============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 79 rings ring int. center anis. iso. PHE 13 1.000 34.061 12.122 -3.596 -99.200 -91.000 HIS 15 0.900 30.200 8.012 -13.013 -99.200 -91.000 TRP 17 1.040 37.674 7.027 -4.880 -99.200 -91.000 TRP6 17 1.020 39.549 8.452 -4.673 -99.200 -91.000 TYR 20 0.840 42.328 9.234 -9.224 -99.200 -91.000 TYR 23 0.840 38.853 2.935 -16.885 -99.200 -91.000 PHE 25 1.000 45.704 5.304 -5.966 -99.200 -91.000 HIS 27 0.900 49.935 7.665 -13.952 -99.200 -91.000 HIS 37 0.900 48.442 7.093 -17.117 -99.200 -91.000 TRP 44 1.040 54.880 15.089 -6.011 -99.200 -91.000 TRP6 44 1.020 55.168 17.431 -6.137 -99.200 -91.000 HIS 70 0.900 48.950 8.636 -3.525 -99.200 -91.000 PHE 76 1.000 54.065 15.974 -1.400 -99.200 -91.000 PHE 86 1.000 47.416 29.905 -7.540 -99.200 -91.000 TYR 92 0.840 49.991 17.796 -5.022 -99.200 -91.000 TYR 100 0.840 47.154 17.161 11.992 -99.200 -91.000 PHE 133 1.000 63.767 26.187 -4.704 -99.200 -91.000 PHE 135 1.000 57.817 32.104 0.100 -99.200 -91.000 TYR 143 0.840 62.818 34.141 -8.971 -99.200 -91.000 HIS 151 0.900 68.065 23.790 -4.790 -99.200 -91.000 TRP 171 1.040 53.315 28.688 2.176 -99.200 -91.000 TRP6 171 1.020 55.575 27.986 2.121 -99.200 -91.000 TYR 183 0.840 57.450 25.766 7.565 -99.200 -91.000 TYR 193 0.840 57.942 43.815 -0.304 -99.200 -91.000 PHE 205 1.000 39.847 53.697 -9.046 -99.200 -91.000 PHE 220 1.000 51.570 46.308 -6.161 -99.200 -91.000 TRP 227 1.040 37.754 42.645 -7.369 -99.200 -91.000 TRP6 227 1.020 36.810 41.758 -5.389 -99.200 -91.000 PHE 234 1.000 46.015 41.478 -2.496 -99.200 -91.000 TYR 235 0.840 42.006 42.890 -4.825 -99.200 -91.000 TYR 237 0.840 44.055 32.535 0.347 -99.200 -91.000 TYR 242 0.840 38.687 40.608 10.966 -99.200 -91.000 TYR 244 0.840 44.702 30.739 10.901 -99.200 -91.000 PHE 249 1.000 46.862 36.935 10.352 -99.200 -91.000 TYR 252 0.840 47.231 40.009 6.235 -99.200 -91.000 TRP 256 1.040 37.785 42.061 1.624 -99.200 -91.000 TRP6 256 1.020 35.596 42.633 2.308 -99.200 -91.000 HIS 266 0.900 36.285 54.781 -8.036 -99.200 -91.000 HIS 270 0.900 24.518 48.738 -12.666 -99.200 -91.000 PHE 279 1.000 27.631 40.245 -15.809 -99.200 -91.000 TYR 283 0.840 40.742 53.018 -14.031 -99.200 -91.000 TYR 288 0.840 36.109 52.385 -15.164 -99.200 -91.000 HIS 294 0.900 32.636 29.398 -13.698 -99.200 -91.000 PHE 298 1.000 37.077 36.071 -5.878 -99.200 -91.000 PHE 303 1.000 32.238 43.157 -2.671 -99.200 -91.000 PHE 315 1.000 31.756 46.215 2.631 -99.200 -91.000 PHE 318 1.000 29.212 45.407 -5.484 -99.200 -91.000 TYR 330 0.840 26.735 28.538 -13.963 -99.200 -91.000 TRP 342 1.040 30.177 37.629 -18.707 -99.200 -91.000 TRP6 342 1.020 30.801 36.033 -17.077 -99.200 -91.000 TRP 344 1.040 29.858 44.500 -19.249 -99.200 -91.000 TRP6 344 1.020 31.332 42.959 -18.216 -99.200 -91.000 PHE 356 1.000 23.049 34.537 -25.219 -99.200 -91.000 TYR 357 0.840 23.533 43.629 -25.012 -99.200 -91.000 PHE 362 1.000 25.893 36.502 -21.010 -99.200 -91.000 TYR 363 0.840 30.175 41.064 -26.033 -99.200 -91.000 TYR 369 0.840 31.520 23.823 -15.957 -99.200 -91.000 PHE 379 1.000 24.616 30.506 -8.157 -99.200 -91.000 TYR 380 0.840 28.431 26.503 1.290 -99.200 -91.000 TYR 381 0.840 31.573 31.532 1.074 -99.200 -91.000 HIS 383 0.900 20.744 27.727 1.940 -99.200 -91.000 TYR 391 0.840 20.209 33.659 -2.652 -99.200 -91.000 TRP 394 1.040 18.869 30.499 -8.568 -99.200 -91.000 TRP6 394 1.020 19.460 32.785 -8.338 -99.200 -91.000 TRP 396 1.040 18.574 19.689 -7.483 -99.200 -91.000 TRP6 396 1.020 19.736 17.764 -6.744 -99.200 -91.000 PHE 399 1.000 25.042 17.296 -8.493 -99.200 -91.000 PHE 412 1.000 30.572 13.723 -12.913 -99.200 -91.000 TYR 427 0.840 37.916 21.290 -23.275 -99.200 -91.000 PHE 433 1.000 39.511 23.077 -11.170 -99.200 -91.000 PHE 435 1.000 37.538 12.954 -7.916 -99.200 -91.000 TYR 441 0.840 32.712 25.614 -2.197 -99.200 -91.000 TYR 443 0.840 27.373 15.986 1.562 -99.200 -91.000 HIS 446 0.900 21.341 20.671 -2.293 -99.200 -91.000 TRP 452 1.040 31.403 19.873 7.609 -99.200 -91.000 TRP6 452 1.020 31.584 17.815 8.749 -99.200 -91.000 PHE 462 1.000 36.758 23.279 10.520 -99.200 -91.000 TYR 464 0.840 34.751 25.527 3.344 -99.200 -91.000 HIS 469 0.900 41.445 20.922 -0.310 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ri8B1 SER 2036 HA -0.09 0.02 0.25 -0.75 4.49 3.91 2ri8B1 SER 2036 HB2 -0.07 0.06 0.09 -0.04 3.95 3.98 2ri8B1 SER 2036 HB3 -0.08 -0.07 0.17 -0.04 3.93 3.90 2ri8B1 ASN 2037 H -0.08 0.22 0.14 -0.55 8.53 8.26 2ri8B1 ASN 2037 HA -0.07 0.01 0.41 -0.75 4.76 4.35 2ri8B1 ASN 2037 HB2 -0.03 -0.03 0.12 -0.04 2.88 2.90 2ri8B1 ASN 2037 HB3 0.00 0.25 0.12 -0.04 2.79 3.12 2ri8B1 ASN 2037 HD21 -0.07 -0.03 0.06 -0.04 7.03 6.95 2ri8B1 ASN 2037 HD22 -0.04 0.07 0.05 -0.04 7.74 7.78 2ri8B1 GLN 2038 H -0.04 0.11 -0.47 -0.55 8.47 7.52 2ri8B1 GLN 2038 HA 0.01 0.15 0.46 -0.75 4.36 4.23 2ri8B1 GLN 2038 HB2 -0.01 -0.01 0.06 -0.04 2.15 2.16 2ri8B1 GLN 2038 HB3 0.00 0.02 -0.05 -0.04 2.02 1.94 2ri8B1 GLN 2038 HG2 0.02 0.03 0.04 -0.04 2.40 2.45 2ri8B1 GLN 2038 HG3 0.01 -0.01 0.01 -0.04 2.39 2.37 2ri8B1 GLN 2038 HE21 0.07 -0.01 0.05 -0.04 6.97 7.05 2ri8B1 GLN 2038 HE22 0.05 0.04 0.07 -0.04 7.69 7.81 2ri8B1 ALA 2039 H -0.05 0.39 -0.11 -0.55 8.40 8.09 2ri8B1 ALA 2039 HA 0.02 0.04 0.52 -0.75 4.34 4.16 2ri8B1 ALA 2039 HB3 -0.04 0.01 0.12 -0.04 1.41 1.45 2ri8B1 LYS 2040 H -0.23 0.62 0.02 -0.55 8.42 8.27 2ri8B1 LYS 2040 HA -0.24 -0.01 0.35 -0.75 4.32 3.67 2ri8B1 LYS 2040 HB2 -0.51 0.11 0.10 -0.04 1.87 1.53 2ri8B1 LYS 2040 HB3 -1.29 0.02 -0.03 -0.04 1.79 0.44 2ri8B1 LYS 2040 HG2 -2.14 -0.02 -0.02 -0.04 1.46 -0.76 2ri8B1 LYS 2040 HG3 -0.70 0.01 -0.12 -0.04 1.46 0.61 2ri8B1 LYS 2040 HD2 -0.53 0.00 -0.07 -0.04 1.69 1.05 2ri8B1 LYS 2040 HD3 -1.79 0.02 -0.04 -0.04 1.68 -0.18 2ri8B1 LYS 2040 HE2 -1.22 0.01 -0.05 -0.04 2.99 1.68 2ri8B1 LYS 2040 HE3 -0.52 -0.05 -0.09 -0.04 2.99 2.30 2ri8B1 ALA 2041 H -0.03 0.59 -0.32 -0.55 8.40 8.09 2ri8B1 ALA 2041 HA 0.16 0.02 0.33 -0.75 4.34 4.10 2ri8B1 ALA 2041 HB3 0.12 0.08 -0.03 -0.04 1.41 1.54 2ri8B1 ASP 2042 H 0.09 0.38 -0.33 -0.55 8.40 7.99 2ri8B1 ASP 2042 HA 0.10 0.01 0.49 -0.75 4.63 4.48 2ri8B1 ASP 2042 HB2 0.08 0.16 0.21 -0.04 2.71 3.12 2ri8B1 ASP 2042 HB3 0.08 -0.09 0.05 -0.04 2.70 2.70 2ri8B1 ALA 2043 H 0.16 0.62 -0.09 -0.55 8.40 8.54 2ri8B1 ALA 2043 HA 0.22 -0.03 0.38 -0.75 4.34 4.15 2ri8B1 ALA 2043 HB3 0.48 0.04 0.08 -0.04 1.41 1.97 2ri8B1 VAL 2044 H 0.16 0.44 -0.52 -0.55 8.24 7.76 2ri8B1 VAL 2044 HA 0.04 0.02 0.49 -0.75 4.13 3.93 2ri8B1 VAL 2044 HB 0.11 0.24 0.12 -0.04 2.12 2.55 2ri8B1 VAL 2044 HG13 -0.10 -0.05 -0.09 -0.04 0.97 0.69 2ri8B1 VAL 2044 HG23 -0.55 0.06 -0.16 -0.04 0.95 0.27 2ri8B1 LYS 2045 H 0.07 0.45 0.01 -0.55 8.42 8.39 2ri8B1 LYS 2045 HA -0.06 0.01 0.44 -0.75 4.32 3.95 2ri8B1 LYS 2045 HB2 0.01 0.10 0.18 -0.04 1.87 2.12 2ri8B1 LYS 2045 HB3 -0.07 -0.07 0.05 -0.04 1.79 1.66 2ri8B1 LYS 2045 HG2 -0.53 -0.04 0.05 -0.04 1.46 0.90 2ri8B1 LYS 2045 HG3 -0.22 0.16 0.11 -0.04 1.46 1.47 2ri8B1 LYS 2045 HD2 -0.07 0.02 -0.00 -0.04 1.69 1.60 2ri8B1 LYS 2045 HD3 0.01 -0.05 0.02 -0.04 1.68 1.62 2ri8B1 LYS 2045 HE2 -0.27 -0.01 0.04 -0.04 2.99 2.70 2ri8B1 LYS 2045 HE3 -0.07 0.09 0.07 -0.04 2.99 3.05 2ri8B1 GLU 2046 H 0.15 0.52 -0.32 -0.55 8.60 8.41 2ri8B1 GLU 2046 HA 0.17 0.00 0.43 -0.75 4.29 4.14 2ri8B1 GLU 2046 HB2 0.14 0.04 0.07 -0.04 2.09 2.30 2ri8B1 GLU 2046 HB3 0.18 0.19 0.08 -0.04 1.99 2.39 2ri8B1 GLU 2046 HG2 0.14 -0.07 0.05 -0.04 2.34 2.42 2ri8B1 GLU 2046 HG3 0.12 -0.00 -0.01 -0.04 2.34 2.40 2ri8B1 ALA 2047 H 0.29 0.37 -0.27 -0.55 8.40 8.24 2ri8B1 ALA 2047 HA 0.41 0.04 0.40 -0.75 4.34 4.44 2ri8B1 ALA 2047 HB3 0.38 0.06 0.10 -0.04 1.41 1.91 2ri8B1 PHE 2048 H 0.37 0.47 -0.22 -0.55 8.34 8.40 2ri8B1 PHE 2048 HA 0.23 -0.03 0.38 -0.75 4.62 4.45 2ri8B1 PHE 2048 HB2 0.06 0.03 0.07 -0.04 3.15 3.26 2ri8B1 PHE 2048 HB3 0.05 0.18 0.14 -0.04 3.06 3.39 2ri8B1 PHE 2048 HD2 0.08 0.04 -0.20 -0.04 7.28 7.15 2ri8B1 PHE 2048 HE2 -0.13 0.01 -0.04 -0.04 7.38 7.18 2ri8B1 PHE 2048 HZ -0.34 0.02 -0.03 -0.04 7.32 6.93 2ri8B1 GLN 2049 H 0.38 0.55 -0.19 -0.55 8.47 8.66 2ri8B1 GLN 2049 HA 0.38 -0.04 0.39 -0.75 4.36 4.34 2ri8B1 GLN 2049 HB2 0.23 0.14 0.14 -0.04 2.15 2.62 2ri8B1 GLN 2049 HB3 0.23 0.09 0.13 -0.04 2.02 2.43 2ri8B1 GLN 2049 HG2 0.15 0.00 -0.01 -0.04 2.40 2.50 2ri8B1 GLN 2049 HG3 0.20 -0.03 -0.08 -0.04 2.39 2.44 2ri8B1 GLN 2049 HE21 0.27 -0.05 -0.02 -0.04 6.97 7.12 2ri8B1 GLN 2049 HE22 0.29 -0.01 -0.01 -0.04 7.69 7.92 2ri8B1 HIS 2050 H 0.35 0.70 -0.11 -0.55 8.41 8.80 2ri8B1 HIS 2050 HA 0.11 -0.01 0.36 -0.75 4.63 4.33 2ri8B1 HIS 2050 HB2 0.11 0.01 0.10 -0.04 3.26 3.46 2ri8B1 HIS 2050 HB3 0.19 0.17 0.17 -0.04 3.20 3.69 2ri8B1 HIS 2050 HD2 -0.67 -0.07 -0.13 -0.04 6.97 6.05 2ri8B1 HIS 2050 HE1 -0.06 0.06 -0.08 -0.04 7.75 7.62 2ri8B1 ALA 2051 H 0.27 0.45 -0.21 -0.55 8.40 8.37 2ri8B1 ALA 2051 HA -0.13 0.16 0.56 -0.75 4.34 4.18 2ri8B1 ALA 2051 HB3 0.08 -0.01 0.07 -0.04 1.41 1.51 2ri8B1 TRP 2052 H 0.35 0.63 -0.09 -0.55 7.97 8.31 2ri8B1 TRP 2052 HA 0.04 -0.08 0.41 -0.75 4.62 4.24 2ri8B1 TRP 2052 HB2 -0.26 0.04 0.11 -0.04 3.23 3.09 2ri8B1 TRP 2052 HB3 0.02 0.10 0.15 -0.04 3.23 3.46 2ri8B1 TRP 2052 HD1 0.00 0.03 -0.13 -0.04 7.22 7.08 2ri8B1 TRP 2052 HE1 -0.10 -0.01 -0.05 -0.04 10.20 10.00 2ri8B1 TRP 2052 HE3 -1.02 -0.00 -0.02 -0.04 7.59 6.51 2ri8B1 TRP 2052 HZ2 -0.25 0.01 -0.03 -0.04 7.44 7.13 2ri8B1 TRP 2052 HZ3 -0.60 0.05 -0.10 -0.04 7.13 6.43 2ri8B1 TRP 2052 HH2 -0.15 -0.02 -0.02 -0.04 7.19 6.96 2ri8B1 ASN 2053 H 0.15 0.74 -0.17 -0.55 8.53 8.70 2ri8B1 ASN 2053 HA -0.06 -0.04 0.43 -0.75 4.76 4.33 2ri8B1 ASN 2053 HB2 0.01 0.24 0.19 -0.04 2.88 3.29 2ri8B1 ASN 2053 HB3 -0.01 -0.06 0.01 -0.04 2.79 2.69 2ri8B1 ASN 2053 HD21 0.12 -0.08 -0.08 -0.04 7.03 6.96 2ri8B1 ASN 2053 HD22 0.11 0.03 -0.04 -0.04 7.74 7.80 2ri8B1 GLY 2054 H -0.08 0.58 0.02 -0.55 8.43 8.41 2ri8B1 GLY 2054 HA2 0.02 -0.02 0.45 -0.51 4.01 3.95 2ri8B1 GLY 2054 HA3 0.01 0.33 0.47 -0.51 4.01 4.31 2ri8B1 TYR 2055 H 0.06 0.63 -0.13 -0.55 8.29 8.29 2ri8B1 TYR 2055 HA -0.04 -0.09 0.41 -0.75 4.56 4.09 2ri8B1 TYR 2055 HB2 0.03 -0.05 0.07 -0.04 3.06 3.07 2ri8B1 TYR 2055 HB3 -0.40 0.18 0.15 -0.04 2.98 2.87 2ri8B1 TYR 2055 HD2 -0.79 0.00 -0.11 -0.04 7.15 6.22 2ri8B1 TYR 2055 HE2 -0.22 0.04 -0.29 -0.04 6.85 6.35 2ri8B1 MET 2056 H -0.51 0.69 -0.08 -0.55 8.47 8.03 2ri8B1 MET 2056 HA -0.68 -0.07 0.41 -0.75 4.52 3.42 2ri8B1 MET 2056 HB2 -0.90 0.06 0.15 -0.04 2.15 1.41 2ri8B1 MET 2056 HB3 -0.36 0.11 0.13 -0.04 2.03 1.86 2ri8B1 MET 2056 HG2 -0.24 -0.04 -0.02 -0.04 2.63 2.29 2ri8B1 MET 2056 HG3 -0.26 0.03 -0.07 -0.04 2.56 2.22 2ri8B1 MET 2056 HE3 -0.18 -0.00 -0.03 -0.04 2.10 1.85 2ri8B1 LYS 2057 H -0.27 0.56 -0.18 -0.55 8.42 7.97 2ri8B1 LYS 2057 HA -0.25 0.03 0.45 -0.75 4.32 3.80 2ri8B1 LYS 2057 HB2 -0.29 -0.03 0.09 -0.04 1.87 1.60 2ri8B1 LYS 2057 HB3 -0.46 0.06 0.15 -0.04 1.79 1.50 2ri8B1 LYS 2057 HG2 -1.04 0.04 -0.30 -0.04 1.46 0.11 2ri8B1 LYS 2057 HG3 -0.39 -0.06 0.02 -0.04 1.46 1.00 2ri8B1 LYS 2057 HD2 -0.30 -0.02 -0.02 -0.04 1.69 1.31 2ri8B1 LYS 2057 HD3 -0.93 0.01 -0.04 -0.04 1.68 0.68 2ri8B1 LYS 2057 HE2 -0.48 0.01 -0.04 -0.04 2.99 2.44 2ri8B1 LYS 2057 HE3 -0.23 -0.03 -0.02 -0.04 2.99 2.67 2ri8B1 TYR 2058 H -0.10 0.53 -0.02 -0.55 8.29 8.15 2ri8B1 TYR 2058 HA -0.04 0.24 1.00 -0.75 4.56 5.00 2ri8B1 TYR 2058 HB2 -0.05 -0.03 -0.03 -0.04 3.06 2.92 2ri8B1 TYR 2058 HB3 -0.04 -0.01 -0.25 -0.04 2.98 2.64 2ri8B1 TYR 2058 HD2 -0.05 0.07 0.04 -0.04 7.15 7.18 2ri8B1 TYR 2058 HE2 -0.04 -0.02 -0.02 -0.04 6.85 6.73 2ri8B1 ALA 2059 H -0.11 0.42 0.08 -0.55 8.40 8.23 2ri8B1 ALA 2059 HA 0.10 0.24 0.99 -0.75 4.34 4.92 2ri8B1 ALA 2059 HB3 0.13 0.00 -0.13 -0.04 1.41 1.37 2ri8B1 PHE 2060 H -0.41 0.51 0.12 -0.55 8.34 8.01 2ri8B1 PHE 2060 HA -0.52 -0.07 0.38 -0.75 4.62 3.66 2ri8B1 PHE 2060 HB2 -0.94 -0.06 0.02 -0.04 3.15 2.13 2ri8B1 PHE 2060 HB3 -0.41 0.19 0.14 -0.04 3.06 2.94 2ri8B1 PHE 2060 HD2 -0.21 -0.01 -0.06 -0.04 7.28 6.96 2ri8B1 PHE 2060 HE2 -0.20 -0.02 -0.03 -0.04 7.38 7.09 2ri8B1 PHE 2060 HZ 0.12 0.00 0.00 -0.04 7.32 7.40 2ri8B1 PRO 2061 HA -0.56 -0.01 0.31 -0.51 4.44 3.67 2ri8B1 PRO 2061 HB2 -0.27 0.02 0.13 -0.04 2.28 2.11 2ri8B1 PRO 2061 HB3 -1.47 0.02 0.06 -0.04 2.02 0.59 2ri8B1 PRO 2061 HG2 -0.42 -0.00 -0.07 -0.04 2.03 1.50 2ri8B1 PRO 2061 HG3 -0.40 0.03 0.03 -0.04 2.03 1.65 2ri8B1 PRO 2061 HD2 -0.40 0.09 0.30 -0.04 3.68 3.63 2ri8B1 PRO 2061 HD3 -0.59 0.11 0.05 -0.04 3.65 3.17 2ri8B1 HIS 2062 H -0.09 0.83 0.21 -0.55 8.41 8.82 2ri8B1 HIS 2062 HA -0.07 0.03 0.51 -0.75 4.63 4.35 2ri8B1 HIS 2062 HB2 -0.03 0.21 0.13 -0.04 3.26 3.52 2ri8B1 