.43 2oq6A1 HIS 40 H -0.10 0.08 -0.25 -0.55 8.41 7.60 2oq6A1 HIS 40 HA -2.24 0.01 0.30 -0.75 4.63 1.94 2oq6A1 HIS 40 HB2 -0.44 0.05 -0.04 -0.04 3.26 2.79 2oq6A1 HIS 40 HB3 -0.73 -0.11 -0.01 -0.04 3.20 2.31 2oq6A1 HIS 40 HD2 -0.04 0.14 -0.25 -0.04 6.97 6.77 2oq6A1 HIS 40 HE1 -0.08 0.19 0.05 -0.04 7.75 7.87 2oq6A1 ARG 41 H -0.71 0.37 -0.43 -0.55 8.46 7.14 2oq6A1 ARG 41 HA -0.23 0.05 0.46 -0.75 4.34 3.87 2oq6A1 ARG 41 HB2 -0.24 0.18 0.15 -0.04 1.90 1.95 2oq6A1 ARG 41 HB3 -0.14 -0.05 0.06 -0.04 1.80 1.63 2oq6A1 ARG 41 HG2 -0.29 -0.05 0.04 -0.04 1.67 1.33 2oq6A1 ARG 41 HG3 -0.70 -0.05 0.07 -0.04 1.67 0.95 2oq6A1 ARG 41 HD2 -0.13 0.02 0.08 -0.04 3.22 3.15 2oq6A1 ARG 41 HD3 -0.14 0.22 0.13 -0.04 3.22 3.39 2oq6A1 ALA 42 H -0.17 0.31 -0.31 -0.55 8.40 7.70 2oq6A1 ALA 42 HA 0.02 0.27 0.51 -0.75 4.34 4.39 2oq6A1 ALA 42 HB3 0.02 0.04 -0.29 -0.04 1.41 1.13 2oq6A1 GLY 43 H -0.07 0.28 -0.39 -0.55 8.43 7.70 2oq6A1 GLY 43 HA2 0.14 0.01 0.34 -0.51 4.01 3.99 2oq6A1 GLY 43 HA3 0.14 0.21 0.63 -0.51 4.01 4.47 2oq6A1 LEU 44 H 0.16 0.19 -0.50 -0.55 8.37 7.67 2oq6A1 LEU 44 HA 0.12 0.33 0.88 -0.75 4.35 4.92 2oq6A1 LEU 44 HB2 0.11 0.04 -0.40 -0.04 1.64 1.36 2oq6A1 LEU 44 HB3 0.08 -0.05 -0.20 -0.04 1.64 1.44 2oq6A1 LEU 44 HG -0.20 -0.04 -0.30 -0.04 1.64 1.05 2oq6A1 LEU 44 HD13 -0.50 0.08 -0.12 -0.04 0.93 0.34 2oq6A1 LEU 44 HD23 0.09 -0.01 -0.28 -0.04 0.89 0.65 2oq6A1 ALA 45 H 0.08 0.64 0.31 -0.55 8.40 8.88 2oq6A1 ALA 45 HA 0.14 0.18 0.79 -0.75 4.34 4.70 2oq6A1 ALA 45 HB3 0.42 0.01 -0.08 -0.04 1.41 1.71 2oq6A1 LYS 46 H 0.09 0.62 0.34 -0.55 8.42 8.91 2oq6A1 LYS 46 HA -0.01 0.31 1.11 -0.75 4.32 4.98 2oq6A1 LYS 46 HB2 -0.10 -0.01 -0.02 -0.04 1.87 1.70 2oq6A1 LYS 46 HB3 -0.05 -0.05 0.15 -0.04 1.79 1.80 2oq6A1 LYS 46 HG2 -0.09 -0.05 -0.29 -0.04 1.46 0.98 2oq6A1 LYS 46 HG3 -0.08 0.10 -0.01 -0.04 1.46 1.43 2oq6A1 LYS 46 HD2 -0.09 -0.06 -0.05 -0.04 1.69 1.45 2oq6A1 LYS 46 HD3 -0.11 -0.01 -0.06 -0.04 1.68 1.46 2oq6A1 LYS 46 HE2 -0.11 -0.02 -0.06 -0.04 2.99 2.75 2oq6A1 LYS 46 HE3 -0.10 -0.04 -0.10 -0.04 2.99 2.71 2oq6A1 VAL 47 H 0.12 0.65 0.24 -0.55 8.24 8.70 2oq6A1 VAL 47 HA 0.08 0.16 0.89 -0.75 4.13 4.50 2oq6A1 VAL 47 HB 0.06 -0.04 0.05 -0.04 2.12 2.15 2oq6A1 VAL 47 HG13 -0.30 -0.00 -0.20 -0.04 0.97 0.43 2oq6A1 VAL 47 HG23 0.38 -0.01 -0.26 -0.04 0.95 1.01 2oq6A1 VAL 48 H -0.30 0.67 0.27 -0.55 8.24 8.34 2oq6A1 VAL 48 HA -0.13 0.14 0.88 -0.75 4.13 4.27 2oq6A1 VAL 48 HB -0.77 -0.03 0.19 -0.04 2.12 1.47 2oq6A1 VAL 48 HG13 -0.06 0.04 -0.06 -0.04 0.97 0.84 2oq6A1 VAL 48 HG23 -0.40 -0.03 -0.04 -0.04 0.95 0.44 2oq6A1 PRO 49 HA -0.90 0.06 0.35 -0.51 4.44 3.44 2oq6A1 PRO 49 HB2 -0.46 0.10 -0.08 -0.04 2.28 1.80 2oq6A1 PRO 49 HB3 -1.50 -0.07 0.00 -0.04 2.02 0.42 2oq6A1 PRO 49 HG2 0.24 0.11 0.06 -0.04 2.03 2.40 2oq6A1 PRO 49 HG3 0.22 -0.05 0.04 -0.04 2.03 2.20 2oq6A1 PRO 49 HD2 -0.01 0.16 0.25 -0.04 3.68 4.03 2oq6A1 PRO 49 HD3 0.05 0.11 0.42 -0.04 3.65 4.18 2oq6A1 PRO 50 HA -0.12 0.08 0.40 -0.51 4.44 4.29 2oq6A1 PRO 50 HB2 -0.09 -0.11 -0.02 -0.04 2.28 2.02 2oq6A1 PRO 50 HB3 -0.11 -0.07 0.11 -0.04 2.02 1.91 2oq6A1 PRO 50 HG2 -0.34 -0.05 -0.06 -0.04 2.03 1.54 2oq6A1 PRO 50 HG3 -0.31 0.08 -0.42 -0.04 2.03 1.34 2oq6A1 PRO 50 HD2 -1.49 0.07 0.09 -0.04 3.68 2.30 2oq6A1 PRO 50 HD3 -1.24 0.17 0.08 -0.04 3.65 2.63 2oq6A1 LYS 51 H -0.01 0.08 0.18 -0.55 8.42 8.11 2oq6A1 LYS 51 HA 0.03 0.20 0.31 -0.75 4.32 4.10 2oq6A1 LYS 51 HB2 0.01 -0.10 0.16 -0.04 1.87 1.90 2oq6A1 LYS 51 HB3 0.02 0.02 -0.01 -0.04 1.79 1.78 2oq6A1 LYS 51 HG2 0.02 0.04 0.08 -0.04 1.46 1.56 2oq6A1 LYS 51 HG3 0.02 -0.03 0.05 -0.04 1.46 1.45 2oq6A1 LYS 51 HD2 0.02 -0.04 0.02 -0.04 1.69 1.66 2oq6A1 LYS 51 HD3 0.03 0.08 0.07 -0.04 1.68 1.82 2oq6A1 LYS 51 HE2 0.04 0.02 0.01 -0.04 2.99 3.01 2oq6A1 LYS 51 HE3 0.02 -0.04 0.01 -0.04 2.99 2.94 2oq6A1 GLU 52 H 0.02 -0.05 -0.23 -0.55 8.60 7.80 2oq6A1 GLU 52 HA 0.03 0.08 0.29 -0.75 4.29 3.93 2oq6A1 GLU 52 HB2 0.04 0.01 0.04 -0.04 2.09 2.14 2oq6A1 GLU 52 HB3 0.03 -0.03 0.06 -0.04 1.99 2.01 2oq6A1 GLU 52 HG2 0.08 0.06 -0.13 -0.04 2.34 2.32 2oq6A1 GLU 52 HG3 0.06 -0.01 -0.06 -0.04 2.34 2.29 2oq6A1 TRP 53 H 0.17 0.37 -0.45 -0.55 7.97 7.51 2oq6A1 TRP 53 HA -0.01 -0.04 0.43 -0.75 4.62 4.25 2oq6A1 TRP 53 HB2 -0.14 -0.15 -0.00 -0.04 3.23 2.90 2oq6A1 TRP 53 HB3 -0.22 0.20 -0.01 -0.04 3.23 3.16 2oq6A1 TRP 53 HD1 0.12 -0.07 -0.04 -0.04 7.22 7.19 2oq6A1 TRP 53 HE1 0.20 -0.10 -0.06 -0.04 10.20 10.19 2oq6A1 TRP 53 HE3 -0.07 0.11 -0.22 -0.04 7.59 7.36 2oq6A1 TRP 53 HZ2 0.32 0.13 -0.12 -0.04 7.44 7.73 2oq6A1 TRP 53 HZ3 -0.37 0.04 -0.10 -0.04 7.13 6.66 2oq6A1 TRP 53 HH2 -0.28 -0.03 -0.08 -0.04 7.19 6.76 2oq6A1 LYS 54 H -0.72 0.18 0.16 -0.55 8.42 7.48 2oq6A1 LYS 54 HA -0.57 0.21 0.55 -0.75 4.32 3.76 2oq6A1 PRO 55 HA -0.71 0.10 0.65 -0.51 4.44 3.97 2oq6A1 PRO 55 HB2 -1.05 -0.07 0.01 -0.04 2.28 1.13 2oq6A1 PRO 55 HB3 -1.15 0.08 0.04 -0.04 2.02 0.95 2oq6A1 PRO 55 HG2 -0.15 0.04 -0.03 -0.04 2.03 1.86 2oq6A1 PRO 55 HG3 -0.65 0.06 -0.01 -0.04 2.03 1.39 2oq6A1 PRO 55 HD2 -0.29 0.17 0.20 -0.04 3.68 3.71 2oq6A1 PRO 55 HD3 -0.98 0.20 0.08 -0.04 3.65 2.91 2oq6A1 ARG 56 H -0.33 0.30 -0.19 -0.55 8.46 7.68 2oq6A1 ARG 56 HA -0.22 0.00 0.70 -0.75 4.34 4.07 2oq6A1 ARG 56 HB2 -0.23 0.16 -0.25 -0.04 1.90 1.53 2oq6A1 ARG 56 HB3 -0.71 -0.02 -0.08 -0.04 1.80 0.94 2oq6A1 ARG 56 HG2 -0.33 -0.18 -0.01 -0.04 1.67 1.10 2oq6A1 ARG 56 HG3 -0.19 0.03 0.07 -0.04 1.67 1.54 2oq6A1 ARG 56 HD2 -0.21 0.12 -0.01 -0.04 3.22 3.08 2oq6A1 ARG 56 HD3 -1.08 -0.12 -0.28 -0.04 3.22 1.71 2oq6A1 ALA 57 H -0.15 0.11 0.11 -0.55 8.40 7.93 2oq6A1 ALA 57 HA -0.12 0.12 0.43 -0.75 4.34 4.02 2oq6A1 ALA 57 HB3 -0.07 -0.00 0.10 -0.04 1.41 1.40 2oq6A1 SER 58 H -0.22 0.13 -0.00 -0.55 8.46 7.83 2oq6A1 SER 58 HA -0.19 0.23 0.35 -0.75 4.49 4.13 2oq6A1 SER 58 HB2 -0.04 0.02 0.13 -0.04 3.95 4.02 2oq6A1 SER 58 HB3 -0.07 0.11 -0.23 -0.04 3.93 3.71 2oq6A1 TYR 59 H 0.05 0.25 0.06 -0.55 8.29 8.10 2oq6A1 TYR 59 HA -0.02 0.18 0.73 -0.75 4.56 4.69 2oq6A1 TYR 59 HB2 -0.30 0.05 0.06 -0.04 3.06 2.83 2oq6A1 TYR 59 HB3 -0.22 0.00 0.12 -0.04 2.98 2.84 2oq6A1 TYR 59 HD2 0.07 -0.02 -0.05 -0.04 7.15 7.12 2oq6A1 TYR 59 HE2 0.03 0.04 -0.05 -0.04 6.85 6.82 2oq6A1 ASP 60 H -0.02 0.14 -0.31 -0.55 8.40 7.67 2oq6A1 ASP 60 HA -0.00 0.16 0.52 -0.75 4.63 4.55 2oq6A1 ASP 60 HB2 -0.01 0.00 0.01 -0.04 2.71 2.67 2oq6A1 ASP 60 HB3 -0.01 0.04 0.03 -0.04 2.70 2.72 2oq6A1 ASP 61 H 0.01 0.13 -0.23 -0.55 8.40 7.76 2oq6A1 ASP 61 HA 0.01 0.18 0.55 -0.75 4.63 4.61 2oq6A1 ASP 61 HB2 0.01 0.03 0.15 -0.04 2.71 2.85 2oq6A1 ASP 61 HB3 -0.00 0.02 0.01 -0.04 2.70 2.68 2oq6A1 ILE 62 H 0.05 0.28 -0.42 -0.55 8.25 7.61 2oq6A1 ILE 62 HA 0.05 0.23 0.62 -0.75 4.18 4.33 2oq6A1 ILE 62 HB 0.16 0.02 0.09 -0.04 1.89 2.12 2oq6A1 ILE 62 HG12 0.15 0.19 -0.04 -0.04 1.49 1.75 2oq6A1 ILE 62 HG13 0.17 -0.01 -0.21 -0.04 1.21 1.12 2oq6A1 ILE 62 HG23 0.14 -0.01 -0.15 -0.04 0.93 0.86 2oq6A1 ILE 62 HD13 0.50 0.01 -0.06 -0.04 0.88 1.28 2oq6A1 ASP 63 H 0.03 0.21 -0.20 -0.55 8.40 7.89 2oq6A1 ASP 63 HA 0.02 0.06 0.25 -0.75 4.63 4.20 2oq6A1 ASP 63 HB2 0.00 0.06 0.04 -0.04 2.71 2.76 2oq6A1 ASP 63 HB3 0.00 -0.05 0.09 -0.04 2.70 2.70 2oq6A1 ASP 64 H 0.01 0.13 -0.28 -0.55 8.40 7.71 2oq6A1 ASP 64 HA -0.01 0.09 0.63 -0.75 4.63 4.58 2oq6A1 LEU 65 H -0.01 0.26 -0.34 -0.55 8.37 7.74 2oq6A1 LEU 65 HA -0.01 0.02 0.49 -0.75 4.35 4.10 2oq6A1 LEU 65 HB2 0.03 -0.05 0.14 -0.04 1.64 1.71 2oq6A1 LEU 65 HB3 -0.06 0.01 0.10 -0.04 1.64 1.65 2oq6A1 LEU 65 HG 0.01 0.10 -0.03 -0.04 1.64 1.68 2oq6A1 LEU 65 HD13 0.06 -0.01 0.00 -0.04 0.93 0.94 2oq6A1 LEU 65 HD23 0.12 -0.01 -0.14 -0.04 0.89 0.82 2oq6A1 VAL 66 H -0.03 0.12 0.20 -0.55 8.24 7.98 2oq6A1 VAL 66 HA -0.06 0.10 0.74 -0.75 4.13 4.16 2oq6A1 VAL 66 HB -0.02 -0.03 0.10 -0.04 2.12 2.13 2oq6A1 VAL 66 HG13 -0.03 -0.01 -0.30 -0.04 0.97 0.59 2oq6A1 VAL 66 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.88 2oq6A1 ILE 67 H -0.08 0.75 0.29 -0.55 8.25 8.66 2oq6A1 ILE 67 HA -0.08 0.14 0.72 -0.75 4.18 4.21 2oq6A1 ILE 67 HB -0.08 0.04 0.17 -0.04 1.89 1.98 2oq6A1 ILE 67 HG12 -0.26 0.03 -0.12 -0.04 1.49 1.10 2oq6A1 ILE 67 HG13 -0.29 -0.05 -0.27 -0.04 1.21 0.56 2oq6A1 ILE 67 HG23 -0.10 -0.01 -0.15 -0.04 0.93 0.63 2oq6A1 ILE 67 HD13 -0.47 -0.01 -0.14 -0.04 0.88 0.22 2oq6A1 PRO 68 HA -0.03 -0.00 0.38 -0.51 4.44 4.28 2oq6A1 PRO 68 HB2 -0.05 0.08 0.01 -0.04 2.28 2.28 2oq6A1 PRO 68 HB3 -0.03 -0.01 0.09 -0.04 2.02 2.03 2oq6A1 PRO 68 HG2 -0.05 0.02 0.09 -0.04 2.03 2.05 2oq6A1 PRO 68 HG3 -0.03 -0.00 -0.00 -0.04 2.03 1.95 2oq6A1 PRO 68 HD2 -0.09 0.11 0.14 -0.04 3.68 3.81 2oq6A1 PRO 68 HD3 -0.06 0.40 0.12 -0.04 3.65 4.07 2oq6A1 ALA 69 H -0.07 0.08 -0.37 -0.55 8.40 7.50 2oq6A1 ALA 69 HA -0.02 0.33 0.79 -0.75 4.34 4.69 2oq6A1 ALA 69 HB3 -0.04 -0.01 -0.03 -0.04 1.41 1.29 2oq6A1 PRO 70 HA -0.01 0.06 0.52 -0.51 4.44 4.50 2oq6A1 PRO 70 HB2 0.09 -0.00 -0.17 -0.04 2.28 2.15 2oq6A1 PRO 70 HB3 0.10 -0.05 -0.07 -0.04 2.02 1.96 2oq6A1 PRO 70 HG2 0.05 0.15 -0.09 -0.04 2.03 2.10 2oq6A1 PRO 70 HG3 0.02 -0.04 -0.03 -0.04 2.03 1.94 2oq6A1 PRO 70 HD2 0.01 0.26 -0.31 -0.04 3.68 3.59 2oq6A1 PRO 70 HD3 -0.01 0.12 -0.45 -0.04 3.65 3.27 2oq6A1 ILE 71 H 0.07 0.56 0.33 -0.55 8.25 8.67 2oq6A1 ILE 71 HA 0.05 0.26 0.88 -0.75 4.18 4.61 2oq6A1 ILE 71 HB 0.06 -0.01 -0.21 -0.04 1.89 1.68 2oq6A1 ILE 71 HG12 0.02 0.00 0.14 -0.04 1.49 1.61 2oq6A1 ILE 71 HG13 0.15 -0.10 0.22 -0.04 1.21 1.43 2oq6A1 ILE 71 HG23 0.01 0.04 -0.25 -0.04 0.93 0.68 2oq6A1 ILE 71 HD13 0.10 -0.00 -0.05 -0.04 0.88 0.89 2oq6A1 GLN 72 H 0.05 0.70 0.29 -0.55 8.47 8.96 2oq6A1 GLN 72 HA 0.05 0.27 0.86 -0.75 4.36 4.78 2oq6A1 GLN 72 HB2 0.03 -0.06 0.03 -0.04 2.15 2.12 2oq6A1 GLN 72 HB3 0.04 -0.05 0.15 -0.04 2.02 2.12 2oq6A1 GLN 72 HG2 0.04 -0.06 -0.28 -0.04 2.40 2.07 2oq6A1 GLN 72 HG3 0.03 0.21 -0.22 -0.04 2.39 2.37 2oq6A1 GLN 72 HE21 0.07 -0.10 -0.06 -0.04 6.97 6.84 2oq6A1 GLN 72 HE22 0.07 0.32 -0.09 -0.04 7.69 7.94 2oq6A1 GLN 73 H 0.03 0.77 0.19 -0.55 8.47 8.91 2oq6A1 GLN 73 HA 0.06 0.16 0.70 -0.75 4.36 4.52 2oq6A1 GLN 73 HB2 -0.02 0.09 0.19 -0.04 2.15 2.37 2oq6A1 GLN 73 HB3 -0.02 -0.01 0.02 -0.04 2.02 1.97 2oq6A1 GLN 73 HG2 0.09 -0.01 -0.17 -0.04 2.40 2.26 2oq6A1 GLN 73 HG3 0.10 0.05 -0.08 -0.04 2.39 2.42 2oq6A1 GLN 73 HE21 0.11 0.46 0.14 -0.04 6.97 7.64 2oq6A1 GLN 73 HE22 0.16 -0.02 -0.03 -0.04 7.69 7.76 2oq6A1 LEU 74 H 0.08 0.54 0.31 -0.55 8.37 8.76 2oq6A1 LEU 74 HA 0.03 0.13 0.80 -0.75 4.35 4.56 2oq6A1 LEU 74 HB2 0.10 0.04 0.22 -0.04 1.64 1.96 2oq6A1 LEU 74 HB3 0.07 -0.03 0.01 -0.04 1.64 1.65 2oq6A1 LEU 74 HG 0.04 0.01 -0.09 -0.04 1.64 1.56 2oq6A1 LEU 74 HD13 0.03 -0.02 -0.02 -0.04 0.93 0.88 2oq6A1 LEU 74 HD23 0.03 0.00 0.02 -0.04 0.89 0.90 2oq6A1 VAL 75 H -0.01 0.30 0.23 -0.55 8.24 8.22 2oq6A1 VAL 75 HA 0.10 0.23 1.03 -0.75 4.13 4.74 2oq6A1 VAL 75 HB -0.18 0.10 -0.08 -0.04 2.12 1.92 2oq6A1 VAL 75 HG13 -0.07 -0.04 -0.35 -0.04 0.97 0.47 2oq6A1 VAL 75 HG23 -0.14 0.02 -0.20 -0.04 0.95 0.60 2oq6A1 THR 76 H 0.22 0.65 0.35 -0.55 8.28 8.95 2oq6A1 THR 76 HA 0.13 0.17 0.95 -0.75 4.39 4.88 2oq6A1 THR 76 HB 0.11 0.02 -0.01 -0.04 4.32 4.40 2oq6A1 THR 76 HG23 0.33 0.02 0.10 -0.04 1.22 1.64 2oq6A1 GLY 77 H 0.15 0.25 0.23 -0.55 8.43 8.51 2oq6A1 GLY 77 HA2 0.00 -0.01 0.33 -0.51 4.01 3.82 2oq6A1 GLY 77 HA3 -0.05 0.28 1.01 -0.51 4.01 4.74 2oq6A1 GLN 78 H -0.47 0.63 0.33 -0.55 8.47 8.41 2oq6A1 GLN 78 HA -0.04 0.09 0.64 -0.75 4.36 4.30 2oq6A1 GLN 78 HB2 -0.04 -0.05 0.08 -0.04 2.15 2.10 2oq6A1 GLN 78 HB3 -0.01 0.13 -0.15 -0.04 2.02 1.95 2oq6A1 GLN 78 HG2 -0.10 -0.05 -0.09 -0.04 2.40 2.11 2oq6A1 GLN 78 HG3 -0.14 0.04 -0.17 -0.04 2.39 2.08 2oq6A1 GLN 78 HE21 -0.03 -0.01 -0.03 -0.04 6.97 6.87 2oq6A1 GLN 78 HE22 -0.05 0.02 -0.03 -0.04 7.69 7.58 2oq6A1 SER 79 H -0.05 0.18 0.16 -0.55 8.46 8.20 2oq6A1 SER 79 HA -0.08 0.03 0.37 -0.75 4.49 4.06 2oq6A1 SER 79 HB2 -0.19 0.18 -0.12 -0.04 3.95 3.78 2oq6A1 SER 79 HB3 -0.13 0.02 0.17 -0.04 3.93 3.95 2oq6A1 GLY 80 H -0.09 0.09 -0.20 -0.55 8.43 7.69 2oq6A1 GLY 80 HA2 0.05 -0.02 0.25 -0.51 4.01 3.78 2oq6A1 GLY 80 HA3 -0.19 0.02 0.33 -0.51 4.01 3.67 2oq6A1 LEU 81 H -0.66 0.44 -0.42 -0.55 8.37 7.19 2oq6A1 LEU 81 HA -0.05 0.24 1.05 -0.75 4.35 4.84 2oq6A1 LEU 81 HB2 -0.39 0.04 0.16 -0.04 1.64 1.40 2oq6A1 LEU 81 HB3 -0.25 0.02 0.01 -0.04 1.64 1.39 2oq6A1 LEU 81 HG -0.57 0.03 -0.14 -0.04 1.64 0.92 2oq6A1 LEU 81 HD13 -0.89 0.01 0.02 -0.04 0.93 0.03 2oq6A1 LEU 81 HD23 -0.67 0.01 -0.02 -0.04 0.89 0.18 2oq6A1 PHE 82 H 0.33 0.68 0.33 -0.55 8.34 9.12 2oq6A1 PHE 82 HA 0.14 0.25 1.11 -0.75 4.62 5.36 2oq6A1 PHE 82 HB2 0.12 -0.08 -0.15 -0.04 3.15 2.99 2oq6A1 PHE 82 HB3 0.05 0.08 -0.17 -0.04 3.06 2.99 2oq6A1 PHE 82 HD2 0.14 0.06 -0.55 -0.04 7.28 6.89 2oq6A1 PHE 82 HE2 0.09 0.03 -0.36 -0.04 7.38 7.09 2oq6A1 PHE 82 HZ 0.04 -0.02 -0.16 -0.04 7.32 7.13 2oq6A1 THR 83 H 0.24 0.71 0.39 -0.55 8.28 9.07 2oq6A1 THR 83 HA -0.01 0.38 1.04 -0.75 4.39 5.04 2oq6A1 THR 83 HB 0.17 -0.05 0.15 -0.04 4.32 4.55 2oq6A1 THR 83 HG23 -0.34 -0.00 -0.09 -0.04 1.22 0.75 2oq6A1 GLN 84 H -0.07 0.69 0.27 -0.55 8.47 8.82 2oq6A1 GLN 84 HA 0.05 0.23 0.91 -0.75 4.36 4.79 2oq6A1 GLN 84 HB2 -0.01 -0.06 -0.13 -0.04 2.15 1.91 2oq6A1 GLN 84 HB3 -0.02 -0.02 0.07 -0.04 2.02 2.01 2oq6A1 GLN 84 HG2 0.02 -0.03 -0.38 -0.04 2.40 1.97 2oq6A1 GLN 84 HG3 0.01 0.06 -0.24 -0.04 2.39 2.17 2oq6A1 GLN 84 HE21 0.03 0.03 -0.18 -0.04 6.97 6.81 2oq6A1 GLN 84 HE22 0.02 0.07 -0.08 -0.04 7.69 7.67 2oq6A1 TYR 85 H 0.23 0.97 0.35 -0.55 8.29 9.29 2oq6A1 TYR 85 HA 0.03 0.08 0.84 -0.75 4.56 4.76 2oq6A1 TYR 85 HB2 0.03 0.04 0.20 -0.04 3.06 3.28 2oq6A1 TYR 85 HB3 0.03 -0.04 0.02 -0.04 2.98 2.94 2oq6A1 TYR 85 HD2 0.03 0.09 -0.03 -0.04 7.15 7.20 2oq6A1 TYR 85 HE2 0.04 -0.02 -0.05 -0.04 6.85 6.78 2oq6A1 ASN 86 H 0.08 0.19 0.07 -0.55 8.53 8.33 2oq6A1 ASN 86 HA 0.08 0.24 0.69 -0.75 4.76 5.01 2oq6A1 ASN 86 HB2 0.04 -0.02 0.15 -0.04 2.88 3.02 2oq6A1 ASN 86 HB3 0.06 -0.02 -0.04 -0.04 2.79 2.75 2oq6A1 ASN 86 HD21 0.03 0.09 -0.05 -0.04 7.03 7.06 2oq6A1 ASN 86 HD22 0.02 0.00 -0.01 -0.04 7.74 7.71 2oq6A1 ILE 87 H 0.07 0.78 0.28 -0.55 8.25 8.83 2oq6A1 ILE 87 HA 0.05 0.08 0.84 -0.75 4.18 4.40 2oq6A1 ILE 87 HB 0.05 -0.02 0.15 -0.04 1.89 2.02 2oq6A1 ILE 87 HG12 0.08 0.14 -0.05 -0.04 1.49 1.61 2oq6A1 ILE 87 HG13 0.04 -0.03 -0.03 -0.04 1.21 1.15 2oq6A1 ILE 87 HG23 0.03 0.02 -0.09 -0.04 0.93 0.85 2oq6A1 ILE 87 HD13 0.09 -0.01 -0.35 -0.04 0.88 0.56 2oq6A1 GLN 88 H 0.03 0.12 0.15 -0.55 8.47 8.23 2oq6A1 GLN 88 HA 0.02 0.18 0.43 -0.75 4.36 4.23 2oq6A1 GLN 88 HB2 0.01 -0.02 0.10 -0.04 2.15 2.20 2oq6A1 GLN 88 HB3 0.01 -0.08 0.13 -0.04 2.02 2.04 2oq6A1 GLN 88 HG2 0.00 0.21 -0.11 -0.04 2.40 2.47 2oq6A1 GLN 88 HG3 -0.00 0.05 -0.06 -0.04 2.39 2.34 2oq6A1 GLN 88 HE21 -0.00 -0.08 -0.01 -0.04 6.97 6.83 2oq6A1 GLN 88 HE22 -0.00 0.07 -0.03 -0.04 7.69 7.69 2oq6A1 LYS 89 H 0.02 0.83 0.35 -0.55 8.42 9.08 2oq6A1 LYS 89 HA 0.02 0.08 0.83 -0.75 4.32 4.50 2oq6A1 LYS 89 HB2 0.03 0.09 -0.03 -0.04 1.87 1.92 2oq6A1 LYS 89 HB3 0.02 -0.14 0.14 -0.04 1.79 1.76 2oq6A1 LYS 89 HG2 0.04 0.03 -0.04 -0.04 1.46 1.44 2oq6A1 LYS 89 HG3 0.03 -0.04 -0.07 -0.04 1.46 1.33 2oq6A1 LYS 89 HD2 0.03 0.08 -0.48 -0.04 1.69 1.27 2oq6A1 LYS 89 HD3 0.03 -0.02 -0.07 -0.04 1.68 1.58 2oq6A1 LYS 89 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 2oq6A1 LYS 89 HE3 0.02 -0.05 0.04 -0.04 2.99 2.96 2oq6A1 LYS 90 H 0.01 0.03 0.12 -0.55 8.42 8.03 2oq6A1 LYS 90 HA 0.01 0.02 0.51 -0.75 4.32 4.10 2oq6A1 LYS 90 HB2 0.01 -0.06 0.13 -0.04 1.87 1.91 2oq6A1 LYS 90 HB3 0.01 0.18 -0.03 -0.04 1.79 1.91 2oq6A1 LYS 90 HG2 0.01 -0.02 0.05 -0.04 1.46 1.46 2oq6A1 LYS 90 HG3 0.01 -0.00 0.10 -0.04 1.46 1.52 2oq6A1 LYS 90 HD2 0.01 0.01 0.03 -0.04 1.69 1.70 2oq6A1 LYS 90 HD3 0.01 -0.01 0.06 -0.04 1.68 1.69 2oq6A1 LYS 90 HE2 0.01 -0.02 0.02 -0.04 2.99 2.96 2oq6A1 LYS 90 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 2oq6A1 ALA 91 H -0.00 0.03 0.22 -0.55 8.40 8.09 2oq6A1 ALA 91 HA -0.01 0.27 0.50 -0.75 4.34 4.35 2oq6A1 ALA 91 HB3 -0.01 -0.02 0.10 -0.04 1.41 1.44 2oq6A1 MET 92 H -0.01 0.52 0.33 -0.55 8.47 8.77 2oq6A1 MET 92 HA 0.00 0.06 0.48 -0.75 4.52 4.31 2oq6A1 MET 92 HB2 0.03 -0.15 0.12 -0.04 2.15 2.10 2oq6A1 MET 92 HB3 0.03 0.17 -0.10 -0.04 2.03 2.09 2oq6A1 MET 92 HG2 0.06 0.05 -0.02 -0.04 2.63 2.68 2oq6A1 MET 92 HG3 0.09 0.05 -0.23 -0.04 2.56 2.43 2oq6A1 MET 92 HE3 0.05 0.05 -0.13 -0.04 2.10 2.03 2oq6A1 THR 93 H -0.00 0.06 0.15 -0.55 8.28 7.94 2oq6A1 THR 93 HA -0.05 0.25 0.72 -0.75 4.39 4.56 2oq6A1 THR 93 HB -0.03 0.23 0.21 -0.04 4.32 4.69 2oq6A1 THR 93 HG23 -0.02 0.03 -0.03 -0.04 1.22 1.16 2oq6A1 VAL 94 H -0.11 0.61 0.18 -0.55 8.24 8.37 2oq6A1 VAL 94 HA -0.14 0.06 0.50 -0.75 4.13 3.80 2oq6A1 VAL 94 HB -0.08 0.09 0.16 -0.04 2.12 2.25 2oq6A1 VAL 94 HG13 0.10 -0.02 -0.14 -0.04 0.97 0.87 2oq6A1 VAL 94 HG23 -0.70 0.05 -0.04 -0.04 0.95 0.23 2oq6A1 ARG 95 H -0.02 0.58 0.12 -0.55 8.46 8.59 2oq6A1 ARG 95 HA -0.02 0.05 0.50 -0.75 4.34 4.11 2oq6A1 GLU 96 H 0.00 0.08 -0.24 -0.55 8.60 7.90 2oq6A1 GLU 96 HA -0.01 0.05 0.32 -0.75 4.29 3.89 2oq6A1 GLU 96 HB2 0.02 -0.00 0.15 -0.04 2.09 2.21 2oq6A1 GLU 96 HB3 0.01 0.08 0.03 -0.04 1.99 2.07 2oq6A1 GLU 96 HG2 -0.00 0.05 0.04 -0.04 2.34 2.38 2oq6A1 GLU 96 HG3 -0.00 -0.07 0.05 -0.04 2.34 2.27 2oq6A1 PHE 97 H 0.13 0.39 -0.31 -0.55 8.34 7.99 2oq6A1 PHE 97 HA -0.02 0.06 0.40 -0.75 4.62 4.31 2oq6A1 PHE 97 HB2 -0.04 0.05 0.01 -0.04 3.15 3.13 2oq6A1 PHE 97 HB3 -0.01 0.04 0.14 -0.04 3.06 3.18 2oq6A1 PHE 97 HD2 0.20 -0.00 -0.19 -0.04 7.28 7.25 2oq6A1 PHE 97 HE2 0.29 0.10 -0.37 -0.04 7.38 7.36 2oq6A1 PHE 97 HZ 0.24 0.04 -0.23 -0.04 7.32 7.33 2oq6A1 ARG 98 H 0.04 0.70 -0.01 -0.55 8.46 8.64 2oq6A1 ARG 98 HA -0.44 0.02 0.33 -0.75 4.34 3.49 2oq6A1 ARG 98 HB2 -0.53 0.01 0.09 -0.04 1.90 1.43 2oq6A1 ARG 98 HB3 -0.24 0.04 0.13 -0.04 1.80 1.69 2oq6A1 ARG 98 HG2 -0.49 -0.02 -0.09 -0.04 1.67 1.03 2oq6A1 ARG 98 HG3 -1.78 -0.02 0.01 -0.04 1.67 -0.16 2oq6A1 ARG 98 HD2 -0.18 0.01 -0.07 -0.04 3.22 2.93 2oq6A1 ARG 98 HD3 -0.21 -0.02 -0.04 -0.04 3.22 2.91 2oq6A1 LYS 99 H -0.10 0.56 -0.18 -0.55 8.42 8.15 2oq6A1 LYS 99 HA -0.08 -0.01 0.39 -0.75 4.32 3.86 2oq6A1 ILE 100 H -0.13 0.40 -0.21 -0.55 8.25 7.77 2oq6A1 ILE 100 HA -0.00 -0.04 0.37 -0.75 4.18 3.75 2oq6A1 ILE 100 HB -0.32 0.12 0.18 -0.04 1.89 1.83 2oq6A1 ILE 100 HG12 -0.03 -0.05 0.02 -0.04 1.49 1.39 2oq6A1 ILE 100 HG13 -0.06 -0.07 0.06 -0.04 1.21 1.10 2oq6A1 ILE 100 HG23 -0.33 -0.01 -0.08 -0.04 0.93 0.47 2oq6A1 ILE 100 HD13 -0.07 0.02 -0.02 -0.04 0.88 0.76 2oq6A1 ALA 101 H -0.29 0.60 -0.05 -0.55 8.40 8.11 2oq6A1 ALA 101 HA -0.05 0.05 0.31 -0.75 4.34 3.90 2oq6A1 ALA 101 HB3 -0.05 -0.03 0.13 -0.04 1.41 1.42 2oq6A1 ASN 102 H -0.06 0.56 -0.17 -0.55 8.53 8.32 2oq6A1 ASN 102 HA 0.07 0.07 0.75 -0.75 4.76 4.89 2oq6A1 ASN 102 HB2 -0.05 0.09 0.09 -0.04 2.88 2.97 2oq6A1 ASN 102 HB3 0.01 -0.08 0.14 -0.04 2.79 2.82 2oq6A1 ASN 102 HD21 -0.10 -0.08 0.00 -0.04 7.03 6.82 2oq6A1 ASN 102 HD22 -0.11 -0.01 -0.02 -0.04 7.74 7.56 2oq6A1 SER 103 H 0.05 0.38 -0.30 -0.55 8.46 8.04 2oq6A1 SER 103 HA 0.02 -0.00 0.44 -0.75 4.49 4.20 2oq6A1 SER 103 HB2 0.04 -0.15 0.14 -0.04 3.95 3.94 2oq6A1 SER 103 HB3 0.04 0.15 0.16 -0.04 3.93 4.24 2oq6A1 ASP 104 H 0.01 0.10 0.19 -0.55 8.40 8.15 2oq6A1 ASP 104 HA 0.00 0.11 0.34 -0.75 4.63 4.33 2oq6A1 ASP 104 HB2 -0.02 -0.06 0.11 -0.04 2.71 2.71 2oq6A1 ASP 104 HB3 -0.02 0.04 0.01 -0.04 2.70 2.69 2oq6A1 LYS 105 H -0.04 -0.02 -0.31 -0.55 8.42 7.49 2oq6A1 LYS 105 HA -0.15 0.07 0.45 -0.75 4.32 3.94 2oq6A1 LYS 105 HB2 -0.16 -0.10 0.06 -0.04 1.87 1.62 2oq6A1 LYS 105 HB3 -0.34 0.02 0.00 -0.04 1.79 1.44 2oq6A1 LYS 105 HG2 -1.01 0.12 -0.16 -0.04 1.46 0.37 2oq6A1 LYS 105 HG3 -0.30 -0.03 0.03 -0.04 1.46 1.11 2oq6A1 LYS 105 HD2 -0.14 -0.07 -0.01 -0.04 1.69 1.42 2oq6A1 LYS 105 HD3 -0.27 0.01 -0.05 -0.04 1.68 1.33 2oq6A1 LYS 105 HE2 -0.28 0.09 -0.06 -0.04 2.99 2.70 2oq6A1 LYS 105 HE3 -0.12 -0.04 -0.02 -0.04 2.99 2.77 2oq6A1 TYR 106 H 0.08 0.21 -0.18 -0.55 8.29 7.85 2oq6A1 TYR 106 HA 0.13 0.25 0.84 -0.75 4.56 5.03 2oq6A1 TYR 106 HB2 0.01 0.24 0.05 -0.04 3.06 3.32 2oq6A1 TYR 106 HB3 0.05 -0.07 0.09 -0.04 2.98 3.01 2oq6A1 TYR 106 HD2 0.01 0.10 -0.03 -0.04 7.15 7.18 2oq6A1 TYR 106 HE2 -0.00 0.09 -0.15 -0.04 6.85 6.75 2oq6A1 CYS 107 H 0.11 0.18 -0.13 -0.55 8.50 8.11 2oq6A1 CYS 107 HA 0.18 0.12 0.48 -0.75 4.58 4.61 2oq6A1 CYS 107 HB2 0.06 -0.18 0.14 -0.04 2.97 2.95 2oq6A1 CYS 107 HB3 0.07 0.10 -0.15 -0.04 2.97 2.96 2oq6A1 THR 108 H 0.06 -0.03 0.22 -0.55 8.28 7.98 2oq6A1 THR 108 HA -0.76 0.12 0.46 -0.75 4.39 3.46 2oq6A1 THR 108 HB -0.05 -0.10 0.11 -0.04 4.32 4.24 2oq6A1 THR 108 HG23 -0.29 0.05 0.05 -0.04 1.22 0.98 2oq6A1 PRO 109 HA -0.17 0.07 0.53 -0.51 4.44 4.35 2oq6A1 PRO 109 HB2 -0.18 0.05 -0.01 -0.04 2.28 2.09 2oq6A1 PRO 109 HB3 -0.17 0.04 0.10 -0.04 2.02 1.95 2oq6A1 PRO 109 HG2 -0.72 -0.06 -0.00 -0.04 2.03 1.20 2oq6A1 PRO 109 HG3 -0.41 0.06 0.03 -0.04 2.03 1.67 2oq6A1 PRO 109 HD2 -2.25 0.02 0.21 -0.04 3.68 1.62 2oq6A1 PRO 109 HD3 -1.79 0.29 0.18 -0.04 3.65 2.28 2oq6A1 ARG 110 H -0.06 0.07 0.15 -0.55 8.46 8.07 2oq6A1 ARG 110 HA 0.01 0.10 0.57 -0.75 4.34 4.26 2oq6A1 ARG 110 HB2 -0.02 -0.02 0.13 -0.04 1.90 1.94 2oq6A1 ARG 110 HB3 -0.02 -0.03 -0.01 -0.04 1.80 1.70 2oq6A1 TYR 111 H -0.09 0.30 0.19 -0.55 8.29 8.15 2oq6A1 TYR 111 HA -0.04 0.03 0.44 -0.75 4.56 4.24 2oq6A1 TYR 111 HB2 -0.05 -0.16 -0.07 -0.04 3.06 2.74 2oq6A1 TYR 111 HB3 -0.12 0.20 -0.48 -0.04 2.98 2.54 2oq6A1 TYR 111 HD2 -0.06 0.16 -0.32 -0.04 7.15 6.88 2oq6A1 TYR 111 HE2 0.07 -0.04 -0.21 -0.04 6.85 6.63 2oq6A1 SER 112 H 0.07 0.05 0.09 -0.55 8.46 8.12 2oq6A1 SER 112 HA -0.19 0.23 0.78 -0.75 4.49 4.55 2oq6A1 SER 112 HB2 0.02 -0.14 0.19 -0.04 3.95 3.98 2oq6A1 SER 112 HB3 -0.03 0.05 0.06 -0.04 3.93 3.97 2oq6A1 GLU 113 H 0.10 0.05 0.17 -0.55 8.60 8.38 2oq6A1 GLU 113 HA 0.16 0.22 0.64 -0.75 4.29 4.55 2oq6A1 GLU 113 HB2 0.14 0.02 0.12 -0.04 2.09 2.33 2oq6A1 GLU 113 HB3 0.09 0.10 0.10 -0.04 1.99 2.24 2oq6A1 PHE 114 H 0.37 0.23 0.16 -0.55 8.34 8.54 2oq6A1 PHE 114 HA 0.26 0.13 0.32 -0.75 4.62 4.58 2oq6A1 PHE 114 HB2 0.21 0.09 0.09 -0.04 3.15 3.50 2oq6A1 PHE 114 HB3 0.16 -0.01 0.10 -0.04 3.06 3.26 2oq6A1 PHE 114 HD2 0.17 0.01 -0.11 -0.04 7.28 7.32 2oq6A1 PHE 114 HE2 0.20 0.05 -0.12 -0.04 7.38 7.47 2oq6A1 PHE 114 HZ 0.15 0.06 -0.11 -0.04 7.32 7.38 2oq6A1 GLU 115 H 0.18 0.08 -0.25 -0.55 8.60 8.07 2oq6A1 GLU 115 HA -0.10 0.10 0.34 -0.75 4.29 3.88 2oq6A1 GLU 116 H 0.06 0.23 -0.40 -0.55 8.60 7.95 2oq6A1 GLU 116 HA 0.02 0.07 0.46 -0.75 4.29 4.10 2oq6A1 GLU 116 HB2 0.09 -0.12 0.13 -0.04 2.09 2.15 2oq6A1 GLU 116 HB3 0.18 0.09 0.09 -0.04 1.99 2.31 2oq6A1 GLU 116 HG2 0.05 0.10 -0.10 -0.04 2.34 2.34 2oq6A1 GLU 116 HG3 0.05 0.01 0.05 -0.04 2.34 2.41 2oq6A1 LEU 117 H -0.18 0.24 -0.12 -0.55 8.37 7.76 2oq6A1 LEU 117 HA -0.33 0.10 0.37 -0.75 4.35 3.74 2oq6A1 LEU 117 HB2 -1.62 -0.00 -0.00 -0.04 1.64 -0.03 2oq6A1 LEU 117 HB3 -0.59 0.03 0.05 -0.04 1.64 1.08 2oq6A1 LEU 117 HG -0.20 -0.02 -0.13 -0.04 1.64 1.25 2oq6A1 LEU 117 HD13 -1.04 0.03 -0.02 -0.04 0.93 -0.14 2oq6A1 LEU 117 HD23 -0.75 0.00 -0.05 -0.04 0.89 0.05 2oq6A1 GLU 118 H -0.49 0.53 -0.18 -0.55 8.60 7.92 2oq6A1 GLU 118 HA -0.06 0.05 0.38 -0.75 4.29 3.91 2oq6A1 GLU 118 HB2 -0.63 -0.00 0.02 -0.04 2.09 1.43 2oq6A1 GLU 118 HB3 -0.23 0.05 0.10 -0.04 1.99 1.87 2oq6A1 GLU 118 HG2 0.39 0.00 -0.26 -0.04 2.34 2.43 2oq6A1 GLU 118 HG3 0.64 -0.01 -0.04 -0.04 2.34 2.90 2oq6A1 ARG 119 H 0.00 0.50 -0.16 -0.55 8.46 8.25 2oq6A1 ARG 119 HA 0.19 -0.02 0.46 -0.75 4.34 4.22 2oq6A1 ARG 119 HB2 0.04 0.11 0.16 -0.04 1.90 2.17 2oq6A1 ARG 119 HB3 0.07 -0.03 -0.04 -0.04 1.80 1.76 2oq6A1 ARG 119 HG2 0.09 -0.05 0.02 -0.04 1.67 1.69 2oq6A1 ARG 119 HG3 0.07 0.14 0.07 -0.04 1.67 1.91 2oq6A1 ARG 119 HD2 0.05 0.00 -0.02 -0.04 3.22 3.22 2oq6A1 ARG 119 HD3 0.06 -0.03 -0.03 -0.04 3.22 3.18 2oq6A1 LYS 120 H 0.01 0.52 -0.14 -0.55 8.42 8.26 2oq6A1 LYS 120 HA 0.06 -0.01 0.50 -0.75 4.32 4.12 2oq6A1 LYS 120 HB2 0.00 0.10 0.15 -0.04 1.87 2.08 2oq6A1 LYS 120 HB3 0.14 0.02 -0.01 -0.04 1.79 1.90 2oq6A1 LYS 120 HG2 0.03 -0.03 0.02 -0.04 1.46 