HIS 2062 HB3 -0.01 -0.04 0.13 -0.04 3.20 3.24 2ri8B1 HIS 2062 HD2 -0.38 0.26 -0.09 -0.04 6.97 6.72 2ri8B1 HIS 2062 HE1 -0.29 -0.03 -0.04 -0.04 7.75 7.35 2ri8B1 ASP 2063 H 0.13 0.10 0.29 -0.55 8.40 8.38 2ri8B1 ASP 2063 HA 0.16 -0.23 0.46 -0.75 4.63 4.27 2ri8B1 ASP 2063 HB2 0.09 0.08 0.31 -0.04 2.71 3.15 2ri8B1 ASP 2063 HB3 0.08 -0.02 0.10 -0.04 2.70 2.82 2ri8B1 GLU 2064 H 0.18 0.49 -0.00 -0.55 8.60 8.72 2ri8B1 GLU 2064 HA 0.21 0.14 0.42 -0.75 4.29 4.31 2ri8B1 GLU 2064 HB2 0.05 0.25 0.15 -0.04 2.09 2.50 2ri8B1 GLU 2064 HB3 0.03 -0.01 -0.03 -0.04 1.99 1.93 2ri8B1 GLU 2064 HG2 0.06 0.00 -0.20 -0.04 2.34 2.16 2ri8B1 GLU 2064 HG3 -0.00 0.06 -0.14 -0.04 2.34 2.22 2ri8B1 LEU 2065 H 0.21 0.13 0.11 -0.55 8.37 8.28 2ri8B1 LEU 2065 HA 0.15 0.34 0.68 -0.75 4.35 4.77 2ri8B1 LEU 2065 HB2 0.28 0.04 -0.00 -0.04 1.64 1.92 2ri8B1 LEU 2065 HB3 0.19 -0.04 0.05 -0.04 1.64 1.79 2ri8B1 LEU 2065 HG 0.03 -0.14 -0.69 -0.04 1.64 0.80 2ri8B1 LEU 2065 HD13 0.08 0.08 -0.22 -0.04 0.93 0.84 2ri8B1 LEU 2065 HD23 0.05 -0.01 -0.29 -0.04 0.89 0.60 2ri8B1 THR 2066 H 0.00 0.57 -0.08 -0.55 8.28 8.22 2ri8B1 THR 2066 HA -0.01 0.14 0.50 -0.75 4.39 4.26 2ri8B1 THR 2066 HB -0.05 -0.04 -0.04 -0.04 4.32 4.15 2ri8B1 THR 2066 HG23 -0.03 0.03 -0.32 -0.04 1.22 0.86 2ri8B1 PRO 2067 HA -0.07 0.08 0.24 -0.51 4.44 4.18 2ri8B1 PRO 2067 HB2 -0.03 0.07 -0.34 -0.04 2.28 1.94 2ri8B1 PRO 2067 HB3 -0.02 0.04 -0.17 -0.04 2.02 1.83 2ri8B1 PRO 2067 HG2 -0.00 0.06 -0.06 -0.04 2.03 1.99 2ri8B1 PRO 2067 HG3 0.00 0.27 -0.18 -0.04 2.03 2.08 2ri8B1 PRO 2067 HD2 -0.01 -0.02 -0.24 -0.04 3.68 3.38 2ri8B1 PRO 2067 HD3 -0.00 0.32 -0.24 -0.04 3.65 3.69 2ri8B1 VAL 2068 H -0.04 -0.04 -0.28 -0.55 8.24 7.33 2ri8B1 VAL 2068 HA -0.05 0.25 0.81 -0.75 4.13 4.38 2ri8B1 VAL 2068 HB -0.03 -0.11 -0.05 -0.04 2.12 1.89 2ri8B1 VAL 2068 HG13 -0.03 0.03 -0.12 -0.04 0.97 0.81 2ri8B1 VAL 2068 HG23 0.01 0.03 -0.25 -0.04 0.95 0.69 2ri8B1 SER 2069 H -0.08 -0.05 -0.08 -0.55 8.46 7.70 2ri8B1 SER 2069 HA -0.10 0.22 0.67 -0.75 4.49 4.53 2ri8B1 SER 2069 HB2 -0.10 0.07 0.04 -0.04 3.95 3.92 2ri8B1 SER 2069 HB3 -0.07 -0.03 0.01 -0.04 3.93 3.80 2ri8B1 ASN 2070 H -0.18 0.09 -0.27 -0.55 8.53 7.63 2ri8B1 ASN 2070 HA -0.39 -0.02 0.24 -0.75 4.76 3.84 2ri8B1 ASN 2070 HB2 -0.49 0.20 0.06 -0.04 2.88 2.62 2ri8B1 ASN 2070 HB3 -1.76 0.01 0.15 -0.04 2.79 1.15 2ri8B1 ASN 2070 HD21 -0.19 -0.05 -0.10 -0.04 7.03 6.64 2ri8B1 ASN 2070 HD22 -0.32 0.03 -0.09 -0.04 7.74 7.32 2ri8B1 GLY 2071 H -0.13 0.07 0.01 -0.55 8.43 7.83 2ri8B1 GLY 2071 HA2 -0.08 0.32 0.67 -0.51 4.01 4.42 2ri8B1 GLY 2071 HA3 -0.20 -0.03 0.27 -0.51 4.01 3.55 2ri8B1 HIS 2072 H -0.58 0.22 0.18 -0.55 8.41 7.69 2ri8B1 HIS 2072 HA -0.03 0.22 1.05 -0.75 4.63 5.11 2ri8B1 HIS 2072 HB2 -0.21 -0.06 0.13 -0.04 3.26 3.08 2ri8B1 HIS 2072 HB3 -0.12 0.14 -0.08 -0.04 3.20 3.10 2ri8B1 HIS 2072 HD2 -0.16 0.23 0.02 -0.04 6.97 7.01 2ri8B1 HIS 2072 HE1 -0.25 -0.03 -0.03 -0.04 7.75 7.40 2ri8B1 ALA 2073 H 0.13 0.58 0.31 -0.55 8.40 8.87 2ri8B1 ALA 2073 HA 0.06 0.21 0.71 -0.75 4.34 4.56 2ri8B1 ALA 2073 HB3 0.02 -0.00 -0.09 -0.04 1.41 1.31 2ri8B1 ASP 2074 H 0.05 0.29 0.02 -0.55 8.40 8.21 2ri8B1 ASP 2074 HA 0.07 -0.06 0.85 -0.75 4.63 4.74 2ri8B1 ASP 2074 HB2 0.04 0.14 0.14 -0.04 2.71 2.99 2ri8B1 ASP 2074 HB3 -0.02 -0.09 0.14 -0.04 2.70 2.69 2ri8B1 SER 2075 H 0.03 0.16 0.02 -0.55 8.46 8.13 2ri8B1 SER 2075 HA 0.00 0.28 0.77 -0.75 4.49 4.79 2ri8B1 SER 2075 HB2 0.02 0.07 0.13 -0.04 3.95 4.13 2ri8B1 SER 2075 HB3 0.01 0.03 0.02 -0.04 3.93 3.95 2ri8B1 ARG 2076 H 0.02 -0.06 -0.17 -0.55 8.46 7.70 2ri8B1 ARG 2076 HA 0.05 0.29 0.87 -0.75 4.34 4.80 2ri8B1 ARG 2076 HB2 0.15 -0.14 0.17 -0.04 1.90 2.05 2ri8B1 ARG 2076 HB3 0.33 0.10 0.17 -0.04 1.80 2.36 2ri8B1 ARG 2076 HG2 0.05 -0.03 -0.45 -0.04 1.67 1.20 2ri8B1 ARG 2076 HG3 0.04 -0.03 -0.04 -0.04 1.67 1.60 2ri8B1 ARG 2076 HD2 0.06 -0.02 -0.04 -0.04 3.22 3.18 2ri8B1 ARG 2076 HD3 0.09 0.03 -0.03 -0.04 3.22 3.27 2ri8B1 ASN 2077 H -0.15 0.26 -0.21 -0.55 8.53 7.89 2ri8B1 ASN 2077 HA -0.38 0.06 0.30 -0.75 4.76 3.99 2ri8B1 ASN 2077 HB2 -1.57 0.10 -0.12 -0.04 2.88 1.25 2ri8B1 ASN 2077 HB3 -1.61 0.11 0.17 -0.04 2.79 1.41 2ri8B1 ASN 2077 HD21 -0.03 -0.00 0.05 -0.04 7.03 7.01 2ri8B1 ASN 2077 HD22 -0.10 -0.13 -0.32 -0.04 7.74 7.15 2ri8B1 GLY 2078 H -0.18 -0.15 -0.43 -0.55 8.43 7.12 2ri8B1 GLY 2078 HA2 -0.10 -0.11 0.38 -0.51 4.01 3.67 2ri8B1 GLY 2078 HA3 -0.25 0.23 0.52 -0.51 4.01 4.00 2ri8B1 TRP 2079 H -0.29 0.19 -0.24 -0.55 7.97 7.08 2ri8B1 TRP 2079 HA -0.12 0.24 0.52 -0.75 4.62 4.50 2ri8B1 TRP 2079 HB2 -0.41 -0.07 0.01 -0.04 3.23 2.71 2ri8B1 TRP 2079 HB3 -0.44 0.03 0.09 -0.04 3.23 2.87 2ri8B1 TRP 2079 HD1 -0.32 0.02 -0.12 -0.04 7.22 6.76 2ri8B1 TRP 2079 HE1 -0.15 0.39 -0.01 -0.04 10.20 10.40 2ri8B1 TRP 2079 HE3 -1.13 -0.07 -0.01 -0.04 7.59 6.33 2ri8B1 TRP 2079 HZ2 0.02 0.12 -0.22 -0.04 7.44 7.32 2ri8B1 TRP 2079 HZ3 -0.04 -0.10 -0.03 -0.04 7.13 6.93 2ri8B1 TRP 2079 HH2 0.06 -0.01 -0.05 -0.04 7.19 7.14 2ri8B1 GLY 2080 H 0.21 -0.20 -0.47 -0.55 8.43 7.43 2ri8B1 GLY 2080 HA2 0.18 0.14 -0.06 -0.51 4.01 3.75 2ri8B1 GLY 2080 HA3 0.22 0.27 0.60 -0.51 4.01 4.59 2ri8B1 ALA 2081 H 0.22 -0.07 0.13 -0.55 8.40 8.14 2ri8B1 ALA 2081 HA -0.08 0.11 0.29 -0.75 4.34 3.90 2ri8B1 ALA 2081 HB3 0.02 0.00 0.12 -0.04 1.41 1.51 2ri8B1 SER 2082 H -0.00 0.62 0.10 -0.55 8.46 8.63 2ri8B1 SER 2082 HA -0.04 -0.05 0.49 -0.75 4.49 4.14 2ri8B1 SER 2082 HB2 -0.81 0.10 0.04 -0.04 3.95 3.24 2ri8B1 SER 2082 HB3 -0.68 0.02 0.03 -0.04 3.93 3.25 2ri8B1 ALA 2083 H 0.04 0.19 -0.33 -0.55 8.40 7.76 2ri8B1 ALA 2083 HA 0.31 0.09 0.46 -0.75 4.34 4.45 2ri8B1 ALA 2083 HB3 0.21 0.06 0.05 -0.04 1.41 1.69 2ri8B1 VAL 2084 H 0.12 0.40 -0.08 -0.55 8.24 8.13 2ri8B1 VAL 2084 HA 0.10 0.12 0.45 -0.75 4.13 4.05 2ri8B1 VAL 2084 HB 0.05 -0.05 0.01 -0.04 2.12 2.08 2ri8B1 VAL 2084 HG13 0.10 0.00 -0.10 -0.04 0.97 0.93 2ri8B1 VAL 2084 HG23 0.38 0.06 -0.02 -0.04 0.95 1.33 2ri8B1 ASP 2085 H 0.02 0.55 -0.06 -0.55 8.40 8.36 2ri8B1 ASP 2085 HA 0.19 0.09 0.41 -0.75 4.63 4.56 2ri8B1 ASP 2085 HB2 0.04 0.25 0.15 -0.04 2.71 3.10 2ri8B1 ASP 2085 HB3 0.14 0.01 -0.08 -0.04 2.70 2.73 2ri8B1 ALA 2086 H 0.02 0.28 -0.61 -0.55 8.40 7.54 2ri8B1 ALA 2086 HA 0.18 0.07 0.41 -0.75 4.34 4.25 2ri8B1 ALA 2086 HB3 -0.21 0.03 0.08 -0.04 1.41 1.27 2ri8B1 LEU 2087 H -0.00 0.38 -0.34 -0.55 8.37 7.86 2ri8B1 LEU 2087 HA -0.11 0.01 0.33 -0.75 4.35 3.83 2ri8B1 LEU 2087 HB2 -0.02 0.17 0.20 -0.04 1.64 1.95 2ri8B1 LEU 2087 HB3 -0.05 0.02 0.13 -0.04 1.64 1.69 2ri8B1 LEU 2087 HG -0.01 0.00 0.00 -0.04 1.64 1.59 2ri8B1 LEU 2087 HD13 -0.02 -0.01 0.02 -0.04 0.93 0.88 2ri8B1 LEU 2087 HD23 -0.08 -0.02 -0.01 -0.04 0.89 0.74 2ri8B1 SER 2088 H -0.01 0.25 -0.07 -0.55 8.46 8.09 2ri8B1 SER 2088 HA -0.10 0.04 0.31 -0.75 4.49 3.98 2ri8B1 SER 2088 HB2 -0.03 0.04 0.06 -0.04 3.95 3.99 2ri8B1 SER 2088 HB3 0.02 0.01 0.04 -0.04 3.93 3.95 2ri8B1 THR 2089 H -0.03 0.22 -0.57 -0.55 8.28 7.35 2ri8B1 THR 2089 HA -0.21 0.13 0.64 -0.75 4.39 4.19 2ri8B1 THR 2089 HB 0.11 0.06 0.06 -0.04 4.32 4.50 2ri8B1 THR 2089 HG23 -0.23 -0.03 -0.12 -0.04 1.22 0.80 2ri8B1 ALA 2090 H -0.19 0.53 0.02 -0.55 8.40 8.21 2ri8B1 ALA 2090 HA -0.57 0.01 0.42 -0.75 4.34 3.45 2ri8B1 ALA 2090 HB3 -0.26 0.03 0.07 -0.04 1.41 1.21 2ri8B1 VAL 2091 H -0.22 0.56 -0.07 -0.55 8.24 7.96 2ri8B1 VAL 2091 HA -0.18 -0.03 0.32 -0.75 4.13 3.49 2ri8B1 VAL 2091 HB -0.22 0.07 0.04 -0.04 2.12 1.97 2ri8B1 VAL 2091 HG13 -0.14 0.00 -0.20 -0.04 0.97 0.59 2ri8B1 VAL 2091 HG23 -0.11 0.04 -0.00 -0.04 0.95 0.83 2ri8B1 ILE 2092 H -0.42 0.31 -0.36 -0.55 8.25 7.24 2ri8B1 ILE 2092 HA -1.08 0.05 0.32 -0.75 4.18 2.72 2ri8B1 ILE 2092 HB -0.48 0.09 0.12 -0.04 1.89 1.59 2ri8B1 ILE 2092 HG12 -2.00 -0.07 -0.02 -0.04 1.49 -0.63 2ri8B1 ILE 2092 HG13 -0.68 0.05 0.06 -0.04 1.21 0.59 2ri8B1 ILE 2092 HG23 -0.52 -0.02 -0.12 -0.04 0.93 0.24 2ri8B1 ILE 2092 HD13 -0.54 -0.01 -0.01 -0.04 0.88 0.28 2ri8B1 MET 2093 H -0.41 0.30 -0.42 -0.55 8.47 7.40 2ri8B1 MET 2093 HA -0.40 0.10 0.64 -0.75 4.52 4.10 2ri8B1 MET 2093 HB2 -0.56 0.02 0.11 -0.04 2.15 1.67 2ri8B1 MET 2093 HB3 -0.50 -0.08 0.02 -0.04 2.03 1.42 2ri8B1 MET 2093 HG2 -1.36 -0.03 -0.02 -0.04 2.63 1.18 2ri8B1 MET 2093 HG3 -0.69 0.11 -0.03 -0.04 2.56 1.91 2ri8B1 MET 2093 HE3 -0.35 0.02 -0.15 -0.04 2.10 1.57 2ri8B1 GLY 2094 H -0.23 0.36 -0.22 -0.55 8.43 7.80 2ri8B1 GLY 2094 HA2 -0.09 0.05 0.28 -0.51 4.01 3.74 2ri8B1 GLY 2094 HA3 -0.06 0.11 0.59 -0.51 4.01 4.14 2ri8B1 LYS 2095 H -0.20 0.44 -0.01 -0.55 8.42 8.10 2ri8B1 LYS 2095 HA -0.09 0.17 0.84 -0.75 4.32 4.48 2ri8B1 LYS 2095 HB2 -0.24 -0.02 0.17 -0.04 1.87 1.74 2ri8B1 LYS 2095 HB3 -0.14 -0.13 0.06 -0.04 1.79 1.54 2ri8B1 LYS 2095 HG2 -0.12 0.07 -0.14 -0.04 1.46 1.23 2ri8B1 LYS 2095 HG3 -0.26 0.07 -0.32 -0.04 1.46 0.91 2ri8B1 LYS 2095 HD2 -0.49 0.01 -0.03 -0.04 1.69 1.13 2ri8B1 LYS 2095 HD3 -0.08 -0.08 -0.03 -0.04 1.68 1.45 2ri8B1 LYS 2095 HE2 -0.24 0.06 -0.05 -0.04 2.99 2.72 2ri8B1 LYS 2095 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 2ri8B1 ALA 2096 H -0.06 0.33 0.00 -0.55 8.40 8.13 2ri8B1 ALA 2096 HA -0.06 0.10 0.30 -0.75 4.34 3.93 2ri8B1 ALA 2096 HB3 -0.03 0.04 0.11 -0.04 1.41 1.49 2ri8B1 ASP 2097 H -0.03 0.17 -0.02 -0.55 8.40 7.97 2ri8B1 ASP 2097 HA -0.01 0.05 0.41 -0.75 4.63 4.32 2ri8B1 ASP 2097 HB2 0.03 0.07 -0.07 -0.04 2.71 2.69 2ri8B1 ASP 2097 HB3 0.01 0.05 0.09 -0.04 2.70 2.81 2ri8B1 VAL 2098 H -0.11 0.11 -0.29 -0.55 8.24 7.40 2ri8B1 VAL 2098 HA -0.18 0.06 0.35 -0.75 4.13 3.60 2ri8B1 VAL 2098 HB -0.34 0.13 0.05 -0.04 2.12 1.91 2ri8B1 VAL 2098 HG13 -1.38 0.01 -0.05 -0.04 0.97 -0.49 2ri8B1 VAL 2098 HG23 -0.21 -0.01 -0.00 -0.04 0.95 0.68 2ri8B1 VAL 2099 H -0.15 0.48 -0.21 -0.55 8.24 7.81 2ri8B1 VAL 2099 HA -0.14 0.02 0.37 -0.75 4.13 3.62 2ri8B1 VAL 2099 HB -0.08 0.16 0.16 -0.04 2.12 2.31 2ri8B1 VAL 2099 HG13 -0.07 -0.02 -0.14 -0.04 0.97 0.71 2ri8B1 VAL 2099 HG23 -0.15 0.08 -0.12 -0.04 0.95 0.72 2ri8B1 ASN 2100 H -0.04 0.65 0.03 -0.55 8.53 8.62 2ri8B1 ASN 2100 HA -0.01 0.01 0.49 -0.75 4.76 4.50 2ri8B1 ASN 2100 HB2 -0.00 0.05 0.14 -0.04 2.88 3.03 2ri8B1 ASN 2100 HB3 0.01 -0.03 -0.01 -0.04 2.79 2.72 2ri8B1 ASN 2100 HD21 -0.01 -0.08 0.02 -0.04 7.03 6.92 2ri8B1 ASN 2100 HD22 -0.01 -0.00 -0.11 -0.04 7.74 7.57 2ri8B1 ALA 2101 H 0.01 0.82 -0.03 -0.55 8.40 8.65 2ri8B1 ALA 2101 HA 0.06 -0.02 0.40 -0.75 4.34 4.03 2ri8B1 ALA 2101 HB3 0.07 0.03 0.10 -0.04 1.41 1.57 2ri8B1 ILE 2102 H 0.02 0.44 -0.41 -0.55 8.25 7.74 2ri8B1 ILE 2102 HA 0.19 -0.00 0.46 -0.75 4.18 4.07 2ri8B1 ILE 2102 HB -0.02 0.17 0.16 -0.04 1.89 2.15 2ri8B1 ILE 2102 HG12 0.18 -0.10 0.01 -0.04 1.49 1.53 2ri8B1 ILE 2102 HG13 -0.04 0.11 0.05 -0.04 1.21 1.29 2ri8B1 ILE 2102 HG23 0.08 -0.05 -0.12 -0.04 0.93 0.80 2ri8B1 ILE 2102 HD13 -0.36 -0.02 -0.11 -0.04 0.88 0.35 2ri8B1 LEU 2103 H 0.04 0.44 -0.02 -0.55 8.37 8.28 2ri8B1 LEU 2103 HA 0.05 0.01 0.38 -0.75 4.35 4.04 2ri8B1 LEU 2103 HB2 0.02 0.05 0.18 -0.04 1.64 1.85 2ri8B1 LEU 2103 HB3 0.01 -0.11 -0.02 -0.04 1.64 1.48 2ri8B1 LEU 2103 HG -0.01 0.35 0.04 -0.04 1.64 1.98 2ri8B1 LEU 2103 HD13 -0.02 -0.05 -0.08 -0.04 0.93 0.74 2ri8B1 LEU 2103 HD23 -0.01 -0.01 -0.12 -0.04 0.89 0.70 2ri8B1 GLU 2104 H 0.08 0.65 -0.14 -0.55 8.60 8.64 2ri8B1 GLU 2104 HA 0.05 -0.01 0.37 -0.75 4.29 3.95 2ri8B1 GLU 2104 HB2 0.14 0.10 0.11 -0.04 2.09 2.39 2ri8B1 GLU 2104 HB3 0.08 -0.04 0.03 -0.04 1.99 2.02 2ri8B1 GLU 2104 HG2 0.06 0.47 0.09 -0.04 2.34 2.92 2ri8B1 GLU 2104 HG3 0.06 -0.05 -0.01 -0.04 2.34 2.31 2ri8B1 HIS 2105 H 0.26 0.42 -0.16 -0.55 8.41 8.39 2ri8B1 HIS 2105 HA 0.12 0.00 0.34 -0.75 4.63 4.33 2ri8B1 HIS 2105 HB2 0.43 0.03 0.13 -0.04 3.26 3.80 2ri8B1 HIS 2105 HB3 0.24 0.11 0.16 -0.04 3.20 3.67 2ri8B1 HIS 2105 HD2 0.20 -0.01 -0.20 -0.04 6.97 6.92 2ri8B1 HIS 2105 HE1 -0.04 0.05 -0.05 -0.04 7.75 7.66 2ri8B1 VAL 2106 H 0.18 0.53 -0.15 -0.55 8.24 8.25 2ri8B1 VAL 2106 HA 0.02 -0.00 0.45 -0.75 4.13 3.85 2ri8B1 VAL 2106 HB 0.17 -0.03 0.08 -0.04 2.12 2.30 2ri8B1 VAL 2106 HG13 0.07 0.04 0.06 -0.04 0.97 1.10 2ri8B1 VAL 2106 HG23 0.12 -0.02 -0.09 -0.04 0.95 0.91 2ri8B1 ALA 2107 H 0.03 0.41 -0.32 -0.55 8.40 7.96 2ri8B1 ALA 2107 HA -0.00 -0.04 0.39 -0.75 4.34 3.93 2ri8B1 ALA 2107 HB3 0.01 0.06 0.16 -0.04 1.41 1.60 2ri8B1 ASP 2108 H -0.08 0.30 -0.23 -0.55 8.40 7.84 2ri8B1 ASP 2108 HA -0.07 0.09 0.62 -0.75 4.63 4.51 2ri8B1 ASP 2108 HB2 -0.12 0.05 0.08 -0.04 2.71 2.68 2ri8B1 ASP 2108 HB3 -0.09 -0.07 0.09 -0.04 2.70 2.59 2ri8B1 ILE 2109 H -0.20 0.30 -0.31 -0.55 8.25 7.49 2ri8B1 ILE 2109 HA -0.25 0.02 0.41 -0.75 4.18 3.60 2ri8B1 ILE 2109 HB -0.26 0.13 0.11 -0.04 1.89 1.83 2ri8B1 ILE 2109 HG12 -0.42 -0.01 0.06 -0.04 1.49 1.09 2ri8B1 ILE 2109 HG13 -0.42 0.36 0.21 -0.04 1.21 1.31 2ri8B1 ILE 2109 HG23 -1.07 -0.06 0.02 -0.04 0.93 -0.22 2ri8B1 ILE 2109 HD13 0.09 -0.05 0.04 -0.04 0.88 0.92 2ri8B1 ASP 2110 H -0.37 0.13 0.04 -0.55 8.40 7.65 2ri8B1 ASP 2110 HA -0.14 0.13 0.62 -0.75 4.63 4.49 2ri8B1 ASP 2110 HB2 -0.07 0.22 -0.01 -0.04 2.71 2.81 2ri8B1 ASP 2110 HB3 -0.05 0.01 0.16 -0.04 2.70 2.78 2ri8B1 PHE 2111 H -0.22 0.22 0.04 -0.55 8.34 7.82 2ri8B1 PHE 2111 HA -1.22 0.10 0.32 -0.75 4.62 3.07 2ri8B1 PHE 2111 HB2 -0.44 0.02 0.00 -0.04 3.15 2.68 2ri8B1 PHE 2111 HB3 -0.86 0.01 0.13 -0.04 3.06 2.29 2ri8B1 PHE 2111 HD2 -1.38 0.01 0.02 -0.04 7.28 5.89 2ri8B1 PHE 2111 HE2 -0.55 0.00 -0.02 -0.04 7.38 6.78 2ri8B1 PHE 2111 HZ -0.07 0.03 -0.03 -0.04 7.32 7.20 2ri8B1 SER 2112 H -0.01 0.01 -0.86 -0.55 8.46 7.05 2ri8B1 SER 2112 HA 0.09 0.12 0.53 -0.75 4.49 4.48 2ri8B1 SER 2112 HB2 0.06 0.03 0.03 -0.04 3.95 4.03 2ri8B1 SER 2112 HB3 0.04 -0.04 0.02 -0.04 3.93 3.91 2ri8B1 LYS 2113 H 0.14 0.27 0.07 -0.55 8.42 8.34 2ri8B1 LYS 2113 HA 0.13 0.21 1.04 -0.75 4.32 4.96 2ri8B1 LYS 2113 HB2 0.06 -0.01 -0.03 -0.04 1.87 1.85 2ri8B1 LYS 2113 HB3 0.08 0.02 0.09 -0.04 1.79 1.94 2ri8B1 LYS 2113 HG2 0.04 -0.01 -0.25 -0.04 1.46 1.20 2ri8B1 LYS 2113 HG3 0.04 0.01 -0.00 -0.04 1.46 1.46 2ri8B1 LYS 2113 HD2 0.01 -0.03 -0.07 -0.04 1.69 1.56 2ri8B1 LYS 2113 HD3 0.02 0.01 -0.03 -0.04 1.68 1.63 2ri8B1 LYS 2113 HE2 -0.00 -0.00 -0.04 -0.04 2.99 2.91 2ri8B1 LYS 2113 HE3 0.02 0.03 -0.02 -0.04 2.99 2.98 2ri8B1 THR 2114 H 0.09 0.35 0.19 -0.55 8.28 8.36 2ri8B1 THR 2114 HA -0.07 0.11 0.54 -0.75 4.39 4.21 2ri8B1 THR 2114 HB -0.06 0.17 -0.12 -0.04 4.32 4.27 2ri8B1 THR 2114 HG23 0.08 0.02 -0.13 -0.04 1.22 1.14 2ri8B1 SER 2115 H -0.09 0.13 0.15 -0.55 8.46 8.10 2ri8B1 SER 2115 HA -0.02 0.18 0.68 -0.75 4.49 4.58 2ri8B1 SER 2115 HB2 -0.05 -0.03 0.04 -0.04 3.95 3.87 2ri8B1 SER 2115 HB3 -0.03 0.02 0.12 -0.04 3.93 4.00 2ri8B1 ASP 2116 H -0.09 0.02 -0.07 -0.55 8.40 7.71 2ri8B1 ASP 2116 HA -0.02 0.23 0.98 -0.75 4.63 5.06 2ri8B1 ASP 2116 HB2 -0.09 -0.02 0.04 -0.04 2.71 2.60 2ri8B1 ASP 2116 HB3 -0.03 -0.02 0.14 -0.04 2.70 2.74 2ri8B1 THR 2117 H 0.00 0.06 0.14 -0.55 8.28 7.93 2ri8B1 THR 2117 HA 0.05 0.11 0.43 -0.75 4.39 4.22 2ri8B1 THR 2117 HB 0.03 -0.08 -0.04 -0.04 4.32 4.18 2ri8B1 THR 2117 HG23 0.05 0.02 -0.12 -0.04 1.22 1.13 2ri8B1 VAL 2118 H 0.09 0.74 0.35 -0.55 8.24 8.87 2ri8B1 VAL 2118 HA 0.07 0.11 1.00 -0.75 4.13 4.56 2ri8B1 VAL 2118 HB 0.23 -0.03 0.02 -0.04 2.12 2.30 2ri8B1 VAL 2118 HG13 0.18 0.04 -0.15 -0.04 0.97 0.99 2ri8B1 VAL 2118 HG23 0.18 0.01 -0.20 -0.04 0.95 0.90 2ri8B1 SER 2119 H 0.12 0.12 0.15 -0.55 8.46 8.30 2ri8B1 SER 2119 HA 0.11 0.31 0.81 -0.75 4.49 4.96 2ri8B1 SER 2119 HB2 0.12 0.10 0.09 -0.04 3.95 4.22 2ri8B1 SER 2119 HB3 0.14 -0.08 0.18 -0.04 3.93 4.12 2ri8B1 LEU 2120 H 0.09 0.63 0.39 -0.55 8.37 8.94 2ri8B1 LEU 2120 HA 0.13 0.11 0.45 -0.75 4.35 4.29 2ri8B1 LEU 2120 HB2 -0.04 0.20 0.18 -0.04 1.64 1.93 2ri8B1 LEU 2120 HB3 0.01 -0.12 0.18 -0.04 1.64 1.67 2ri8B1 LEU 2120 HG 0.07 -0.04 -0.19 -0.04 1.64 1.44 2ri8B1 LEU 2120 HD13 0.24 -0.00 -0.00 -0.04 0.93 1.13 2ri8B1 LEU 2120 HD23 -0.54 0.03 -0.11 -0.04 0.89 0.23 2ri8B1 PHE 2121 H 0.24 0.06 -0.02 -0.55 8.34 8.07 2ri8B1 PHE 2121 HA 0.09 0.21 0.38 -0.75 4.62 4.54 2ri8B1 PHE 2121 HB2 0.01 0.13 0.13 -0.04 3.15 3.38 2ri8B1 PHE 2121 HB3 0.04 -0.12 0.14 -0.04 3.06 3.08 2ri8B1 PHE 2121 HD2 0.03 0.06 -0.03 -0.04 7.28 7.29 2ri8B1 PHE 2121 HE2 -0.02 0.02 -0.08 -0.04 7.38 7.26 2ri8B1 PHE 2121 HZ -0.03 -0.01 -0.09 -0.04 7.32 7.15 2ri8B1 GLU 2122 H 0.12 0.08 -0.08 -0.55 8.60 8.17 2ri8B1 GLU 2122 HA -0.43 0.03 0.31 -0.75 4.29 3.45 2ri8B1 GLU 2122 HB2 0.10 0.01 0.11 -0.04 2.09 2.27 2ri8B1 GLU 2122 HB3 0.05 0.02 -0.01 -0.04 1.99 2.01 2ri8B1 GLU 2122 HG2 0.20 -0.06 0.06 -0.04 2.34 2.50 2ri8B1 GLU 2122 HG3 0.12 0.06 0.04 -0.04 2.34 2.52 2ri8B1 THR 2123 H 0.15 0.47 -0.32 -0.55 8.28 8.03 2ri8B1 THR 2123 HA 0.45 -0.06 0.40 -0.75 4.39 4.43 2ri8B1 THR 2123 HB 0.21 0.15 0.10 -0.04 4.32 4.74 2ri8B1 THR 2123 HG23 0.31 -0.01 -0.00 -0.04 1.22 1.48 2ri8B1 THR 2124 H 0.13 0.49 -0.25 -0.55 8.28 8.09 2ri8B1 THR 2124 HA 0.06 -0.00 0.59 -0.75 4.39 4.28 2ri8B1 THR 2124 HB 0.22 0.17 0.28 -0.04 4.32 4.95 2ri8B1 THR 2124 HG23 0.31 -0.03 -0.06 -0.04 1.22 1.41 2ri8B1 ILE 2125 H -0.07 0.52 0.03 -0.55 8.25 8.19 2ri8B1 ILE 2125 HA 0.09 0.07 0.45 -0.75 4.18 4.04 2ri8B1 ILE 2125 HB 0.02 -0.13 0.01 -0.04 1.89 1.75 2ri8B1 ILE 2125 HG12 -0.40 0.08 0.05 -0.04 1.49 1.18 2ri8B1 ILE 2125 HG13 -0.10 0.04 -0.25 -0.04 1.21 0.87 2ri8B1 ILE 2125 HG23 -0.08 0.04 0.02 -0.04 0.93 0.88 2ri8B1 ILE 2125 HD13 -0.38 -0.02 -0.13 -0.04 0.88 0.30 2ri8B1 ARG 2126 H 0.03 0.39 -0.20 -0.55 8.46 8.12 2ri8B1 ARG 2126 HA 0.13 0.21 0.87 -0.75 4.34 4.81 2ri8B1 ARG 2126 HB2 -0.15 -0.01 0.09 -0.04 1.90 1.79 2ri8B1 ARG 2126 HB3 -0.10 -0.01 -0.01 -0.04 1.80 1.64 2ri8B1 ARG 2126 HG2 0.04 -0.00 -0.14 -0.04 1.67 1.52 2ri8B1 ARG 2126 HG3 -0.02 0.18 0.05 -0.04 1.67 1.84 2ri8B1 ARG 2126 HD2 -0.03 -0.02 -0.03 -0.04 3.22 3.11 2ri8B1 ARG 2126 HD3 0.04 -0.04 -0.05 -0.04 3.22 3.13 2ri8B1 TYR 2127 H 0.14 0.21 0.05 -0.55 8.29 8.14 2ri8B1 TYR 2127 HA 0.08 0.10 0.48 -0.75 4.56 4.47 2ri8B1 TYR 2127 HB2 0.07 0.24 0.28 -0.04 3.06 3.61 2ri8B1 TYR 2127 HB3 -0.02 0.05 -0.01 -0.04 2.98 2.96 2ri8B1 TYR 2127 HD2 0.36 0.03 0.02 -0.04 7.15 7.52 2ri8B1 TYR 2127 HE2 0.35 0.05 -0.20 -0.04 6.85 7.01 2ri8B1 LEU 2128 H 0.04 0.44 0.19 -0.55 8.37 8.49 2ri8B1 LEU 2128 HA -0.22 0.06 0.41 -0.75 4.35 3.85 2ri8B1 LEU 2128 HB2 -0.16 0.01 0.24 -0.04 1.64 1.69 2ri8B1 LEU 2128 HB3 -0.15 0.08 0.16 -0.04 1.64 1.69 2ri8B1 LEU 2128 HG -0.49 0.02 0.07 -0.04 1.64 1.19 2ri8B1 LEU 2128 HD13 -0.78 -0.02 -0.07 -0.04 0.93 0.02 2ri8B1 LEU 2128 HD23 -0.35 0.00 -0.00 -0.04 0.89 0.50 2ri8B1 ALA 2129 H -0.01 0.47 -0.19 -0.55 8.40 8.12 2ri8B1 ALA 2129 HA -0.05 0.03 0.34 -0.75 4.34 3.90 2ri8B1 ALA 2129 HB3 0.12 0.04 -0.02 -0.04 1.41 1.51 2ri8B1 GLY 2130 H -0.15 0.29 -0.53 -0.55 8.43 7.49 2ri8B1 GLY 2130 HA2 -1.22 -0.03 0.35 -0.51 4.01 2.60 2ri8B1 GLY 2130 HA3 -0.43 0.18 0.27 -0.51 4.01 3.52 2ri8B1 MET 2131 H -0.10 0.49 -0.27 -0.55 8.47 8.05 2ri8B1 MET 2131 HA -0.02 0.05 0.57 -0.75 4.52 4.36 2ri8B1 MET 2131 HB2 -0.07 0.11 0.15 -0.04 2.15 2.30 2ri8B1 MET 2131 HB3 -0.00 -0.01 0.02 -0.04 2.03 1.99 2ri8B1 MET 2131 HG2 0.07 -0.04 0.01 -0.04 2.63 2.63 2ri8B1 MET 2131 HG3 0.05 0.14 0.05 -0.04 2.56 2.75 2ri8B1 MET 2131 HE3 -0.34 -0.02 -0.19 -0.04 2.10 1.51 2ri8B1 LEU 2132 H -0.08 0.48 0.02 -0.55 8.37 8.24 2ri8B1 LEU 2132 HA -0.01 0.01 0.37 -0.75 4.35 3.97 2ri8B1 LEU 2132 HB2 -0.07 0.06 0.10 -0.04 1.64 1.69 2ri8B1 LEU 2132 HB3 -0.08 -0.01 0.00 -0.04 1.64 1.51 2ri8B1 LEU 2132 HG -0.14 0.23 0.08 -0.04 1.64 1.76 2ri8B1 LEU 2132 HD13 -0.15 -0.02 -0.06 -0.04 0.93 0.66 2ri8B1 LEU 2132 HD23 -0.16 -0.01 -0.03 -0.04 0.89 0.65 2ri8B1 SER 2133 H -0.06 0.53 -0.28 -0.55 8.46 8.10 2ri8B1 SER 2133 HA 0.06 0.14 0.34 -0.75 4.49 4.28 2ri8B1 SER 2133 HB2 0.03 -0.01 -0.11 -0.04 3.95 3.81 2ri8B1 SER 2133 HB3 -0.09 0.04 0.02 -0.04 3.93 3.86 2ri8B1 GLY 2134 H -0.03 0.33 -0.36 -0.55 8.43 7.83 2ri8B1 GLY 2134 HA2 -0.02 -0.02 0.38 -0.51 4.01 3.84 2ri8B1 GLY 2134 HA3 -0.01 0.04 0.30 -0.51 4.01 3.83 2ri8B1 TYR 2135 H 0.15 0.45 -0.23 -0.55 8.29 8.10 2ri8B1 TYR 2135 HA 0.00 0.04 0.45 -0.75 4.56 4.30 2ri8B1 TYR 2135 HB2 -0.02 -0.00 0.13 -0.04 3.06 3.13 2ri8B1 TYR 2135 HB3 -0.00 0.08 0.25 -0.04 2.98 3.27 2ri8B1 TYR 2135 HD2 -0.00 -0.06 -0.27 -0.04 7.15 6.78 2ri8B1 TYR 2135 HE2 -0.00 -0.02 0.02 -0.04 6.85 6.81 2ri8B1 ASP 2136 H 0.21 0.49 0.08 -0.55 8.40 8.63 2ri8B1 ASP 2136 HA 0.23 0.03 0.27 -0.75 4.63 4.40 2ri8B1 ASP 2136 HB2 0.21 0.11 0.09 -0.04 2.71 3.08 2ri8B1 ASP 2136 HB3 0.19 -0.00 -0.02 -0.04 2.70 2.82 2ri8B1 LEU 2137 H 0.15 0.47 -0.47 -0.55 8.37 7.97 2ri8B1 LEU 2137 HA 0.23 -0.00 0.44 -0.75 4.35 4.26 2ri8B1 LEU 2137 HB2 0.03 0.36 0.19 -0.04 1.64 2.17 2ri8B1 LEU 2137 HB3 -0.02 -0.06 -0.06 -0.04 1.64 1.46 2ri8B1 LEU 2137 HG -0.14 -0.07 -0.06 -0.04 1.64 1.33 2ri8B1 LEU 2137 HD13 -0.09 0.01 -0.08 -0.04 0.93 0.72 2ri8B1 LEU 2137 HD23 -0.15 0.01 -0.01 -0.04 0.89 0.70 2ri8B1 LEU 2138 H 0.05 0.70 0.05 -0.55 8.37 8.62 2ri8B1 LEU 2138 HA 0.03 0.07 0.28 -0.75 4.35 3.97 2ri8B1 LEU 2138 HB2 -0.04 0.09 0.21 -0.04 1.64 1.86 2ri8B1 LEU 2138 HB3 -0.04 -0.04 0.01 -0.04 1.64 1.53 2ri8B1 LEU 2138 HG -0.03 0.05 0.12 -0.04 1.64 1.74 2ri8B1 LEU 2138 HD13 -0.05 -0.04 -0.02 -0.04 0.93 0.78 2ri8B1 LEU 2138 HD23 -0.04 -0.03 0.00 -0.04 0.89 0.79 2ri8B1 GLN 2139 H 0.06 0.86 -0.01 -0.55 8.47 8.82 2ri8B1 GLN 2139 HA 0.01 0.00 0.41 -0.75 4.36 4.03 2ri8B1 GLN 2139 HB2 -0.06 -0.04 0.05 -0.04 2.15 2.06 2ri8B1 GLN 2139 HB3 0.22 0.03 -0.11 -0.04 2.02 2.11 2ri8B1 GLN 2139 HG2 0.22 -0.03 -0.03 -0.04 2.40 2.53 2ri8B1 GLN 2139 HG3 0.07 0.01 0.14 -0.04 2.39 2.57 2ri8B1 GLN 2139 HE21 -0.30 -0.08 -0.07 -0.04 6.97 6.48 2ri8B1 GLN 2139 HE22 -0.52 0.02 -0.05 -0.04 7.69 7.10 2ri8B1 GLY 2140 H 0.13 0.19 -0.99 -0.55 8.43 7.22 2ri8B1 GLY 2140 HA2 0.09 0.13 0.92 -0.51 4.01 4.65 2ri8B1 GLY 2140 HA3 0.16 0.11 0.37 -0.51 4.01 4.14 2ri8B1 PRO 2141 HA 0.10 0.04 0.46 -0.51 4.44 4.53 2ri8B1 PRO 2141 HB2 0.18 -0.03 0.07 -0.04 2.28 2.46 2ri8B1 PRO 2141 HB3 0.14 -0.04 0.14 -0.04 2.02 2.22 2ri8B1 PRO 2141 HG2 0.37 0.09 0.04 -0.04 2.03 2.49 2ri8B1 PRO 2141 HG3 0.39 -0.03 0.02 -0.04 2.03 2.36 2ri8B1 PRO 2141 HD2 0.31 0.39 0.34 -0.04 3.68 4.68 2ri8B1 PRO 2141 HD3 0.33 0.07 0.17 -0.04 3.65 4.19 2ri8B1 ALA 2142 H 0.16 0.57 -0.46 -0.55 8.40 8.13 2ri8B1 ALA 2142 HA 0.15 0.13 0.73 -0.75 4.34 4.60 2ri8B1 ALA 2142 HB3 0.08 -0.02 -0.16 -0.04 1.41 1.27 2ri8B1 LYS 2143 H 0.08 0.30 -0.29 -0.55 8.42 7.96 2ri8B1 LYS 2143 HA 0.03 0.41 0.44 -0.75 4.32 4.46 2ri8B1 LYS 2143 HB2 0.05 0.29 0.10 -0.04 1.87 2.27 2ri8B1 LYS 2143 HB3 0.04 -0.15 0.08 -0.04 1.79 1.72 2ri8B1 LYS 2143 HG2 0.02 -0.08 -0.24 -0.04 1.46 1.12 2ri8B1 LYS 2143 HG3 0.02 0.03 0.03 -0.04 1.46 1.50 2ri8B1 LYS 2143 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 2ri8B1 LYS 2143 HD3 0.02 -0.08 -0.02 -0.04 1.68 1.55 2ri8B1 LYS 2143 HE2 0.02 -0.09 0.01 -0.04 2.99 2.90 2ri8B1 LYS 2143 HE3 0.02 0.02 0.03 -0.04 2.99 3.03 2ri8B1 ASN 2144 H 0.04 0.12 -0.24 -0.55 8.53 7.90 2ri8B1 ASN 2144 HA 0.01 0.22 0.89 -0.75 4.76 5.13 2ri8B1 ASN 2144 HB2 0.02 0.00 0.11 -0.04 2.88 2.98 2ri8B1 ASN 2144 HB3 0.02 -0.03 0.06 -0.04 2.79 2.79 2ri8B1 ASN 2144 HD21 0.01 0.00 -0.06 -0.04 7.03 6.94 2ri8B1 ASN 2144 HD22 0.02 0.01 -0.03 -0.04 7.74 7.70 2ri8B1 LEU 2145 H 0.01 0.16 -0.08 -0.55 8.37 7.91 2ri8B1 LEU 2145 HA 0.01 0.14 0.74 -0.75 4.35 4.48 2ri8B1 LEU 2145 HB2 0.01 0.06 -0.09 -0.04 1.64 1.58 2ri8B1 LEU 2145 HB3 -0.01 0.12 0.03 -0.04 1.64 1.75 2ri8B1 LEU 2145 HG -0.04 -0.11 -0.25 -0.04 1.64 1.20 2ri8B1 LEU 2145 HD13 -0.02 -0.02 -0.03 -0.04 0.93 0.82 2ri8B1 LEU 2145 HD23 -0.07 0.02 -0.07 -0.04 0.89 0.73 2ri8B1 VAL 2146 H -0.01 0.25 0.15 -0.55 8.24 8.08 2ri8B1 VAL 2146 HA -0.01 0.09 0.84 -0.75 4.13 4.29 2ri8B1 VAL 2146 HB -0.03 0.12 0.06 -0.04 2.12 2.24 2ri8B1 VAL 2146 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.79 2ri8B1 VAL 2146 HG23 -0.03 -0.01 -0.15 -0.04 0.95 0.71 2ri8B1 ASP 2147 H -0.01 0.10 0.11 -0.55 8.40 8.06 2ri8B1 ASP 2147 HA -0.01 0.21 0.54 -0.75 4.63 4.62 2ri8B1 ASP 2147 HB2 -0.00 0.03 0.07 -0.04 2.71 2.77 2ri8B1 ASP 2147 HB3 -0.00 -0.05 0.07 -0.04 2.70 2.67 2ri8B1 ASN 2148 H -0.01 0.01 -0.03 -0.55 8.53 7.95 2ri8B1 ASN 2148 HA -0.01 0.01 0.40 -0.75 4.76 4.40 2ri8B1 ASN 2148 HB2 -0.01 0.03 0.12 -0.04 2.88 2.98 2ri8B1 ASN 2148 HB3 -0.01 0.03 0.13 -0.04 2.79 2.90 2ri8B1 ASN 2148 HD21 -0.00 0.04 -0.03 -0.04 7.03 7.00 2ri8B1 ASN 2148 HD22 -0.00 0.05 0.01 -0.04 7.74 7.75 2ri8B1 GLN 2149 H -0.02 0.16 0.35 -0.55 8.47 8.41 2ri8B1 GLN 2149 HA -0.05 0.21 0.60 -0.75 4.36 4.37 2ri8B1 GLN 2149 HB2 -0.02 0.18 0.15 -0.04 2.15 2.42 2ri8B1 GLN 2149 HB3 -0.02 -0.09 0.20 -0.04 2.02 2.06 2ri8B1 GLN 2149 HG2 -0.02 0.02 0.00 -0.04 2.40 2.36 2ri8B1 GLN 2149 HG3 -0.04 -0.08 -0.21 -0.04 2.39 2.02 2ri8B1 GLN 2149 HE21 -0.02 0.10 0.02 -0.04 6.97 7.02 2ri8B1 GLN 2149 HE22 -0.02 -0.02 0.03 -0.04 7.69 7.64 2ri8B1 ASP 2150 H -0.02 0.10 0.09 -0.55 8.40 8.02 2ri8B1 ASP 2150 HA -0.03 0.10 0.33 -0.75 4.63 4.27 2ri8B1 ASP 2150 HB2 -0.01 -0.04 0.04 -0.04 2.71 2.66 2ri8B1 ASP 2150 HB3 -0.01 0.07 0.02 -0.04 2.70 2.74 2ri8B1 LEU 2151 H -0.03 0.05 -0.56 -0.55 8.37 7.29 2ri8B1 LEU 2151 HA -0.02 0.12 0.49 -0.75 4.35 4.19 2ri8B1 LEU 2151 HB2 -0.02 0.07 -0.00 -0.04 1.64 1.64 2ri8B1 LEU 2151 HB3 -0.01 0.04 -0.06 -0.04 1.64 1.57 2ri8B1 LEU 2151 HG -0.01 -0.10 -0.07 -0.04 1.64 1.42 2ri8B1 LEU 