1.44 2oq6A1 LYS 120 HG3 0.01 -0.02 0.04 -0.04 1.46 1.45 2oq6A1 LYS 120 HD2 -0.10 -0.05 -0.15 -0.04 1.69 1.34 2oq6A1 LYS 120 HD3 -0.11 0.03 -0.06 -0.04 1.68 1.50 2oq6A1 LYS 120 HE2 0.01 -0.10 -0.03 -0.04 2.99 2.84 2oq6A1 LYS 120 HE3 0.01 0.20 0.01 -0.04 2.99 3.17 2oq6A1 TYR 121 H 0.07 0.59 -0.14 -0.55 8.29 8.25 2oq6A1 TYR 121 HA -0.48 0.08 0.38 -0.75 4.56 3.79 2oq6A1 TYR 121 HB2 -0.92 0.01 0.04 -0.04 3.06 2.15 2oq6A1 TYR 121 HB3 -0.90 0.07 0.15 -0.04 2.98 2.26 2oq6A1 TYR 121 HD2 -1.92 -0.00 -0.09 -0.04 7.15 5.10 2oq6A1 TYR 121 HE2 -1.80 0.06 -0.18 -0.04 6.85 4.88 2oq6A1 TRP 122 H -0.04 0.48 -0.11 -0.55 7.97 7.75 2oq6A1 TRP 122 HA -0.48 0.05 0.25 -0.75 4.62 3.68 2oq6A1 TRP 122 HB2 -0.02 0.07 0.10 -0.04 3.23 3.33 2oq6A1 TRP 122 HB3 -0.03 -0.10 0.04 -0.04 3.23 3.10 2oq6A1 TRP 122 HD1 0.13 0.11 -0.05 -0.04 7.22 7.36 2oq6A1 TRP 122 HE1 0.38 -0.01 -0.06 -0.04 10.20 10.46 2oq6A1 TRP 122 HE3 -0.13 -0.01 -0.10 -0.04 7.59 7.31 2oq6A1 TRP 122 HZ2 -0.06 0.03 -0.13 -0.04 7.44 7.24 2oq6A1 TRP 122 HZ3 0.08 0.01 -0.33 -0.04 7.13 6.84 2oq6A1 TRP 122 HH2 0.08 -0.01 -0.29 -0.04 7.19 6.93 2oq6A1 LYS 123 H -0.01 0.43 -0.34 -0.55 8.42 7.95 2oq6A1 LYS 123 HA 0.04 -0.01 0.59 -0.75 4.32 4.19 2oq6A1 LYS 123 HB2 0.07 -0.02 0.09 -0.04 1.87 1.97 2oq6A1 LYS 123 HB3 0.05 0.11 0.15 -0.04 1.79 2.06 2oq6A1 LYS 123 HG2 0.15 0.03 -0.13 -0.04 1.46 1.46 2oq6A1 LYS 123 HG3 0.10 -0.07 0.07 -0.04 1.46 1.52 2oq6A1 LYS 123 HD2 0.07 -0.03 -0.03 -0.04 1.69 1.66 2oq6A1 LYS 123 HD3 0.08 0.02 -0.03 -0.04 1.68 1.71 2oq6A1 LYS 123 HE2 0.09 0.01 -0.01 -0.04 2.99 3.03 2oq6A1 LYS 123 HE3 0.09 -0.02 0.00 -0.04 2.99 3.02 2oq6A1 ASN 124 H -0.22 0.47 -0.14 -0.55 8.53 8.09 2oq6A1 ASN 124 HA -0.19 0.09 0.67 -0.75 4.76 4.57 2oq6A1 ASN 124 HB2 0.01 0.21 0.07 -0.04 2.88 3.13 2oq6A1 ASN 124 HB3 0.10 0.01 0.10 -0.04 2.79 2.96 2oq6A1 ASN 124 HD21 0.11 -0.11 -0.01 -0.04 7.03 6.99 2oq6A1 ASN 124 HD22 0.17 0.06 0.01 -0.04 7.74 7.94 2oq6A1 LEU 125 H -0.64 0.20 -0.17 -0.55 8.37 7.22 2oq6A1 LEU 125 HA -0.63 0.17 0.19 -0.75 4.35 3.33 2oq6A1 LEU 125 HB2 -0.91 0.02 0.05 -0.04 1.64 0.75 2oq6A1 LEU 125 HB3 -1.47 0.18 0.05 -0.04 1.64 0.36 2oq6A1 LEU 125 HG -0.88 -0.01 -0.37 -0.04 1.64 0.35 2oq6A1 LEU 125 HD13 -1.07 -0.04 -0.21 -0.04 0.93 -0.43 2oq6A1 LEU 125 HD23 -1.02 -0.06 -0.14 -0.04 0.89 -0.37 2oq6A1 THR 126 H -0.73 0.04 -0.42 -0.55 8.28 6.62 2oq6A1 THR 126 HA -0.25 0.16 0.69 -0.75 4.39 4.23 2oq6A1 THR 126 HB -0.10 0.13 0.20 -0.04 4.32 4.51 2oq6A1 THR 126 HG23 -0.09 -0.02 -0.25 -0.04 1.22 0.81 2oq6A1 PHE 127 H -0.48 0.47 -0.19 -0.55 8.34 7.58 2oq6A1 PHE 127 HA -0.03 0.05 0.86 -0.75 4.62 4.75 2oq6A1 PHE 127 HB2 -0.04 0.12 0.04 -0.04 3.15 3.23 2oq6A1 PHE 127 HB3 -0.02 -0.10 0.08 -0.04 3.06 2.98 2oq6A1 PHE 127 HD2 -0.02 0.05 -0.05 -0.04 7.28 7.22 2oq6A1 PHE 127 HE2 0.00 0.00 -0.01 -0.04 7.38 7.34 2oq6A1 PHE 127 HZ 0.01 -0.04 0.03 -0.04 7.32 7.27 2oq6A1 ASN 128 H 0.14 0.01 0.13 -0.55 8.53 8.27 2oq6A1 ASN 128 HA 0.06 -0.06 0.35 -0.75 4.76 4.36 2oq6A1 ASN 128 HB2 0.04 -0.12 -0.02 -0.04 2.88 2.73 2oq6A1 ASN 128 HB3 0.07 0.16 -0.07 -0.04 2.79 2.91 2oq6A1 ASN 128 HD21 -0.55 -0.03 -0.10 -0.04 7.03 6.31 2oq6A1 ASN 128 HD22 0.01 0.03 0.07 -0.04 7.74 7.80 2oq6A1 PRO 129 HA -0.01 0.27 0.28 -0.51 4.44 4.48 2oq6A1 PRO 129 HB2 0.05 -0.07 -0.15 -0.04 2.28 2.06 2oq6A1 PRO 129 HB3 0.02 0.09 -0.05 -0.04 2.02 2.04 2oq6A1 PRO 129 HG2 0.07 -0.05 0.03 -0.04 2.03 2.04 2oq6A1 PRO 129 HG3 0.05 -0.02 0.02 -0.04 2.03 2.04 2oq6A1 PRO 129 HD2 0.07 -0.05 0.15 -0.04 3.68 3.81 2oq6A1 PRO 129 HD3 0.06 0.15 -0.05 -0.04 3.65 3.76 2oq6A1 PRO 130 HA -0.04 0.09 0.66 -0.51 4.44 4.64 2oq6A1 PRO 130 HB2 -0.05 -0.09 -0.07 -0.04 2.28 2.04 2oq6A1 PRO 130 HB3 -0.01 0.20 0.07 -0.04 2.02 2.23 2oq6A1 PRO 130 HG2 -0.08 -0.17 -0.08 -0.04 2.03 1.66 2oq6A1 PRO 130 HG3 -0.19 0.18 -0.27 -0.04 2.03 1.71 2oq6A1 PRO 130 HD2 -0.07 0.18 0.27 -0.04 3.68 4.01 2oq6A1 PRO 130 HD3 -0.10 0.31 0.15 -0.04 3.65 3.97 2oq6A1 ILE 131 H -0.17 0.18 0.13 -0.55 8.25 7.84 2oq6A1 ILE 131 HA 0.07 0.31 0.91 -0.75 4.18 4.72 2oq6A1 ILE 131 HB -0.10 -0.05 0.01 -0.04 1.89 1.72 2oq6A1 ILE 131 HG12 -0.02 -0.00 -0.18 -0.04 1.49 1.24 2oq6A1 ILE 131 HG13 -0.11 0.03 -0.44 -0.04 1.21 0.65 2oq6A1 ILE 131 HG23 0.17 -0.02 -0.35 -0.04 0.93 0.69 2oq6A1 ILE 131 HD13 -0.25 -0.01 -0.07 -0.04 0.88 0.50 2oq6A1 TYR 132 H 0.24 0.79 0.29 -0.55 8.29 9.05 2oq6A1 TYR 132 HA 0.24 0.14 0.90 -0.75 4.56 5.09 2oq6A1 TYR 132 HB2 0.07 0.04 0.03 -0.04 3.06 3.16 2oq6A1 TYR 132 HB3 0.07 -0.03 0.16 -0.04 2.98 3.15 2oq6A1 TYR 132 HD2 0.10 0.15 0.01 -0.04 7.15 7.37 2oq6A1 TYR 132 HE2 0.03 -0.01 -0.36 -0.04 6.85 6.47 2oq6A1 GLY 133 H 0.10 0.67 0.19 -0.55 8.43 8.84 2oq6A1 GLY 133 HA2 -0.10 0.06 0.66 -0.51 4.01 4.13 2oq6A1 GLY 133 HA3 -0.35 -0.04 0.41 -0.51 4.01 3.53 2oq6A1 ALA 134 H -0.22 0.37 -0.06 -0.55 8.40 7.95 2oq6A1 ALA 134 HA -0.60 0.03 0.49 -0.75 4.34 3.51 2oq6A1 ALA 134 HB3 -0.44 0.02 -0.03 -0.04 1.41 0.91 2oq6A1 ASP 135 H -1.29 0.13 0.13 -0.55 8.40 6.82 2oq6A1 ASP 135 HA -1.31 -0.02 0.28 -0.75 4.63 2.83 2oq6A1 ASP 135 HB2 -0.39 0.17 -0.15 -0.04 2.71 2.30 2oq6A1 ASP 135 HB3 -0.75 -0.04 0.10 -0.04 2.70 1.98 2oq6A1 VAL 136 H -0.58 0.54 0.03 -0.55 8.24 7.69 2oq6A1 VAL 136 HA -0.25 0.09 0.68 -0.75 4.13 3.90 2oq6A1 VAL 136 HB -0.10 -0.10 0.04 -0.04 2.12 1.92 2oq6A1 VAL 136 HG13 -0.00 0.02 -0.11 -0.04 0.97 0.84 2oq6A1 VAL 136 HG23 -0.11 0.01 -0.23 -0.04 0.95 0.58 2oq6A1 ASN 137 H -0.11 0.15 0.22 -0.55 8.53 8.24 2oq6A1 ASN 137 HA 0.14 0.17 0.58 -0.75 4.76 4.90 2oq6A1 ASN 137 HB2 0.01 -0.02 0.23 -0.04 2.88 3.05 2oq6A1 ASN 137 HB3 0.05 -0.01 0.06 -0.04 2.79 2.84 2oq6A1 ASN 137 HD21 0.05 0.00 0.05 -0.04 7.03 7.09 2oq6A1 ASN 137 HD22 -0.00 -0.01 0.10 -0.04 7.74 7.79 2oq6A1 GLY 138 H 0.08 0.60 0.31 -0.55 8.43 8.88 2oq6A1 GLY 138 HA2 0.04 -0.02 0.25 -0.51 4.01 3.77 2oq6A1 GLY 138 HA3 0.05 0.12 0.64 -0.51 4.01 4.31 2oq6A1 THR 139 H 0.06 0.33 0.16 -0.55 8.28 8.28 2oq6A1 THR 139 HA 0.14 0.12 0.68 -0.75 4.39 4.57 2oq6A1 THR 139 HB 0.06 0.07 -0.14 -0.04 4.32 4.27 2oq6A1 THR 139 HG23 0.06 0.03 -0.03 -0.04 1.22 1.24 2oq6A1 LEU 140 H 0.17 0.15 0.06 -0.55 8.37 8.21 2oq6A1 LEU 140 HA 0.05 0.22 0.76 -0.75 4.35 4.62 2oq6A1 LEU 140 HB2 -0.61 0.01 -0.02 -0.04 1.64 0.98 2oq6A1 LEU 140 HB3 0.01 -0.00 0.08 -0.04 1.64 1.68 2oq6A1 LEU 140 HG -0.05 -0.02 -0.20 -0.04 1.64 1.33 2oq6A1 LEU 140 HD13 -0.02 0.00 -0.10 -0.04 0.93 0.78 2oq6A1 LEU 140 HD23 0.13 0.03 -0.09 -0.04 0.89 0.92 2oq6A1 TYR 141 H 0.41 -0.05 -0.10 -0.55 8.29 7.99 2oq6A1 TYR 141 HA 0.04 0.19 0.64 -0.75 4.56 4.67 2oq6A1 TYR 141 HB2 0.05 -0.12 0.03 -0.04 3.06 2.98 2oq6A1 TYR 141 HB3 -0.00 0.23 -0.09 -0.04 2.98 3.08 2oq6A1 TYR 141 HD2 0.16 -0.02 0.01 -0.04 7.15 7.26 2oq6A1 TYR 141 HE2 0.35 0.12 -0.09 -0.04 6.85 7.19 2oq6A1 GLU 142 H -0.10 0.65 0.36 -0.55 8.60 8.97 2oq6A1 GLU 142 HA -0.02 0.07 0.65 -0.75 4.29 4.24 2oq6A1 GLU 142 HB2 -0.35 0.07 0.16 -0.04 2.09 1.92 2oq6A1 GLU 142 HB3 -0.10 -0.10 0.11 -0.04 1.99 1.86 2oq6A1 GLU 142 HG2 -0.04 0.02 0.10 -0.04 2.34 2.38 2oq6A1 GLU 142 HG3 -0.12 0.15 0.27 -0.04 2.34 2.60 2oq6A1 LYS 143 H 0.01 0.13 0.15 -0.55 8.42 8.16 2oq6A1 LYS 143 HA 0.01 0.12 0.26 -0.75 4.32 3.95 2oq6A1 HIS 144 H -0.12 -0.00 -0.34 -0.55 8.41 7.40 2oq6A1 HIS 144 HA 0.03 0.16 0.43 -0.75 4.63 4.50 2oq6A1 HIS 144 HB2 0.02 0.02 0.07 -0.04 3.26 3.33 2oq6A1 HIS 144 HB3 0.02 -0.02 0.02 -0.04 3.20 3.16 2oq6A1 HIS 144 HD2 -0.01 -0.05 -0.01 -0.04 6.97 6.86 2oq6A1 HIS 144 HE1 -0.05 0.04 -0.07 -0.04 7.75 7.63 2oq6A1 VAL 145 H -0.29 0.35 -0.31 -0.55 8.24 7.45 2oq6A1 VAL 145 HA 0.08 -0.02 0.53 -0.75 4.13 3.97 2oq6A1 VAL 145 HB 0.13 0.11 0.15 -0.04 2.12 2.46 2oq6A1 VAL 145 HG13 0.40 -0.02 -0.13 -0.04 0.97 1.17 2oq6A1 VAL 145 HG23 -0.38 -0.02 0.08 -0.04 0.95 0.59 2oq6A1 ASP 146 H 0.19 0.11 0.22 -0.55 8.40 8.37 2oq6A1 ASP 146 HA 0.06 0.21 0.59 -0.75 4.63 4.74 2oq6A1 ASP 146 HB2 0.11 -0.04 0.08 -0.04 2.71 2.82 2oq6A1 ASP 146 HB3 0.05 -0.01 0.10 -0.04 2.70 2.80 2oq6A1 GLU 147 H 0.35 0.04 -0.10 -0.55 8.60 8.34 2oq6A1 GLU 147 HA 0.05 0.23 0.78 -0.75 4.29 4.59 2oq6A1 GLU 147 HB2 0.33 -0.02 0.01 -0.04 2.09 2.36 2oq6A1 GLU 147 HB3 -0.24 0.09 -0.13 -0.04 1.99 1.67 2oq6A1 GLU 147 HG2 0.19 0.01 -0.07 -0.04 2.34 2.43 2oq6A1 GLU 147 HG3 0.12 0.08 -0.10 -0.04 2.34 2.40 2oq6A1 TRP 148 H -0.09 0.20 0.12 -0.55 7.97 7.65 2oq6A1 TRP 148 HA -0.56 -0.01 0.21 -0.75 4.62 3.51 2oq6A1 TRP 148 HB2 -0.69 0.11 -0.38 -0.04 3.23 2.24 2oq6A1 TRP 148 HB3 -0.66 -0.02 0.07 -0.04 3.23 2.58 2oq6A1 TRP 148 HD1 -1.11 -0.06 -0.09 -0.04 7.22 5.91 2oq6A1 TRP 148 HE1 -0.81 0.31 -0.04 -0.04 10.20 9.62 2oq6A1 TRP 148 HE3 -1.68 -0.01 -0.09 -0.04 7.59 5.77 2oq6A1 TRP 148 HZ2 -0.33 -0.01 -0.12 -0.04 7.44 6.94 2oq6A1 TRP 148 HZ3 -0.36 0.00 -0.13 -0.04 7.13 6.60 2oq6A1 TRP 148 HH2 -0.11 -0.01 -0.15 -0.04 7.19 6.88 2oq6A1 ASN 149 H -0.14 0.18 -0.48 -0.55 8.53 7.55 2oq6A1 ASN 149 HA -0.70 0.08 0.53 -0.75 4.76 3.92 2oq6A1 ASN 149 HB2 0.01 0.23 -0.20 -0.04 2.88 2.88 2oq6A1 ASN 149 HB3 -0.17 0.00 -0.03 -0.04 2.79 2.55 2oq6A1 ASN 149 HD21 0.01 -0.05 -0.12 -0.04 7.03 6.84 2oq6A1 ASN 149 HD22 0.05 0.64 0.03 -0.04 7.74 8.42 2oq6A1 ILE 150 H -0.91 0.24 0.08 -0.55 8.25 7.10 2oq6A1 ILE 150 HA -0.29 0.05 0.15 -0.75 4.18 3.34 2oq6A1 ILE 150 HB -0.12 -0.06 0.01 -0.04 1.89 1.67 2oq6A1 ILE 150 HG12 0.01 -0.01 -0.15 -0.04 1.49 1.30 2oq6A1 ILE 150 HG13 0.08 0.13 -0.05 -0.04 1.21 1.33 2oq6A1 ILE 150 HG23 0.01 0.00 -0.27 -0.04 0.93 0.64 2oq6A1 ILE 150 HD13 0.38 0.01 -0.17 -0.04 0.88 1.05 2oq6A1 GLY 151 H -0.34 0.03 -0.37 -0.55 8.43 7.21 2oq6A1 GLY 151 HA2 -0.10 0.08 0.47 -0.51 4.01 3.95 2oq6A1 GLY 151 HA3 -0.12 0.02 0.18 -0.51 4.01 3.58 2oq6A1 ARG 152 H -0.24 0.62 -0.41 -0.55 8.46 7.88 2oq6A1 ARG 152 HA -0.14 0.02 0.60 -0.75 4.34 4.06 2oq6A1 ARG 152 HB2 -0.09 -0.05 0.09 -0.04 1.90 1.81 2oq6A1 ARG 152 HB3 -0.08 0.12 -0.14 -0.04 1.80 1.66 2oq6A1 ARG 152 HG2 -0.11 -0.11 -0.20 -0.04 1.67 1.21 2oq6A1 ARG 152 HG3 -0.10 0.03 0.05 -0.04 1.67 1.61 2oq6A1 ARG 152 HD2 -0.04 -0.02 -0.02 -0.04 3.22 3.10 2oq6A1 ARG 152 HD3 -0.05 -0.00 -0.08 -0.04 3.22 3.05 2oq6A1 LEU 153 H -0.28 0.19 -0.01 -0.55 8.37 7.73 2oq6A1 LEU 153 HA -0.50 0.11 0.43 -0.75 4.35 3.64 2oq6A1 LEU 153 HB2 -0.45 -0.05 0.02 -0.04 1.64 1.12 2oq6A1 LEU 153 HB3 -1.06 -0.07 -0.03 -0.04 1.64 0.44 2oq6A1 LEU 153 HG -0.51 0.12 -0.18 -0.04 1.64 1.02 2oq6A1 LEU 153 HD13 -0.66 0.02 -0.16 -0.04 0.93 0.09 2oq6A1 LEU 153 HD23 -1.40 -0.01 -0.35 -0.04 0.89 -0.91 2oq6A1 ARG 154 H -0.16 0.06 -0.16 -0.55 8.46 7.65 2oq6A1 ARG 154 HA -0.07 0.04 0.28 -0.75 4.34 3.84 2oq6A1 ARG 154 HB2 -0.09 0.14 0.06 -0.04 1.90 1.97 2oq6A1 ARG 154 HB3 -0.05 -0.04 0.18 -0.04 1.80 1.85 2oq6A1 ARG 154 HG2 -0.10 0.18 -0.29 -0.04 1.67 1.42 2oq6A1 ARG 154 HG3 -0.06 0.01 -0.03 -0.04 1.67 1.55 2oq6A1 THR 155 H -0.09 0.02 -0.04 -0.55 8.28 7.62 2oq6A1 THR 155 HA -0.03 0.25 0.87 -0.75 4.39 4.72 2oq6A1 THR 155 HB -0.01 0.29 0.30 -0.04 4.32 4.86 2oq6A1 THR 155 HG23 -0.05 0.01 -0.09 -0.04 1.22 1.04 2oq6A1 ILE 156 H 0.01 0.22 0.09 -0.55 8.25 8.02 2oq6A1 ILE 156 HA 0.13 0.17 0.35 -0.75 4.18 4.07 2oq6A1 ILE 156 HB 0.29 0.06 0.03 -0.04 1.89 2.23 2oq6A1 ILE 156 HG12 -0.02 -0.06 -0.26 -0.04 1.49 1.11 2oq6A1 ILE 156 HG13 0.10 -0.01 -0.29 -0.04 1.21 0.97 2oq6A1 ILE 156 HG23 0.01 0.03 -0.01 -0.04 0.93 0.92 2oq6A1 ILE 156 HD13 -0.08 0.07 -0.26 -0.04 0.88 0.57 2oq6A1 LEU 157 H 0.00 0.01 -0.37 -0.55 8.37 7.46 2oq6A1 LEU 157 HA 0.12 0.10 0.41 -0.75 4.35 4.22 2oq6A1 LEU 157 HB2 -0.23 -0.09 -0.03 -0.04 1.64 1.24 2oq6A1 LEU 157 HB3 -0.07 0.04 -0.02 -0.04 1.64 1.54 2oq6A1 LEU 157 HG -0.07 0.00 -0.11 -0.04 1.64 1.42 2oq6A1 LEU 157 HD13 -0.29 -0.00 -0.05 -0.04 0.93 0.55 2oq6A1 LEU 157 HD23 -0.19 0.05 -0.27 -0.04 0.89 0.44 2oq6A1 ASP 158 H 0.03 0.42 -0.33 -0.55 8.40 7.98 2oq6A1 ASP 158 HA 0.01 0.07 0.46 -0.75 4.63 4.41 2oq6A1 ASP 158 HB2 0.02 0.11 0.01 -0.04 2.71 2.80 2oq6A1 ASP 158 HB3 -0.00 0.01 0.04 -0.04 2.70 2.71 2oq6A1 LEU 159 H 0.11 0.50 -0.40 -0.55 8.37 8.03 2oq6A1 LEU 159 HA -0.03 0.05 0.42 -0.75 