2151 HD13 0.01 -0.00 -0.06 -0.04 0.93 0.83 2ri8B1 LEU 2151 HD23 0.01 0.04 -0.11 -0.04 0.89 0.79 2ri8B1 ILE 2152 H -0.07 0.22 -0.13 -0.55 8.25 7.72 2ri8B1 ILE 2152 HA -0.12 0.00 0.32 -0.75 4.18 3.63 2ri8B1 ILE 2152 HB -0.13 0.14 0.18 -0.04 1.89 2.04 2ri8B1 ILE 2152 HG12 -0.08 -0.08 0.04 -0.04 1.49 1.34 2ri8B1 ILE 2152 HG13 -0.06 0.16 0.18 -0.04 1.21 1.45 2ri8B1 ILE 2152 HG23 -0.28 0.00 -0.08 -0.04 0.93 0.54 2ri8B1 ILE 2152 HD13 -0.05 -0.01 -0.05 -0.04 0.88 0.72 2ri8B1 ASP 2153 H -0.11 0.34 -0.50 -0.55 8.40 7.58 2ri8B1 ASP 2153 HA -0.27 0.09 0.55 -0.75 4.63 4.23 2ri8B1 ASP 2153 HB2 -0.04 0.09 0.02 -0.04 2.71 2.74 2ri8B1 ASP 2153 HB3 -0.02 -0.04 0.06 -0.04 2.70 2.66 2ri8B1 GLY 2154 H -0.05 0.39 -0.16 -0.55 8.43 8.07 2ri8B1 GLY 2154 HA2 0.01 -0.03 0.41 -0.51 4.01 3.88 2ri8B1 GLY 2154 HA3 -0.00 0.09 0.37 -0.51 4.01 3.95 2ri8B1 LEU 2155 H -0.03 0.35 -0.50 -0.55 8.37 7.65 2ri8B1 LEU 2155 HA 0.04 0.02 0.36 -0.75 4.35 4.01 2ri8B1 LEU 2155 HB2 0.11 0.10 0.06 -0.04 1.64 1.87 2ri8B1 LEU 2155 HB3 0.08 -0.03 -0.03 -0.04 1.64 1.62 2ri8B1 LEU 2155 HG -0.04 0.12 0.01 -0.04 1.64 1.68 2ri8B1 LEU 2155 HD13 -0.01 0.03 -0.06 -0.04 0.93 0.85 2ri8B1 LEU 2155 HD23 0.03 -0.03 -0.02 -0.04 0.89 0.82 2ri8B1 LEU 2156 H 0.21 0.38 -0.16 -0.55 8.37 8.26 2ri8B1 LEU 2156 HA 0.03 0.02 0.42 -0.75 4.35 4.06 2ri8B1 LEU 2156 HB2 0.42 0.04 0.11 -0.04 1.64 2.16 2ri8B1 LEU 2156 HB3 0.21 0.11 0.11 -0.04 1.64 2.03 2ri8B1 LEU 2156 HG 0.00 -0.06 -0.17 -0.04 1.64 1.37 2ri8B1 LEU 2156 HD13 -0.16 -0.02 0.01 -0.04 0.93 0.72 2ri8B1 LEU 2156 HD23 -0.06 0.04 -0.06 -0.04 0.89 0.77 2ri8B1 ASP 2157 H 0.05 0.31 -0.14 -0.55 8.40 8.06 2ri8B1 ASP 2157 HA -0.00 0.02 0.41 -0.75 4.63 4.30 2ri8B1 ASP 2157 HB2 0.01 0.18 0.17 -0.04 2.71 3.02 2ri8B1 ASP 2157 HB3 0.00 -0.02 0.03 -0.04 2.70 2.67 2ri8B1 GLN 2158 H -0.01 0.54 -0.19 -0.55 8.47 8.26 2ri8B1 GLN 2158 HA -0.05 -0.01 0.46 -0.75 4.36 4.01 2ri8B1 GLN 2158 HB2 0.00 0.14 0.11 -0.04 2.15 2.37 2ri8B1 GLN 2158 HB3 0.05 -0.10 0.01 -0.04 2.02 1.94 2ri8B1 GLN 2158 HG2 0.02 0.00 0.04 -0.04 2.40 2.43 2ri8B1 GLN 2158 HG3 0.07 0.05 -0.07 -0.04 2.39 2.40 2ri8B1 GLN 2158 HE21 -0.02 0.03 -0.07 -0.04 6.97 6.87 2ri8B1 GLN 2158 HE22 0.02 0.55 0.11 -0.04 7.69 8.33 2ri8B1 SER 2159 H -0.10 0.47 -0.22 -0.55 8.46 8.06 2ri8B1 SER 2159 HA -0.33 -0.04 0.44 -0.75 4.49 3.81 2ri8B1 SER 2159 HB2 -0.15 0.18 0.19 -0.04 3.95 4.13 2ri8B1 SER 2159 HB3 -0.25 -0.09 0.07 -0.04 3.93 3.61 2ri8B1 ARG 2160 H -0.15 0.51 -0.28 -0.55 8.46 7.99 2ri8B1 ARG 2160 HA -0.33 -0.00 0.53 -0.75 4.34 3.78 2ri8B1 ARG 2160 HB2 -0.06 0.05 0.10 -0.04 1.90 1.95 2ri8B1 ARG 2160 HB3 -0.05 0.16 0.17 -0.04 1.80 2.04 2ri8B1 ARG 2160 HG2 0.05 -0.00 -0.15 -0.04 1.67 1.52 2ri8B1 ARG 2160 HG3 0.12 -0.09 0.04 -0.04 1.67 1.71 2ri8B1 ARG 2160 HD2 0.06 0.04 0.01 -0.04 3.22 3.30 2ri8B1 ARG 2160 HD3 0.05 0.03 -0.00 -0.04 3.22 3.26 2ri8B1 ASN 2161 H -0.12 0.52 0.02 -0.55 8.53 8.40 2ri8B1 ASN 2161 HA -0.05 0.02 0.35 -0.75 4.76 4.33 2ri8B1 ASN 2161 HB2 -0.11 0.04 0.15 -0.04 2.88 2.93 2ri8B1 ASN 2161 HB3 -0.04 -0.04 0.03 -0.04 2.79 2.70 2ri8B1 ASN 2161 HD21 -0.01 0.00 0.02 -0.04 7.03 7.00 2ri8B1 ASN 2161 HD22 -0.01 -0.06 0.04 -0.04 7.74 7.66 2ri8B1 LEU 2162 H -0.38 0.60 -0.19 -0.55 8.37 7.86 2ri8B1 LEU 2162 HA -0.37 0.02 0.36 -0.75 4.35 3.61 2ri8B1 LEU 2162 HB2 -1.16 0.07 0.11 -0.04 1.64 0.62 2ri8B1 LEU 2162 HB3 -0.59 0.12 0.11 -0.04 1.64 1.25 2ri8B1 LEU 2162 HG -0.42 -0.03 -0.16 -0.04 1.64 0.99 2ri8B1 LEU 2162 HD13 -0.68 -0.02 0.03 -0.04 0.93 0.22 2ri8B1 LEU 2162 HD23 -0.73 -0.01 -0.05 -0.04 0.89 0.06 2ri8B1 ALA 2163 H -0.44 0.47 -0.14 -0.55 8.40 7.74 2ri8B1 ALA 2163 HA -0.46 -0.04 0.43 -0.75 4.34 3.51 2ri8B1 ALA 2163 HB3 -0.94 0.02 0.14 -0.04 1.41 0.59 2ri8B1 ASP 2164 H -0.10 0.66 -0.20 -0.55 8.40 8.22 2ri8B1 ASP 2164 HA 0.20 -0.04 0.45 -0.75 4.63 4.48 2ri8B1 ASP 2164 HB2 0.03 0.19 0.16 -0.04 2.71 3.05 2ri8B1 ASP 2164 HB3 0.09 -0.04 0.03 -0.04 2.70 2.74 2ri8B1 VAL 2165 H 0.01 0.43 -0.19 -0.55 8.24 7.93 2ri8B1 VAL 2165 HA 0.18 0.08 0.56 -0.75 4.13 4.20 2ri8B1 VAL 2165 HB 0.15 0.01 0.11 -0.04 2.12 2.36 2ri8B1 VAL 2165 HG13 0.02 0.12 -0.05 -0.04 0.97 1.02 2ri8B1 VAL 2165 HG23 0.01 0.14 0.02 -0.04 0.95 1.08 2ri8B1 LEU 2166 H 0.07 0.40 -0.10 -0.55 8.37 8.19 2ri8B1 LEU 2166 HA -0.07 0.09 0.53 -0.75 4.35 4.14 2ri8B1 LEU 2166 HB2 0.24 0.08 0.12 -0.04 1.64 2.03 2ri8B1 LEU 2166 HB3 0.16 -0.09 0.01 -0.04 1.64 1.68 2ri8B1 LEU 2166 HG 0.01 0.15 0.02 -0.04 1.64 1.78 2ri8B1 LEU 2166 HD13 0.07 -0.03 -0.09 -0.04 0.93 0.83 2ri8B1 LEU 2166 HD23 0.12 -0.03 -0.08 -0.04 0.89 0.86 2ri8B1 LYS 2167 H 0.27 0.53 -0.09 -0.55 8.42 8.59 2ri8B1 LYS 2167 HA 0.39 -0.02 0.32 -0.75 4.32 4.26 2ri8B1 LYS 2167 HB2 0.37 -0.07 0.04 -0.04 1.87 2.17 2ri8B1 LYS 2167 HB3 0.56 0.10 0.12 -0.04 1.79 2.53 2ri8B1 LYS 2167 HG2 0.24 0.24 0.04 -0.04 1.46 1.94 2ri8B1 LYS 2167 HG3 0.22 -0.03 -0.12 -0.04 1.46 1.49 2ri8B1 LYS 2167 HD2 0.30 -0.10 -0.04 -0.04 1.69 1.80 2ri8B1 LYS 2167 HD3 0.31 -0.03 0.01 -0.04 1.68 1.93 2ri8B1 LYS 2167 HE2 0.15 0.14 0.06 -0.04 2.99 3.31 2ri8B1 LYS 2167 HE3 0.14 -0.03 -0.02 -0.04 2.99 3.04 2ri8B1 PHE 2168 H 0.17 0.29 -0.33 -0.55 8.34 7.92 2ri8B1 PHE 2168 HA 0.06 0.00 0.33 -0.75 4.62 4.27 2ri8B1 PHE 2168 HB2 -0.08 0.01 0.12 -0.04 3.15 3.16 2ri8B1 PHE 2168 HB3 -0.08 0.03 0.09 -0.04 3.06 3.06 2ri8B1 PHE 2168 HD2 0.04 0.08 -0.16 -0.04 7.28 7.20 2ri8B1 PHE 2168 HE2 0.13 0.02 -0.08 -0.04 7.38 7.40 2ri8B1 PHE 2168 HZ 0.13 -0.21 -0.32 -0.04 7.32 6.88 2ri8B1 ALA 2169 H -0.47 0.36 -0.76 -0.55 8.40 6.99 2ri8B1 ALA 2169 HA -0.12 0.05 0.39 -0.75 4.34 3.91 2ri8B1 ALA 2169 HB3 -0.48 0.02 0.10 -0.04 1.41 1.01 2ri8B1 PHE 2170 H 0.05 0.68 -0.08 -0.55 8.34 8.44 2ri8B1 PHE 2170 HA -0.10 0.06 0.57 -0.75 4.62 4.40 2ri8B1 PHE 2170 HB2 -0.06 0.04 0.11 -0.04 3.15 3.19 2ri8B1 PHE 2170 HB3 -0.08 0.04 0.05 -0.04 3.06 3.02 2ri8B1 PHE 2170 HD2 -0.18 0.21 0.10 -0.04 7.28 7.37 2ri8B1 PHE 2170 HE2 -0.97 -0.03 -0.04 -0.04 7.38 6.30 2ri8B1 PHE 2170 HZ -1.16 -0.09 -0.09 -0.04 7.32 5.95 2ri8B1 ASP 2171 H 0.16 0.16 -0.20 -0.55 8.40 7.97 2ri8B1 ASP 2171 HA 0.09 0.01 0.30 -0.75 4.63 4.27 2ri8B1 ASP 2171 HB2 0.15 0.13 0.19 -0.04 2.71 3.14 2ri8B1 ASP 2171 HB3 0.09 -0.03 0.04 -0.04 2.70 2.77 2ri8B1 THR 2172 H 0.03 0.32 0.27 -0.55 8.28 8.36 2ri8B1 THR 2172 HA 0.02 0.10 0.65 -0.75 4.39 4.40 2ri8B1 THR 2172 HB -0.18 -0.07 0.07 -0.04 4.32 4.10 2ri8B1 THR 2172 HG23 -0.18 0.12 -0.52 -0.04 1.22 0.60 2ri8B1 PRO 2173 HA 0.00 0.02 0.44 -0.51 4.44 4.39 2ri8B1 PRO 2173 HB2 -0.06 -0.07 0.35 -0.04 2.28 2.45 2ri8B1 PRO 2173 HB3 -0.02 0.04 0.21 -0.04 2.02 2.20 2ri8B1 PRO 2173 HG2 -0.04 -0.08 0.17 -0.04 2.03 2.04 2ri8B1 PRO 2173 HG3 -0.01 0.00 0.12 -0.04 2.03 2.10 2ri8B1 PRO 2173 HD2 -0.09 0.24 0.18 -0.04 3.68 3.97 2ri8B1 PRO 2173 HD3 -0.02 0.08 0.16 -0.04 3.65 3.83 2ri8B1 SER 2174 H -0.10 0.19 -0.05 -0.55 8.46 7.96 2ri8B1 SER 2174 HA 0.05 0.05 0.38 -0.75 4.49 4.21 2ri8B1 SER 2174 HB2 -0.70 -0.04 0.00 -0.04 3.95 3.17 2ri8B1 SER 2174 HB3 -0.29 0.34 -0.11 -0.04 3.93 3.83 2ri8B1 GLY 2175 H -0.10 0.11 -0.11 -0.55 8.43 7.79 2ri8B1 GLY 2175 HA2 0.05 0.16 0.21 -0.51 4.01 3.92 2ri8B1 GLY 2175 HA3 0.09 0.14 0.63 -0.51 4.01 4.36 2ri8B1 VAL 2176 H -0.17 0.03 -0.02 -0.55 8.24 7.52 2ri8B1 VAL 2176 HA -0.06 0.04 0.46 -0.75 4.13 3.82 2ri8B1 VAL 2176 HB -0.27 -0.07 0.10 -0.04 2.12 1.84 2ri8B1 VAL 2176 HG13 -0.21 0.02 -0.12 -0.04 0.97 0.61 2ri8B1 VAL 2176 HG23 -0.38 0.02 -0.03 -0.04 0.95 0.52 2ri8B1 PRO 2177 HA -0.22 0.29 0.38 -0.51 4.44 4.37 2ri8B1 PRO 2177 HB2 -0.60 -0.04 -0.19 -0.04 2.28 1.41 2ri8B1 PRO 2177 HB3 -0.81 0.04 -0.06 -0.04 2.02 1.14 2ri8B1 PRO 2177 HG2 -0.22 -0.12 -0.13 -0.04 2.03 1.53 2ri8B1 PRO 2177 HG3 -0.27 -0.01 -0.00 -0.04 2.03 1.71 2ri8B1 PRO 2177 HD2 -0.04 -0.04 0.22 -0.04 3.68 3.77 2ri8B1 PRO 2177 HD3 0.19 0.34 0.36 -0.04 3.65 4.49 2ri8B1 TYR 2178 H -0.13 0.68 0.15 -0.55 8.29 8.44 2ri8B1 TYR 2178 HA -0.08 0.04 0.75 -0.75 4.56 4.51 2ri8B1 TYR 2178 HB2 -0.07 0.21 0.18 -0.04 3.06 3.34 2ri8B1 TYR 2178 HB3 -0.02 -0.13 -0.07 -0.04 2.98 2.71 2ri8B1 TYR 2178 HD2 -0.00 0.00 0.02 -0.04 7.15 7.13 2ri8B1 TYR 2178 HE2 0.00 0.14 0.03 -0.04 6.85 6.98 2ri8B1 ASN 2179 H 0.05 0.16 0.12 -0.55 8.53 8.31 2ri8B1 ASN 2179 HA -0.02 0.14 0.61 -0.75 4.76 4.74 2ri8B1 ASN 2179 HB2 -0.02 0.13 0.06 -0.04 2.88 3.01 2ri8B1 ASN 2179 HB3 0.02 0.01 0.14 -0.04 2.79 2.92 2ri8B1 ASN 2179 HD21 0.16 -0.12 0.05 -0.04 7.03 7.08 2ri8B1 ASN 2179 HD22 0.05 0.10 -0.00 -0.04 7.74 7.85 2ri8B1 ASN 2180 H 0.07 0.08 0.02 -0.55 8.53 8.15 2ri8B1 ASN 2180 HA 0.06 0.31 0.96 -0.75 4.76 5.34 2ri8B1 ASN 2180 HB2 0.03 -0.09 0.28 -0.04 2.88 3.05 2ri8B1 ASN 2180 HB3 0.03 0.06 0.08 -0.04 2.79 2.93 2ri8B1 ASN 2180 HD21 0.06 -0.05 -0.06 -0.04 7.03 6.94 2ri8B1 ASN 2180 HD22 0.06 0.10 -0.09 -0.04 7.74 7.76 2ri8B1 ILE 2181 H 0.07 0.53 0.23 -0.55 8.25 8.53 2ri8B1 ILE 2181 HA 0.09 0.28 1.20 -0.75 4.18 5.00 2ri8B1 ILE 2181 HB 0.47 0.11 0.00 -0.04 1.89 2.43 2ri8B1 ILE 2181 HG12 0.21 -0.14 -0.41 -0.04 1.49 1.11 2ri8B1 ILE 2181 HG13 -0.08 0.11 -0.17 -0.04 1.21 1.03 2ri8B1 ILE 2181 HG23 -0.01 -0.00 -0.29 -0.04 0.93 0.59 2ri8B1 ILE 2181 HD13 -0.03 0.05 -0.04 -0.04 0.88 0.82 2ri8B1 ASN 2182 H 0.24 0.54 0.10 -0.55 8.53 8.86 2ri8B1 ASN 2182 HA 0.12 0.17 0.76 -0.75 4.76 5.05 2ri8B1 ASN 2182 HB2 0.04 0.09 -0.04 -0.04 2.88 2.93 2ri8B1 ASN 2182 HB3 0.04 -0.16 0.22 -0.04 2.79 2.85 2ri8B1 ASN 2182 HD21 -0.01 0.11 -0.00 -0.04 7.03 7.09 2ri8B1 ASN 2182 HD22 0.00 0.05 -0.03 -0.04 7.74 7.72 2ri8B1 ILE 2183 H 0.22 0.25 0.02 -0.55 8.25 8.19 2ri8B1 ILE 2183 HA 0.55 0.16 0.41 -0.75 4.18 4.55 2ri8B1 ILE 2183 HB 0.31 0.10 0.22 -0.04 1.89 2.47 2ri8B1 ILE 2183 HG12 0.24 -0.11 0.01 -0.04 1.49 1.59 2ri8B1 ILE 2183 HG13 0.18 0.04 -0.11 -0.04 1.21 1.28 2ri8B1 ILE 2183 HG23 0.32 0.00 -0.06 -0.04 0.93 1.15 2ri8B1 ILE 2183 HD13 0.35 -0.02 -0.09 -0.04 0.88 1.07 2ri8B1 THR 2184 H 0.02 -0.13 -1.18 -0.55 8.28 6.44 2ri8B1 THR 2184 HA -0.15 0.30 0.93 -0.75 4.39 4.72 2ri8B1 THR 2184 HB -0.04 -0.15 0.07 -0.04 4.32 4.16 2ri8B1 THR 2184 HG23 -0.07 0.01 -0.08 -0.04 1.22 1.04 2ri8B1 SER 2185 H -0.10 0.04 0.13 -0.55 8.46 7.99 2ri8B1 SER 2185 HA -0.20 0.19 0.54 -0.75 4.49 4.26 2ri8B1 SER 2185 HB2 -0.07 0.08 0.16 -0.04 3.95 4.07 2ri8B1 SER 2185 HB3 -0.07 0.02 0.13 -0.04 3.93 3.97 2ri8B1 HIS 2186 H -0.21 0.15 -0.27 -0.55 8.41 7.54 2ri8B1 HIS 2186 HA -0.97 0.08 0.30 -0.75 4.63 3.29 2ri8B1 HIS 2186 HB2 -0.27 0.22 0.05 -0.04 3.26 3.23 2ri8B1 HIS 2186 HB3 -0.64 -0.02 0.18 -0.04 3.20 2.67 2ri8B1 HIS 2186 HD2 -0.78 -0.02 -0.09 -0.04 6.97 6.03 2ri8B1 HIS 2186 HE1 -0.08 -0.05 -0.01 -0.04 7.75 7.56 2ri8B1 GLY 2187 H -0.04 -0.22 -0.54 -0.55 8.43 7.09 2ri8B1 GLY 2187 HA2 -0.03 0.21 0.50 -0.51 4.01 4.17 2ri8B1 GLY 2187 HA3 -0.03 -0.02 0.25 -0.51 4.01 3.70 2ri8B1 ASN 2188 H -0.10 0.24 0.21 -0.55 8.53 8.33 2ri8B1 ASN 2188 HA -0.06 0.19 0.80 -0.75 4.76 4.93 2ri8B1 ASN 2188 HB2 -0.44 -0.14 0.16 -0.04 2.88 2.42 2ri8B1 ASN 2188 HB3 -0.27 0.21 -0.17 -0.04 2.79 2.51 2ri8B1 ASN 2188 HD21 -0.40 0.06 -0.01 -0.04 7.03 6.64 2ri8B1 ASN 2188 HD22 -0.30 0.18 -0.16 -0.04 7.74 7.41 2ri8B1 ASP 2189 H -0.07 0.49 0.30 -0.55 8.40 8.57 2ri8B1 ASP 2189 HA -0.03 0.06 0.37 -0.75 4.63 4.28 2ri8B1 ASP 2189 HB2 0.00 0.02 0.24 -0.04 2.71 2.93 2ri8B1 ASP 2189 HB3 -0.00 -0.09 0.18 -0.04 2.70 2.75 2ri8B1 GLY 2190 H -0.18 -0.02 -0.75 -0.55 8.43 6.93 2ri8B1 GLY 2190 HA2 -0.06 0.05 0.27 -0.51 4.01 3.75 2ri8B1 GLY 2190 HA3 -0.03 0.11 0.58 -0.51 4.01 4.16 2ri8B1 ALA 2191 H 0.06 -0.05 -0.07 -0.55 8.40 7.80 2ri8B1 ALA 2191 HA 0.04 0.18 0.68 -0.75 4.34 4.48 2ri8B1 ALA 2191 HB3 0.08 -0.01 0.09 -0.04 1.41 1.53 2ri8B1 THR 2192 H 0.02 0.13 0.14 -0.55 8.28 8.02 2ri8B1 THR 2192 HA 0.02 0.26 0.87 -0.75 4.39 4.79 2ri8B1 THR 2192 HB -0.02 -0.02 0.21 -0.04 4.32 4.45 2ri8B1 THR 2192 HG23 0.02 0.04 -0.05 -0.04 1.22 1.18 2ri8B1 THR 2193 H -0.01 0.26 -0.10 -0.55 8.28 7.88 2ri8B1 THR 2193 HA -0.13 0.14 0.51 -0.75 4.39 4.16 2ri8B1 THR 2193 HB -0.11 -0.09 -0.07 -0.04 4.32 4.00 2ri8B1 THR 2193 HG23 -0.08 0.02 -0.25 -0.04 1.22 0.87 2ri8B1 ASN 2194 H -0.17 0.39 0.18 -0.55 8.53 8.38 2ri8B1 ASN 2194 HA -0.09 -0.03 0.69 -0.75 4.76 4.57 2ri8B1 ASN 2194 HB2 -0.17 0.13 -0.18 -0.04 2.88 2.62 2ri8B1 ASN 2194 HB3 -0.17 0.05 -0.01 -0.04 2.79 2.62 2ri8B1 ASN 2194 HD21 -0.10 -0.13 -0.23 -0.04 7.03 6.53 2ri8B1 ASN 2194 HD22 -0.13 0.04 -0.19 -0.04 7.74 7.42 2ri8B1 GLY 2195 H -0.12 0.03 0.14 -0.55 8.43 7.94 2ri8B1 GLY 2195 HA2 -0.16 0.26 0.69 -0.51 4.01 4.30 2ri8B1 GLY 2195 HA3 -0.14 -0.05 0.44 -0.51 4.01 3.76 2ri8B1 LEU 2196 H -0.18 0.52 0.28 -0.55 8.37 8.44 2ri8B1 LEU 2196 HA -0.33 0.12 0.37 -0.75 4.35 3.76 2ri8B1 LEU 2196 HB2 -0.17 0.04 0.28 -0.04 1.64 1.75 2ri8B1 LEU 2196 HB3 -0.18 -0.08 0.26 -0.04 1.64 1.60 2ri8B1 LEU 2196 HG -0.26 0.29 0.07 -0.04 1.64 1.69 2ri8B1 LEU 2196 HD13 -0.25 -0.01 -0.00 -0.04 0.93 0.63 2ri8B1 LEU 2196 HD23 -0.98 -0.02 -0.01 -0.04 0.89 -0.16 2ri8B1 ALA 2197 H -0.17 0.68 0.13 -0.55 8.40 8.50 2ri8B1 ALA 2197 HA -0.13 0.08 0.20 -0.75 4.34 3.73 2ri8B1 ALA 2197 HB3 -0.26 -0.05 -0.34 -0.04 1.41 0.72 2ri8B1 VAL 2198 H -0.30 0.11 -0.23 -0.55 8.24 7.28 2ri8B1 VAL 2198 HA -0.40 0.02 0.31 -0.75 4.13 3.31 2ri8B1 VAL 2198 HB -0.07 -0.04 0.05 -0.04 2.12 2.02 2ri8B1 VAL 2198 HG13 -0.48 -0.03 0.02 -0.04 0.97 0.44 2ri8B1 VAL 2198 HG23 -0.14 0.03 -0.07 -0.04 0.95 0.73 2ri8B1 THR 2199 H -0.16 0.31 -0.57 -0.55 8.28 7.31 2ri8B1 THR 2199 HA -0.06 0.10 0.61 -0.75 4.39 4.29 2ri8B1 THR 2199 HB -0.17 0.10 0.06 -0.04 4.32 4.27 2ri8B1 THR 2199 HG23 -0.07 0.00 -0.11 -0.04 1.22 1.00 2ri8B1 GLY 2200 H -0.09 0.76 0.10 -0.55 8.43 8.65 2ri8B1 GLY 2200 HA2 0.12 0.10 0.51 -0.51 4.01 4.23 2ri8B1 GLY 2200 HA3 0.22 0.02 0.36 -0.51 4.01 4.10 2ri8B1 THR 2201 H 0.03 0.24 -0.69 -0.55 8.28 7.31 2ri8B1 THR 2201 HA -0.27 0.21 0.90 -0.75 4.39 4.48 2ri8B1 THR 2201 HB 0.15 -0.02 0.01 -0.04 4.32 4.42 2ri8B1 THR 2201 HG23 -0.42 -0.02 0.04 -0.04 1.22 0.78 2ri8B1 LEU 2202 H 0.21 0.14 -0.20 -0.55 8.37 7.97 2ri8B1 LEU 2202 HA 0.39 0.17 0.92 -0.75 4.35 5.07 2ri8B1 LEU 2202 HB2 0.05 0.12 -0.01 -0.04 1.64 1.75 2ri8B1 LEU 2202 HB3 0.07 -0.04 0.01 -0.04 1.64 1.64 2ri8B1 LEU 2202 HG 0.14 -0.03 -0.35 -0.04 1.64 1.36 2ri8B1 LEU 2202 HD13 -0.02 0.03 -0.04 -0.04 0.93 0.87 2ri8B1 LEU 2202 HD23 0.31 -0.01 -0.13 -0.04 0.89 1.02 2ri8B1 VAL 2203 H 0.22 0.14 0.00 -0.55 8.24 8.06 2ri8B1 VAL 2203 HA 0.13 0.04 0.23 -0.75 4.13 3.78 2ri8B1 VAL 2203 HB 0.02 0.06 -0.15 -0.04 2.12 2.01 2ri8B1 VAL 2203 HG13 0.15 0.05 -0.15 -0.04 0.97 0.99 2ri8B1 VAL 2203 HG23 0.26 -0.00 -0.01 -0.04 0.95 1.15 2ri8B1 LEU 2204 H 0.06 0.07 -0.33 -0.55 8.37 7.63 2ri8B1 LEU 2204 HA -0.32 0.14 0.31 -0.75 4.35 3.72 2ri8B1 LEU 2204 HB2 -0.67 -0.02 -0.03 -0.04 1.64 0.89 2ri8B1 LEU 2204 HB3 -0.29 -0.07 -0.06 -0.04 1.64 1.18 2ri8B1 LEU 2204 HG -0.42 0.05 -0.17 -0.04 1.64 1.05 2ri8B1 LEU 2204 HD13 -0.26 0.01 -0.21 -0.04 0.93 0.42 2ri8B1 LEU 2204 HD23 -0.51 0.02 -0.14 -0.04 0.89 0.22 2ri8B1 GLU 2205 H 0.11 0.11 -0.15 -0.55 8.60 8.13 2ri8B1 GLU 2205 HA -0.09 0.14 0.43 -0.75 4.29 4.02 2ri8B1 GLU 2205 HB2 -0.10 0.02 -0.08 -0.04 2.09 1.89 2ri8B1 GLU 2205 HB3 -0.00 0.01 0.01 -0.04 1.99 1.97 2ri8B1 GLU 2205 HG2 0.34 0.13 0.06 -0.04 2.34 2.83 2ri8B1 GLU 2205 HG3 0.16 0.04 -0.08 -0.04 2.34 2.42 2ri8B1 TRP 2206 H 0.42 0.44 -0.20 -0.55 7.97 8.08 2ri8B1 TRP 2206 HA -0.06 0.05 0.43 -0.75 4.62 4.30 2ri8B1 TRP 2206 HB2 0.03 0.04 0.01 -0.04 3.23 3.28 2ri8B1 TRP 2206 HB3 0.05 0.07 -0.14 -0.04 3.23 3.16 2ri8B1 TRP 2206 HD1 0.09 0.20 0.08 -0.04 7.22 7.55 2ri8B1 TRP 2206 HE1 0.11 -0.02 -0.01 -0.04 10.20 10.24 2ri8B1 TRP 2206 HE3 0.14 -0.08 0.07 -0.04 7.59 7.68 2ri8B1 TRP 2206 HZ2 0.09 -0.01 -0.05 -0.04 7.44 7.44 2ri8B1 TRP 2206 HZ3 0.26 0.01 -0.00 -0.04 7.13 7.36 2ri8B1 TRP 2206 HH2 0.18 0.06 -0.02 -0.04 7.19 7.37 2ri8B1 THR 2207 H 0.14 0.62 -0.07 -0.55 8.28 8.42 2ri8B1 THR 2207 HA 0.13 -0.11 0.32 -0.75 4.39 3.98 2ri8B1 THR 2207 HB -0.15 0.12 0.07 -0.04 4.32 4.32 2ri8B1 THR 2207 HG23 0.21 -0.01 -0.07 -0.04 1.22 1.31 2ri8B1 ARG 2208 H -0.13 0.41 -0.48 -0.55 8.46 7.71 2ri8B1 ARG 2208 HA -0.05 0.06 0.37 -0.75 4.34 3.97 2ri8B1 ARG 2208 HB2 -0.30 0.09 0.06 -0.04 1.90 1.71 2ri8B1 ARG 2208 HB3 -0.15 0.07 0.08 -0.04 1.80 1.77 2ri8B1 ARG 2208 HG2 -0.08 -0.06 -0.05 -0.04 1.67 1.44 2ri8B1 ARG 2208 HG3 -0.10 -0.03 -0.18 -0.04 1.67 1.32 2ri8B1 ARG 2208 HD2 0.06 -0.05 0.07 -0.04 3.22 3.26 2ri8B1 ARG 2208 HD3 0.09 0.09 -0.02 -0.04 3.22 3.34 2ri8B1 LEU 2209 H -0.08 0.40 -0.26 -0.55 8.37 7.89 2ri8B1 LEU 2209 HA -0.11 0.09 0.51 -0.75 4.35 4.07 2ri8B1 LEU 2209 HB2 -0.31 0.06 0.11 -0.04 1.64 1.46 2ri8B1 LEU 2209 HB3 -0.24 0.04 0.18 -0.04 1.64 1.58 2ri8B1 LEU 2209 HG -0.13 -0.07 -0.19 -0.04 1.64 1.21 2ri8B1 LEU 2209 HD13 -0.19 0.00 -0.02 -0.04 0.93 0.69 2ri8B1 LEU 2209 HD23 -0.90 -0.01 -0.06 -0.04 0.89 -0.12 2ri8B1 SER 2210 H 0.15 0.48 -0.02 -0.55 8.46 8.53 2ri8B1 SER 2210 HA 0.23 0.09 0.34 -0.75 4.49 4.39 2ri8B1 SER 2210 HB2 0.14 0.15 0.13 -0.04 3.95 4.33 2ri8B1 SER 2210 HB3 0.09 0.05 -0.10 -0.04 3.93 3.92 2ri8B1 ASP 2211 H 0.08 0.49 -0.34 -0.55 8.40 8.08 2ri8B1 ASP 2211 HA 0.05 -0.01 0.29 -0.75 4.63 4.21 2ri8B1 ASP 2211 HB2 0.10 0.12 0.09 -0.04 2.71 2.97 2ri8B1 ASP 2211 HB3 0.08 -0.01 -0.07 -0.04 2.70 2.66 2ri8B1 LEU 2212 H -0.00 0.17 -0.55 -0.55 8.37 7.44 2ri8B1 LEU 2212 HA -0.05 0.12 0.69 -0.75 4.35 4.35 2ri8B1 LEU 2212 HB2 -0.11 0.01 0.24 -0.04 1.64 1.74 2ri8B1 LEU 2212 HB3 -0.18 -0.10 0.00 -0.04 1.64 1.32 2ri8B1 LEU 2212 HG -0.09 0.07 -0.03 -0.04 1.64 1.55 2ri8B1 LEU 2212 HD13 -0.30 -0.04 -0.02 -0.04 0.93 0.52 2ri8B1 LEU 2212 HD23 -0.21 0.00 0.03 -0.04 0.89 0.67 2ri8B1 THR 2213 H 0.03 0.73 0.06 -0.55 8.28 8.55 2ri8B1 THR 2213 HA 0.01 0.08 0.62 -0.75 4.39 4.35 2ri8B1 THR 2213 HB 0.08 -0.09 0.12 -0.04 4.32 4.38 2ri8B1 THR 2213 HG23 0.05 0.01 0.01 -0.04 1.22 1.25 2ri8B1 GLY 2214 H 0.05 0.02 0.09 -0.55 8.43 8.03 2ri8B1 GLY 2214 HA2 0.01 0.15 0.31 -0.51 4.01 3.97 2ri8B1 GLY 2214 HA3 0.00 0.04 0.38 -0.51 4.01 3.92 2ri8B1 ASP 2215 H -0.01 0.12 0.13 -0.55 8.40 8.09 2ri8B1 ASP 2215 HA -0.09 0.06 0.48 -0.75 4.63 4.34 2ri8B1 ASP 2215 HB2 -0.10 0.10 0.15 -0.04 2.71 2.83 2ri8B1 ASP 2215 HB3 -0.23 0.00 0.23 -0.04 2.70 2.66 2ri8B1 GLU 2216 H -0.07 0.24 0.30 -0.55 8.60 8.53 2ri8B1 GLU 2216 HA -0.00 0.07 0.56 -0.75 4.29 4.17 2ri8B1 GLU 2216 HB2 -0.03 0.02 0.11 -0.04 2.09 2.15 2ri8B1 GLU 2216 HB3 0.00 -0.05 0.16 -0.04 1.99 2.06 2ri8B1 GLU 2216 HG2 0.01 -0.01 -0.02 -0.04 2.34 2.28 2ri8B1 GLU 2216 HG3 -0.01 0.38 0.12 -0.04 2.34 2.79 2ri8B1 GLU 2217 H -0.23 0.11 -0.46 -0.55 8.60 7.48 2ri8B1 GLU 2217 HA -0.08 0.11 0.39 -0.75 4.29 3.96 2ri8B1 GLU 2217 HB2 -0.14 0.04 0.06 -0.04 2.09 2.01 2ri8B1 GLU 2217 HB3 -0.38 0.01 0.00 -0.04 1.99 1.58 2ri8B1 GLU 2217 HG2 -0.01 -0.02 -0.20 -0.04 2.34 2.07 2ri8B1 GLU 2217 HG3 -0.04 0.04 0.02 -0.04 2.34 2.32 2ri8B1 TYR 2218 H -0.30 0.24 -0.25 -0.55 8.29 7.43 2ri8B1 TYR 2218 HA 0.39 0.10 0.39 -0.75 4.56 4.69 2ri8B1 TYR 2218 HB2 0.12 -0.01 0.07 -0.04 3.06 3.20 2ri8B1 TYR 2218 HB3 0.31 0.01 0.01 -0.04 2.98 3.27 2ri8B1 TYR 2218 HD2 0.19 0.02 -0.08 -0.04 7.15 7.23 2ri8B1 TYR 2218 HE2 0.03 0.02 -0.06 -0.04 6.85 6.80 2ri8B1 ALA 2219 H 0.16 0.12 -0.23 -0.55 8.40 7.90 2ri8B1 ALA 2219 HA 0.16 0.00 0.30 -0.75 4.34 4.05 2ri8B1 ALA 2219 HB3 0.11 0.06 0.08 -0.04 1.41 1.61 2ri8B1 LYS 2220 H 0.01 0.51 -0.20 -0.55 8.42 8.18 2ri8B1 LYS 2220 HA -0.01 0.04 0.37 -0.75 4.32 3.97 2ri8B1 LYS 2220 HB2 -0.02 0.04 0.07 -0.04 1.87 1.92 2ri8B1 LYS 2220 HB3 -0.05 0.01 0.14 -0.04 1.79 1.85 2ri8B1 LYS 2220 HG2 -0.05 0.04 -0.18 -0.04 1.46 1.23 2ri8B1 LYS 2220 HG3 -0.03 -0.02 -0.01 -0.04 1.46 1.36 2ri8B1 LYS 2220 HD2 -0.03 -0.03 -0.04 -0.04 1.69 1.56 2ri8B1 LYS 2220 HD3 -0.02 0.03 -0.04 -0.04 1.68 1.61 2ri8B1 LYS 2220 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.92 2ri8B1 LYS 2220 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 2ri8B1 LEU 2221 H -0.14 0.65 -0.04 -0.55 8.37 8.30 2ri8B1 LEU 2221 HA -0.34 0.07 0.38 -0.75 4.35 3.72 2ri8B1 LEU 2221 HB2 -0.65 0.00 0.15 -0.04 1.64 1.10 2ri8B1 LEU 2221 HB3 -1.44 -0.00 0.04 -0.04 1.64 0.20 2ri8B1 LEU 2221 HG -0.12 0.20 0.17 -0.04 1.64 1.84 2ri8B1 LEU 2221 HD13 0.08 -0.03 -0.04 -0.04 0.93 0.90 2ri8B1 LEU 2221 HD23 -0.10 -0.01 -0.00 -0.04 0.89 0.74 2ri8B1 SER 2222 H -0.34 0.43 -0.25 -0.55 8.46 7.75 2ri8B1 SER 2222 HA -0.42 0.07 0.40 -0.75 4.49 3.78 2ri8B1 SER 2222 HB2 -0.06 -0.17 -0.11 -0.04 3.95 3.56 2ri8B1 SER 2222 HB3 -0.41 -0.01 -0.00 -0.04 3.93 3.47 2ri8B1 GLN 2223 H -0.03 0.64 -0.06 -0.55 8.47 8.48 2ri8B1 GLN 2223 HA 0.12 -0.05 0.47 -0.75 4.36 4.15 2ri8B1 GLN 2223 HB2 0.07 0.10 0.11 -0.04 2.15 2.38 2ri8B1 GLN 2223 HB3 0.17 -0.05 0.06 -0.04 2.02 2.16 2ri8B1 GLN 2223 HG2 0.19 -0.12 0.02 -0.04 2.40 2.44 2ri8B1 GLN 2223 HG3 0.10 0.30 0.19 -0.04 2.39 2.95 2ri8B1 GLN 2223 HE21 0.28 0.00 -0.03 -0.04 6.97 7.18 2ri8B1 GLN 2223 HE22 0.19 -0.06 0.02 -0.04 7.69 7.80 2ri8B1 LYS 2224 H -0.07 0.67 -0.23 -0.55 8.42 8.23 2ri8B1 LYS 2224 HA -0.03 -0.01 0.43 -0.75 4.32 3.96 2ri8B1 LYS 2224 HB2 -0.04 -0.04 0.08 -0.04 1.87 1.83 2ri8B1 LYS 2224 HB3 -0.08 0.14 0.14 -0.04 1.79 1.95 2ri8B1 LYS 2224 HG2 0.02 0.02 0.01 -0.04 1.46 1.46 2ri8B1 LYS 2224 HG3 0.09 0.02 -0.27 -0.04 1.46 1.26 2ri8B1 LYS 2224 HD2 -0.06 -0.09 0.12 -0.04 1.69 1.62 2ri8B1 LYS 2224 HD3 -0.02 -0.06 0.03 -0.04 1.68 1.59 2ri8B1 LYS 2224 HE2 -0.03 -0.09 0.03 -0.04 2.99 2.86 2ri8B1 LYS 2224 HE3 0.05 0.06 0.06 -0.04 2.99 3.12 2ri8B1 ALA 2225 H -0.03 0.39 -0.23 -0.55 8.40 7.98 2ri8B1 ALA 2225 HA 0.20 0.03 0.28 -0.75 4.34 4.09 2ri8B1 ALA 2225 HB3 0.09 0.05 0.09 -0.04 1.41 1.60 2ri8B1 GLU 2226 H 0.05 0.34 -0.26 -0.55 8.60 8.19 2ri8B1 GLU 2226 HA 0.06 0.01 0.36 -0.75 4.29 3.96 2ri8B1 GLU 2226 HB2 0.11 -0.02 0.09 -0.04 2.09 2.23 2ri8B1 GLU 2226 HB3 0.11 0.12 0.10 -0.04 1.99 2.29 2ri8B1 GLU 2226 HG2 -0.14 -0.01 -0.06 -0.04 2.34 2.09 2ri8B1 GLU 2226 HG3 -0.07 -0.04 -0.05 -0.04 2.34 2.14 2ri8B1 SER 2227 H -0.01 0.45 -0.33 -0.55 8.46 8.03 2ri8B1 SER 2227 HA -0.06 -0.04 0.31 -0.75 4.49 3.96 2ri8B1 SER 2227 HB2 -0.20 -0.06 0.01 -0.04 3.95 3.65 2ri8B1 SER 2227 HB3 -0.11 0.07 0.14 -0.04 3.93 3.99 2ri8B1 TYR 2228 H -0.09 0.30 -0.28 -0.55 8.29 7.68 2ri8B1 TYR 2228 HA 0.04 0.08 0.31 -0.75 4.56 4.23 2ri8B1 TYR 2228 HB2 -0.03 0.06 0.02 -0.04 3.06 3.07 2ri8B1 TYR 2228 HB3 0.05 0.11 0.06 -0.04 2.98 3.15 2ri8B1 TYR 2228 HD2 -0.00 0.07 0.03 -0.04 7.15 7.21 2ri8B1 TYR 2228 HE2 -0.01 0.02 -0.10 -0.04 6.85 6.72 2ri8B1 LEU 2229 H 0.09 0.33 -0.37 -0.55 8.37 7.88 2ri8B1 LEU 2229 HA 0.23 0.04 0.45 -0.75 4.35 4.31 2ri8B1 LEU 2229 HB2 0.06 0.09 0.04 -0.04 1.64 1.78 2ri8B1 LEU 2229 HB3 -0.49 -0.08 0.04 -0.04 1.64 1.06 2ri8B1 LEU 2229 HG -0.01 0.12 0.02 -0.04 1.64 1.73 2ri8B1 LEU 2229 HD13 -0.24 -0.04 -0.06 -0.04 0.93 0.54 2ri8B1 LEU 2229 HD23 -0.22 -0.01 -0.13 -0.04 0.89 0.48 2ri8B1 LEU 2230 H 0.02 0.36 -0.18 -0.55 8.37 8.02 2ri8B1 LEU 2230 HA 0.04 0.01 0.51 -0.75 4.35 4.15 2ri8B1 LEU 2230 HB2 -0.04 0.14 0.09 -0.04 1.64 1.80 2ri8B1 LEU 2230 HB3 -0.03 -0.07 0.01 -0.04 1.64 1.51 2ri8B1 LEU 2230 HG -0.13 0.18 -0.06 -0.04 1.64 1.59 2ri8B1 LEU 2230 HD13 -0.37 -0.03 -0.10 -0.04 0.93 0.38 2ri8B1 LEU 2230 HD23 -0.19 -0.02 -0.08 -0.04 0.89 0.56 2ri8B1 LYS 2231 H 0.01 0.41 -0.26 -0.55 8.42 8.02 2ri8B1 LYS 2231 HA -0.01 0.13 0.76 -0.75 4.32 4.45 2ri8B1 LYS 2231 HB2 -0.03 0.05 0.04 -0.04 1.87 1.88 2ri8B1 LYS 2231 HB3 -0.01 -0.05 0.14 -0.04 1.79 1.83 2ri8B1 LYS 2231 HG2 -0.01 0.04 -0.07 -0.04 1.46 1.39 2ri8B1 LYS 2231 HG3 -0.02 -0.06 -0.05 -0.04 1.46 1.30 2ri8B1 LYS 2231 HD2 -0.01 -0.04 -0.04 -0.04 1.69 1.56 2ri8B1 LYS 2231 HD3 -0.01 0.06 -0.05 -0.04 1.68 1.64 2ri8B1 LYS 2231 HE2 -0.00 -0.04 -0.03 -0.04 2.99 2.88 2ri8B1 LYS 2231 HE3 -0.00 0.00 -0.03 -0.04 2.99 2.93 2ri8B1 PRO 2232 HA -0.14 0.11 0.45 -0.51 4.44 4.35 2ri8B1 PRO 2232 HB2 -0.46 -0.06 -0.16 -0.04 2.28 1.56 2ri8B1 PRO 2232 HB3 -0.51 0.05 0.02 -0.04 2.02 1.54 2ri8B1 PRO 2232 HG2 -0.12 -0.06 0.01 -0.04 2.03 1.82 2ri8B1 PRO 2232 HG3 -0.12 -0.01 -0.04 -0.04 2.03 1.81 2ri8B1 PRO 2232 HD2 -0.04 0.12 0.02 -0.04 3.68 3.75 2ri8B1 PRO 2232 HD3 -0.04 0.32 -0.43 -0.04 3.65 3.46 2ri8B1 GLN 2233 H -0.01 0.30 0.24 -0.55 8.47 8.46 2ri8B1 GLN 2233 HA -0.04 -0.02 0.63 -0.75 4.36 4.17 2ri8B1 GLN 2233 HB2 0.08 0.02 0.05 -0.04 2.15 2.26 2ri8B1 GLN 2233 HB3 0.03 -0.09 0.01 -0.04 2.02 1.93 2ri8B1 GLN 2233 HG2 -0.00 -0.07 -0.06 -0.04 2.40 2.23 2ri8B1 GLN 2233 HG3 0.01 0.23 -0.64 -0.04 2.39 1.95 2ri8B1 GLN 2233 HE21 0.02 -0.07 -0.05 -0.04 6.97 6.83 2ri8B1 GLN 2233 HE22 0.02 0.21 -0.08 -0.04 7.69 7.80 2ri8B1 PRO 2234 HA -0.02 0.12 0.42 -0.51 4.44 4.45 2ri8B1 PRO 2234 HB2 -0.02 -0.06 0.07 -0.04 2.28 2.23 2ri8B1 PRO 2234 HB3 -0.00 0.09 0.14 -0.04 2.02 2.21 2ri8B1 PRO 2234 HG2 -0.02 -0.10 0.05 -0.04 2.03 1.92 2ri8B1 PRO 2234 HG3 0.00 0.11 0.10 -0.04 2.03 2.20 2ri8B1 PRO 2234 HD2 0.06 0.12 0.42 -0.04 3.68 4.24 2ri8B1 PRO 2234 HD3 0.04 0.10 0.37 -0.04 3.65 4.11 2ri8B1 SER 2235 H -0.04 0.18 0.15 -0.55 8.46 8.21 2ri8B1 SER 2235 HA -0.08 0.20 0.30 -0.75 4.49 4.16 2ri8B1 SER 2235 HB2 -0.05 0.09 0.09 -0.04 3.95 4.04 2ri8B1 SER 2235 HB3 -0.04 0.02 0.14 -0.04 3.93 4.02 2ri8B1 SER 2236 H -0.05 -0.04 -0.60 -0.55 8.46 7.23 2ri8B1 SER 2236 HA -0.07 0.14 0.38 -0.75 4.49 4.19 