4.35 4.05 2oq6A1 LEU 159 HB2 -0.12 0.19 0.07 -0.04 1.64 1.73 2oq6A1 LEU 159 HB3 -0.35 -0.04 -0.10 -0.04 1.64 1.12 2oq6A1 LEU 159 HG 0.06 -0.03 0.01 -0.04 1.64 1.63 2oq6A1 LEU 159 HD13 0.11 0.00 -0.04 -0.04 0.93 0.95 2oq6A1 LEU 159 HD23 -0.09 0.00 -0.01 -0.04 0.89 0.75 2oq6A1 VAL 160 H 0.11 0.42 -0.29 -0.55 8.24 7.93 2oq6A1 VAL 160 HA 0.05 0.04 0.43 -0.75 4.13 3.89 2oq6A1 VAL 160 HB 0.08 0.07 0.16 -0.04 2.12 2.38 2oq6A1 VAL 160 HG13 0.08 0.03 -0.11 -0.04 0.97 0.93 2oq6A1 VAL 160 HG23 0.31 -0.00 0.02 -0.04 0.95 1.23 2oq6A1 GLU 161 H 0.02 0.17 -0.02 -0.55 8.60 8.23 2oq6A1 GLU 161 HA 0.01 -0.01 0.35 -0.75 4.29 3.89 2oq6A1 GLU 161 HB2 0.00 0.06 0.07 -0.04 2.09 2.18 2oq6A1 GLU 161 HB3 -0.00 0.02 0.06 -0.04 1.99 2.02 2oq6A1 GLU 161 HG2 0.00 0.01 -0.28 -0.04 2.34 2.03 2oq6A1 GLU 161 HG3 -0.01 0.00 -0.10 -0.04 2.34 2.19 2oq6A1 LYS 162 H -0.00 0.57 -0.14 -0.55 8.42 8.29 2oq6A1 LYS 162 HA -0.01 0.04 0.27 -0.75 4.32 3.86 2oq6A1 GLU 163 H -0.02 0.40 -0.31 -0.55 8.60 8.12 2oq6A1 GLU 163 HA -0.03 0.09 0.40 -0.75 4.29 3.99 2oq6A1 GLU 163 HB2 -0.07 0.13 0.16 -0.04 2.09 2.26 2oq6A1 GLU 163 HB3 -0.04 -0.02 0.03 -0.04 1.99 1.91 2oq6A1 GLU 163 HG2 -0.05 0.02 0.05 -0.04 2.34 2.32 2oq6A1 GLU 163 HG3 -0.09 -0.06 0.01 -0.04 2.34 2.16 2oq6A1 SER 164 H 0.00 0.30 -0.04 -0.55 8.46 8.17 2oq6A1 SER 164 HA 0.01 0.19 0.88 -0.75 4.49 4.82 2oq6A1 SER 164 HB2 0.03 -0.03 0.11 -0.04 3.95 4.02 2oq6A1 SER 164 HB3 0.02 -0.06 0.02 -0.04 3.93 3.87 2oq6A1 GLY 165 H 0.01 0.41 0.07 -0.55 8.43 8.37 2oq6A1 GLY 165 HA2 0.00 0.11 0.33 -0.51 4.01 3.94 2oq6A1 GLY 165 HA3 0.01 0.09 0.59 -0.51 4.01 4.19 2oq6A1 ILE 166 H 0.02 0.07 -0.31 -0.55 8.25 7.49 2oq6A1 ILE 166 HA 0.02 0.09 0.37 -0.75 4.18 3.91 2oq6A1 ILE 166 HB 0.04 -0.06 -0.02 -0.04 1.89 1.80 2oq6A1 ILE 166 HG12 0.03 0.05 -0.06 -0.04 1.49 1.47 2oq6A1 ILE 166 HG13 0.03 0.08 -0.17 -0.04 1.21 1.10 2oq6A1 ILE 166 HG23 0.04 -0.01 -0.26 -0.04 0.93 0.66 2oq6A1 ILE 166 HD13 0.05 -0.01 -0.01 -0.04 0.88 0.88 2oq6A1 THR 167 H 0.01 0.25 0.23 -0.55 8.28 8.22 2oq6A1 THR 167 HA -0.00 0.11 0.80 -0.75 4.39 4.55 2oq6A1 THR 167 HB -0.00 -0.03 -0.04 -0.04 4.32 4.20 2oq6A1 THR 167 HG23 0.00 0.05 -0.06 -0.04 1.22 1.17 2oq6A1 ILE 168 H -0.01 0.15 -0.03 -0.55 8.25 7.81 2oq6A1 ILE 168 HA 0.01 0.22 0.77 -0.75 4.18 4.43 2oq6A1 ILE 168 HB -0.02 -0.16 0.12 -0.04 1.89 1.78 2oq6A1 ILE 168 HG12 0.03 0.11 -0.15 -0.04 1.49 1.44 2oq6A1 ILE 168 HG13 0.02 -0.10 -0.56 -0.04 1.21 0.53 2oq6A1 ILE 168 HG23 0.00 0.05 -0.10 -0.04 0.93 0.85 2oq6A1 ILE 168 HD13 0.04 -0.00 -0.14 -0.04 0.88 0.74 2oq6A1 GLU 169 H 0.01 0.23 0.02 -0.55 8.60 8.31 2oq6A1 GLU 169 HA -0.06 -0.04 0.28 -0.75 4.29 3.72 2oq6A1 GLU 169 HB2 0.10 0.05 0.11 -0.04 2.09 2.31 2oq6A1 GLU 169 HB3 0.22 0.09 -0.00 -0.04 1.99 2.26 2oq6A1 GLU 169 HG2 0.05 -0.00 0.00 -0.04 2.34 2.34 2oq6A1 GLU 169 HG3 0.03 -0.03 0.00 -0.04 2.34 2.30 2oq6A1 GLY 170 H -0.34 0.12 0.02 -0.55 8.43 7.68 2oq6A1 GLY 170 HA2 -0.95 0.10 0.31 -0.51 4.01 2.96 2oq6A1 GLY 170 HA3 -1.33 0.10 0.49 -0.51 4.01 2.77 2oq6A1 VAL 171 H -0.19 0.38 -0.35 -0.55 8.24 7.53 2oq6A1 VAL 171 HA -0.12 0.09 0.77 -0.75 4.13 4.12 2oq6A1 VAL 171 HB -0.07 0.04 0.09 -0.04 2.12 2.14 2oq6A1 VAL 171 HG13 -0.08 -0.01 -0.11 -0.04 0.97 0.72 2oq6A1 VAL 171 HG23 -0.06 0.03 -0.12 -0.04 0.95 0.76 2oq6A1 ASN 172 H -0.08 0.36 0.19 -0.55 8.53 8.46 2oq6A1 ASN 172 HA -0.08 0.25 0.84 -0.75 4.76 5.01 2oq6A1 ASN 172 HB2 -0.04 -0.01 0.17 -0.04 2.88 2.96 2oq6A1 ASN 172 HB3 -0.05 -0.01 -0.01 -0.04 2.79 2.69 2oq6A1 ASN 172 HD21 0.00 0.31 0.14 -0.04 7.03 7.44 2oq6A1 ASN 172 HD22 0.00 -0.07 0.05 -0.04 7.74 7.68 2oq6A1 THR 173 H -0.12 0.07 -0.06 -0.55 8.28 7.62 2oq6A1 THR 173 HA -0.06 0.25 0.40 -0.75 4.39 4.23 2oq6A1 THR 173 HB -0.02 0.10 0.16 -0.04 4.32 4.52 2oq6A1 THR 173 HG23 -0.03 -0.00 -0.19 -0.04 1.22 0.96 2oq6A1 PRO 174 HA -0.01 0.31 0.78 -0.51 4.44 5.01 2oq6A1 PRO 174 HB2 0.07 0.24 -0.02 -0.04 2.28 2.53 2oq6A1 PRO 174 HB3 0.00 -0.05 -0.16 -0.04 2.02 1.77 2oq6A1 PRO 174 HG2 0.03 -0.03 -0.12 -0.04 2.03 1.87 2oq6A1 PRO 174 HG3 -0.02 -0.05 -0.09 -0.04 2.03 1.84 2oq6A1 PRO 174 HD2 -0.01 0.05 0.19 -0.04 3.68 3.87 2oq6A1 PRO 174 HD3 -0.04 0.20 0.12 -0.04 3.65 3.89 2oq6A1 TYR 175 H 0.12 0.75 0.49 -0.55 8.29 9.10 2oq6A1 TYR 175 HA -0.10 0.28 1.02 -0.75 4.56 5.01 2oq6A1 TYR 175 HB2 0.02 0.08 0.15 -0.04 3.06 3.27 2oq6A1 TYR 175 HB3 -0.45 -0.03 -0.10 -0.04 2.98 2.36 2oq6A1 TYR 175 HD2 -0.04 0.08 -0.13 -0.04 7.15 7.02 2oq6A1 TYR 175 HE2 -0.03 -0.03 -0.14 -0.04 6.85 6.61 2oq6A1 LEU 176 H -0.14 0.84 0.32 -0.55 8.37 8.84 2oq6A1 LEU 176 HA -0.10 0.32 1.13 -0.75 4.35 4.95 2oq6A1 LEU 176 HB2 -0.08 -0.00 -0.02 -0.04 1.64 1.50 2oq6A1 LEU 176 HB3 -0.41 -0.03 -0.03 -0.04 1.64 1.13 2oq6A1 LEU 176 HG 0.01 0.14 -0.41 -0.04 1.64 1.35 2oq6A1 LEU 176 HD13 0.10 -0.01 -0.29 -0.04 0.93 0.68 2oq6A1 LEU 176 HD23 -0.01 -0.05 -0.14 -0.04 0.89 0.65 2oq6A1 TYR 177 H -0.28 0.56 0.28 -0.55 8.29 8.30 2oq6A1 TYR 177 HA -0.37 0.25 0.89 -0.75 4.56 4.57 2oq6A1 TYR 177 HB2 -0.20 -0.07 0.08 -0.04 3.06 2.82 2oq6A1 TYR 177 HB3 -0.22 0.03 -0.15 -0.04 2.98 2.60 2oq6A1 TYR 177 HD2 -0.39 0.06 -0.22 -0.04 7.15 6.56 2oq6A1 TYR 177 HE2 -0.05 0.06 -0.11 -0.04 6.85 6.71 2oq6A1 PHE 178 H -0.14 0.81 0.18 -0.55 8.34 8.64 2oq6A1 PHE 178 HA -0.17 0.29 1.16 -0.75 4.62 5.15 2oq6A1 PHE 178 HB2 -0.74 -0.07 0.21 -0.04 3.15 2.52 2oq6A1 PHE 178 HB3 -0.42 0.05 0.08 -0.04 3.06 2.72 2oq6A1 PHE 178 HD2 -0.15 0.12 -0.02 -0.04 7.28 7.19 2oq6A1 PHE 178 HE2 0.01 -0.01 -0.13 -0.04 7.38 7.22 2oq6A1 PHE 178 HZ 0.00 -0.03 -0.12 -0.04 7.32 7.13 2oq6A1 GLY 179 H 0.07 0.48 0.24 -0.55 8.43 8.68 2oq6A1 GLY 179 HA2 0.47 0.08 0.62 -0.51 4.01 4.68 2oq6A1 GLY 179 HA3 0.19 0.04 0.23 -0.51 4.01 3.97 2oq6A1 MET 180 H 0.21 0.21 0.16 -0.55 8.47 8.50 2oq6A1 MET 180 HA 0.32 -0.01 -0.08 -0.75 4.52 4.00 2oq6A1 MET 180 HB2 0.16 0.06 0.17 -0.04 2.15 2.50 2oq6A1 MET 180 HB3 0.09 -0.04 0.08 -0.04 2.03 2.12 2oq6A1 MET 180 HG2 0.11 0.21 0.08 -0.04 2.63 2.99 2oq6A1 MET 180 HG3 0.05 0.21 -0.14 -0.04 2.56 2.64 2oq6A1 MET 180 HE3 -0.59 0.01 -0.02 -0.04 2.10 1.45 2oq6A1 TRP 181 H 0.38 0.12 -0.00 -0.55 7.97 7.92 2oq6A1 TRP 181 HA 0.09 0.04 0.05 -0.75 4.62 4.05 2oq6A1 TRP 181 HB2 0.09 -0.04 0.07 -0.04 3.23 3.31 2oq6A1 TRP 181 HB3 0.09 0.33 0.08 -0.04 3.23 3.69 2oq6A1 TRP 181 HD1 0.04 0.17 -0.20 -0.04 7.22 7.19 2oq6A1 TRP 181 HE1 -0.03 -0.02 -0.09 -0.04 10.20 10.02 2oq6A1 TRP 181 HE3 0.05 0.07 0.18 -0.04 7.59 7.85 2oq6A1 TRP 181 HZ2 -0.13 -0.02 -0.20 -0.04 7.44 7.05 2oq6A1 TRP 181 HZ3 -0.13 -0.10 -0.03 -0.04 7.13 6.83 2oq6A1 TRP 181 HH2 -0.25 -0.03 -0.04 -0.04 7.19 6.83 2oq6A1 LYS 182 H -0.34 0.44 0.25 -0.55 8.42 8.22 2oq6A1 LYS 182 HA -0.79 -0.07 0.30 -0.75 4.32 3.01 2oq6A1 LYS 182 HB2 -2.40 -0.08 -0.53 -0.04 1.87 -1.18 2oq6A1 LYS 182 HB3 -0.71 0.19 -0.04 -0.04 1.79 1.20 2oq6A1 LYS 182 HG2 -0.67 0.03 0.05 -0.04 1.46 0.82 2oq6A1 LYS 182 HG3 -1.04 -0.13 0.00 -0.04 1.46 0.25 2oq6A1 LYS 182 HD2 -0.50 -0.11 -0.34 -0.04 1.69 0.70 2oq6A1 LYS 182 HD3 -0.64 -0.08 -0.15 -0.04 1.68 0.77 2oq6A1 LYS 182 HE2 -0.10 -0.01 -0.07 -0.04 2.99 2.77 2oq6A1 LYS 182 HE3 -0.25 0.01 -0.08 -0.04 2.99 2.63 2oq6A1 THR 183 H -0.20 0.38 -0.46 -0.55 8.28 7.46 2oq6A1 THR 183 HA -0.23 0.16 0.73 -0.75 4.39 4.30 2oq6A1 THR 183 HB -0.88 -0.03 -0.01 -0.04 4.32 3.35 2oq6A1 THR 183 HG23 0.01 0.05 -0.22 -0.04 1.22 1.02 2oq6A1 SER 184 H -0.22 0.22 0.13 -0.55 8.46 8.04 2oq6A1 SER 184 HA -0.21 0.21 0.92 -0.75 4.49 4.65 2oq6A1 SER 184 HB2 -0.10 -0.03 -0.12 -0.04 3.95 3.65 2oq6A1 SER 184 HB3 -0.14 0.02 -0.13 -0.04 3.93 3.63 2oq6A1 PHE 185 H -0.45 0.56 0.17 -0.55 8.34 8.06 2oq6A1 PHE 185 HA -0.05 0.15 0.66 -0.75 4.62 4.63 2oq6A1 PHE 185 HB2 -0.08 0.11 -0.01 -0.04 3.15 3.13 2oq6A1 PHE 185 HB3 -0.07 -0.01 -0.05 -0.04 3.06 2.90 2oq6A1 PHE 185 HD2 -0.15 0.08 -0.31 -0.04 7.28 6.86 2oq6A1 PHE 185 HE2 -0.53 0.01 -0.33 -0.04 7.38 6.49 2oq6A1 PHE 185 HZ -2.03 0.03 -0.26 -0.04 7.32 5.01 2oq6A1 ALA 186 H 0.05 0.18 -0.02 -0.55 8.40 8.06 2oq6A1 ALA 186 HA -0.07 0.03 0.37 -0.75 4.34 3.92 2oq6A1 ALA 186 HB3 0.05 0.02 -0.25 -0.04 1.41 1.19 2oq6A1 TRP 187 H 0.16 0.40 0.26 -0.55 7.97 8.24 2oq6A1 TRP 187 HA 0.10 0.24 0.48 -0.75 4.62 4.69 2oq6A1 TRP 187 HB2 0.00 0.02 0.16 -0.04 3.23 3.37 2oq6A1 TRP 187 HB3 0.01 -0.06 -0.08 -0.04 3.23 3.06 2oq6A1 TRP 187 HD1 0.07 -0.00 0.04 -0.04 7.22 7.28 2oq6A1 TRP 187 HE1 -0.03 0.37 0.10 -0.04 10.20 10.60 2oq6A1 TRP 187 HE3 0.14 -0.01 -0.29 -0.04 7.59 7.38 2oq6A1 TRP 187 HZ2 -0.20 -0.00 -0.15 -0.04 7.44 7.05 2oq6A1 TRP 187 HZ3 0.21 0.17 -0.49 -0.04 7.13 6.98 2oq6A1 TRP 187 HH2 0.18 -0.05 -0.37 -0.04 7.19 6.91 2oq6A1 HIS 188 H 0.09 0.49 0.42 -0.55 8.41 8.87 2oq6A1 HIS 188 HA 0.23 -0.01 0.48 -0.75 4.63 4.58 2oq6A1 HIS 188 HB2 0.02 0.03 0.09 -0.04 3.26 3.36 2oq6A1 HIS 188 HB3 0.05 0.09 -0.33 -0.04 3.20 2.98 2oq6A1 HIS 188 HD2 -0.01 0.11 -0.49 -0.04 6.97 6.54 2oq6A1 HIS 188 HE1 0.12 -0.08 -0.17 -0.04 7.75 7.57 2oq6A1 THR 189 H -0.09 0.11 0.09 -0.55 8.28 7.84 2oq6A1 THR 189 HA -0.24 0.33 0.63 -0.75 4.39 4.36 2oq6A1 THR 189 HB -0.15 -0.10 0.09 -0.04 4.32 4.13 2oq6A1 THR 189 HG23 -1.26 0.01 -0.35 -0.04 1.22 -0.42 2oq6A1 GLU 190 H 0.04 0.18 0.02 -0.55 8.60 8.30 2oq6A1 GLU 190 HA 0.19 0.12 0.44 -0.75 4.29 4.28 2oq6A1 GLU 190 HB2 0.00 0.03 -0.09 -0.04 2.09 2.00 2oq6A1 GLU 190 HB3 0.03 -0.03 -0.01 -0.04 1.99 1.93 2oq6A1 GLU 190 HG2 0.10 0.03 -0.12 -0.04 2.34 2.31 2oq6A1 GLU 190 HG3 -0.01 0.01 -0.50 -0.04 2.34 1.79 2oq6A1 ASP 191 H 0.07 0.15 0.12 -0.55 8.40 8.19 2oq6A1 ASP 191 HA 0.09 0.08 0.52 -0.75 4.63 4.56 2oq6A1 ASP 191 HB2 0.02 -0.02 0.09 -0.04 2.71 2.76 2oq6A1 ASP 191 HB3 0.06 0.01 -0.01 -0.04 2.70 2.72 2oq6A1 MET 192 H 0.12 0.19 0.16 -0.55 8.47 8.40 2oq6A1 MET 192 HA 0.19 0.09 0.28 -0.75 4.52 4.33 2oq6A1 MET 192 HB2 0.22 0.09 -0.14 -0.04 2.15 2.27 2oq6A1 MET 192 HB3 0.48 0.00 0.15 -0.04 2.03 2.63 2oq6A1 MET 192 HG2 0.14 0.00 -0.23 -0.04 2.63 2.50 2oq6A1 MET 192 HG3 0.21 -0.07 -0.11 -0.04 2.56 2.55 2oq6A1 MET 192 HE3 0.21 0.03 0.10 -0.04 2.10 2.39 2oq6A1 ASP 193 H 0.15 0.48 -0.43 -0.55 8.40 8.05 2oq6A1 ASP 193 HA 0.11 0.02 0.25 -0.75 4.63 4.25 2oq6A1 ASP 193 HB2 0.26 0.17 -0.14 -0.04 2.71 2.96 2oq6A1 ASP 193 HB3 0.24 -0.14 0.19 -0.04 2.70 2.94 2oq6A1 LEU 194 H 0.06 0.40 -0.43 -0.55 8.37 7.85 2oq6A1 LEU 194 HA -0.43 -0.04 0.52 -0.75 4.35 3.64 2oq6A1 LEU 194 HB2 -0.17 0.07 0.05 -0.04 1.64 1.54 2oq6A1 LEU 194 HB3 -0.39 0.13 0.20 -0.04 1.64 1.53 2oq6A1 LEU 194 HG -0.38 0.05 -0.10 -0.04 1.64 1.17 2oq6A1 LEU 194 HD13 -0.25 -0.00 -0.09 -0.04 0.93 0.55 2oq6A1 LEU 194 HD23 -1.68 -0.04 -0.10 -0.04 0.89 -0.97 2oq6A1 TYR 195 H -0.26 0.21 0.29 -0.55 8.29 7.98 2oq6A1 TYR 195 HA -0.41 0.23 0.64 -0.75 4.56 4.26 2oq6A1 TYR 195 HB2 -1.94 -0.10 -0.06 -0.04 3.06 0.92 2oq6A1 TYR 195 HB3 -1.42 0.15 0.06 -0.04 2.98 1.73 2oq6A1 TYR 195 HD2 -0.51 0.10 0.05 -0.04 7.15 6.75 2oq6A1 TYR 195 HE2 0.10 -0.11 -0.01 -0.04 6.85 6.79 2oq6A1 SER 196 H -0.22 0.47 0.27 -0.55 8.46 8.43 2oq6A1 SER 196 HA -0.04 0.18 0.79 -0.75 4.49 4.67 2oq6A1 SER 196 HB2 0.06 0.11 0.09 -0.04 3.95 4.17 2oq6A1 SER 196 HB3 0.02 -0.01 -0.10 -0.04 3.93 3.80 2oq6A1 ILE 197 H 0.15 0.62 0.34 -0.55 8.25 8.81 2oq6A1 ILE 197 HA 0.20 0.29 0.98 -0.75 4.18 4.90 2oq6A1 ILE 197 HB 0.21 -0.05 -0.10 -0.04 1.89 1.91 2oq6A1 ILE 197 HG12 0.39 -0.00 -0.22 -0.04 1.49 1.62 2oq6A1 ILE 197 HG13 0.34 0.08 0.00 -0.04 1.21 1.59 2oq6A1 ILE 197 HG23 0.03 0.00 -0.05 -0.04 0.93 0.87 2oq6A1 ILE 197 HD13 -0.17 -0.02 -0.14 -0.04 0.88 0.50 2oq6A1 ASN 198 H 0.22 0.63 0.32 -0.55 8.53 9.16 2oq6A1 ASN 198 HA 0.19 0.29 1.01 -0.75 4.76 5.48 2oq6A1 ASN 198 HB2 0.22 0.01 -0.21 -0.04 2.88 2.86 2oq6A1 ASN 198 HB3 0.15 -0.06 0.08 -0.04 2.79 2.92 2oq6A1 ASN 198 HD21 -0.16 -0.03 -0.19 -0.04 7.03 6.61 2oq6A1 ASN 198 HD22 0.03 0.01 -0.16 -0.04 7.74 7.58 2oq6A1 TYR 199 H 0.22 0.72 0.37 -0.55 8.29 9.04 2oq6A1 TYR 199 HA -0.32 0.32 1.01 -0.75 4.56 4.82 2oq6A1 TYR 199 HB2 -0.11 -0.00 -0.01 -0.04 3.06 2.90 2oq6A1 TYR 199 HB3 -0.09 -0.10 0.15 -0.04 2.98 2.89 2oq6A1 