2ri8B1 SER 2236 HB2 -0.03 0.01 0.02 -0.04 3.95 3.91 2ri8B1 SER 2236 HB3 -0.03 -0.02 0.02 -0.04 3.93 3.86 2ri8B1 SER 2237 H -0.10 0.70 -0.25 -0.55 8.46 8.27 2ri8B1 SER 2237 HA -0.06 0.03 0.53 -0.75 4.49 4.25 2ri8B1 SER 2237 HB2 -0.30 0.15 -0.06 -0.04 3.95 3.71 2ri8B1 SER 2237 HB3 -0.35 -0.16 0.15 -0.04 3.93 3.53 2ri8B1 GLU 2238 H -0.13 0.31 -0.62 -0.55 8.60 7.60 2ri8B1 GLU 2238 HA -0.11 0.42 0.93 -0.75 4.29 4.77 2ri8B1 GLU 2238 HB2 -0.16 -0.05 -0.12 -0.04 2.09 1.72 2ri8B1 GLU 2238 HB3 -0.11 0.03 0.10 -0.04 1.99 1.97 2ri8B1 GLU 2238 HG2 -0.06 -0.07 -0.13 -0.04 2.34 2.04 2ri8B1 GLU 2238 HG3 -0.03 0.23 0.01 -0.04 2.34 2.51 2ri8B1 PRO 2239 HA -0.39 0.01 0.36 -0.51 4.44 3.90 2ri8B1 PRO 2239 HB2 -0.88 -0.01 -0.05 -0.04 2.28 1.31 2ri8B1 PRO 2239 HB3 -0.64 -0.08 0.05 -0.04 2.02 1.31 2ri8B1 PRO 2239 HG2 -0.04 0.06 0.01 -0.04 2.03 2.02 2ri8B1 PRO 2239 HG3 -0.13 0.05 0.03 -0.04 2.03 1.95 2ri8B1 PRO 2239 HD2 -0.08 0.25 0.04 -0.04 3.68 3.84 2ri8B1 PRO 2239 HD3 -0.10 0.09 -0.98 -0.04 3.65 2.62 2ri8B1 PHE 2240 H -0.16 0.32 -0.31 -0.55 8.34 7.63 2ri8B1 PHE 2240 HA -0.13 0.17 0.66 -0.75 4.62 4.56 2ri8B1 PHE 2240 HB2 -0.10 -0.08 -0.11 -0.04 3.15 2.82 2ri8B1 PHE 2240 HB3 -0.15 0.04 0.08 -0.04 3.06 2.99 2ri8B1 PHE 2240 HD2 -0.48 -0.00 -0.06 -0.04 7.28 6.69 2ri8B1 PHE 2240 HE2 -0.72 -0.03 -0.09 -0.04 7.38 6.49 2ri8B1 PHE 2240 HZ -1.17 -0.04 -0.10 -0.04 7.32 5.97 2ri8B1 PRO 2241 HA 0.03 0.05 0.47 -0.51 4.44 4.48 2ri8B1 PRO 2241 HB2 0.06 0.02 0.13 -0.04 2.28 2.46 2ri8B1 PRO 2241 HB3 0.04 0.03 0.08 -0.04 2.02 2.13 2ri8B1 PRO 2241 HG2 0.07 0.03 0.08 -0.04 2.03 2.16 2ri8B1 PRO 2241 HG3 0.04 0.06 0.06 -0.04 2.03 2.15 2ri8B1 PRO 2241 HD2 0.16 0.08 0.19 -0.04 3.68 4.08 2ri8B1 PRO 2241 HD3 0.10 0.18 0.17 -0.04 3.65 4.06 2ri8B1 GLY 2242 H 0.04 0.19 0.15 -0.55 8.43 8.26 2ri8B1 GLY 2242 HA2 0.09 0.06 0.37 -0.51 4.01 4.02 2ri8B1 GLY 2242 HA3 0.08 0.03 0.39 -0.51 4.01 3.99 2ri8B1 LEU 2243 H 0.13 0.38 -0.66 -0.55 8.37 7.67 2ri8B1 LEU 2243 HA 0.28 0.02 0.74 -0.75 4.35 4.64 2ri8B1 LEU 2243 HB2 0.26 0.02 -0.05 -0.04 1.64 1.83 2ri8B1 LEU 2243 HB3 0.25 -0.00 -0.06 -0.04 1.64 1.79 2ri8B1 LEU 2243 HG 0.20 -0.06 -0.09 -0.04 1.64 1.64 2ri8B1 LEU 2243 HD13 0.10 0.05 -0.18 -0.04 0.93 0.86 2ri8B1 LEU 2243 HD23 0.09 -0.01 -0.23 -0.04 0.89 0.71 2ri8B1 VAL 2244 H 0.31 0.08 0.14 -0.55 8.24 8.22 2ri8B1 VAL 2244 HA -0.06 0.47 1.01 -0.75 4.13 4.80 2ri8B1 VAL 2244 HB -0.28 -0.13 0.17 -0.04 2.12 1.84 2ri8B1 VAL 2244 HG13 -0.11 0.05 -0.17 -0.04 0.97 0.71 2ri8B1 VAL 2244 HG23 0.01 0.01 -0.03 -0.04 0.95 0.91 2ri8B1 GLY 2245 H 0.07 0.12 0.18 -0.55 8.43 8.26 2ri8B1 GLY 2245 HA2 0.14 0.23 0.41 -0.51 4.01 4.28 2ri8B1 GLY 2245 HA3 0.31 0.05 0.32 -0.51 4.01 4.18 2ri8B1 SER 2246 H 0.06 0.05 0.20 -0.55 8.46 8.23 2ri8B1 SER 2246 HA -0.03 0.14 0.63 -0.75 4.49 4.48 2ri8B1 SER 2246 HB2 -0.00 -0.04 0.07 -0.04 3.95 3.93 2ri8B1 SER 2246 HB3 -0.02 -0.08 0.10 -0.04 3.93 3.89 2ri8B1 SER 2247 H -0.08 0.15 -0.07 -0.55 8.46 7.91 2ri8B1 SER 2247 HA -0.21 0.19 0.84 -0.75 4.49 4.56 2ri8B1 SER 2247 HB2 -0.12 0.02 -0.12 -0.04 3.95 3.69 2ri8B1 SER 2247 HB3 -0.10 0.04 -0.15 -0.04 3.93 3.68 2ri8B1 ILE 2248 H -0.29 0.49 0.18 -0.55 8.25 8.08 2ri8B1 ILE 2248 HA -0.45 0.18 1.12 -0.75 4.18 4.28 2ri8B1 ILE 2248 HB -0.39 0.00 0.04 -0.04 1.89 1.51 2ri8B1 ILE 2248 HG12 -0.87 0.09 -0.17 -0.04 1.49 0.50 2ri8B1 ILE 2248 HG13 -1.63 0.02 -0.40 -0.04 1.21 -0.84 2ri8B1 ILE 2248 HG23 -0.38 0.08 -0.31 -0.04 0.93 0.28 2ri8B1 ILE 2248 HD13 -0.49 -0.05 -0.24 -0.04 0.88 0.07 2ri8B1 ASN 2249 H -0.17 0.62 0.28 -0.55 8.53 8.71 2ri8B1 ASN 2249 HA -0.13 0.16 0.56 -0.75 4.76 4.59 2ri8B1 ASN 2249 HB2 -0.10 -0.09 0.27 -0.04 2.88 2.91 2ri8B1 ASN 2249 HB3 -0.09 -0.12 0.11 -0.04 2.79 2.66 2ri8B1 ASN 2249 HD21 -0.03 0.04 0.00 -0.04 7.03 7.00 2ri8B1 ASN 2249 HD22 -0.04 -0.04 0.04 -0.04 7.74 7.65 2ri8B1 ILE 2250 H -0.15 0.24 0.02 -0.55 8.25 7.81 2ri8B1 ILE 2250 HA -0.25 0.15 0.35 -0.75 4.18 3.68 2ri8B1 ILE 2250 HB -0.22 -0.04 -0.07 -0.04 1.89 1.52 2ri8B1 ILE 2250 HG12 -0.25 0.09 -0.18 -0.04 1.49 1.11 2ri8B1 ILE 2250 HG13 -0.18 -0.23 -0.25 -0.04 1.21 0.51 2ri8B1 ILE 2250 HG23 -0.46 0.13 0.01 -0.04 0.93 0.57 2ri8B1 ILE 2250 HD13 -0.36 0.06 -0.21 -0.04 0.88 0.34 2ri8B1 ASN 2251 H -0.12 -0.02 -0.31 -0.55 8.53 7.53 2ri8B1 ASN 2251 HA -0.09 0.18 0.81 -0.75 4.76 4.91 2ri8B1 ASN 2251 HB2 -0.06 -0.07 0.07 -0.04 2.88 2.79 2ri8B1 ASN 2251 HB3 -0.04 0.04 0.01 -0.04 2.79 2.76 2ri8B1 ASN 2251 HD21 -0.01 0.03 0.01 -0.04 7.03 7.02 2ri8B1 ASN 2251 HD22 -0.03 -0.03 0.03 -0.04 7.74 7.67 2ri8B1 ASP 2252 H -0.14 0.03 -0.21 -0.55 8.40 7.54 2ri8B1 ASP 2252 HA -0.06 0.27 0.92 -0.75 4.63 5.00 2ri8B1 ASP 2252 HB2 -0.08 -0.47 0.36 -0.04 2.71 2.49 2ri8B1 ASP 2252 HB3 -0.03 0.11 0.11 -0.04 2.70 2.85 2ri8B1 GLY 2253 H -0.15 -0.37 0.37 -0.55 8.43 7.74 2ri8B1 GLY 2253 HA2 -0.59 0.06 0.27 -0.51 4.01 3.24 2ri8B1 GLY 2253 HA3 -0.59 0.14 0.53 -0.51 4.01 3.58 2ri8B1 GLN 2254 H -0.06 -0.41 0.30 -0.55 8.47 7.76 2ri8B1 GLN 2254 HA 0.16 0.48 0.67 -0.75 4.36 4.91 2ri8B1 GLN 2254 HB2 0.00 -0.10 0.06 -0.04 2.15 2.07 2ri8B1 GLN 2254 HB3 0.05 0.11 0.15 -0.04 2.02 2.29 2ri8B1 GLN 2254 HG2 -0.00 -0.20 0.16 -0.04 2.40 2.31 2ri8B1 GLN 2254 HG3 0.00 0.01 0.06 -0.04 2.39 2.42 2ri8B1 GLN 2254 HE21 0.05 0.03 -0.07 -0.04 6.97 6.94 2ri8B1 GLN 2254 HE22 0.05 -0.04 -0.09 -0.04 7.69 7.57 2ri8B1 PHE 2255 H 0.36 0.43 0.42 -0.55 8.34 9.00 2ri8B1 PHE 2255 HA -0.08 0.15 0.96 -0.75 4.62 4.89 2ri8B1 PHE 2255 HB2 -0.04 0.02 0.23 -0.04 3.15 3.31 2ri8B1 PHE 2255 HB3 -0.05 -0.03 0.21 -0.04 3.06 3.14 2ri8B1 PHE 2255 HD2 -0.06 -0.07 0.12 -0.04 7.28 7.23 2ri8B1 PHE 2255 HE2 -0.12 0.17 -0.03 -0.04 7.38 7.37 2ri8B1 PHE 2255 HZ -0.22 0.01 -0.02 -0.04 7.32 7.05 2ri8B1 ALA 2256 H -0.07 0.39 0.22 -0.55 8.40 8.39 2ri8B1 ALA 2256 HA 0.00 0.15 0.56 -0.75 4.34 4.30 2ri8B1 ALA 2256 HB3 -0.05 -0.03 0.04 -0.04 1.41 1.34 2ri8B1 ASP 2257 H 0.08 0.17 -0.10 -0.55 8.40 8.00 2ri8B1 ASP 2257 HA 0.02 0.25 0.70 -0.75 4.63 4.84 2ri8B1 ASP 2257 HB2 0.01 -0.04 0.21 -0.04 2.71 2.85 2ri8B1 ASP 2257 HB3 0.00 0.09 -0.17 -0.04 2.70 2.58 2ri8B1 SER 2258 H 0.02 0.13 0.15 -0.55 8.46 8.21 2ri8B1 SER 2258 HA 0.04 0.30 0.86 -0.75 4.49 4.93 2ri8B1 SER 2258 HB2 -0.01 0.22 0.19 -0.04 3.95 4.31 2ri8B1 SER 2258 HB3 0.00 0.01 -0.12 -0.04 3.93 3.78 2ri8B1 ARG 2259 H 0.05 -0.09 0.06 -0.55 8.46 7.93 2ri8B1 ARG 2259 HA 0.05 0.29 0.84 -0.75 4.34 4.77 2ri8B1 ARG 2259 HB2 0.02 -0.03 0.14 -0.04 1.90 1.99 2ri8B1 ARG 2259 HB3 0.04 -0.17 0.19 -0.04 1.80 1.82 2ri8B1 ARG 2259 HG2 0.06 -0.01 -0.23 -0.04 1.67 1.45 2ri8B1 ARG 2259 HG3 0.03 0.13 0.02 -0.04 1.67 1.80 2ri8B1 ARG 2259 HD2 0.01 -0.07 -0.02 -0.04 3.22 3.10 2ri8B1 ARG 2259 HD3 0.02 -0.01 -0.07 -0.04 3.22 3.12 2ri8B1 VAL 2260 H 0.15 0.66 0.42 -0.55 8.24 8.92 2ri8B1 VAL 2260 HA 0.18 0.26 1.10 -0.75 4.13 4.92 2ri8B1 VAL 2260 HB 0.20 0.23 -0.14 -0.04 2.12 2.36 2ri8B1 VAL 2260 HG13 0.27 0.01 0.04 -0.04 0.97 1.25 2ri8B1 VAL 2260 HG23 0.25 -0.04 -0.21 -0.04 0.95 0.91 2ri8B1 SER 2261 H 0.24 0.36 0.22 -0.55 8.46 8.74 2ri8B1 SER 2261 HA 0.33 0.22 0.49 -0.75 4.49 4.77 2ri8B1 SER 2261 HB2 0.20 0.00 0.16 -0.04 3.95 4.26 2ri8B1 SER 2261 HB3 0.15 0.16 -0.22 -0.04 3.93 3.99 2ri8B1 TRP 2262 H 0.48 0.27 0.11 -0.55 7.97 8.28 2ri8B1 TRP 2262 HA 0.26 0.18 0.77 -0.75 4.62 5.08 2ri8B1 TRP 2262 HB2 0.11 0.05 0.08 -0.04 3.23 3.43 2ri8B1 TRP 2262 HB3 0.25 -0.05 0.22 -0.04 3.23 3.62 2ri8B1 TRP 2262 HD1 -0.03 -0.08 -0.23 -0.04 7.22 6.84 2ri8B1 TRP 2262 HE1 -0.31 0.08 -0.10 -0.04 10.20 9.83 2ri8B1 TRP 2262 HE3 -0.10 -0.08 0.04 -0.04 7.59 7.41 2ri8B1 TRP 2262 HZ2 -0.40 0.07 -0.17 -0.04 7.44 6.90 2ri8B1 TRP 2262 HZ3 -0.18 -0.03 -0.02 -0.04 7.13 6.86 2ri8B1 TRP 2262 HH2 -0.53 0.02 -0.08 -0.04 7.19 6.56 2ri8B1 ASN 2263 H 0.24 0.10 -0.20 -0.55 8.53 8.12 2ri8B1 ASN 2263 HA 0.17 0.07 0.59 -0.75 4.76 4.84 2ri8B1 ASN 2263 HB2 0.08 0.10 -0.01 -0.04 2.88 3.01 2ri8B1 ASN 2263 HB3 0.05 -0.10 0.14 -0.04 2.79 2.83 2ri8B1 ASN 2263 HD21 0.03 0.26 0.03 -0.04 7.03 7.32 2ri8B1 ASN 2263 HD22 0.04 0.00 -0.01 -0.04 7.74 7.73 2ri8B1 GLY 2264 H 0.06 0.12 0.11 -0.55 8.43 8.18 2ri8B1 GLY 2264 HA2 0.02 -0.02 0.36 -0.51 4.01 3.86 2ri8B1 GLY 2264 HA3 0.02 0.10 0.32 -0.51 4.01 3.94 2ri8B1 GLY 2265 H -0.07 0.10 0.10 -0.55 8.43 8.01 2ri8B1 GLY 2265 HA2 -0.12 -0.04 0.38 -0.51 4.01 3.72 2ri8B1 GLY 2265 HA3 -0.05 0.27 0.76 -0.51 4.01 4.48 2ri8B1 ASP 2266 H 0.01 0.35 -0.41 -0.55 8.40 7.81 2ri8B1 ASP 2266 HA -0.03 0.07 0.96 -0.75 4.63 4.87 2ri8B1 ASP 2266 HB2 0.13 0.01 -0.07 -0.04 2.71 2.74 2ri8B1 ASP 2266 HB3 0.19 0.21 0.06 -0.04 2.70 3.12 2ri8B1 ASP 2267 H 0.09 0.57 -0.04 -0.55 8.40 8.47 2ri8B1 ASP 2267 HA 0.18 0.11 0.34 -0.75 4.63 4.51 2ri8B1 ASP 2267 HB2 -0.33 0.06 -0.07 -0.04 2.71 2.32 2ri8B1 ASP 2267 HB3 0.15 0.22 -0.16 -0.04 2.70 2.87 2ri8B1 SER 2268 H -0.21 0.04 -0.07 -0.55 8.46 7.67 2ri8B1 SER 2268 HA -0.36 0.06 0.36 -0.75 4.49 3.80 2ri8B1 SER 2268 HB2 -0.39 0.05 0.08 -0.04 3.95 3.65 2ri8B1 SER 2268 HB3 -0.24 0.02 0.06 -0.04 3.93 3.73 2ri8B1 PHE 2269 H -0.04 0.40 -0.43 -0.55 8.34 7.71 2ri8B1 PHE 2269 HA -0.18 0.20 0.39 -0.75 4.62 4.28 2ri8B1 PHE 2269 HB2 -0.25 -0.04 -0.12 -0.04 3.15 2.70 2ri8B1 PHE 2269 HB3 -0.42 0.15 0.07 -0.04 3.06 2.82 2ri8B1 PHE 2269 HD2 -0.87 -0.03 0.00 -0.04 7.28 6.34 2ri8B1 PHE 2269 HE2 -0.35 0.05 -0.04 -0.04 7.38 7.00 2ri8B1 PHE 2269 HZ -0.13 0.14 -0.12 -0.04 7.32 7.16 2ri8B1 TYR 2270 H -0.20 0.30 0.01 -0.55 8.29 7.85 2ri8B1 TYR 2270 HA -0.59 0.14 0.46 -0.75 4.56 3.81 2ri8B1 TYR 2270 HB2 -0.68 0.04 0.08 -0.04 3.06 2.47 2ri8B1 TYR 2270 HB3 -0.59 0.00 0.03 -0.04 2.98 2.38 2ri8B1 TYR 2270 HD2 -0.40 0.01 0.02 -0.04 7.15 6.74 2ri8B1 TYR 2270 HE2 -0.01 0.24 0.07 -0.04 6.85 7.11 2ri8B1 GLU 2271 H 0.00 0.14 -0.33 -0.55 8.60 7.87 2ri8B1 GLU 2271 HA 0.31 0.04 0.33 -0.75 4.29 4.22 2ri8B1 GLU 2271 HB2 -0.04 -0.03 0.00 -0.04 2.09 1.98 2ri8B1 GLU 2271 HB3 -0.00 0.11 0.10 -0.04 1.99 2.16 2ri8B1 GLU 2271 HG2 0.29 0.04 -0.21 -0.04 2.34 2.42 2ri8B1 GLU 2271 HG3 0.36 0.00 -0.06 -0.04 2.34 2.60 2ri8B1 TYR 2272 H 0.12 0.52 -0.18 -0.55 8.29 8.20 2ri8B1 TYR 2272 HA 0.01 -0.01 0.32 -0.75 4.56 4.13 2ri8B1 TYR 2272 HB2 -0.01 0.31 0.21 -0.04 3.06 3.53 2ri8B1 TYR 2272 HB3 0.03 -0.06 0.02 -0.04 2.98 2.92 2ri8B1 TYR 2272 HD2 0.06 -0.06 -0.15 -0.04 7.15 6.95 2ri8B1 TYR 2272 HE2 0.10 -0.02 -0.22 -0.04 6.85 6.67 2ri8B1 LEU 2273 H -0.02 0.30 -0.54 -0.55 8.37 7.58 2ri8B1 LEU 2273 HA 0.14 0.01 0.32 -0.75 4.35 4.07 2ri8B1 LEU 2273 HB2 0.07 0.26 0.19 -0.04 1.64 2.12 2ri8B1 LEU 2273 HB3 0.25 -0.03 -0.01 -0.04 1.64 1.82 2ri8B1 LEU 2273 HG 0.03 0.09 0.04 -0.04 1.64 1.76 2ri8B1 LEU 2273 HD13 -0.55 0.04 -0.01 -0.04 0.93 0.36 2ri8B1 LEU 2273 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.73 2ri8B1 ILE 2274 H -0.22 0.30 -0.06 -0.55 8.25 7.72 2ri8B1 ILE 2274 HA -0.25 0.07 0.42 -0.75 4.18 3.66 2ri8B1 ILE 2274 HB -2.17 -0.00 0.06 -0.04 1.89 -0.25 2ri8B1 ILE 2274 HG12 -0.91 -0.05 -0.10 -0.04 1.49 0.39 2ri8B1 ILE 2274 HG13 -0.36 0.02 -0.17 -0.04 1.21 0.66 2ri8B1 ILE 2274 HG23 -0.49 0.05 0.02 -0.04 0.93 0.47 2ri8B1 ILE 2274 HD13 -0.64 0.01 0.01 -0.04 0.88 0.22 2ri8B1 LYS 2275 H -0.06 0.35 -0.21 -0.55 8.42 7.95 2ri8B1 LYS 2275 HA -0.01 0.08 0.35 -0.75 4.32 3.98 2ri8B1 LYS 2275 HB2 -0.02 -0.00 0.01 -0.04 1.87 1.81 2ri8B1 LYS 2275 HB3 -0.06 -0.00 -0.11 -0.04 1.79 1.57 2ri8B1 LYS 2275 HG2 0.09 -0.00 -0.03 -0.04 1.46 1.47 2ri8B1 LYS 2275 HG3 0.04 0.01 -0.02 -0.04 1.46 1.45 2ri8B1 LYS 2275 HD2 0.23 -0.13 -0.20 -0.04 1.69 1.56 2ri8B1 LYS 2275 HD3 0.12 0.21 -0.07 -0.04 1.68 1.90 2ri8B1 LYS 2275 HE2 0.31 -0.03 -0.05 -0.04 2.99 3.17 2ri8B1 LYS 2275 HE3 0.21 -0.07 -0.10 -0.04 2.99 2.99 2ri8B1 MET 2276 H -0.04 0.64 -0.31 -0.55 8.47 8.22 2ri8B1 MET 2276 HA -0.24 -0.01 0.41 -0.75 4.52 3.93 2ri8B1 MET 2276 HB2 -0.08 0.23 0.12 -0.04 2.15 2.38 2ri8B1 MET 2276 HB3 -0.90 -0.05 -0.08 -0.04 2.03 0.96 2ri8B1 MET 2276 HG2 -0.10 0.16 0.00 -0.04 2.63 2.66 2ri8B1 MET 2276 HG3 -0.22 -0.04 -0.06 -0.04 2.56 2.19 2ri8B1 MET 2276 HE3 -1.18 0.01 -0.13 -0.04 2.10 0.77 2ri8B1 TYR 2277 H 0.13 0.31 -0.31 -0.55 8.29 7.88 2ri8B1 TYR 2277 HA 0.12 0.00 0.14 -0.75 4.56 4.07 2ri8B1 TYR 2277 HB2 0.05 -0.04 0.10 -0.04 3.06 3.13 2ri8B1 TYR 2277 HB3 -0.05 0.27 0.09 -0.04 2.98 3.26 2ri8B1 TYR 2277 HD2 0.03 0.05 -0.18 -0.04 7.15 7.01 2ri8B1 TYR 2277 HE2 0.03 0.04 -0.04 -0.04 6.85 6.84 2ri8B1 VAL 2278 H 0.06 0.23 -0.46 -0.55 8.24 7.52 2ri8B1 VAL 2278 HA -0.09 0.07 0.38 -0.75 4.13 3.75 2ri8B1 VAL 2278 HB 0.05 0.09 0.05 -0.04 2.12 2.26 2ri8B1 VAL 2278 HG13 0.05 -0.00 -0.18 -0.04 0.97 0.80 2ri8B1 VAL 2278 HG23 0.04 0.02 -0.05 -0.04 0.95 0.93 2ri8B1 