TYR 199 HD2 -1.63 -0.06 -0.23 -0.04 7.15 5.19 2oq6A1 TYR 199 HE2 -0.31 0.09 -0.16 -0.04 6.85 6.42 2oq6A1 LEU 200 H -0.66 0.64 0.18 -0.55 8.37 7.99 2oq6A1 LEU 200 HA -0.33 0.09 0.87 -0.75 4.35 4.23 2oq6A1 LEU 200 HB2 -0.20 0.01 -0.07 -0.04 1.64 1.34 2oq6A1 LEU 200 HB3 -0.34 0.04 0.04 -0.04 1.64 1.34 2oq6A1 LEU 200 HG -0.27 -0.07 -0.30 -0.04 1.64 0.96 2oq6A1 LEU 200 HD13 -0.20 0.03 -0.21 -0.04 0.93 0.50 2oq6A1 LEU 200 HD23 -0.14 0.04 -0.49 -0.04 0.89 0.26 2oq6A1 HIS 201 H -0.28 0.47 0.38 -0.55 8.41 8.42 2oq6A1 HIS 201 HA -0.16 0.02 0.39 -0.75 4.63 4.12 2oq6A1 HIS 201 HB2 -0.46 0.14 0.10 -0.04 3.26 3.01 2oq6A1 HIS 201 HB3 -0.40 -0.05 -0.07 -0.04 3.20 2.64 2oq6A1 HIS 201 HD2 0.02 0.03 -0.19 -0.04 6.97 6.79 2oq6A1 HIS 201 HE1 -0.10 -0.02 -0.25 -0.04 7.75 7.34 2oq6A1 PHE 202 H -0.59 0.38 0.18 -0.55 8.34 7.76 2oq6A1 PHE 202 HA -0.18 0.10 0.41 -0.75 4.62 4.19 2oq6A1 PHE 202 HB2 -0.15 -0.05 0.14 -0.04 3.15 3.05 2oq6A1 PHE 202 HB3 -0.45 0.16 0.02 -0.04 3.06 2.74 2oq6A1 PHE 202 HD2 -0.78 0.05 -0.32 -0.04 7.28 6.19 2oq6A1 PHE 202 HE2 -0.19 0.01 -0.15 -0.04 7.38 7.00 2oq6A1 PHE 202 HZ 0.22 0.01 -0.11 -0.04 7.32 7.39 2oq6A1 GLY 203 H 0.14 0.12 0.17 -0.55 8.43 8.31 2oq6A1 GLY 203 HA2 0.17 0.00 0.34 -0.51 4.01 4.01 2oq6A1 GLY 203 HA3 -0.04 0.18 0.81 -0.51 4.01 4.45 2oq6A1 GLU 204 H 0.06 0.52 0.11 -0.55 8.60 8.74 2oq6A1 GLU 204 HA 0.05 0.07 0.44 -0.75 4.29 4.11 2oq6A1 GLU 204 HB2 0.16 -0.08 -0.18 -0.04 2.09 1.95 2oq6A1 GLU 204 HB3 0.18 0.04 -0.01 -0.04 1.99 2.17 2oq6A1 GLU 204 HG2 0.19 0.07 0.01 -0.04 2.34 2.56 2oq6A1 GLU 204 HG3 0.19 0.01 -0.06 -0.04 2.34 2.44 2oq6A1 PRO 205 HA -0.17 0.20 0.50 -0.51 4.44 4.45 2oq6A1 PRO 205 HB2 -1.19 -0.06 -0.09 -0.04 2.28 0.90 2oq6A1 PRO 205 HB3 -0.31 0.13 -0.05 -0.04 2.02 1.74 2oq6A1 PRO 205 HG2 -0.06 0.01 0.01 -0.04 2.03 1.96 2oq6A1 PRO 205 HG3 -0.08 0.02 0.05 -0.04 2.03 1.97 2oq6A1 PRO 205 HD2 0.07 0.07 0.13 -0.04 3.68 3.91 2oq6A1 PRO 205 HD3 0.05 0.11 0.19 -0.04 3.65 3.95 2oq6A1 LYS 206 H -0.14 0.59 0.27 -0.55 8.42 8.59 2oq6A1 LYS 206 HA -0.17 0.20 0.86 -0.75 4.32 4.45 2oq6A1 LYS 206 HB2 -0.07 0.01 -0.08 -0.04 1.87 1.68 2oq6A1 LYS 206 HB3 0.13 -0.05 0.04 -0.04 1.79 1.88 2oq6A1 LYS 206 HG2 -0.43 0.07 -0.30 -0.04 1.46 0.76 2oq6A1 LYS 206 HG3 -0.17 0.01 -0.22 -0.04 1.46 1.04 2oq6A1 LYS 206 HD2 0.06 -0.03 -0.21 -0.04 1.69 1.47 2oq6A1 LYS 206 HD3 -0.81 0.02 -0.24 -0.04 1.68 0.61 2oq6A1 LYS 206 HE2 -0.09 0.00 -0.18 -0.04 2.99 2.68 2oq6A1 LYS 206 HE3 -0.14 -0.03 -0.19 -0.04 2.99 2.59 2oq6A1 SER 207 H -0.48 0.66 0.27 -0.55 8.46 8.37 2oq6A1 SER 207 HA -0.08 0.14 1.08 -0.75 4.49 4.88 2oq6A1 SER 207 HB2 -1.16 0.05 0.10 -0.04 3.95 2.90 2oq6A1 SER 207 HB3 -0.38 0.03 -0.03 -0.04 3.93 3.50 2oq6A1 TRP 208 H 0.09 0.71 0.45 -0.55 7.97 8.67 2oq6A1 TRP 208 HA -0.14 0.28 1.08 -0.75 4.62 5.09 2oq6A1 TRP 208 HB2 -0.03 -0.07 -0.00 -0.04 3.23 3.09 2oq6A1 TRP 208 HB3 0.07 0.08 -0.05 -0.04 3.23 3.30 2oq6A1 TRP 208 HD1 -0.11 0.04 -0.21 -0.04 7.22 6.90 2oq6A1 TRP 208 HE1 -0.08 -0.03 -0.21 -0.04 10.20 9.84 2oq6A1 TRP 208 HE3 0.17 0.08 -0.14 -0.04 7.59 7.66 2oq6A1 TRP 208 HZ2 -0.16 -0.04 -0.18 -0.04 7.44 7.02 2oq6A1 TRP 208 HZ3 -0.24 0.02 -0.19 -0.04 7.13 6.68 2oq6A1 TRP 208 HH2 -0.21 -0.02 -0.21 -0.04 7.19 6.71 2oq6A1 TYR 209 H 0.10 0.85 0.47 -0.55 8.29 9.16 2oq6A1 TYR 209 HA 0.35 0.25 0.89 -0.75 4.56 5.30 2oq6A1 TYR 209 HB2 -0.14 -0.04 0.01 -0.04 3.06 2.85 2oq6A1 TYR 209 HB3 0.48 0.04 0.05 -0.04 2.98 3.52 2oq6A1 TYR 209 HD2 0.19 0.05 -0.16 -0.04 7.15 7.19 2oq6A1 TYR 209 HE2 0.47 -0.03 -0.12 -0.04 6.85 7.13 2oq6A1 SER 210 H 0.59 0.52 0.34 -0.55 8.46 9.36 2oq6A1 SER 210 HA 0.61 0.00 1.04 -0.75 4.49 5.39 2oq6A1 SER 210 HB2 0.29 0.00 -0.09 -0.04 3.95 4.11 2oq6A1 SER 210 HB3 0.33 0.00 -0.28 -0.04 3.93 3.94 2oq6A1 VAL 211 H 0.44 0.64 0.29 -0.55 8.24 9.06 2oq6A1 VAL 211 HA 0.24 0.28 0.94 -0.75 4.13 4.84 2oq6A1 VAL 211 HB 0.15 -0.12 0.12 -0.04 2.12 2.23 2oq6A1 VAL 211 HG13 0.06 0.07 -0.13 -0.04 0.97 0.92 2oq6A1 VAL 211 HG23 -0.11 0.01 -0.13 -0.04 0.95 0.68 2oq6A1 PRO 212 HA 0.07 0.21 0.30 -0.51 4.44 4.51 2oq6A1 PRO 212 HB2 0.21 -0.24 0.08 -0.04 2.28 2.29 2oq6A1 PRO 212 HB3 0.07 0.34 0.20 -0.04 2.02 2.59 2oq6A1 PRO 212 HG2 0.19 -0.01 0.04 -0.04 2.03 2.21 2oq6A1 PRO 212 HG3 0.11 0.21 0.12 -0.04 2.03 2.42 2oq6A1 PRO 212 HD2 0.19 0.12 0.14 -0.04 3.68 4.10 2oq6A1 PRO 212 HD3 0.18 0.12 0.06 -0.04 3.65 3.96 2oq6A1 PRO 213 HA -0.08 0.19 0.58 -0.51 4.44 4.62 2oq6A1 PRO 213 HB2 -0.06 -0.06 0.04 -0.04 2.28 2.17 2oq6A1 PRO 213 HB3 0.05 0.06 0.05 -0.04 2.02 2.14 2oq6A1 PRO 213 HG2 0.02 0.10 0.02 -0.04 2.03 2.13 2oq6A1 PRO 213 HG3 0.02 0.02 -0.21 -0.04 2.03 1.82 2oq6A1 PRO 213 HD2 -0.01 0.28 0.08 -0.04 3.68 3.98 2oq6A1 PRO 213 HD3 0.04 0.14 0.01 -0.04 3.65 3.80 2oq6A1 GLU 214 H -0.10 0.24 -0.25 -0.55 8.60 7.93 2oq6A1 GLU 214 HA -0.10 0.03 0.47 -0.75 4.29 3.94 2oq6A1 GLU 214 HB2 -0.18 -0.01 0.10 -0.04 2.09 1.96 2oq6A1 GLU 214 HB3 -0.01 -0.06 0.04 -0.04 1.99 1.92 2oq6A1 GLU 214 HG2 -0.13 0.01 -0.03 -0.04 2.34 2.15 2oq6A1 GLU 214 HG3 -0.56 0.03 -0.12 -0.04 2.34 1.64 2oq6A1 HIS 215 H -0.05 0.72 -0.37 -0.55 8.41 8.17 2oq6A1 HIS 215 HA 0.03 0.12 0.92 -0.75 4.63 4.95 2oq6A1 HIS 215 HB2 0.02 0.16 0.11 -0.04 3.26 3.51 2oq6A1 HIS 215 HB3 0.01 -0.07 0.23 -0.04 3.20 3.32 2oq6A1 HIS 215 HD2 0.02 0.07 -0.01 -0.04 6.97 7.00 2oq6A1 HIS 215 HE1 0.02 -0.03 -0.01 -0.04 7.75 7.68 2oq6A1 GLY 216 H 0.06 0.55 -0.07 -0.55 8.43 8.41 2oq6A1 GLY 216 HA2 0.02 0.03 0.29 -0.51 4.01 3.85 2oq6A1 GLY 216 HA3 -0.08 0.16 0.39 -0.51 4.01 3.97 2oq6A1 LYS 217 H 0.20 0.21 -0.20 -0.55 8.42 8.07 2oq6A1 LYS 217 HA 0.17 0.04 0.36 -0.75 4.32 4.13 2oq6A1 LYS 217 HB2 0.11 0.05 0.05 -0.04 1.87 2.03 2oq6A1 LYS 217 HB3 0.08 0.01 0.01 -0.04 1.79 1.84 2oq6A1 LYS 217 HG2 0.23 0.01 0.04 -0.04 1.46 1.70 2oq6A1 LYS 217 HG3 0.09 0.04 0.03 -0.04 1.46 1.57 2oq6A1 LYS 217 HD2 0.08 0.01 0.02 -0.04 1.69 1.76 2oq6A1 LYS 217 HD3 0.18 -0.04 0.02 -0.04 1.68 1.81 2oq6A1 LYS 217 HE2 -0.06 0.01 -0.00 -0.04 2.99 2.90 2oq6A1 LYS 217 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 2oq6A1 ARG 218 H 0.06 0.21 -0.35 -0.55 8.46 7.83 2oq6A1 ARG 218 HA -0.01 0.02 0.50 -0.75 4.34 4.09 2oq6A1 ARG 218 HB2 0.09 -0.04 0.14 -0.04 1.90 2.05 2oq6A1 ARG 218 HB3 0.02 0.13 0.10 -0.04 1.80 2.00 2oq6A1 ARG 218 HG2 -0.02 -0.04 0.05 -0.04 1.67 1.62 2oq6A1 ARG 218 HG3 0.02 -0.05 0.05 -0.04 1.67 1.65 2oq6A1 ARG 218 HD2 -0.01 0.05 -0.02 -0.04 3.22 3.20 2oq6A1 ARG 218 HD3 0.00 0.02 0.01 -0.04 3.22 3.21 2oq6A1 LEU 219 H -0.10 0.43 -0.07 -0.55 8.37 8.09 2oq6A1 LEU 219 HA -0.25 0.04 0.54 -0.75 4.35 3.93 2oq6A1 LEU 219 HB2 -0.32 0.06 0.07 -0.04 1.64 1.41 2oq6A1 LEU 219 HB3 -0.45 0.14 0.14 -0.04 1.64 1.44 2oq6A1 LEU 219 HG -0.66 -0.05 -0.26 -0.04 1.64 0.63 2oq6A1 LEU 219 HD13 -0.66 -0.00 -0.04 -0.04 0.93 0.18 2oq6A1 LEU 219 HD23 -0.96 0.00 -0.09 -0.04 0.89 -0.20 2oq6A1 GLU 220 H -0.18 0.59 -0.06 -0.55 8.60 8.40 2oq6A1 GLU 220 HA -0.19 -0.02 0.48 -0.75 4.29 3.80 2oq6A1 GLU 220 HB2 0.02 0.11 0.14 -0.04 2.09 2.32 2oq6A1 GLU 220 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 2oq6A1 GLU 220 HG2 -0.07 -0.08 0.01 -0.04 2.34 2.16 2oq6A1 GLU 220 HG3 -0.06 0.24 0.05 -0.04 2.34 2.54 2oq6A1 ARG 221 H -0.06 0.60 -0.08 -0.55 8.46 8.37 2oq6A1 ARG 221 HA -0.05 -0.01 0.48 -0.75 4.34 4.01 2oq6A1 ARG 221 HB2 -0.03 -0.01 0.12 -0.04 1.90 1.94 2oq6A1 ARG 221 HB3 -0.07 0.15 0.18 -0.04 1.80 2.02 2oq6A1 LEU 222 H -0.20 0.52 -0.20 -0.55 8.37 7.95 2oq6A1 LEU 222 HA -0.52 0.02 0.48 -0.75 4.35 3.57 2oq6A1 LEU 222 HB2 -0.27 0.12 0.13 -0.04 1.64 1.57 2oq6A1 LEU 222 HB3 -0.30 0.09 0.15 -0.04 1.64 1.54 2oq6A1 LEU 222 HG -1.29 -0.06 -0.17 -0.04 1.64 0.08 2oq6A1 LEU 222 HD13 -0.60 0.01 0.01 -0.04 0.93 0.31 2oq6A1 LEU 222 HD23 -0.02 0.00 -0.10 -0.04 0.89 0.74 2oq6A1 ALA 223 H -0.19 0.69 -0.04 -0.55 8.40 8.31 2oq6A1 ALA 223 HA 0.20 0.00 0.41 -0.75 4.34 4.20 2oq6A1 ALA 223 HB3 0.06 0.01 0.07 -0.04 1.41 1.51 2oq6A1 LYS 224 H 0.03 0.61 -0.20 -0.55 8.42 8.31 2oq6A1 LYS 224 HA 0.16 -0.01 0.29 -0.75 4.32 4.01 2oq6A1 LYS 224 HB2 0.14 0.01 0.11 -0.04 1.87 2.08 2oq6A1 LYS 224 HB3 -0.00 0.15 0.13 -0.04 1.79 2.03 2oq6A1 LYS 224 HG2 -0.01 0.00 -0.20 -0.04 1.46 1.21 2oq6A1 LYS 224 HG3 0.03 -0.08 0.02 -0.04 1.46 1.39 2oq6A1 GLY 225 H -0.20 0.43 -0.28 -0.55 8.43 7.83 2oq6A1 GLY 225 HA2 -0.11 -0.02 0.47 -0.51 4.01 3.84 2oq6A1 GLY 225 HA3 -0.26 0.04 0.29 -0.51 4.01 3.56 2oq6A1 PHE 226 H -0.28 0.43 -0.20 -0.55 8.34 7.73 2oq6A1 PHE 226 HA -0.35 0.02 0.45 -0.75 4.62 3.99 2oq6A1 PHE 226 HB2 -0.36 0.07 0.10 -0.04 3.15 2.91 2oq6A1 PHE 226 HB3 -0.91 -0.08 0.01 -0.04 3.06 2.04 2oq6A1 PHE 226 HD2 -0.23 -0.03 -0.09 -0.04 7.28 6.89 2oq6A1 PHE 226 HE2 -0.47 -0.04 -0.10 -0.04 7.38 6.73 2oq6A1 PHE 226 HZ -1.00 0.00 -0.06 -0.04 7.32 6.21 2oq6A1 PHE 227 H 0.08 0.48 -0.32 -0.55 8.34 8.04 2oq6A1 PHE 227 HA -0.03 0.12 0.77 -0.75 4.62 4.72 2oq6A1 PHE 227 HB2 -0.17 0.02 0.11 -0.04 3.15 3.07 2oq6A1 PHE 227 HB3 -0.14 -0.16 0.10 -0.04 3.06 2.82 2oq6A1 PHE 227 HD2 0.17 0.05 -0.03 -0.04 7.28 7.43 2oq6A1 PHE 227 HE2 0.11 -0.02 -0.14 -0.04 7.38 7.29 2oq6A1 PHE 227 HZ 0.04 -0.03 -0.04 -0.04 7.32 7.25 2oq6A1 PRO 228 HA -0.06 0.21 0.42 -0.51 4.44 4.49 2oq6A1 PRO 228 HB2 -0.03 -0.05 -0.02 -0.04 2.28 2.14 2oq6A1 PRO 228 HB3 -0.04 0.12 0.11 -0.04 2.02 2.17 2oq6A1 PRO 228 HG2 -0.03 -0.10 0.05 -0.04 2.03 1.92 2oq6A1 PRO 228 HG3 -0.04 0.09 0.05 -0.04 2.03 2.09 2oq6A1 PRO 228 HD2 -0.03 0.06 0.01 -0.04 3.68 3.68 2oq6A1 PRO 228 HD3 -0.06 0.42 -0.39 -0.04 3.65 3.58 2oq6A1 GLY 229 H -0.02 0.16 -0.15 -0.55 8.43 7.87 2oq6A1 GLY 229 HA2 -0.03 0.07 0.45 -0.51 4.01 4.00 2oq6A1 GLY 229 HA3 -0.01 0.05 0.25 -0.51 4.01 3.79 2oq6A1 SER 230 H -0.13 0.14 -0.20 -0.55 8.46 7.73 2oq6A1 SER 230 HA -0.09 0.02 0.37 -0.75 4.49 4.03 2oq6A1 SER 230 HB2 -0.90 0.17 0.07 -0.04 3.95 3.24 2oq6A1 SER 230 HB3 -0.46 -0.02 -0.03 -0.04 3.93 3.38 2oq6A1 ALA 231 H -0.45 0.46 -0.15 -0.55 8.40 7.72 2oq6A1 ALA 231 HA -0.05 0.18 0.47 -0.75 4.34 4.19 2oq6A1 ALA 231 HB3 -0.06 0.02 0.09 -0.04 1.41 1.42 2oq6A1 GLN 232 H -0.06 0.46 -0.23 -0.55 8.47 8.09 2oq6A1 GLN 232 HA 0.00 0.05 0.44 -0.75 4.36 4.10 2oq6A1 SER 233 H -0.01 0.33 -0.35 -0.55 8.46 7.89 2oq6A1 SER 233 HA 0.04 0.00 0.61 -0.75 4.49 4.39 2oq6A1 SER 233 HB2 0.05 0.00 0.10 -0.04 3.95 4.06 2oq6A1 SER 233 HB3 0.03 0.00 0.04 -0.04 3.93 3.95 2oq6A1 CYS 234 H 0.06 0.44 -0.34 -0.55 8.50 8.11 2oq6A1 CYS 234 HA 0.10 -0.01 0.46 -0.75 4.58 4.38 2oq6A1 CYS 234 HB2 0.21 0.14 -0.16 -0.04 2.97 3.12 2oq6A1 CYS 234 HB3 0.18 0.06 -0.04 -0.04 2.97 3.13 2oq6A1 GLU 235 H 0.08 0.14 0.07 -0.55 8.60 8.35 2oq6A1 GLU 235 HA 0.10 0.16 0.51 -0.75 4.29 4.31 2oq6A1 ALA 236 H 0.08 0.07 -0.23 -0.55 8.40 7.77 2oq6A1 ALA 236 HA 0.04 0.18 0.34 -0.75 4.34 4.14 2oq6A1 ALA 236 HB3 0.07 0.01 -0.22 -0.04 1.41 1.22 2oq6A1 PHE 237 H 0.22 0.62 -0.38 -0.55 8.34 8.25 2oq6A1 PHE 237 HA -0.80 -0.02 0.16 -0.75 4.62 3.21 2oq6A1 PHE 237 HB2 -0.22 -0.06 -0.01 -0.04 3.15 2.82 2oq6A1 PHE 237 HB3 -0.10 0.36 -0.04 -0.04 3.06 3.24 2oq6A1 PHE 237 HD2 -0.07 0.10 -0.10 -0.04 7.28 7.17 2oq6A1 PHE 237 HE2 -0.13 0.01 -0.11 -0.04 7.38 7.11 2oq6A1 PHE 237 HZ 0.16 0.05 -0.26 -0.04 7.32 7.23 2oq6A1 LEU 238 H -0.71 0.15 -0.21 -0.55 8.37 7.06 2oq6A1 LEU 238 HA -0.41 0.05 0.60 -0.75 4.35 3.83 2oq6A1 LEU 238 HB2 -0.09 -0.03 -0.00 -0.04 1.64 1.48 2oq6A1 LEU 238 HB3 0.03 0.15 0.02 -0.04 1.64 1.79 2oq6A1 LEU 238 HG -0.87 -0.02 0.01 -0.04 1.64 0.71 2oq6A1 LEU 238 HD13 -0.33 0.01 -0.09 -0.04 0.93 0.48 2oq6A1 LEU 238 HD23 -0.35 0.02 -0.01 -0.04 0.89 0.50 2oq6A1 ARG 239 H -0.10 0.41 -0.27 -0.55 8.46 7.94 2oq6A1 ARG 239 HA 0.07 0.11 0.55 -0.75 4.34 4.32 2oq6A1 ARG 239 HB2 0.05 0.10 0.13 -0.04 1.90 2.14 2oq6A1 ARG 239 HB3 0.09 -0.05 0.12 -0.04 1.80 1.92 2oq6A1 ARG 239 HG2 0.08 0.01 0.03 -0.04 1.67 1.74 2oq6A1 ARG 239 HG3 0.05 0.03 0.08 -0.04 1.67 1.79 2oq6A1 ARG 239 HD2 0.09 -0.26 0.14 -0.04 3.22 3.14 2oq6A1 ARG 239 HD3 0.09 -0.03 0.07 -0.04 3.22 3.30 2oq6A1 HIS 240 H -0.18 0.40 -0.34 -0.55 8.41 7.74 2oq6A1 HIS 240 HA 0.03 0.04 0.49 -0.75 4.63 4.44 2oq6A1 HIS 240 HB2 0.05 0.03 0.03 -0.04 3.26 3.33 2oq6A1 HIS 240 HB3 0.03 -0.00 0.08 -0.04 3.20 3.26 2oq6A1 HIS 240 HD2 0.07 -0.04 -0.17 -0.04 6.97 6.78 2oq6A1 HIS 240 HE1 0.11 0.01 -0.07 -0.04 7.75 7.76 2oq6A1 LYS 241 H 0.06 0.45 -0.51 -0.55 8.42 7.86 2oq6A1 LYS 241 HA 0.05 0.13 0.25 -0.75 4.32 3.99 2oq6A1 LYS 241 HB2 0.01 0.10 -0.18 -0.04 1.87 1.76 2oq6A1 LYS 241 HB3 -0.04 -0.10 0.13 -0.04 1.79 1.74 2oq6A1 LYS 241 HG2 -0.12 0.05 -0.08 -0.04 1.46 1.27 2oq6A1 LYS 241 HG3 0.01 0.14 -0.11 -0.04 1.46 1.46 2oq6A1 LYS 241 HD2 -0.06 -0.00 -0.07 -0.04 1.69 1.52 2oq6A1 LYS 241 HD3 -0.32 -0.05 -0.05 -0.04 1.68 1.22 2oq6A1 LYS 241 HE2 -0.24 0.05 -0.05 -0.04 2.99 2.70 2oq6A1 LYS 241 HE3 -0.01 0.02 0.00 -0.04 2.99 2.96 2oq6A1 MET 242 H 0.03 0.05 -0.12 -0.55 8.47 7.89 2oq6A1 MET 242 HA -0.03 0.24 0.89 -0.75 4.52 4.86 2oq6A1 MET 242 HB2 -0.01 -0.07 -0.02 -0.04 2.15 2.01 2oq6A1 MET 242 HB3 -0.18 -0.04 0.17 -0.04 2.03 1.93 2oq6A1 MET 242 HG2 -0.10 0.20 0.06 -0.04 2.63 2.75 2oq6A1 MET 242 HG3 0.02 0.23 -0.37 -0.04 2.56 2.40 2oq6A1 MET 242 HE3 -0.45 0.03 -0.01 -0.04 2.10 1.63 2oq6A1 THR 243 H 0.03 0.13 0.05 -0.55 8.28 7.94 2oq6A1 THR 243 HA -0.09 0.32 0.79 -0.75 4.39 4.66 2oq6A1 THR 243 HB 0.01 0.00 0.17 -0.04 4.32 4.46 2oq6A1 THR 243 HG23 -0.14 0.01 -0.15 -0.04 1.22 0.90 2oq6A1 LEU 244 H 0.20 0.72 0.30 -0.55 8.37 9.05 2oq6A1 LEU 244 HA 0.36 0.08 0.91 -0.75 4.35 4.95 2oq6A1 LEU 244 HB2 0.41 -0.04 -0.05 -0.04 1.64 1.91 2oq6A1 LEU 244 HB3 0.42 0.00 -0.12 -0.04 1.64 1.90 2oq6A1 LEU 244 HG 0.09 -0.00 -0.39 -0.04 1.64 1.30 2oq6A1 LEU 244 HD13 -0.08 0.01 -0.25 -0.04 0.93 0.57 2oq6A1 LEU 244 HD23 0.00 -0.00 -0.28 -0.04 0.89 0.57 2oq6A1 ILE 245 H 0.68 0.25 0.09 -0.55 8.25 8.72 2oq6A1 ILE 245 HA 0.16 0.38 0.98 -0.75 4.18 4.95 2oq6A1 ILE 245 HB 0.02 -0.04 0.01 -0.04 1.89 1.84 2oq6A1 ILE 245 HG12 0.30 0.08 -0.10 -0.04 1.49 1.73 2oq6A1 ILE 245 HG13 0.34 -0.12 -0.63 -0.04 1.21 0.77 2oq6A1 ILE 245 HG23 -0.07 0.03 -0.10 -0.04 0.93 0.75 2oq6A1 ILE 245 HD13 0.01 -0.01 -0.11 -0.04 0.88 0.73 2oq6A1 SER 246 H -0.27 0.54 0.25 -0.55 8.46 8.43 2oq6A1 SER 246 HA -1.90 0.17 0.39 -0.75 4.49 2.39 2oq6A1 SER 246 HB2 -1.45 0.02 0.11 -0.04 3.95 2.59 2oq6A1 SER 246 HB3 -0.91 0.08 0.10 -0.04 3.93 3.17 2oq6A1 PRO 247 HA -0.79 0.14 0.46 -0.51 4.44 3.75 2oq6A1 PRO 247 HB2 0.11 0.04 -0.03 -0.04 2.28 2.35 2oq6A1 PRO 247 HB3 -0.30 0.10 0.06 -0.04 2.02 1.83 2oq6A1 PRO 247 HG2 -0.21 -0.02 0.05 -0.04 2.03 1.81 2oq6A1 PRO 247 HG3 0.09 0.08 0.02 -0.04 2.03 2.18 2oq6A1 PRO 247 HD2 -1.64 0.07 0.20 -0.04 3.68 2.27 2oq6A1 PRO 247 HD3 -0.88 0.23 0.13 -0.04 3.65 3.09 2oq6A1 LEU 248 H -0.35 0.11 -0.21 -0.55 8.37 7.37 2oq6A1 LEU 248 HA -0.04 0.11 0.38 -0.75 4.35 4.05 2oq6A1 LEU 248 HB2 -0.16 -0.03 0.00 -0.04 1.64 1.41 2oq6A1 LEU 248 HB3 -0.07 0.06 -0.05 -0.04 1.64 1.53 2oq6A1 LEU 248 HG -0.08 -0.03 -0.01 -0.04 1.64 1.47 2oq6A1 LEU 248 HD13 -0.02 0.01 -0.03 -0.04 0.93 0.84 2oq6A1 LEU 248 HD23 0.02 0.01 -0.06 -0.04 0.89 0.82 2oq6A1 MET 249 H -0.24 0.09 -0.30 -0.55 8.47 7.47 2oq6A1 MET 249 HA -0.01 0.08 0.56 -0.75 4.52 4.40 2oq6A1 MET 249 HB2 -0.19 0.10 0.09 -0.04 2.15 2.11 2oq6A1 MET 249 HB3 -0.09 0.04 -0.07 -0.04 2.03 1.87 2oq6A1 MET 249 HG2 -0.18 -0.17 -0.02 -0.04 2.63 2.21 2oq6A1 MET 249 HG3 -0.28 0.08 0.00 -0.04 2.56 2.32 2oq6A1 MET 249 HE3 -0.46 0.00 -0.02 -0.04 2.10 1.58 2oq6A1 LEU 250 H -0.21 0.41 -0.16 -0.55 8.37 7.86 2oq6A1 LEU 250 HA -0.03 0.05 0.40 -0.75 4.35 4.02 2oq6A1 LEU 250 HB2 -0.55 0.03 0.06 -0.04 1.64 1.14 2oq6A1 LEU 250 HB3 -0.13 0.13 -0.09 -0.04 1.64 1.50 2oq6A1 LEU 250 HG -0.37 0.12 -0.15 -0.04 1.64 1.21 2oq6A1 LEU 250 HD13 -0.61 0.00 -0.15 -0.04 0.93 0.13 2oq6A1 LEU 250 HD23 -0.36 -0.02 -0.12 -0.04 0.89 0.36 2oq6A1 LYS 251 H 0.03 0.57 -0.17 -0.55 8.42 8.29 2oq6A1 LYS 251 HA 0.16 0.07 0.43 -0.75 4.32 4.23 2oq6A1 LYS 251 HB2 0.13 0.16 0.17 -0.04 1.87 2.28 2oq6A1 LYS 251 HB3 0.05 0.00 -0.03 -0.04 1.79 1.77 2oq6A1 LYS 251 HG2 0.10 -0.00 0.04 -0.04 1.46 1.55 2oq6A1 LYS 251 HG3 0.28 0.01 0.01 -0.04 1.46 1.72 2oq6A1 LYS 251 HD2 0.13 -0.05 -0.05 -0.04 1.69 1.68 2oq6A1 LYS 251 HD3 0.06 -0.00 -0.04 -0.04 1.68 1.65 2oq6A1 LYS 252 H -0.01 0.40 -0.30 -0.55 8.42 7.96 2oq6A1 LYS 252 HA -0.13 -0.01 0.36 -0.75 4.32 3.79 2oq6A1 LYS 252 HB2 -0.09 0.06 0.15 -0.04 1.87 1.94 2oq6A1 LYS 252 HB3 -0.08 0.11 0.14 -0.04 1.79 1.92 2oq6A1 LYS 252 HG2 -0.70 0.02 -0.07 -0.04 1.46 0.66 2oq6A1 LYS 252 HG3 -0.25 -0.05 0.07 -0.04 1.46 1.20 2oq6A1 TYR 253 H 0.11 0.31 -0.44 -0.55 8.29 7.73 2oq6A1 TYR 253 HA -0.00 0.15 0.81 -0.75 4.56 4.77 2oq6A1 TYR 253 HB2 0.03 0.07 0.06 -0.04 3.06 3.18 2oq6A1 TYR 253 HB3 -0.03 -0.04 0.14 -0.04 2.98 3.00 2oq6A1 TYR 253 HD2 0.06 0.12 0.00 -0.04 7.15 7.29 2oq6A1 TYR 253 HE2 0.02 -0.04 -0.03 -0.04 6.85 6.77 2oq6A1 GLY 254 H 0.03 0.33 -0.31 -0.55 8.43 7.93 2oq6A1 GLY 254 HA2 0.01 0.02 0.24 -0.51 4.01 3.77 2oq6A1 GLY 254 HA3 0.01 -0.02 0.22 -0.51 4.01 3.71 2oq6A1 ILE 255 H 0.06 0.53 -0.12 -0.55 8.25 8.17 2oq6A1 ILE 255 HA -0.03 0.13 0.69 -0.75 4.18 4.21 2oq6A1 ILE 255 HB -0.02 -0.10 0.04 -0.04 1.89 1.76 2oq6A1 ILE 255 HG12 0.01 0.04 -0.18 -0.04 1.49 1.31 2oq6A1 ILE 255 HG13 -0.11 -0.08 -0.07 -0.04 1.21 0.90 2oq6A1 ILE 255 HG23 -0.09 0.03 -0.11 -0.04 0.93 0.71 2oq6A1 ILE 255 HD13 -0.07 0.00 -0.24 -0.04 0.88 0.54 2oq6A1 PRO 256 HA -0.01 0.02 0.57 -0.51 4.44 4.51 2oq6A1 PRO 256 HB2 -0.10 0.02 0.06 -0.04 2.28 2.22 2oq6A1 PRO 256 HB3 -0.14 0.03 0.10 -0.04 2.02 1.97 2oq6A1 PRO 256 HG2 -1.31 -0.01 0.10 -0.04 2.03 0.78 2oq6A1 PRO 256 HG3 -0.35 0.05 0.08 -0.04 2.03 1.77 2oq6A1 PRO 256 HD2 -0.20 0.01 0.26 -0.04 3.68 3.71 2oq6A1 PRO 256 HD3 -0.19 0.34 0.36 -0.04 3.65 4.12 2oq6A1 PHE 257 H -0.16 0.24 0.29 -0.55 8.34 8.15 2oq6A1 PHE 257 HA 0.13 0.24 0.72 -0.75 4.62 4.97 2oq6A1 PHE 257 HB2 0.29 0.06 0.14 -0.04 3.15 3.59 2oq6A1 PHE 257 HB3 0.08 0.05 -0.27 -0.04 3.06 2.88 2oq6A1 PHE 257 HD2 0.21 0.24 -0.16 -0.04 7.28 7.52 2oq6A1 PHE 257 HE2 0.18 -0.04 -0.09 -0.04 7.38 7.39 2oq6A1 PHE 257 HZ 0.09 -0.08 -0.06 -0.04 7.32 7.24 2oq6A1 ASP 258 H 0.37 0.53 0.41 -0.55 8.40 9.17 2oq6A1 ASP 258 HA -0.04 0.11 0.78 -0.75 4.63 4.73 2oq6A1 ASP 258 HB2 0.06 0.12 -0.00 -0.04 2.71 2.85 2oq6A1 ASP 258 HB3 0.13 -0.00 0.03 -0.04 2.70 2.82 2oq6A1 LYS 259 H 0.12 0.23 0.25 -0.55 8.42 8.48 2oq6A1 LYS 259 HA 0.20 0.33 1.03 -0.75 4.32 5.13 2oq6A1 LYS 259 HB2 0.16 -0.07 -0.03 -0.04 1.87 1.88 2oq6A1 LYS 259 HB3 0.09 0.07 0.11 -0.04 1.79 2.02 2oq6A1 LYS 259 HG2 0.84 0.07 -0.16 -0.04 1.46 2.17 2oq6A1 LYS 259 HG3 0.34 -0.05 -0.14 -0.04 1.46 1.57 2oq6A1 LYS 259 HD2 0.35 -0.03 -0.05 -0.04 1.69 1.92 2oq6A1 LYS 259 HD3 0.54 -0.00 -0.06 -0.04 1.68 2.12 2oq6A1 LYS 259 HE2 0.84 0.02 -0.07 -0.04 2.99 3.74 2oq6A1 LYS 259 HE3 0.46 0.03 -0.07 -0.04 2.99 3.38 2oq6A1 VAL 260 H 0.02 0.62 0.31 -0.55 8.24 8.63 2oq6A1 VAL 260 HA -0.06 0.06 0.52 -0.75 4.13 3.89 2oq6A1 VAL 260 HB -0.01 0.09 -0.21 -0.04 2.12 1.95 2oq6A1 VAL 260 HG13 -0.07 -0.01 -0.26 -0.04 0.97 0.59 2oq6A1 VAL 260 HG23 -0.07 0.02 -0.09 -0.04 0.95 0.76 2oq6A1 THR 261 H -0.14 0.19 0.12 -0.55 8.28 7.90 2oq6A1 THR 261 HA -0.08 0.21 1.02 -0.75 4.39 4.79 2oq6A1 THR 261 HB -0.24 -0.04 0.08 -0.04 4.32 4.08 2oq6A1 THR 261 HG23 -0.22 0.00 -0.24 -0.04 1.22 0.72 2oq6A1 GLN 262 H 0.07 0.82 0.29 -0.55 8.47 9.10 2oq6A1 GLN 262 HA -0.08 0.07 0.73 -0.75 4.36 4.32 2oq6A1 GLN 262 HB2 -0.07 -0.01 -0.06 -0.04 2.15 1.97 2oq6A1 GLN 262 HB3 0.22 0.05 0.15 -0.04 2.02 2.40 2oq6A1 GLN 262 HG2 -0.08 0.06 -0.30 -0.04 2.40 2.03 2oq6A1 GLN 262 HG3 -0.10 -0.00 -0.20 -0.04 2.39 2.05 2oq6A1 GLN 262 HE21 0.04 -0.10 -0.33 -0.04 6.97 6.54 2oq6A1 GLN 262 HE22 -0.13 0.44 -0.00 -0.04 7.69 7.96 2oq6A1 GLU 263 H -0.09 0.15 0.09 -0.55 8.60 8.20 2oq6A1 GLU 263 HA -0.10 0.12 0.77 -0.75 4.29 4.32 2oq6A1 GLU 263 HB2 -0.06 0.13 -0.04 -0.04 2.09 2.08 2oq6A1 GLU 263 HB3 -0.05 -0.03 0.09 -0.04 1.99 1.97 2oq6A1 GLU 263 HG2 -0.07 -0.04 -0.15 -0.04 2.34 2.04 2oq6A1 GLU 263 HG3 -0.04 0.02 -0.02 -0.04 2.34 2.27 2oq6A1 ALA 264 H -0.08 0.13 0.03 -0.55 8.40 7.93 2oq6A1 ALA 264 HA -0.22 0.07 0.25 -0.75 4.34 3.68 2oq6A1 ALA 264 HB3 -0.05 0.05 -0.00 -0.04 1.41 1.36 2oq6A1 GLY 265 H -0.40 0.75 0.28 -0.55 8.43 8.51 2oq6A1 GLY 265 HA2 -0.05 -0.02 0.38 -0.51 4.01 3.80 2oq6A1 GLY 265 HA3 -0.03 0.07 0.61 -0.51 4.01 4.15 2oq6A1 GLU 266 H -0.28 0.41 -0.09 -0.55 8.60 8.10 2oq6A1 GLU 266 HA -0.06 0.24 1.13 -0.75 4.29 4.86 2oq6A1 GLU 266 HB2 -0.13 -0.01 0.08 -0.04 2.09 2.00 2oq6A1 GLU 266 HB3 -0.08 0.03 0.04 -0.04 1.99 1.93 2oq6A1 GLU 266 HG2 -0.09 0.02 -0.03 -0.04 2.34 2.19 2oq6A1 GLU 266 HG3 -0.08 0.08 -0.28 -0.04 2.34 2.01 2oq6A1 PHE 267 H 0.17 0.65 0.41 -0.55 8.34 9.02 2oq6A1 PHE 267 HA 0.14 0.29 1.11 -0.75 4.62 5.41 2oq6A1 PHE 267 HB2 0.09 0.05 0.20 -0.04 3.15 3.45 2oq6A1 PHE 267 HB3 0.29 -0.03 -0.08 -0.04 3.06 3.20 2oq6A1 PHE 267 HD2 0.12 0.06 -0.08 -0.04 7.28 7.33 2oq6A1 PHE 267 HE2 -0.08 -0.01 -0.08 -0.04 7.38 7.17 2oq6A1 PHE 267 HZ 0.04 0.05 -0.05 -0.04 7.32 7.31 2oq6A1 MET 268 H 0.08 0.68 0.41 -0.55 8.47 9.10 2oq6A1 MET 268 HA -0.14 0.30 0.98 -0.75 4.52 4.91 2oq6A1 MET 268 HB2 -0.66 -0.06 0.01 -0.04 2.15 1.40 2oq6A1 MET 268 HB3 -0.97 0.05 -0.07 -0.04 2.03 1.00 2oq6A1 MET 268 HG2 -0.32 -0.02 -0.22 -0.04 2.63 2.03 2oq6A1 MET 268 HG3 -1.54 -0.01 -0.15 -0.04 2.56 0.82 2oq6A1 MET 268 HE3 -0.55 0.02 -0.27 -0.04 2.10 1.27 2oq6A1 ILE 269 H -0.08 0.71 0.29 -0.55 8.25 8.62 2oq6A1 ILE 269 HA -0.01 0.31 0.99 -0.75 4.18 4.72 2oq6A1 ILE 269 HB -0.09 -0.06 0.04 -0.04 1.89 1.74 2oq6A1 ILE 269 HG12 0.19 -0.05 -0.35 -0.04 1.49 1.24 2oq6A1 ILE 269 HG13 0.11 -0.04 -0.15 -0.04 1.21 1.08 2oq6A1 ILE 269 HG23 -0.42 -0.00 -0.18 -0.04 0.93 0.28 2oq6A1 ILE 269 HD13 0.15 0.01 -0.05 -0.04 0.88 0.94 2oq6A1 THR 270 H -0.18 0.52 0.27 -0.55 8.28 8.35 2oq6A1 THR 270 HA -0.14 0.36 1.04 -0.75 4.39 4.89 2oq6A1 THR 270 HB -0.27 0.23 0.15 -0.04 4.32 4.39 2oq6A1 THR 270 HG23 -0.45 -0.01 -0.17 -0.04 1.22 0.54 2oq6A1 PHE 271 H 0.09 0.61 0.24 -0.55 8.34 8.73 2oq6A1 PHE 271 HA -0.60 0.03 0.64 -0.75 4.62 3.94 2oq6A1 PHE 271 HB2 -0.10 0.08 0.06 -0.04 3.15 3.15 2oq6A1 PHE 271 HB3 -0.24 0.05 0.05 -0.04 3.06 2.88 2oq6A1 PHE 271 HD2 0.00 0.03 -0.40 -0.04 7.28 6.88 2oq6A1 PHE 271 HE2 0.11 -0.02 -0.31 -0.04 7.38 7.12 2oq6A1 PHE 271 HZ 0.07 -0.03 -0.30 -0.04 7.32 7.02 2oq6A1 PRO 272 HA -0.23 0.19 0.36 -0.51 4.44 4.25 2oq6A1 PRO 272 HB2 -1.50 -0.02 0.05 -0.04 2.28 0.77 2oq6A1 PRO 272 HB3 -0.64 0.18 0.15 -0.04 2.02 1.67 2oq6A1 PRO 272 HG2 -0.55 -0.12 0.01 -0.04 2.03 1.33 2oq6A1 PRO 272 HG3 -0.45 0.01 0.05 -0.04 2.03 1.60 2oq6A1 PRO 272 HD2 -0.76 0.07 0.15 -0.04 3.68 3.10 2oq6A1 PRO 272 HD3 -2.20 0.05 0.15 -0.04 3.65 1.60 2oq6A1 TYR 273 H 0.02 0.10 0.20 -0.55 8.29 8.06 2oq6A1 TYR 273 HA -0.11 -0.05 0.32 -0.75 4.56 3.96 2oq6A1 TYR 273 HB2 0.27 -0.05 -0.13 -0.04 3.06 3.10 2oq6A1 TYR 273 HB3 0.14 0.16 0.06 -0.04 2.98 3.29 2oq6A1 TYR 273 HD2 -0.08 0.03 0.11 -0.04 7.15 7.16 2oq6A1 TYR 273 HE2 0.07 -0.05 0.05 -0.04 6.85 6.88 2oq6A1 GLY 274 H -0.05 0.46 -0.21 -0.55 8.43 8.08 2oq6A1 GLY 274 HA2 0.00 0.17 0.84 -0.51 4.01 4.51 2oq6A1 GLY 274 HA3 0.08 0.02 0.42 -0.51 4.01 4.01 2oq6A1 TYR 275 H 0.09 0.22 0.12 -0.55 8.29 8.16 2oq6A1 TYR 275 HA 0.05 0.24 0.45 -0.75 4.56 4.55 2oq6A1 TYR 275 HB2 0.02 0.00 0.12 -0.04 3.06 3.16 2oq6A1 TYR 275 HB3 0.35 -0.01 -0.09 -0.04 2.98 3.19 2oq6A1 TYR 275 HD2 -0.10 0.03 -0.12 -0.04 7.15 6.92 2oq6A1 TYR 275 HE2 -0.21 -0.02 -0.12 -0.04 6.85 6.47 2oq6A1 HIS 276 H -0.15 0.58 0.46 -0.55 8.41 8.75 2oq6A1 HIS 276 HA 0.27 0.23 0.82 -0.75 4.63 5.20 2oq6A1 HIS 276 HB2 0.43 -0.01 0.13 -0.04 3.26 3.78 2oq6A1 HIS 276 HB3 0.30 0.00 -0.07 -0.04 3.20 3.40 2oq6A1 HIS 276 HD2 0.41 -0.04 -0.22 -0.04 6.97 7.08 2oq6A1 HIS 276 HE1 -0.10 -0.15 -0.09 -0.04 7.75 7.37 2oq6A1 ALA 277 H -0.28 0.55 0.39 -0.55 8.40 8.52 2oq6A1 ALA 277 HA -0.60 0.26 0.35 -0.75 4.34 3.60 2oq6A1 ALA 277 HB3 -1.49 -0.01 -0.07 -0.04 1.41 -0.20 2oq6A1 GLY 278 H -1.36 0.62 0.32 -0.55 8.43 7.46 2oq6A1 GLY 278 HA2 -0.47 -0.03 0.31 -0.51 4.01 3.31 2oq6A1 GLY 278 HA3 -1.25 0.22 0.67 -0.51 4.01 3.14 2oq6A1 PHE 279 H -0.79 0.46 0.32 -0.55 8.34 7.78 2oq6A1 PHE 279 HA -0.40 0.23 0.80 -0.75 4.62 4.49 2oq6A1 PHE 279 HB2 -0.69 0.14 -0.00 -0.04 3.15 2.56 2oq6A1 PHE 279 HB3 -1.11 0.03 -0.25 -0.04 3.06 1.69 2oq6A1 PHE 279 HD2 -0.51 0.11 -0.35 -0.04 7.28 6.48 2oq6A1 PHE 279 HE2 -0.04 -0.02 -0.16 -0.04 7.38 7.11 2oq6A1 PHE 279 HZ -0.02 -0.08 -0.14 -0.04 7.32 7.04 2oq6A1 ASN 280 H -0.10 0.69 0.23 -0.55 8.53 8.80 2oq6A1 ASN 280 HA -0.00 0.12 0.95 -0.75 4.76 5.08 2oq6A1 ASN 280 HB2 -0.04 0.16 0.10 -0.04 2.88 3.05 2oq6A1 ASN 280 HB3 0.06 0.04 -0.04 -0.04 2.79 2.81 2oq6A1 ASN 280 HD21 -0.13 -0.03 -0.23 -0.04 7.03 6.60 2oq6A1 ASN 280 HD22 -0.50 0.01 -0.10 -0.04 7.74 7.11 2oq6A1 HIS 281 H 0.26 0.68 0.18 -0.55 8.41 8.99 2oq6A1 HIS 281 HA 0.56 0.07 0.50 -0.75 4.63 5.01 2oq6A1 HIS 281 HB2 0.14 0.03 0.02 -0.04 3.26 3.41 2oq6A1 HIS 281 HB3 0.18 -0.04 -0.03 -0.04 3.20 3.28 2oq6A1 HIS 281 HD2 -0.06 0.05 -0.27 -0.04 6.97 6.65 2oq6A1 HIS 281 HE1 0.30 -0.06 -0.08 -0.04 7.75 7.86 2oq6A1 GLY 282 H 0.27 0.27 -0.20 -0.55 8.43 8.22 2oq6A1 GLY 282 HA2 0.36 0.05 0.36 -0.51 4.01 4.28 2oq6A1 GLY 282 HA3 0.27 0.03 0.28 -0.51 4.01 4.08 2oq6A1 PHE 283 H 0.37 0.13 0.11 -0.55 8.34 8.40 2oq6A1 PHE 283 HA 0.26 0.49 0.55 -0.75 4.62 5.16 2oq6A1 PHE 283 HB2 0.18 0.04 0.13 -0.04 3.15 3.45 2oq6A1 PHE 283 HB3 0.18 -0.07 0.17 -0.04 3.06 3.29 2oq6A1 PHE 283 HD2 0.35 0.06 0.00 -0.04 7.28 7.65 2oq6A1 PHE 283 HE2 0.41 -0.03 -0.08 -0.04 7.38 7.64 2oq6A1 PHE 283 HZ 0.41 -0.05 -0.09 -0.04 7.32 7.54 2oq6A1 ASN 284 H -0.17 0.44 0.41 -0.55 8.53 8.66 2oq6A1 ASN 284 HA -0.51 0.05 0.54 -0.75 4.76 4.08 2oq6A1 ASN 284 HB2 -0.27 0.12 0.18 -0.04 2.88 2.87 2oq6A1 ASN 284 HB3 -0.10 -0.05 -0.12 -0.04 2.79 2.47 2oq6A1 ASN 284 HD21 -0.05 -0.11 -0.18 -0.04 7.03 6.64 2oq6A1 ASN 284 HD22 -0.08 0.44 -0.29 -0.04 7.74 7.78 2oq6A1 CYS 285 H -0.78 0.57 0.30 -0.55 8.50 8.04 2oq6A1 CYS 285 HA -0.64 0.38 0.95 -0.75 4.58 4.52 2oq6A1 CYS 285 HB2 -0.83 0.04 -0.05 -0.04 2.97 2.09 2oq6A1 CYS 285 HB3 -1.93 -0.10 0.11 -0.04 2.97 1.01 2oq6A1 ALA 286 H -0.30 0.65 0.36 -0.55 8.40 8.57 2oq6A1 ALA 286 HA -0.12 0.18 1.19 -0.75 4.34 4.84 2oq6A1 ALA 286 HB3 -0.06 0.00 -0.04 -0.04 1.41 1.27 2oq6A1 GLU 287 H 0.13 0.70 0.44 -0.55 8.60 9.32 2oq6A1 GLU 287 HA 0.19 0.40 1.11 -0.75 4.29 5.23 2oq6A1 GLU 287 HB2 0.52 -0.08 0.01 -0.04 2.09 2.50 2oq6A1 GLU 287 HB3 0.44 -0.05 0.14 -0.04 1.99 2.48 2oq6A1 GLU 287 HG2 0.24 -0.01 -0.10 -0.04 2.34 2.43 2oq6A1 GLU 287 HG3 0.20 0.24 0.09 -0.04 2.34 2.82 2oq6A1 SER 288 H 0.21 0.56 0.42 -0.55 8.46 9.10 2oq6A1 SER 288 HA 0.16 0.23 1.03 -0.75 4.49 5.16 2oq6A1 SER 288 HB2 0.14 -0.07 -0.26 -0.04 3.95 3.72 2oq6A1 SER 288 HB3 0.32 -0.04 -0.02 -0.04 3.93 4.15 2oq6A1 THR 289 H 0.09 0.44 0.40 -0.55 8.28 8.66 2oq6A1 THR 289 HA -0.04 0.34 0.52 -0.75 4.39 4.46 2oq6A1 THR 289 HB -0.03 -0.10 -0.22 -0.04 4.32 3.93 2oq6A1 THR 289 HG23 -0.06 0.06 -0.16 -0.04 1.22 1.02 2oq6A1 ASN 290 H -0.07 0.39 0.32 -0.55 8.53 8.62 2oq6A1 ASN 290 HA -0.06 0.21 1.14 -0.75 4.76 5.29 2oq6A1 ASN 290 HB2 -0.13 0.05 0.25 -0.04 2.88 3.01 2oq6A1 ASN 290 HB3 -0.21 -0.03 0.22 -0.04 2.79 2.73 2oq6A1 ASN 290 HD21 0.01 -0.10 -0.08 -0.04 7.03 6.82 2oq6A1 ASN 290 HD22 -0.09 0.38 0.04 -0.04 7.74 8.03 2oq6A1 PHE 291 H -0.35 0.59 0.23 -0.55 8.34 8.26 2oq6A1 PHE 291 HA -0.23 0.03 0.32 -0.75 4.62 3.98 2oq6A1 PHE 291 HB2 -0.18 -0.19 0.13 -0.04 3.15 2.87 2oq6A1 PHE 291 HB3 -0.20 0.19 -0.14 -0.04 3.06 2.87 2oq6A1 PHE 291 HD2 -0.25 0.04 -0.34 -0.04 7.28 6.69 2oq6A1 PHE 291 HE2 -0.50 0.05 -0.32 -0.04 7.38 6.57 2oq6A1 PHE 291 HZ -0.29 0.04 -0.13 -0.04 7.32 6.89 2oq6A1 ALA 292 H 0.01 0.08 0.19 -0.55 8.40 8.14 2oq6A1 ALA 292 HA -0.27 0.20 0.90 -0.75 4.34 4.41 2oq6A1 ALA 292 HB3 -0.42 0.01 -0.04 -0.04 1.41 0.92 2oq6A1 THR 293 H 0.14 0.23 0.24 -0.55 8.28 8.34 2oq6A1 THR 293 HA -0.07 0.17 0.52 -0.75 4.39 4.25 2oq6A1 THR 293 HB -0.05 -0.07 0.22 -0.04 4.32 4.39 2oq6A1 THR 293 HG23 -0.40 0.05 -0.07 -0.04 1.22 0.77 2oq6A1 ARG 294 H -0.07 0.18 0.17 -0.55 8.46 8.19 2oq6A1 ARG 294 HA -0.20 0.12 0.45 -0.75 4.34 3.96 2oq6A1 ARG 294 HB2 -0.07 -0.08 0.17 -0.04 1.90 1.88 2oq6A1 ARG 294 HB3 -0.12 0.13 0.08 -0.04 1.80 1.86 2oq6A1 ARG 294 HG2 -0.71 0.07 0.06 -0.04 1.67 1.05 2oq6A1 ARG 294 HG3 -0.24 -0.10 0.10 -0.04 1.67 1.38 2oq6A1 ARG 294 HD2 0.02 0.06 0.03 -0.04 3.22 3.29 2oq6A1 ARG 294 HD3 -0.03 -0.08 0.05 -0.04 3.22 3.13 2oq6A1 ARG 295 H 0.06 -0.01 -0.13 -0.55 8.46 7.83 2oq6A1 ARG 295 HA 0.05 0.15 0.46 -0.75 4.34 4.24 2oq6A1 ARG 295 HB2 0.06 -0.09 0.08 -0.04 1.90 1.91 2oq6A1 ARG 295 HB3 0.19 -0.06 0.01 -0.04 1.80 1.89 2oq6A1 ARG 295 HG2 0.22 0.03 -0.20 -0.04 1.67 1.68 2oq6A1 ARG 295 HG3 0.13 0.03 -0.03 -0.04 1.67 1.76 2oq6A1 ARG 295 HD2 0.06 0.37 -0.12 -0.04 3.22 3.49 2oq6A1 ARG 295 HD3 -0.01 -0.15 -0.45 -0.04 3.22 2.57 2oq6A1 TRP 296 H 0.33 0.07 -0.29 -0.55 7.97 7.54 2oq6A1 TRP 296 HA 0.07 0.15 0.42 -0.75 4.62 4.51 2oq6A1 TRP 296 HB2 0.11 0.01 0.17 -0.04 3.23 3.48 2oq6A1 TRP 296 HB3 -0.02 0.00 0.21 -0.04 3.23 3.39 2oq6A1 TRP 296 HD1 -0.11 0.32 -0.03 -0.04 7.22 7.36 2oq6A1 TRP 296 HE1 -0.04 0.57 -0.25 -0.04 10.20 10.44 2oq6A1 TRP 296 HE3 -0.36 0.00 -0.11 -0.04 7.59 7.08 2oq6A1 TRP 296 HZ2 -0.11 0.07 -0.05 -0.04 7.44 7.31 2oq6A1 TRP 296 HZ3 -2.02 -0.03 -0.12 -0.04 7.13 4.91 2oq6A1 TRP 296 HH2 -0.50 0.01 -0.12 -0.04 7.19 6.55 2oq6A1 ILE 297 H -0.12 0.32 -0.35 -0.55 8.25 7.56 2oq6A1 ILE 297 HA -1.30 -0.00 0.14 -0.75 4.18 2.26 2oq6A1 ILE 297 HB -0.20 0.12 0.06 -0.04 1.89 1.83 2oq6A1 ILE 297 HG12 -0.21 -0.05 -0.03 -0.04 1.49 1.15 2oq6A1 ILE 297 HG13 -0.09 -0.04 0.05 -0.04 1.21 1.09 2oq6A1 ILE 297 HG23 -0.26 0.00 -0.23 -0.04 0.93 0.40 2oq6A1 ILE 297 HD13 -0.08 0.03 0.00 -0.04 0.88 0.79 2oq6A1 GLU 298 H -0.23 0.24 -0.22 -0.55 8.60 7.85 2oq6A1 GLU 298 HA -0.29 0.04 0.39 -0.75 4.29 3.68 2oq6A1 GLU 298 HB2 -0.18 -0.03 0.05 -0.04 2.09 1.89 2oq6A1 GLU 298 HB3 -0.27 0.08 -0.02 -0.04 1.99 1.73 2oq6A1 GLU 298 HG2 -0.20 -0.01 -0.16 -0.04 2.34 1.94 2oq6A1 GLU 298 HG3 -0.26 0.05 -0.15 -0.04 2.34 1.94 2oq6A1 TYR 299 H -0.12 0.21 -0.22 -0.55 8.29 7.61 2oq6A1 TYR 299 HA -0.17 0.03 0.40 -0.75 4.56 4.07 2oq6A1 TYR 299 HB2 -0.25 0.10 0.21 -0.04 3.06 3.08 2oq6A1 TYR 299 HB3 -0.02 0.04 0.01 -0.04 2.98 2.97 2oq6A1 TYR 299 HD2 -0.01 0.06 -0.04 -0.04 7.15 7.12 2oq6A1 TYR 299 HE2 0.18 0.02 -0.14 -0.04 6.85 6.87 2oq6A1 GLY 300 H -1.07 0.53 -0.07 -0.55 8.43 7.27 2oq6A1 GLY 300 HA2 -0.09 0.15 0.44 -0.51 4.01 4.01 2oq6A1 GLY 300 HA3 -0.92 -0.07 0.25 -0.51 4.01 2.76 2oq6A1 LYS 301 H -0.38 0.43 -0.23 -0.55 8.42 7.69 2oq6A1 LYS 301 HA 0.01 -0.04 0.44 -0.75 4.32 3.97 2oq6A1 LYS 301 HB2 -0.21 0.15 0.15 -0.04 1.87 1.92 2oq6A1 LYS 301 HB3 0.01 -0.02 0.02 -0.04 1.79 1.76 2oq6A1 LYS 301 HG2 -0.55 -0.09 0.01 -0.04 1.46 0.79 2oq6A1 LYS 301 HG3 -0.42 0.06 0.03 -0.04 1.46 1.09 2oq6A1 LYS 301 HD2 -0.57 -0.11 -0.12 -0.04 1.69 0.84 2oq6A1 LYS 301 HD3 -0.35 -0.00 -0.12 -0.04 1.68 1.16 2oq6A1 LYS 301 HE2 -0.26 0.11 -0.02 -0.04 2.99 2.77 2oq6A1 LYS 301 HE3 -1.33 -0.07 -0.05 -0.04 2.99 1.50 2oq6A1 GLN 302 H -0.12 0.30 -0.35 -0.55 8.47 7.76 2oq6A1 GLN 302 HA -0.01 0.14 0.66 -0.75 4.36 4.40 2oq6A1 GLN 302 HB2 -0.16 0.04 0.03 -0.04 2.15 2.02 2oq6A1 GLN 302 HB3 -0.10 -0.07 0.09 -0.04 2.02 1.90 2oq6A1 GLN 302 HG2 -0.05 0.02 -0.09 -0.04 2.40 2.24 2oq6A1 GLN 302 HG3 -0.11 0.02 -0.08 -0.04 2.39 2.18 2oq6A1 GLN 302 HE21 -0.15 0.12 -0.13 -0.04 6.97 6.77 2oq6A1 GLN 302 HE22 -0.12 -0.11 -0.08 -0.04 7.69 7.33 2oq6A1 ALA 303 H 0.00 0.24 -0.26 -0.55 8.40 7.84 2oq6A1 ALA 303 HA 0.05 -0.05 0.34 -0.75 4.34 3.92 2oq6A1 ALA 303 HB3 0.11 0.02 -0.07 -0.04 1.41 1.43 2oq6A1 VAL 304 H 0.07 0.10 0.16 -0.55 8.24 8.02 2oq6A1 VAL 304 HA 0.06 0.14 0.77 -0.75 4.13 4.34 2oq6A1 VAL 304 HB 0.09 -0.06 0.14 -0.04 2.12 2.24 2oq6A1 VAL 304 HG13 0.06 -0.01 -0.08 -0.04 0.97 0.90 2oq6A1 VAL 304 HG23 0.03 0.03 0.03 -0.04 0.95 1.00 2oq6A1 LEU 305 H 0.07 0.20 0.11 -0.55 8.37 8.20 2oq6A1 LEU 305 HA 0.09 0.11 0.64 -0.75 4.35 4.43 2oq6A1 LEU 305 HB2 0.08 0.00 -0.04 -0.04 1.64 1.63 2oq6A1 LEU 305 HB3 0.09 0.05 0.00 -0.04 1.64 1.74 2oq6A1 LEU 305 HG 0.08 0.18 -0.13 -0.04 1.64 1.74 2oq6A1 LEU 305 HD13 0.09 0.01 -0.00 -0.04 0.93 0.99 2oq6A1 LEU 305 HD23 0.11 0.00 -0.20 -0.04 0.89 0.75 2oq6A1 CYS 306 H 0.09 0.15 0.13 -0.55 8.50 8.33 2oq6A1 CYS 306 HA 0.11 -0.06 0.65 -0.75 4.58 4.53 2oq6A1 CYS 306 HB2 0.15 0.11 0.05 -0.04 2.97 3.23 2oq6A1 CYS 306 HB3 0.13 0.03 0.11 -0.04 2.97 3.20 2oq6A1 SER 307 H 0.10 0.08 0.21 -0.55 8.46 8.30 2oq6A1 SER 307 HA 0.07 0.18 0.70 -0.75 4.49 4.68 2oq6A1 SER 307 HB2 0.06 0.04 0.02 -0.04 3.95 4.02 2oq6A1 SER 307 HB3 0.06 0.04 0.07 -0.04 3.93 4.06 2oq6A1 CYS 308 H 0.13 -0.01 0.03 -0.55 8.50 8.10 2oq6A1 CYS 308 HA 0.06 0.14 0.18 -0.75 4.58 4.20 2oq6A1 CYS 308 HB2 0.07 0.04 0.14 -0.04 2.97 3.18 2oq6A1 CYS 308 HB3 0.11 0.05 0.16 -0.04 2.97 3.25 2oq6A1 ARG 309 H 0.08 0.06 -0.38 -0.55 8.46 7.67 2oq6A1 ARG 309 HA 0.01 0.19 0.89 -0.75 4.34 4.68 2oq6A1 ARG 309 HB2 0.05 -0.05 -0.10 -0.04 1.90 1.75 2oq6A1 ARG 309 HB3 0.01 0.09 -0.03 -0.04 1.80 1.83 2oq6A1 ARG 309 HG2 -0.08 0.08 -0.06 -0.04 1.67 1.57 2oq6A1 ARG 309 HG3 -0.08 -0.14 -0.31 -0.04 1.67 1.11 2oq6A1 ARG 309 HD2 -0.10 -0.04 -0.09 -0.04 3.22 2.95 2oq6A1 ARG 309 HD3 -0.06 0.06 -0.04 -0.04 3.22 3.13 2oq6A1 LYS 310 H 0.02 0.14 0.09 -0.55 8.42 8.11 2oq6A1 LYS 310 HA 0.03 0.09 0.52 -0.75 4.32 4.21 2oq6A1 LYS 310 HB2 0.02 0.01 0.11 -0.04 1.87 1.96 2oq6A1 LYS 310 HB3 0.02 0.02 -0.05 -0.04 1.79 1.75 2oq6A1 LYS 310 HG2 0.02 -0.00 0.01 -0.04 1.46 1.45 2oq6A1 LYS 310 HG3 0.02 0.02 -0.06 -0.04 1.46 1.40 2oq6A1 LYS 310 HD2 0.02 0.01 0.02 -0.04 1.69 1.70 2oq6A1 LYS 310 HD3 0.02 0.00 0.01 -0.04 1.68 1.66 2oq6A1 LYS 310 HE2 0.02 -0.00 0.00 -0.04 2.99 2.96 2oq6A1 LYS 310 HE3 0.02 -0.01 -0.00 -0.04 2.99 2.95 2oq6A1 ASP 311 H 0.04 0.13 0.16 -0.55 8.40 8.19 2oq6A1 ASP 311 HA 0.04 0.04 0.35 -0.75 4.63 4.31 2oq6A1 ASP 311 HB2 0.03 -0.08 -0.15 -0.04 2.71 2.47 2oq6A1 ASP 311 HB3 0.03 0.14 -0.01 -0.04 2.70 2.82 2oq6A1 MET 312 H 0.05 0.08 -0.24 -0.55 8.47 7.82 2oq6A1 MET 312 HA 0.06 0.14 0.58 -0.75 4.52 4.54 2oq6A1 MET 312 HB2 0.07 0.07 -0.05 -0.04 2.15 2.20 2oq6A1 MET 312 HB3 0.08 -0.07 0.03 -0.04 2.03 2.03 2oq6A1 MET 312 HG2 0.06 0.08 -0.36 -0.04 2.63 2.37 2oq6A1 MET 312 HG3 0.10 -0.07 -0.11 -0.04 2.56 2.43 2oq6A1 MET 312 HE3 0.04 0.01 -0.31 -0.04 2.10 1.80 2oq6A1 VAL 313 H 0.07 0.12 0.09 -0.55 8.24 7.96 2oq6A1 VAL 313 HA 0.06 0.10 0.40 -0.75 4.13 3.93 2oq6A1 VAL 313 HB 0.06 -0.06 0.13 -0.04 2.12 2.21 2oq6A1 VAL 313 HG13 0.05 -0.02 -0.24 -0.04 0.97 0.73 2oq6A1 VAL 313 HG23 0.04 0.02 -0.02 -0.04 0.95 0.96 2oq6A1 LYS 314 H 0.08 0.30 0.16 -0.55 8.42 8.40 2oq6A1 LYS 314 HA 0.11 0.11 0.73 -0.75 4.32 4.52 2oq6A1 LYS 314 HB2 0.08 0.07 -0.18 -0.04 1.87 1.80 2oq6A1 LYS 314 HB3 0.08 -0.01 0.07 -0.04 1.79 1.89 2oq6A1 LYS 314 HG2 0.11 -0.07 -0.28 -0.04 1.46 1.18 2oq6A1 LYS 314 HG3 0.11 0.05 -0.02 -0.04 1.46 1.56 2oq6A1 LYS 314 HD2 0.07 0.03 -0.05 -0.04 1.69 1.70 2oq6A1 LYS 314 HD3 0.07 -0.02 -0.05 -0.04 1.68 1.64 2oq6A1 LYS 314 HE2 0.06 0.00 -0.03 -0.04 2.99 2.98 2oq6A1 LYS 314 HE3 0.09 -0.07 -0.07 -0.04 2.99 2.89 2oq6A1 ILE 315 H 0.16 0.24 0.03 -0.55 8.25 8.13 2oq6A1 ILE 315 HA 0.16 0.13 0.84 -0.75 4.18 4.56 2oq6A1 ILE 315 HB 0.27 0.03 0.02 -0.04 1.89 2.17 2oq6A1 ILE 315 HG12 0.12 0.03 -0.11 -0.04 1.49 1.49 2oq6A1 ILE 315 HG13 0.12 -0.06 -0.32 -0.04 1.21 0.91 2oq6A1 ILE 315 HG23 0.38 -0.01 -0.24 -0.04 0.93 1.01 2oq6A1 ILE 315 HD13 0.05 0.00 -0.13 -0.04 0.88 0.77 2oq6A1 SER 316 H 0.17 0.18 0.07 -0.55 8.46 8.33 2oq6A1 SER 316 HA 0.21 0.09 0.61 -0.75 4.49 4.65 2oq6A1 SER 316 HB2 0.14 0.11 0.12 -0.04 3.95 4.28 2oq6A1 SER 316 HB3 0.16 0.01 0.15 -0.04 3.93 4.21 2oq6A1 MET 317 H 0.31 0.25 0.19 -0.55 8.47 8.68 2oq6A1 MET 317 HA 0.37 0.11 0.48 -0.75 4.52 4.73 2oq6A1 MET 317 HB2 0.28 0.06 0.06 -0.04 2.15 2.50 2oq6A1 MET 317 HB3 -0.18 -0.06 0.04 -0.04 2.03 1.78 2oq6A1 MET 317 HG2 0.16 0.16 -0.01 -0.04 2.63 2.89 2oq6A1 MET 317 HG3 -0.03 0.10 -0.33 -0.04 2.56 2.26 2oq6A1 MET 317 HE3 -0.77 -0.02 -0.02 -0.04 2.10 1.26 2oq6A1 ASP 318 H 0.34 0.11 -0.23 -0.55 8.40 8.07 2oq6A1 ASP 318 HA 0.45 0.07 0.22 -0.75 4.63 4.61 2oq6A1 ASP 318 HB2 0.34 0.01 0.08 -0.04 2.71 3.11 2oq6A1 ASP 318 HB3 0.22 0.03 -0.02 -0.04 2.70 2.90 2oq6A1 VAL 319 H 0.09 0.18 -0.24 -0.55 8.24 7.72 2oq6A1 VAL 319 HA -0.06 0.09 0.37 -0.75 4.13 3.78 2oq6A1 VAL 319 HB -0.07 0.04 0.03 -0.04 2.12 2.07 2oq6A1 VAL 319 HG13 -0.47 0.03 -0.17 -0.04 0.97 0.33 2oq6A1 VAL 319 HG23 -0.19 0.02 -0.04 -0.04 0.95 0.69 2oq6A1 PHE 320 H 0.14 0.23 -0.32 -0.55 8.34 7.84 2oq6A1 PHE 320 HA 0.27 0.04 0.45 -0.75 4.62 4.63 2oq6A1 PHE 320 HB2 -0.03 0.17 0.09 -0.04 3.15 3.34 2oq6A1 PHE 320 HB3 0.08 -0.05 -0.04 -0.04 3.06 3.01 2oq6A1 PHE 320 HD2 0.25 0.02 -0.02 -0.04 7.28 7.48 2oq6A1 PHE 320 HE2 0.25 0.07 -0.15 -0.04 7.38 7.50 2oq6A1 PHE 320 HZ 0.14 -0.03 -0.05 -0.04 7.32 7.33 2oq6A1 VAL 321 H -0.02 0.50 -0.10 -0.55 8.24 8.06 2oq6A1 VAL 321 HA -0.09 0.02 0.37 -0.75 4.13 3.68 2oq6A1 VAL 321 HB -0.21 0.05 0.03 -0.04 2.12 1.95 2oq6A1 VAL 321 HG13 -0.08 -0.00 -0.16 -0.04 0.97 0.68 2oq6A1 VAL 321 HG23 -1.22 0.04 -0.07 -0.04 0.95 -0.33 2oq6A1 ARG 322 H -0.01 0.57 -0.12 -0.55 8.46 8.35 2oq6A1 ARG 322 HA -0.24 -0.02 0.25 -0.75 4.34 3.58 2oq6A1 ARG 322 HB2 -0.20 0.15 0.13 -0.04 1.90 1.93 2oq6A1 ARG 322 HB3 -0.24 0.02 -0.08 -0.04 1.80 1.46 2oq6A1 ARG 322 HG2 -0.66 -0.02 0.02 -0.04 1.67 0.96 2oq6A1 ARG 322 HG3 -1.59 -0.03 0.00 -0.04 1.67 0.01 2oq6A1 ARG 322 HD2 -0.24 0.01 -0.03 -0.04 3.22 2.91 2oq6A1 ARG 322 HD3 -0.39 -0.01 -0.03 -0.04 3.22 2.75 2oq6A1 LYS 323 H -0.13 0.42 -0.23 -0.55 8.42 7.92 2oq6A1 LYS 323 HA -0.26 0.06 0.47 -0.75 4.32 3.84 2oq6A1 LYS 323 HB2 -0.32 0.02 0.11 -0.04 1.87 1.64 2oq6A1 LYS 323 HB3 -0.51 0.01 0.14 -0.04 1.79 1.38 2oq6A1 LYS 323 HG2 -1.47 -0.02 -0.17 -0.04 1.46 -0.24 2oq6A1 LYS 323 HG3 -0.47 -0.01 0.05 -0.04 1.46 0.99 2oq6A1 LYS 323 HD2 -0.30 0.02 -0.01 -0.04 1.69 1.36 2oq6A1 LYS 323 HD3 -0.55 -0.05 -0.03 -0.04 1.68 1.01 2oq6A1 LYS 323 HE2 -0.37 -0.02 -0.03 -0.04 2.99 2.53 2oq6A1 LYS 323 HE3 -0.23 0.02 -0.01 -0.04 2.99 2.73 2oq6A1 PHE 324 H 0.06 0.53 -0.10 -0.55 8.34 8.28 2oq6A1 PHE 324 HA 0.00 0.19 0.82 -0.75 4.62 4.87 2oq6A1 PHE 324 HB2 0.04 0.14 0.07 -0.04 3.15 3.36 2oq6A1 PHE 324 HB3 0.02 -0.08 0.12 -0.04 3.06 3.09 2oq6A1 PHE 324 HD2 0.11 0.07 0.05 -0.04 7.28 7.48 2oq6A1 PHE 324 HE2 0.10 -0.01 -0.03 -0.04 7.38 7.40 2oq6A1 PHE 324 HZ 0.07 -0.02 -0.03 -0.04 7.32 7.29 2oq6A1 GLN 325 H 0.05 0.59 -0.10 -0.55 8.47 8.46 2oq6A1 GLN 325 HA 0.04 0.11 0.72 -0.75 4.36 4.48 2oq6A1 GLN 325 HB2 -0.03 0.02 0.16 -0.04 2.15 2.25 2oq6A1 GLN 325 HB3 -0.01 -0.15 0.16 -0.04 2.02 1.97 2oq6A1 GLN 325 HG2 -0.00 0.09 -0.05 -0.04 2.40 2.39 2oq6A1 GLN 325 HG3 0.03 -0.02 -0.38 -0.04 2.39 1.98 2oq6A1 GLN 325 HE21 -0.16 -0.00 -0.11 -0.04 6.97 6.65 2oq6A1 GLN 325 HE22 -0.08 0.04 -0.07 -0.04 7.69 7.53 2oq6A1 PRO 326 HA 0.03 0.06 0.38 -0.51 4.44 4.40 2oq6A1 PRO 326 HB2 -0.01 -0.02 -0.02 -0.04 2.28 2.19 2oq6A1 PRO 326 HB3 -0.05 0.23 0.15 -0.04 2.02 2.31 2oq6A1 PRO 326 HG2 0.00 -0.08 0.03 -0.04 2.03 1.94 2oq6A1 PRO 326 HG3 -0.03 0.11 0.03 -0.04 2.03 2.09 2oq6A1 PRO 326 HD2 0.02 0.12 -0.21 -0.04 3.68 3.57 2oq6A1 PRO 326 HD3 -0.03 0.26 -0.35 -0.04 3.65 3.49 2oq6A1 GLU 327 H 0.03 0.17 -0.22 -0.55 8.60 8.03 2oq6A1 GLU 327 HA 0.04 0.12 0.48 -0.75 4.29 4.17 2oq6A1 GLU 327 HB2 0.03 0.03 0.07 -0.04 2.09 2.17 2oq6A1 GLU 327 HB3 0.02 0.04 0.08 -0.04 1.99 2.08 2oq6A1 GLU 327 HG2 0.02 -0.01 -0.12 -0.04 2.34 2.18 2oq6A1 GLU 327 HG3 0.02 0.05 -0.02 -0.04 2.34 2.34 2oq6A1 ARG 328 H 0.07 0.39 -0.35 -0.55 8.46 8.02 2oq6A1 ARG 328 HA 0.07 0.00 0.50 -0.75 4.34 4.16 2oq6A1 ARG 328 HB2 0.03 0.11 -0.01 -0.04 1.90 1.99 2oq6A1 ARG 328 HB3 0.06 0.00 0.06 -0.04 1.80 1.88 2oq6A1 ARG 328 HG2 0.02 0.00 -0.16 -0.04 1.67 1.49 2oq6A1 ARG 328 HG3 0.02 -0.01 -0.02 -0.04 1.67 1.62 2oq6A1 ARG 328 HD2 -0.01 0.00 -0.03 -0.04 3.22 3.14 2oq6A1 ARG 328 HD3 -0.03 0.00 -0.02 -0.04 3.22 3.13 2oq6A1 TYR 329 H 0.22 0.40 -0.26 -0.55 8.29 8.10 2oq6A1 TYR 329 HA 0.24 0.02 0.21 -0.75 4.56 4.27 2oq6A1 TYR 329 HB2 0.06 0.10 -0.05 -0.04 3.06 3.13 2oq6A1 TYR 329 HB3 0.08 0.08 0.09 -0.04 2.98 3.18 2oq6A1 TYR 329 HD2 0.12 -0.03 -0.13 -0.04 7.15 7.07 2oq6A1 TYR 329 HE2 0.23 -0.01 -0.02 -0.04 6.85 7.01 2oq6A1 LYS 330 H 0.17 0.22 -0.11 -0.55 8.42 8.14 2oq6A1 LYS 330 HA -0.05 0.09 0.43 -0.75 4.32 4.04 2oq6A1 LYS 330 HB2 0.07 0.02 0.09 -0.04 1.87 2.00 2oq6A1 LYS 330 HB3 0.02 0.05 -0.03 -0.04 1.79 1.79 2oq6A1 LEU 331 H 0.06 0.12 -0.21 -0.55 8.37 7.79 2oq6A1 LEU 331 HA 0.01 0.08 0.34 -0.75 4.35 4.01 2oq6A1 LEU 331 HB2 0.04 0.01 0.06 -0.04 1.64 1.71 2oq6A1 LEU 331 HB3 0.08 0.09 0.03 -0.04 1.64 1.80 2oq6A1 LEU 331 HG 0.03 -0.12 -0.47 -0.04 1.64 1.04 2oq6A1 LEU 331 HD13 0.01 0.02 -0.03 -0.04 0.93 0.89 2oq6A1 LEU 331 HD23 0.04 0.01 -0.08 -0.04 0.89 0.81 2oq6A1 TRP 332 H 0.21 0.62 -0.18 -0.55 7.97 8.07 2oq6A1 TRP 332 HA -0.07 -0.06 0.44 -0.75 4.62 4.18 2oq6A1 TRP 332 HB2 -0.05 -0.05 0.04 -0.04 3.23 3.14 2oq6A1 TRP 332 HB3 -0.11 0.08 0.10 -0.04 3.23 3.26 2oq6A1 TRP 332 HD1 -0.05 0.03 0.04 -0.04 7.22 7.19 2oq6A1 TRP 332 HE1 -0.04 0.12 0.02 -0.04 10.20 10.26 2oq6A1 TRP 332 HE3 -0.31 0.09 -0.02 -0.04 7.59 7.31 2oq6A1 TRP 332 HZ2 0.01 0.04 -0.02 -0.04 7.44 7.43 2oq6A1 TRP 332 HZ3 0.11 -0.04 -0.04 -0.04 7.13 7.13 2oq6A1 TRP 332 HH2 0.08 -0.18 -0.09 -0.04 7.19 6.96 2oq6A1 LYS 333 H -0.14 0.58 -0.06 -0.55 8.42 8.25 2oq6A1 LYS 333 HA -0.79 0.03 0.46 -0.75 4.32 3.26 2oq6A1 LYS 333 HB2 -0.53 0.15 0.18 -0.04 1.87 1.63 2oq6A1 LYS 333 HB3 -0.27 0.04 0.09 -0.04 1.79 1.61 2oq6A1 LYS 333 HG2 -0.24 -0.04 0.01 -0.04 1.46 1.16 2oq6A1 LYS 333 HG3 -0.29 0.02 0.07 -0.04 1.46 1.22 2oq6A1 LYS 333 HD2 -0.80 0.01 0.03 -0.04 1.69 0.90 2oq6A1 LYS 333 HD3 -0.36 -0.04 0.01 -0.04 1.68 1.25 2oq6A1 LYS 333 HE2 0.03 -0.02 0.01 -0.04 2.99 2.97 2oq6A1 LYS 333 HE3 -0.16 0.04 0.03 -0.04 2.99 2.85 2oq6A1 ALA 334 H -0.15 0.46 -0.23 -0.55 8.40 7.94 2oq6A1 ALA 334 HA -0.13 0.09 0.60 -0.75 4.34 4.14 2oq6A1 ALA 334 HB3 -0.06 -0.02 0.10 -0.04 1.41 1.38 2oq6A1 GLY 335 H -0.26 0.39 -0.67 -0.55 8.43 7.35 2oq6A1 GLY 335 HA2 -0.18 0.06 0.32 -0.51 4.01 3.70 2oq6A1 GLY 335 HA3 -0.13 0.04 0.42 -0.51 4.01 3.83 2oq6A1 LYS 336 H -0.05 0.57 -0.10 -0.55 8.42 8.29 2oq6A1 LYS 336 HA -0.02 0.22 0.75 -0.75 4.32 4.51 2oq6A1 LYS 336 HB2 -0.01 -0.02 0.01 -0.04 1.87 1.81 2oq6A1 LYS 336 HB3 -0.01 -0.07 0.11 -0.04 1.79 1.78 2oq6A1 LYS 336 HG2 -0.02 -0.00 -0.08 -0.04 1.46 1.31 2oq6A1 LYS 336 HG3 -0.04 0.22 -0.37 -0.04 1.46 1.24 2oq6A1 LYS 336 HD2 -0.02 -0.06 -0.03 -0.04 1.69 1.53 2oq6A1 LYS 336 HD3 -0.02 -0.06 -0.02 -0.04 1.68 1.54 2oq6A1 LYS 336 HE2 -0.03 -0.02 -0.02 -0.04 2.99 2.89 2oq6A1 LYS 336 HE3 -0.04 0.18 0.01 -0.04 2.99 3.10 2oq6A1 ASP 337 H 0.04 0.18 -0.21 -0.55 8.40 7.86 2oq6A1 ASP 337 HA 0.05 0.03 0.53 -0.75 4.63 4.48 2oq6A1 ASP 337 HB2 0.19 -0.06 -0.15 -0.04 2.71 2.65 2oq6A1 ASP 337 HB3 0.26 0.09 0.13 -0.04 2.70 3.14 2oq6A1 ASN 338 H 0.01 0.22 0.11 -0.55 8.53 8.32 2oq6A1 ASN 338 HA -0.01 0.23 0.57 -0.75 4.76 4.80 2oq6A1 ASN 338 HB2 -0.01 -0.03 0.07 -0.04 2.88 2.86 2oq6A1 ASN 338 HB3 -0.02 -0.00 0.12 -0.04 2.79 2.85 2oq6A1 ASN 338 HD21 -0.01 0.00 -0.03 -0.04 7.03 6.95 2oq6A1 ASN 338 HD22 -0.01 -0.05 0.01 -0.04 7.74 7.65 2oq6A1 THR 339 H -0.01 0.03 -0.45 -0.55 8.28 7.29 2oq6A1 THR 339 HA -0.05 -0.01 0.42 -0.75 4.39 4.00 2oq6A1 THR 339 HB -0.08 0.03 -0.04 -0.04 4.32 4.20 2oq6A1 THR 339 HG23 -0.10 -0.00 -0.20 -0.04 1.22 0.88 2oq6A1 VAL 340 H -0.07 0.11 0.17 -0.55 8.24 7.90 2oq6A1 VAL 340 HA -0.11 0.18 0.82 -0.75 4.13 4.27 2oq6A1 VAL 340 HB -0.08 -0.07 0.07 -0.04 2.12 2.01 2oq6A1 VAL 340 HG13 -0.09 0.03 -0.11 -0.04 0.97 0.75 2oq6A1 VAL 340 HG23 -0.05 0.03 -0.01 -0.04 0.95 0.87 2oq6A1 ILE 341 H -0.24 0.19 0.05 -0.55 8.25 7.71 2oq6A1 ILE 341 HA -0.28 0.04 0.46 -0.75 4.18 3.65 2oq6A1 ILE 341 HB -0.56 0.02 0.04 -0.04 1.89 1.36 2oq6A1 ILE 341 HG12 -0.48 -0.05 -0.17 -0.04 1.49 0.75 2oq6A1 ILE 341 HG13 -0.35 0.03 -0.15 -0.04 1.21 0.71 2oq6A1 ILE 341 HG23 -0.78 -0.01 -0.32 -0.04 0.93 -0.23 2oq6A1 ILE 341 HD13 -0.84 0.04 -0.23 -0.04 0.88 -0.19 2oq6A1 ASP 342 H -0.17 0.19 0.14 -0.55 8.40 8.02 2oq6A1 ASP 342 HA -0.14 0.15 0.80 -0.75 4.63 4.68 2oq6A1 ASP 342 HB2 -0.07 0.08 0.09 -0.04 2.71 2.76 2oq6A1 ASP 342 HB3 -0.05 -0.00 0.22 -0.04 2.70 2.82 2oq6A1 HIS 343 H -0.13 0.25 -0.02 -0.55 8.41 7.97 2oq6A1 HIS 343 HA 0.18 0.10 0.22 -0.75 4.63 4.38 2oq6A1 HIS 343 HB2 0.04 -0.00 -0.02 -0.04 3.26 3.23 2oq6A1 HIS 343 HB3 0.12 0.04 -0.00 -0.04 3.20 3.32 2oq6A1 HIS 343 HD2 0.02 0.01 -0.01 -0.04 6.97 6.94 2oq6A1 HIS 343 HE1 -0.00 -0.02 -0.08 -0.04 7.75 7.60 2oq6A1 THR 344 H 0.07 -0.03 -0.47 -0.55 8.28 7.31 2oq6A1 THR 344 HA 0.03 0.18 0.56 -0.75 4.39 4.41 2oq6A1 THR 344 HB 0.02 0.10 0.04 -0.04 4.32 4.43 2oq6A1 THR 344 HG23 0.01 -0.01 -0.04 -0.04 1.22 1.14 2oq6A1 LEU 345 H 0.09 0.22 -0.20 -0.55 8.37 7.93 2oq6A1 LEU 345 HA 0.08 0.12 0.33 -0.75 4.35 4.13 2oq6A1 LEU 345 HB2 0.02 -0.01 0.07 -0.04 1.64 1.68 2oq6A1 LEU 345 HB3 0.01 0.07 0.02 -0.04 1.64 1.70 2oq6A1 LEU 345 HG 0.01 -0.07 0.07 -0.04 1.64 1.60 2oq6A1 LEU 345 HD13 -0.01 -0.02 0.02 -0.04 0.93 0.88 2oq6A1 LEU 345 HD23 0.02 0.00 -0.05 -0.04 0.89 0.82 2oq6A1 PRO 346 HA -0.54 0.04 0.57 -0.51 4.44 4.00 2oq6A1 PRO 346 HB2 -0.09 -0.05 -0.13 -0.04 2.28 1.97 2oq6A1 PRO 346 HB3 -0.10 0.23 -0.16 -0.04 2.02 1.95 2oq6A1 PRO 346 HG2 -0.01 -0.04 -0.09 -0.04 2.03 1.85 2oq6A1 PRO 346 HG3 0.01 0.11 -0.02 -0.04 2.03 2.09 2oq6A1 PRO 346 HD2 0.02 0.00 0.17 -0.04 3.68 3.84 2oq6A1 PRO 346 HD3 0.08 0.31 0.19 -0.04 3.65 4.19 2oq6A1 THR 347 H -0.13 0.06 0.10 -0.55 8.28 7.77 2oq6A1 THR 347 HA -0.00 0.14 0.36 -0.75 4.39 4.13 2oq6A1 THR 347 HB 0.04 0.10 0.13 -0.04 4.32 4.56 2oq6A1 THR 347 HG23 -0.02 -0.03 -0.03 -0.04 1.22 1.11 2oq6A1 PRO 348 HA -0.00 0.19 0.46 -0.51 4.44 4.57 2oq6A1 PRO 348 HB2 -0.00 -0.06 0.08 -0.04 2.28 2.25 2oq6A1 PRO 348 HB3 0.00 0.11 0.10 -0.04 2.02 2.19 2oq6A1 PRO 348 HG2 -0.01 0.03 0.04 -0.04 2.03 2.06 2oq6A1 PRO 348 HG3 -0.00 0.16 0.08 -0.04 2.03 2.22 2oq6A1 PRO 348 HD2 -0.01 -0.18 0.19 -0.04 3.68 3.64 2oq6A1 PRO 348 HD3 -0.00 0.27 0.15 -0.04 3.65 4.03 2oq6A1 GLU 349 H -0.01 0.01 -0.24 -0.55 8.60 7.81 2oq6A1 GLU 349 HA -0.01 0.10 0.33 -0.75 4.29 3.96 2oq6A1 GLU 349 HB2 -0.01 -0.00 0.00 -0.04 2.09 2.04 2oq6A1 GLU 349 HB3 -0.01 0.06 0.11 -0.04 1.99 2.10 2oq6A1 GLU 349 HG2 -0.03 0.05 0.05 -0.04 2.34 2.37 2oq6A1 GLU 349 HG3 -0.01 0.06 0.04 -0.04 2.34 2.39 2oq6A1 ALA 350 H 0.02 0.48 -0.53 -0.55 8.40 7.81 2oq6A1 ALA 350 HA 0.25 0.06 0.55 -0.75 4.34 4.44 2oq6A1 ALA 350 HB3 0.04 0.05 0.03 -0.04 1.41 1.49 2oq6A1 ALA 351 H 0.01 0.50 -0.19 -0.55 8.40 8.16 2oq6A1 ALA 351 HA 0.01 0.08 0.36 -0.75 4.34 4.04 2oq6A1 ALA 351 HB3 -0.02 0.01 0.09 -0.04 1.41 1.45 2oq6A1 GLU 352 H -0.10 0.15 -0.18 -0.55 8.60 7.92 2oq6A1 GLU 352 HA -0.15 0.02 0.42 -0.75 4.29 3.82 2oq6A1 GLU 352 HB2 -0.24 -0.03 0.09 -0.04 2.09 1.87 2oq6A1 GLU 352 HB3 -0.43 0.10 0.04 -0.04 1.99 1.66 2oq6A1 GLU 352 HG2 -1.33 0.06 -0.35 -0.04 2.34 0.67 2oq6A1 GLU 352 HG3 -0.41 -0.02 -0.04 -0.04 2.34 1.84 2oq6A1 PHE 353 H -0.03 0.31 -0.39 -0.55 8.34 7.67 2oq6A1 PHE 353 HA 0.05 0.11 0.67 -0.75 4.62 4.69 2oq6A1 PHE 353 HB2 0.03 0.12 0.05 -0.04 3.15 3.30 2oq6A1 PHE 353 HB3 0.12 0.01 0.08 -0.04 3.06 3.24 2oq6A1 PHE 353 HD2 0.06 0.04 -0.06 -0.04 7.28 7.27 2oq6A1 PHE 353 HE2 -0.01 0.00 -0.02 -0.04 7.38 7.31 2oq6A1 PHE 353 HZ 0.00 -0.04 -0.07 -0.04 7.32 7.17 2oq6A1 LEU 354 H 0.08 0.31 -0.07 -0.55 8.37 8.13 2oq6A1 LEU 354 HA 0.08 0.17 0.84 -0.75 4.35 4.68 2oq6A1 LEU 354 HB2 0.04 -0.04 0.06 -0.04 1.64 1.65 2oq6A1 LEU 354 HB3 0.03 -0.04 0.12 -0.04 1.64 1.71 2oq6A1 LEU 354 HG 0.09 -0.02 -0.11 -0.04 1.64 1.56 2oq6A1 LEU 354 HD13 0.03 -0.04 -0.17 -0.04 0.93 0.71 2oq6A1 LEU 354 HD23 0.03 0.03 0.06 -0.04 0.89 0.96 2oq6A1 LYS 355 H 0.01 0.27 -0.16 -0.55 8.42 7.99 2oq6A1 LYS 355 HA 0.01 0.12 0.51 -0.75 4.32 4.20