TYR 2279 H 0.09 0.29 -0.35 -0.55 8.29 7.77 2ri8B1 TYR 2279 HA -0.05 -0.00 0.32 -0.75 4.56 4.07 2ri8B1 TYR 2279 HB2 -0.12 -0.02 0.05 -0.04 3.06 2.93 2ri8B1 TYR 2279 HB3 -0.13 0.14 0.14 -0.04 2.98 3.08 2ri8B1 TYR 2279 HD2 0.03 0.02 -0.13 -0.04 7.15 7.03 2ri8B1 TYR 2279 HE2 0.02 0.18 -0.08 -0.04 6.85 6.93 2ri8B1 ASP 2280 H 0.12 0.46 -0.36 -0.55 8.40 8.08 2ri8B1 ASP 2280 HA -0.17 0.20 0.43 -0.75 4.63 4.33 2ri8B1 ASP 2280 HB2 -0.25 0.13 -0.12 -0.04 2.71 2.43 2ri8B1 ASP 2280 HB3 0.22 -0.07 0.02 -0.04 2.70 2.83 2ri8B1 PRO 2281 HA -0.41 0.01 0.35 -0.51 4.44 3.89 2ri8B1 PRO 2281 HB2 -0.24 -0.03 -0.03 -0.04 2.28 1.94 2ri8B1 PRO 2281 HB3 -0.94 0.09 0.09 -0.04 2.02 1.22 2ri8B1 PRO 2281 HG2 -0.17 -0.10 0.05 -0.04 2.03 1.77 2ri8B1 PRO 2281 HG3 -0.23 0.10 0.05 -0.04 2.03 1.91 2ri8B1 PRO 2281 HD2 -0.19 0.10 0.10 -0.04 3.68 3.64 2ri8B1 PRO 2281 HD3 -0.30 0.37 0.08 -0.04 3.65 3.76 2ri8B1 LYS 2282 H -0.14 0.12 -0.35 -0.55 8.42 7.50 2ri8B1 LYS 2282 HA -0.06 0.08 0.40 -0.75 4.32 3.98 2ri8B1 LYS 2282 HB2 -0.09 0.05 0.06 -0.04 1.87 1.84 2ri8B1 LYS 2282 HB3 -0.14 -0.05 0.08 -0.04 1.79 1.64 2ri8B1 LYS 2282 HG2 -0.14 -0.00 -0.18 -0.04 1.46 1.10 2ri8B1 LYS 2282 HG3 -0.08 0.00 -0.07 -0.04 1.46 1.27 2ri8B1 LYS 2282 HD2 -0.08 -0.00 -0.04 -0.04 1.69 1.53 2ri8B1 LYS 2282 HD3 -0.07 0.02 -0.01 -0.04 1.68 1.57 2ri8B1 LYS 2282 HE2 -0.11 -0.01 -0.00 -0.04 2.99 2.82 2ri8B1 LYS 2282 HE3 -0.10 -0.01 -0.02 -0.04 2.99 2.81 2ri8B1 ARG 2283 H -0.29 0.10 -0.07 -0.55 8.46 7.65 2ri8B1 ARG 2283 HA -0.34 0.06 0.34 -0.75 4.34 3.64 2ri8B1 ARG 2283 HB2 -1.21 0.07 0.04 -0.04 1.90 0.76 2ri8B1 ARG 2283 HB3 -1.22 -0.02 0.03 -0.04 1.80 0.54 2ri8B1 ARG 2283 HG2 -0.27 0.00 0.01 -0.04 1.67 1.38 2ri8B1 ARG 2283 HG3 -0.26 -0.04 0.03 -0.04 1.67 1.36 2ri8B1 ARG 2283 HD2 -0.25 -0.01 -0.02 -0.04 3.22 2.89 2ri8B1 ARG 2283 HD3 -0.12 -0.00 -0.01 -0.04 3.22 3.05 2ri8B1 PHE 2284 H -0.14 0.41 -0.52 -0.55 8.34 7.54 2ri8B1 PHE 2284 HA -0.02 0.20 1.16 -0.75 4.62 5.22 2ri8B1 PHE 2284 HB2 -0.05 0.10 -0.21 -0.04 3.15 2.96 2ri8B1 PHE 2284 HB3 -0.41 -0.13 0.03 -0.04 3.06 2.51 2ri8B1 PHE 2284 HD2 -0.46 0.11 -0.11 -0.04 7.28 6.77 2ri8B1 PHE 2284 HE2 0.01 0.00 -0.10 -0.04 7.38 7.25 2ri8B1 PHE 2284 HZ 0.02 -0.01 -0.08 -0.04 7.32 7.20 2ri8B1 GLU 2285 H 0.12 0.40 -0.05 -0.55 8.60 8.53 2ri8B1 GLU 2285 HA 0.35 0.08 0.48 -0.75 4.29 4.45 2ri8B1 GLU 2285 HB2 0.17 0.24 0.18 -0.04 2.09 2.64 2ri8B1 GLU 2285 HB3 0.12 -0.02 0.07 -0.04 1.99 2.11 2ri8B1 GLU 2285 HG2 0.09 -0.10 0.02 -0.04 2.34 2.31 2ri8B1 GLU 2285 HG3 0.20 0.03 0.08 -0.04 2.34 2.60 2ri8B1 THR 2286 H 0.20 0.17 -0.18 -0.55 8.28 7.93 2ri8B1 THR 2286 HA 0.14 0.08 0.39 -0.75 4.39 4.25 2ri8B1 THR 2286 HB 0.31 0.02 0.04 -0.04 4.32 4.65 2ri8B1 THR 2286 HG23 0.12 0.02 -0.15 -0.04 1.22 1.17 2ri8B1 TYR 2287 H 0.56 0.19 -0.35 -0.55 8.29 8.14 2ri8B1 TYR 2287 HA 0.11 0.06 0.44 -0.75 4.56 4.42 2ri8B1 TYR 2287 HB2 0.21 0.19 0.14 -0.04 3.06 3.55 2ri8B1 TYR 2287 HB3 0.08 0.11 0.08 -0.04 2.98 3.21 2ri8B1 TYR 2287 HD2 0.10 -0.06 -0.03 -0.04 7.15 7.12 2ri8B1 TYR 2287 HE2 0.11 -0.02 -0.05 -0.04 6.85 6.84 2ri8B1 LYS 2288 H 0.21 0.37 -0.14 -0.55 8.42 8.30 2ri8B1 LYS 2288 HA 0.04 -0.02 0.31 -0.75 4.32 3.89 2ri8B1 LYS 2288 HB2 -0.86 0.01 0.11 -0.04 1.87 1.08 2ri8B1 LYS 2288 HB3 -0.27 0.17 0.19 -0.04 1.79 1.84 2ri8B1 LYS 2288 HG2 -0.07 -0.08 -0.30 -0.04 1.46 0.97 2ri8B1 LYS 2288 HG3 -0.53 -0.02 -0.01 -0.04 1.46 0.86 2ri8B1 LYS 2288 HD2 -0.20 -0.01 -0.05 -0.04 1.69 1.39 2ri8B1 LYS 2288 HD3 -0.77 0.03 -0.01 -0.04 1.68 0.89 2ri8B1 LYS 2288 HE2 -0.06 0.18 0.04 -0.04 2.99 3.11 2ri8B1 LYS 2288 HE3 -0.01 -0.07 -0.20 -0.04 2.99 2.68 2ri8B1 ASP 2289 H 0.10 0.53 -0.21 -0.55 8.40 8.27 2ri8B1 ASP 2289 HA 0.09 0.01 0.46 -0.75 4.63 4.43 2ri8B1 ASP 2289 HB2 0.09 0.12 0.18 -0.04 2.71 3.06 2ri8B1 ASP 2289 HB3 0.07 -0.03 0.00 -0.04 2.70 2.71 2ri8B1 ARG 2290 H 0.12 0.53 -0.10 -0.55 8.46 8.45 2ri8B1 ARG 2290 HA 0.07 0.02 0.45 -0.75 4.34 4.12 2ri8B1 ARG 2290 HB2 0.06 0.06 0.16 -0.04 1.90 2.14 2ri8B1 ARG 2290 HB3 0.08 -0.00 0.12 -0.04 1.80 1.95 2ri8B1 ARG 2290 HG2 0.07 0.20 0.16 -0.04 1.67 2.06 2ri8B1 ARG 2290 HG3 0.02 -0.05 0.09 -0.04 1.67 1.68 2ri8B1 ARG 2290 HD2 0.05 -0.12 0.04 -0.04 3.22 3.15 2ri8B1 ARG 2290 HD3 0.04 0.02 0.07 -0.04 3.22 3.31 2ri8B1 TRP 2291 H 0.25 0.44 -0.39 -0.55 7.97 7.73 2ri8B1 TRP 2291 HA -0.03 0.02 0.47 -0.75 4.62 4.32 2ri8B1 TRP 2291 HB2 -0.05 0.00 0.01 -0.04 3.23 3.16 2ri8B1 TRP 2291 HB3 -0.06 0.20 0.12 -0.04 3.23 3.45 2ri8B1 TRP 2291 HD1 -0.11 0.15 0.12 -0.04 7.22 7.34 2ri8B1 TRP 2291 HE1 -0.12 -0.04 -0.08 -0.04 10.20 9.91 2ri8B1 TRP 2291 HE3 -0.11 0.15 -0.19 -0.04 7.59 7.40 2ri8B1 TRP 2291 HZ2 -0.51 -0.05 -0.26 -0.04 7.44 6.58 2ri8B1 TRP 2291 HZ3 -0.23 0.05 -0.09 -0.04 7.13 6.82 2ri8B1 TRP 2291 HH2 -0.49 0.01 -0.02 -0.04 7.19 6.65 2ri8B1 VAL 2292 H 0.23 0.61 -0.06 -0.55 8.24 8.47 2ri8B1 VAL 2292 HA -0.20 -0.03 0.43 -0.75 4.13 3.57 2ri8B1 VAL 2292 HB 0.14 0.16 0.14 -0.04 2.12 2.51 2ri8B1 VAL 2292 HG13 0.27 -0.02 -0.04 -0.04 0.97 1.14 2ri8B1 VAL 2292 HG23 0.38 0.08 0.04 -0.04 0.95 1.41 2ri8B1 LEU 2293 H -0.00 0.37 -0.40 -0.55 8.37 7.79 2ri8B1 LEU 2293 HA 0.01 0.04 0.46 -0.75 4.35 4.11 2ri8B1 LEU 2293 HB2 0.03 0.17 0.04 -0.04 1.64 1.83 2ri8B1 LEU 2293 HB3 0.03 -0.01 -0.35 -0.04 1.64 1.28 2ri8B1 LEU 2293 HG 0.04 -0.05 -0.03 -0.04 1.64 1.56 2ri8B1 LEU 2293 HD13 0.06 0.18 -0.01 -0.04 0.93 1.11 2ri8B1 LEU 2293 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 2ri8B1 ALA 2294 H -0.14 0.37 -0.11 -0.55 8.40 7.98 2ri8B1 ALA 2294 HA -0.00 0.10 0.44 -0.75 4.34 4.13 2ri8B1 ALA 2294 HB3 -0.13 0.05 0.07 -0.04 1.41 1.36 2ri8B1 ALA 2295 H -0.75 0.69 -0.03 -0.55 8.40 7.76 2ri8B1 ALA 2295 HA -0.50 -0.04 0.34 -0.75 4.34 3.39 2ri8B1 ALA 2295 HB3 -1.69 0.03 0.07 -0.04 1.41 -0.23 2ri8B1 GLU 2296 H -0.14 0.44 -0.40 -0.55 8.60 7.95 2ri8B1 GLU 2296 HA 0.03 0.00 0.48 -0.75 4.29 4.05 2ri8B1 GLU 2296 HB2 0.03 0.13 0.17 -0.04 2.09 2.38 2ri8B1 GLU 2296 HB3 0.03 -0.05 0.00 -0.04 1.99 1.94 2ri8B1 GLU 2296 HG2 0.20 -0.09 -0.00 -0.04 2.34 2.41 2ri8B1 GLU 2296 HG3 0.31 0.13 0.09 -0.04 2.34 2.82 2ri8B1 SER 2297 H -0.02 0.70 -0.04 -0.55 8.46 8.56 2ri8B1 SER 2297 HA 0.06 0.02 0.46 -0.75 4.49 4.28 2ri8B1 SER 2297 HB2 0.06 0.02 0.11 -0.04 3.95 4.10 2ri8B1 SER 2297 HB3 0.07 -0.14 -0.02 -0.04 3.93 3.80 2ri8B1 THR 2298 H -0.02 0.74 -0.28 -0.55 8.28 8.17 2ri8B1 THR 2298 HA -0.03 -0.07 0.41 -0.75 4.39 3.95 2ri8B1 THR 2298 HB 0.06 0.18 0.15 -0.04 4.32 4.67 2ri8B1 THR 2298 HG23 -0.28 -0.04 -0.15 -0.04 1.22 0.71 2ri8B1 ILE 2299 H -0.27 0.52 -0.05 -0.55 8.25 7.90 2ri8B1 ILE 2299 HA -0.80 -0.03 0.35 -0.75 4.18 2.94 2ri8B1 ILE 2299 HB -0.33 0.10 0.12 -0.04 1.89 1.75 2ri8B1 ILE 2299 HG12 -2.73 -0.07 0.04 -0.04 1.49 -1.32 2ri8B1 ILE 2299 HG13 -0.82 0.12 0.13 -0.04 1.21 0.60 2ri8B1 ILE 2299 HG23 -0.44 -0.01 -0.10 -0.04 0.93 0.34 2ri8B1 ILE 2299 HD13 -0.11 -0.03 -0.05 -0.04 0.88 0.65 2ri8B1 LYS 2300 H -0.22 0.38 -0.41 -0.55 8.42 7.62 2ri8B1 LYS 2300 HA -0.28 0.05 0.48 -0.75 4.32 3.81 2ri8B1 LYS 2300 HB2 -0.21 -0.03 0.08 -0.04 1.87 1.67 2ri8B1 LYS 2300 HB3 -0.29 0.05 0.14 -0.04 1.79 1.65 2ri8B1 LYS 2300 HG2 -0.30 -0.05 -0.01 -0.04 1.46 1.05 2ri8B1 LYS 2300 HG3 -1.28 0.02 -0.16 -0.04 1.46 0.00 2ri8B1 LYS 2300 HD2 -0.27 0.03 0.11 -0.04 1.69 1.52 2ri8B1 LYS 2300 HD3 -0.17 -0.04 0.02 -0.04 1.68 1.45 2ri8B1 LYS 2300 HE2 -0.09 -0.02 0.01 -0.04 2.99 2.84 2ri8B1 LYS 2300 HE3 -0.19 0.01 0.02 -0.04 2.99 2.79 2ri8B1 HIS 2301 H -0.19 0.37 -0.07 -0.55 8.41 7.98 2ri8B1 HIS 2301 HA -0.12 0.26 1.14 -0.75 4.63 5.15 2ri8B1 HIS 2301 HB2 -0.83 -0.00 0.03 -0.04 3.26 2.42 2ri8B1 HIS 2301 HB3 -0.51 -0.07 -0.02 -0.04 3.20 2.55 2ri8B1 HIS 2301 HD2 -0.49 0.18 0.08 -0.04 6.97 6.69 2ri8B1 HIS 2301 HE1 0.08 -0.04 -0.02 -0.04 7.75 7.73 2ri8B1 LEU 2302 H -0.04 0.26 0.25 -0.55 8.37 8.30 2ri8B1 LEU 2302 HA 0.26 0.09 0.54 -0.75 4.35 4.49 2ri8B1 LEU 2302 HB2 -0.03 0.01 0.09 -0.04 1.64 1.66 2ri8B1 LEU 2302 HB3 0.08 -0.08 0.14 -0.04 1.64 1.73 2ri8B1 LEU 2302 HG 0.01 0.03 0.04 -0.04 1.64 1.68 2ri8B1 LEU 2302 HD13 0.18 -0.01 -0.04 -0.04 0.93 1.02 2ri8B1 LEU 2302 HD23 0.12 0.02 -0.23 -0.04 0.89 0.76 2ri8B1 LYS 2303 H -0.04 0.30 -0.12 -0.55 8.42 8.00 2ri8B1 LYS 2303 HA 0.01 -0.06 0.31 -0.75 4.32 3.82 2ri8B1 LYS 2303 HB2 -0.06 0.01 0.12 -0.04 1.87 1.90 2ri8B1 LYS 2303 HB3 -0.05 0.08 -0.06 -0.04 1.79 1.72 2ri8B1 LYS 2303 HG2 -0.18 0.01 -0.16 -0.04 1.46 1.08 2ri8B1 LYS 2303 HG3 0.08 -0.09 -0.01 -0.04 1.46 1.40 2ri8B1 LYS 2303 HD2 0.00 -0.00 0.01 -0.04 1.69 1.65 2ri8B1 LYS 2303 HD3 0.03 0.04 -0.06 -0.04 1.68 1.65 2ri8B1 LYS 2303 HE2 0.11 0.02 -0.11 -0.04 2.99 2.97 2ri8B1 LYS 2303 HE3 0.12 -0.05 -0.06 -0.04 2.99 2.95 2ri8B1 SER 2304 H -0.21 0.17 0.24 -0.55 8.46 8.13 2ri8B1 SER 2304 HA 0.04 0.05 0.56 -0.75 4.49 4.38 2ri8B1 SER 2304 HB2 0.20 0.18 -0.20 -0.04 3.95 4.10 2ri8B1 SER 2304 HB3 0.14 0.04 -0.13 -0.04 3.93 3.93 2ri8B1 HIS 2305 H 0.18 0.19 0.17 -0.55 8.41 8.40 2ri8B1 HIS 2305 HA -0.22 0.35 1.06 -0.75 4.63 5.07 2ri8B1 HIS 2305 HB2 -0.03 -0.13 0.04 -0.04 3.26 3.10 2ri8B1 HIS 2305 HB3 -0.09 0.18 0.20 -0.04 3.20 3.44 2ri8B1 HIS 2305 HD2 -0.11 0.22 -0.08 -0.04 6.97 6.96 2ri8B1 HIS 2305 HE1 -0.03 -0.01 -0.11 -0.04 7.75 7.55 2ri8B1 PRO 2306 HA 0.31 0.08 0.74 -0.51 4.44 5.05 2ri8B1 PRO 2306 HB2 0.16 -0.05 0.04 -0.04 2.28 2.38 2ri8B1 PRO 2306 HB3 0.49 0.00 0.11 -0.04 2.02 2.58 2ri8B1 PRO 2306 HG2 -0.09 0.13 0.01 -0.04 2.03 2.03 2ri8B1 PRO 2306 HG3 -0.28 -0.06 -0.15 -0.04 2.03 1.50 2ri8B1 PRO 2306 HD2 -0.18 0.31 0.19 -0.04 3.68 3.97 2ri8B1 PRO 2306 HD3 -0.39 0.14 0.07 -0.04 3.65 3.43 2ri8B1 LYS 2307 H 0.30 0.14 0.14 -0.55 8.42 8.43 2ri8B1 LYS 2307 HA 0.12 0.08 0.28 -0.75 4.32 4.04 2ri8B1 LYS 2307 HB2 0.33 -0.07 0.10 -0.04 1.87 2.19 2ri8B1 LYS 2307 HB3 0.15 0.03 0.00 -0.04 1.79 1.93 2ri8B1 LYS 2307 HG2 0.14 0.04 0.09 -0.04 1.46 1.69 2ri8B1 LYS 2307 HG3 0.20 0.00 0.15 -0.04 1.46 1.78 2ri8B1 LYS 2307 HD2 0.11 -0.02 0.05 -0.04 1.69 1.79 2ri8B1 LYS 2307 HD3 0.10 0.02 0.03 -0.04 1.68 1.78 2ri8B1 LYS 2307 HE2 0.09 -0.05 0.08 -0.04 2.99 3.07 2ri8B1 LYS 2307 HE3 0.06 -0.01 0.03 -0.04 2.99 3.03 2ri8B1 SER 2308 H 0.30 0.02 -0.19 -0.55 8.46 8.05 2ri8B1 SER 2308 HA -0.02 0.02 0.41 -0.75 4.49 4.14 2ri8B1 SER 2308 HB2 -0.37 0.27 0.07 -0.04 3.95 3.88 2ri8B1 SER 2308 HB3 -0.64 -0.16 -0.04 -0.04 3.93 3.05 2ri8B1 ARG 2309 H -0.04 0.07 -0.40 -0.55 8.46 7.53 2ri8B1 ARG 2309 HA -0.08 0.17 0.92 -0.75 4.34 4.59 2ri8B1 ARG 2309 HB2 -0.12 -0.02 0.19 -0.04 1.90 1.91 2ri8B1 ARG 2309 HB3 -0.12 -0.08 0.07 -0.04 1.80 1.64 2ri8B1 ARG 2309 HG2 -0.20 -0.09 -0.61 -0.04 1.67 0.72 2ri8B1 ARG 2309 HG3 -0.18 0.07 -0.30 -0.04 1.67 1.22 2ri8B1 ARG 2309 HD2 -0.11 -0.08 0.01 -0.04 3.22 3.00 2ri8B1 ARG 2309 HD3 -0.15 0.29 -0.02 -0.04 3.22 3.31 2ri8B1 PRO 2310 HA 0.00 0.09 0.40 -0.51 4.44 4.42 2ri8B1 PRO 2310 HB2 -0.07 -0.04 -0.04 -0.04 2.28 2.09 2ri8B1 PRO 2310 HB3 -0.09 -0.03 0.05 -0.04 2.02 1.90 2ri8B1 PRO 2310 HG2 -0.03 -0.05 0.03 -0.04 2.03 1.95 2ri8B1 PRO 2310 HG3 -0.00 0.12 0.00 -0.04 2.03 2.11 2ri8B1 PRO 2310 HD2 -0.04 -0.00 0.10 -0.04 3.68 3.69 2ri8B1 PRO 2310 HD3 -0.03 0.32 -0.56 -0.04 3.65 3.34 2ri8B1 ASP 2311 H -0.06 0.10 -0.45 -0.55 8.40 7.44 2ri8B1 ASP 2311 HA -0.03 0.08 0.48 -0.75 4.63 4.41 2ri8B1 ASP 2311 HB2 -0.04 -0.04 0.13 -0.04 2.71 2.72 2ri8B1 ASP 2311 HB3 -0.04 -0.03 0.04 -0.04 2.70 2.63 2ri8B1 LEU 2312 H -0.08 0.41 -0.61 -0.55 8.37 7.54 2ri8B1 LEU 2312 HA -0.21 0.08 0.87 -0.75 4.35 4.34 2ri8B1 LEU 2312 HB2 -0.31 0.21 0.12 -0.04 1.64 1.61 2ri8B1 LEU 2312 HB3 -0.59 -0.07 -0.01 -0.04 1.64 0.92 2ri8B1 LEU 2312 HG -0.15 -0.09 -0.23 -0.04 1.64 1.13 2ri8B1 LEU 2312 HD13 -0.17 0.02 0.03 -0.04 0.93 0.77 2ri8B1 LEU 2312 HD23 -0.17 0.00 -0.07 -0.04 0.89 0.60 2ri8B1 THR 2313 H -0.41 0.17 0.18 -0.55 8.28 7.67 2ri8B1 THR 2313 HA -0.55 0.43 1.16 -0.75 4.39 4.67 2ri8B1 THR 2313 HB -0.37 -0.07 -0.11 -0.04 4.32 3.73 2ri8B1 THR 2313 HG23 -0.44 0.00 -0.08 -0.04 1.22 0.66 2ri8B1 PHE 2314 H -0.39 0.84 0.34 -0.55 8.34 8.58 2ri8B1 PHE 2314 HA -0.30 0.05 0.76 -0.75 4.62 4.38 2ri8B1 PHE 2314 HB2 -1.23 0.05 -0.15 -0.04 3.15 1.78 2ri8B1 PHE 2314 HB3 -0.89 -0.00 -0.12 -0.04 3.06 2.01 2ri8B1 PHE 2314 HD2 -0.71 0.02 -0.09 -0.04 7.28 6.45 2ri8B1 PHE 2314 HE2 -0.09 0.03 -0.30 -0.04 7.38 6.98 2ri8B1 PHE 2314 HZ -0.51 0.02 -0.15 -0.04 7.32 6.64 2ri8B1 LEU 2315 H -0.03 0.03 0.08 -0.55 8.37 7.90 2ri8B1 LEU 2315 HA 0.00 0.28 0.66 -0.75 4.35 4.54 2ri8B1 LEU 2315 HB2 -0.06 -0.14 0.04 -0.04 1.64 1.44 2ri8B1 LEU 2315 HB3 -0.10 0.08 0.01 -0.04 1.64 1.59 2ri8B1 LEU 2315 HG -0.29 -0.05 -0.08 -0.04 1.64 1.18 2ri8B1 LEU 2315 HD13 -0.87 -0.02 -0.04 -0.04 0.93 -0.04 2ri8B1 LEU 2315 HD23 -0.14 0.03 -0.23 -0.04 0.89 0.51 2ri8B1 SER 2316 H 0.19 0.39 0.19 -0.55 8.46 8.68 2ri8B1 SER 2316 HA 0.38 0.17 0.92 -0.75 4.49 5.21 2ri8B1 SER 2316 HB2 0.42 0.10 0.02 -0.04 3.95 4.45 2ri8B1 SER 2316 HB3 0.35 -0.04 0.02 -0.04 3.93 4.22 2ri8B1 SER 2317 H 0.16 0.43 0.38 -0.55 8.46 8.88 2ri8B1 SER 2317 HA 0.18 0.22 1.11 -0.75 4.49 5.24 2ri8B1 SER 2317 HB2 0.05 -0.03 0.21 -0.04 3.95 4.13 2ri8B1 SER 2317 HB3 0.07 0.03 0.10 -0.04 3.93 4.10 2ri8B1 TYR 2318 H 0.17 0.69 0.43 -0.55 8.29 9.02 2ri8B1 TYR 2318 HA -0.21 0.32 1.09 -0.75 4.56 5.02 2ri8B1 TYR 2318 HB2 -0.17 0.06 -0.19 -0.04 3.06 2.72 2ri8B1 TYR 2318 HB3 0.05 -0.03 0.08 -0.04 2.98 3.05 2ri8B1 TYR 2318 HD2 -0.87 0.06 -0.20 -0.04 7.15 6.10 2ri8B1 TYR 2318 HE2 -0.07 0.04 -0.11 -0.04 6.85 6.67 2ri8B1 SER 2319 H -0.73 0.56 0.19 -0.55 8.46 7.92 2ri8B1 SER 2319 HA -0.13 0.10 0.67 -0.75 4.49 4.37 2ri8B1 SER 2319 HB2 -0.07 0.01 -0.16 -0.04 3.95 3.69 2ri8B1 SER 2319 HB3 -0.13 0.05 0.03 -0.04 3.93 3.83 2ri8B1 ASN 2320 H -0.13 0.20 0.09 -0.55 8.53 8.14 2ri8B1 ASN 2320 HA -0.08 0.05 0.40 -0.75 4.76 4.37 2ri8B1 ASN 2320 HB2 -0.09 0.05 -0.00 -0.04 2.88 2.80 2ri8B1 ASN 2320 HB3 -0.06 0.05 0.12 -0.04 2.79 2.86 2ri8B1 ASN 2320 HD21 -0.03 -0.02 -0.01 -0.04 7.03 6.93 2ri8B1 ASN 2320 HD22 -0.05 0.02 -0.08 -0.04 7.74 7.60 2ri8B1 ARG 2321 H -0.24 0.09 -0.05 -0.55 8.46 7.71 2ri8B1 ARG 2321 HA 0.06 0.02 0.29 -0.75 4.34 3.95 2ri8B1 ARG 2321 HB2 -0.03 0.23 -0.16 -0.04 1.90 1.89 2ri8B1 ARG 2321 HB3 0.04 -0.01 0.21 -0.04 1.80 2.00 2ri8B1 ARG 2321 HG2 0.04 0.01 -0.02 -0.04 1.67 1.66 2ri8B1 ARG 2321 HG3 0.10 0.03 0.04 -0.04 1.67 1.80 2ri8B1 ARG 2321 HD2 0.03 -0.13 -0.06 -0.04 3.22 3.02 2ri8B1 ARG 2321 HD3 -0.00 0.02 -0.21 -0.04 3.22 2.99 2ri8B1 ASN 2322 H -0.53 0.38 -0.46 -0.55 8.53 7.37 2ri8B1 ASN 2322 HA 0.04 0.19 1.08 -0.75 4.76 5.31 2ri8B1 ASN 2322 HB2 -0.10 0.15 -0.03 -0.04 2.88 2.85 2ri8B1 ASN 2322 HB3 -0.09 -0.10 -0.07 -0.04 2.79 2.50 2ri8B1 ASN 2322 HD21 0.01 -0.03 0.00 -0.04 7.03 6.97 2ri8B1 ASN 2322 HD22 -0.01 -0.05 -0.11 -0.04 7.74 7.53 2ri8B1 TYR 2323 H 0.30 0.19 0.15 -0.55 8.29 8.38 2ri8B1 TYR 2323 HA 0.09 0.37 1.01 -0.75 4.56 5.28 2ri8B1 TYR 2323 HB2 0.11 -0.05 0.16 -0.04 3.06 3.24 2ri8B1 TYR 2323 HB3 0.15 0.03 -0.05 -0.04 2.98 3.06 2ri8B1 TYR 2323 HD2 0.20 -0.04 -0.07 -0.04 7.15 7.20 2ri8B1 TYR 2323 HE2 0.27 0.16 -0.11 -0.04 6.85 7.12 2ri8B1 ASP 2324 H 0.06 0.47 0.24 -0.55 8.40 8.62 2ri8B1 ASP 2324 HA -0.05 0.08 0.66 -0.75 4.63 4.57 2ri8B1 ASP 2324 HB2 -0.03 0.05 0.02 -0.04 2.71 2.71 2ri8B1 ASP 2324 HB3 -0.02 -0.07 0.22 -0.04 2.70 2.80 2ri8B1 LEU 2325 H -0.23 0.17 0.13 -0.55 8.37 7.90 2ri8B1 LEU 2325 HA -0.40 0.25 0.66 -0.75 4.35 4.10 2ri8B1 LEU 2325 HB2 -0.52 -0.10 0.17 -0.04 1.64 1.15 2ri8B1 LEU 2325 HB3 -2.04 -0.04 0.09 -0.04 1.64 -0.40 2ri8B1 LEU 2325 HG 0.45 0.10 -0.12 -0.04 1.64 2.04 2ri8B1 LEU 2325 HD13 0.09 -0.03 -0.22 -0.04 0.93 0.73 2ri8B1 LEU 2325 HD23 0.16 0.00 -0.03 -0.04 0.89 0.98 2ri8B1 SER 2326 H -0.49 0.43 -0.13 -0.55 8.46 7.72 2ri8B1 SER 2326 HA -0.92 0.23 0.98 -0.75 4.49 4.03 2ri8B1 SER 2326 HB2 -0.28 0.06 0.06 -0.04 3.95 3.75 2ri8B1 SER 2326 HB3 -0.34 -0.06 -0.12 -0.04 3.93 3.37 2ri8B1 SER 2327 H -0.59 0.52 0.32 -0.55 8.46 8.16 2ri8B1 SER 2327 HA -0.23 0.11 0.75 -0.75 4.49 4.37 2ri8B1 SER 2327 HB2 0.03 0.21 -0.24 -0.04 3.95 3.90 2ri8B1 SER 2327 HB3 -1.23 0.02 -0.04 -0.04 3.93 2.64 2ri8B1 GLN 2328 H -0.39 0.17 0.21 -0.55 8.47 7.91 2ri8B1 GLN 2328 HA -0.30 0.39 1.04 -0.75 4.36 4.74 2ri8B1 GLN 2328 HB2 -0.01 -0.23 0.12 -0.04 2.15 1.99 2ri8B1 GLN 2328 HB3 0.02 -0.02 0.27 -0.04 2.02 2.25 2ri8B1 GLN 2328 HG2 -0.06 0.17 0.00 -0.04 2.40 2.47 2ri8B1 GLN 2328 HG3 -0.14 -0.04 -0.52 -0.04 2.39 1.65 2ri8B1 GLN 2328 HE21 0.01 -0.00 0.04 -0.04 6.97 6.98 2ri8B1 GLN 2328 HE22 -0.02 0.15 -0.04 -0.04 7.69 7.74 2ri8B1 HIS 2329 H 0.25 0.51 0.28 -0.55 8.41 8.90 2ri8B1 HIS 2329 HA 0.41 0.17 0.42 -0.75 4.63 4.89 2ri8B1 HIS 2329 HB2 0.29 0.31 0.14 -0.04 3.26 3.96 2ri8B1 HIS 2329 HB3 0.17 -0.13 0.16 -0.04 3.20 3.36 2ri8B1 HIS 2329 HD2 0.29 0.24 -0.18 -0.04 6.97 7.28 2ri8B1 HIS 2329 HE1 0.19 -0.22 -0.33 -0.04 7.75 7.35 2ri8B1 LEU 2330 H 0.20 0.11 -0.01 -0.55 8.37 8.13 2ri8B1 LEU 2330 HA 0.22 0.04 0.32 -0.75 4.35 4.18 2ri8B1 LEU 2330 HB2 0.11 -0.05 0.12 -0.04 1.64 1.77 2ri8B1 LEU 2330 HB3 0.13 0.03 -0.10 -0.04 1.64 1.65 2ri8B1 LEU 2330 HG 0.07 0.01 0.08 -0.04 1.64 1.76 2ri8B1 LEU 2330 HD13 0.05 -0.00 0.04 -0.04 0.93 0.98 2ri8B1 LEU 2330 HD23 0.04 0.01 0.03 -0.04 0.89 0.92 2ri8B1 THR 2331 H 0.13 0.06 -0.36 -0.55 8.28 7.57 2ri8B1 THR 2331 HA 0.46 0.17 0.47 -0.75 4.39 4.73 2ri8B1 THR 2331 HB 0.02 0.20 0.06 -0.04 4.32 4.56 2ri8B1 THR 2331 HG23 0.16 0.04 -0.03 -0.04 1.22 1.35 2ri8B1 CYS 2332 H 0.16 0.49 -0.44 -0.55 8.50 8.17 2ri8B1 CYS 2332 HA 0.02 0.07 0.36 -0.75 4.58 4.28 2ri8B1 CYS 2332 HB2 -0.04 0.16 0.02 -0.04 2.97 3.08 2ri8B1 CYS 2332 HB3 -0.09 -0.03 0.03 -0.04 2.97 2.84 2ri8B1 PHE 2333 H 0.42 0.28 -0.68 -0.55 8.34 7.80 2ri8B1 PHE 2333 HA 0.08 0.12 0.52 -0.75 4.62 4.59 2ri8B1 PHE 2333 HB2 0.14 -0.01 0.06 -0.04 3.15 3.31 2ri8B1 PHE 2333 HB3 0.13 0.07 0.10 -0.04 3.06 3.31 2ri8B1 PHE 2333 HD2 0.19 0.07 -0.02 -0.04 7.28 7.47 2ri8B1 PHE 2333 HE2 0.30 0.06 -0.02 -0.04 7.38 7.67 2ri8B1 PHE 2333 HZ 0.11 0.06 -0.04 -0.04 7.32 7.41 2ri8B1 ASP 2334 H -0.38 0.63 -0.10 -0.55 8.40 8.00 2ri8B1 ASP 2334 HA -0.68 -0.01 0.32 -0.75 4.63 3.51 2ri8B1 ASP 2334 HB2 -0.37 0.01 -0.01 -0.04 2.71 2.30 2ri8B1 ASP 2334 HB3 -0.22 0.01 0.15 -0.04 2.70 2.60 2ri8B1 GLY 2335 H -0.12 0.23 -0.20 -0.55 8.43 7.79 2ri8B1 GLY 2335 HA2 -0.05 0.05 0.46 -0.51 4.01 3.96 2ri8B1 GLY 2335 HA3 -0.05 0.12 0.30 -0.51 4.01 3.88 2ri8B1 GLY 2336 H -0.01 0.23 -0.30 -0.55 8.43 7.80 2ri8B1 GLY 2336 HA2 -0.05 0.06 0.38 -0.51 4.01 3.89 2ri8B1 GLY 2336 HA3 -0.02 0.06 0.25 -0.51 4.01 3.79 2ri8B1 SER 2337 H 0.00 0.41 -0.20 -0.55 8.46 8.13 2ri8B1 SER 2337 HA -0.05 0.08 0.54 -0.75 4.49 4.30 2ri8B1 SER 2337 HB2 0.29 -0.02 0.03 -0.04 3.95 4.21 2ri8B1 SER 2337 HB3 0.25 0.11 0.12 -0.04 3.93 4.37 2ri8B1 PHE 2338 H 0.27 0.56 0.01 -0.55 8.34 8.63 2ri8B1 PHE 2338 HA 0.44 0.01 0.36 -0.75 4.62 4.67 2ri8B1 PHE 2338 HB2 0.03 0.09 0.14 -0.04 3.15 3.37 2ri8B1 PHE 2338 HB3 0.16 0.16 -0.04 -0.04 3.06 3.30 2ri8B1 PHE 2338 HD2 -0.02 0.01 -0.02 -0.04 7.28 7.21 2ri8B1 PHE 2338 HE2 -0.58 -0.00 -0.03 -0.04 7.38 6.73 2ri8B1 PHE 2338 HZ -0.27 0.07 0.05 -0.04 7.32 7.14 2ri8B1 LEU 2339 H 0.10 0.35 -0.43 -0.55 8.37 7.85 2ri8B1 LEU 2339 HA 0.12 -0.00 0.42 -0.75 4.35 4.13 2ri8B1 LEU 2339 HB2 -0.04 0.05 0.06 -0.04 1.64 1.67 2ri8B1 LEU 2339 HB3 0.02 0.01 -0.09 -0.04 1.64 1.54 2ri8B1 LEU 2339 HG 0.06 -0.01 -0.00 -0.04 1.64 1.64 2ri8B1 LEU 2339 HD13 -0.02 -0.04 -0.32 -0.04 0.93 0.52 2ri8B1 LEU 2339 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 2ri8B1 LEU 2340 H -0.13 0.32 -0.32 -0.55 8.37 7.69 2ri8B1 LEU 2340 HA -0.05 0.10 0.45 -0.75 4.35 4.10 2ri8B1 LEU 2340 HB2 -0.34 0.18 0.24 -0.04 1.64 1.68 2ri8B1 LEU 2340 HB3 -0.23 -0.02 0.02 -0.04 1.64 1.37 2ri8B1 LEU 2340 HG -0.10 -0.00 0.02 -0.04 1.64 1.52 2ri8B1 LEU 2340 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 2ri8B1 LEU 2340 HD23 0.04 0.01 0.01 -0.04 0.89 0.92 2ri8B1 GLY 2341 H -0.21 0.57 -0.04 -0.55 8.43 8.19 2ri8B1 GLY 2341 HA2 -0.37 0.07 0.42 -0.51 4.01 3.62 2ri8B1 GLY 2341 HA3 -0.76 0.05 0.25 -0.51 4.01 3.04 2ri8B1 GLY 2342 H 0.21 0.48 -0.34 -0.55 8.43 8.23 2ri8B1 GLY 2342 HA2 0.38 -0.03 0.38 -0.51 4.01 4.22 2ri8B1 GLY 2342 HA3 0.26 0.07 0.23 -0.51 4.01 4.06 2ri8B1 THR 2343 H 0.08 0.52 -0.11 -0.55 8.28 8.22 2ri8B1 THR 2343 HA 0.06 0.02 0.45 -0.75 4.39 4.17 2ri8B1 THR 2343 HB 0.04 0.02 0.15 -0.04 4.32 4.49 2ri8B1 THR 2343 HG23 0.05 0.12 0.13 -0.04 1.22 1.48 2ri8B1 VAL 2344 H 0.04 0.43 -0.21 -0.55 8.24 7.95 2ri8B1 VAL 2344 HA 0.06 0.19 0.50 -0.75 4.13 4.13 2ri8B1 VAL 2344 HB 0.01 0.03 0.18 -0.04 2.12 2.30 2ri8B1 VAL 2344 HG13 0.19 -0.02 -0.17 -0.04 0.97 0.93 2ri8B1 VAL 2344 HG23 0.04 0.02 0.06 -0.04 0.95 1.02 2ri8B1 LEU 2345 H 0.11 0.67 -0.11 -0.55 8.37 8.49 2ri8B1 LEU 2345 HA 0.11 0.14 0.66 -0.75 4.35 4.50 2ri8B1 LEU 2345 HB2 0.25 0.03 0.04 -0.04 1.64 1.92 2ri8B1 LEU 2345 HB3 0.15 -0.07 0.11 -0.04 1.64 1.80 2ri8B1 LEU 2345 HG 0.03 0.03 0.04 -0.04 1.64 1.70 2ri8B1 LEU 2345 HD13 0.29 -0.03 -0.02 -0.04 0.93 1.13 2ri8B1 LEU 2345 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.73 2ri8B1 ASP 2346 H 0.08 0.17 -0.66 -0.55 8.40 7.44 2ri8B1 ASP 2346 HA 0.05 0.00 0.33 -0.75 4.63 4.26 2ri8B1 ASP 2346 HB2 0.04 0.05 -0.06 -0.04 2.71 2.71 2ri8B1 ASP 2346 HB3 0.04 0.09 -0.03 -0.04 2.70 2.76 2ri8B1 ARG 2347 H 0.11 0.53 -0.05 -0.55 8.46 8.50 2ri8B1 ARG 2347 HA -0.06 0.20 0.88 -0.75 4.34 4.61 2ri8B1 ARG 2347 HB2 0.15 -0.02 0.12 -0.04 1.90 2.11 2ri8B1 ARG 2347 HB3 -0.50 -0.17 0.09 -0.04 1.80 1.17 2ri8B1 ARG 2347 HG2 0.04 0.34 -0.26 -0.04 1.67 1.75 2ri8B1 ARG 2347 HG3 0.03 -0.03 -0.05 -0.04 1.67 1.58 2ri8B1 ARG 2347 HD2 -0.13 0.02 0.05 -0.04 3.22 3.13 2ri8B1 ARG 2347 HD3 -0.07 0.06 -0.01 -0.04 3.22 3.16 2ri8B1 GLN 2348 H -0.01 0.34 0.00 -0.55 8.47 8.25 2ri8B1 GLN 2348 HA 0.04 0.06 0.31 -0.75 4.36 4.02 2ri8B1 GLN 2348 HB2 0.01 0.09 0.09 -0.04 2.15 2.29 2ri8B1 GLN 2348 HB3 -0.01 0.02 0.06 -0.04 2.02 2.05 2ri8B1 GLN 2348 HG2 0.00 0.06 -0.02 -0.04 2.40 2.40 2ri8B1 GLN 2348 HG3 0.01 -0.03 -0.15 -0.04 2.39 2.18 2ri8B1 GLN 2348 HE21 0.02 0.04 -0.01 -0.04 6.97 6.98 2ri8B1 GLN 2348 HE22 0.01 0.04 0.00 -0.04 7.69 7.71 2ri8B1 ASP 2349 H -0.08 0.12 -0.36 -0.55 8.40 7.52 2ri8B1 ASP 2349 HA 0.01 0.09 0.45 -0.75 4.63 4.43 2ri8B1 ASP 2349 HB2 -0.07 0.06 0.02 -0.04 2.71 2.68 2ri8B1 ASP 2349 HB3 -0.08 0.03 0.05 -0.04 2.70 2.65 2ri8B1 PHE 2350 H 0.04 0.43 -0.16 -0.55 8.34 8.10 2ri8B1 PHE 2350 HA 0.27 0.09 0.52 -0.75 4.62 4.75 2ri8B1 PHE 2350 HB2 0.27 0.08 0.14 -0.04 3.15 3.59 2ri8B1 PHE 2350 HB3 0.52 0.07 0.05 -0.04 3.06 3.65 2ri8B1 PHE 2350 HD2 0.29 0.03 -0.14 -0.04 7.28 7.42 2ri8B1 PHE 2350 HE2 0.14 0.04 -0.11 -0.04 7.38 7.41 2ri8B1 PHE 2350 HZ -0.00 0.10 0.01 -0.04 7.32 7.39 2ri8B1 ILE 2351 H 0.22 0.35 -0.12 -0.55 8.25 8.15 2ri8B1 ILE 2351 HA 0.17 0.04 0.31 -0.75 4.18 3.95 2ri8B1 ILE 2351 HB 0.08 0.12 0.14 -0.04 1.89 2.20 2ri8B1 ILE 2351 HG12 0.11 0.02 -0.00 -0.04 1.49 1.58 2ri8B1 ILE 2351 HG13 0.15 -0.00 -0.10 -0.04 1.21 1.22 2ri8B1 ILE 2351 HG23 0.04 0.00 -0.15 -0.04 0.93 0.78 2ri8B1 ILE 2351 HD13 0.05 0.01 -0.18 -0.04 0.88 0.72 2ri8B1 ASP 2352 H 0.10 0.59 -0.12 -0.55 8.40 8.42 2ri8B1 ASP 2352 HA 0.03 0.03 0.41 -0.75 4.63 4.34 2ri8B1 ASP 2352 HB2 0.06 0.07 0.07 -0.04 2.71 2.87 2ri8B1 ASP 2352 HB3 0.03 -0.01 0.01 -0.04 2.70 2.70 2ri8B1 PHE 2353 H 0.18 0.37 -0.39 -0.55 8.34 7.95 2ri8B1 PHE 2353 HA -0.17 0.08 0.50 -0.75 4.62 4.28 2ri8B1 PHE 2353 HB2 -0.15 0.09 0.11 -0.04 3.15 3.16 2ri8B1 PHE 2353 HB3 -0.33 0.09 0.09 -0.04 3.06 2.87 2ri8B1 PHE 2353 HD2 -1.39 0.02 -0.05 -0.04 7.28 5.82 2ri8B1 PHE 2353 HE2 -0.64 0.00 -0.07 -0.04 7.38 6.63 2ri8B1 PHE 2353 HZ -0.38 0.00 -0.15 -0.04 7.32 6.75 2ri8B1 GLY 2354 H 0.03 0.39 -0.42 -0.55 8.43 7.89 2ri8B1 GLY 2354 HA2 -0.21 -0.00 0.58 -0.51 4.01 3.86 2ri8B1 GLY 2354 HA3 0.04 0.14 0.31 -0.51 4.01 3.99 2ri8B1 LEU 2355 H -0.05 0.49 -0.06 -0.55 8.37 8.20 2ri8B1 LEU 2355 HA -0.06 0.01 0.48 -0.75 4.35 4.02 2ri8B1 LEU 2355 HB2 -0.01 0.15 0.10 -0.04 1.64 1.84 2ri8B1 LEU 2355 HB3 0.02 -0.04 0.06 -0.04 1.64 1.65 2ri8B1 LEU 2355 HG -0.03 0.22 0.11 -0.04 1.64 1.89 2ri8B1 LEU 2355 HD13 0.02 -0.01 -0.02 -0.04 0.93 0.88 2ri8B1 LEU 2355 HD23 -0.22 -0.02 0.02 -0.04 0.89 0.63 2ri8B1 GLU 2356 H -0.16 0.32 -0.39 -0.55 8.60 7.81 2ri8B1 GLU 2356 HA -0.09 0.08 0.48 -0.75 4.29 4.01 2ri8B1 GLU 2356 HB2 -0.37 0.08 0.06 -0.04 2.09 1.83 2ri8B1 GLU 2356 HB3 -0.21 0.00 -0.00 -0.04 1.99 1.75 2ri8B1 GLU 2356 HG2 -0.05 -0.04 0.00 -0.04 2.34 2.22 2ri8B1 GLU 2356 HG3 -0.06 0.43 0.14 -0.04 2.34 2.82 2ri8B1 LEU 2357 H -0.37 0.27 -0.39 -0.55 8.37 7.33 2ri8B1 LEU 2357 HA -0.26 0.22 0.52 -0.75 4.35 4.08 2ri8B1 LEU 2357 HB2 -0.32 0.06 0.15 -0.04 1.64 1.49 2ri8B1 LEU 2357 HB3 -0.25 -0.14 0.02 -0.04 1.64 1.23 2ri8B1 LEU 2357 HG -1.18 0.32 0.05 -0.04 1.64 0.79 2ri8B1 LEU 2357 HD13 -0.67 -0.04 -0.13 -0.04 0.93 0.05 2ri8B1 LEU 2357 HD23 -0.50 0.00 -0.20 -0.04 0.89 0.16 2ri8B1 VAL 2358 H -0.07 0.49 -0.13 -0.55 8.24 7.98 2ri8B1 VAL 2358 HA 0.11 -0.04 0.41 -0.75 4.13 3.86 2ri8B1 VAL 2358 HB 0.06 0.09 0.25 -0.04 2.12 2.47 2ri8B1 VAL 2358 HG13 0.45 -0.00 -0.18 -0.04 0.97 1.19 2ri8B1 VAL 2358 HG23 0.07 -0.01 -0.08 -0.04 0.95 0.89 2ri8B1 ASP 2359 H 0.10 0.66 -0.09 -0.55 8.40 8.53 2ri8B1 ASP 2359 HA 0.21 -0.03 0.33 -0.75 4.63 4.39 2ri8B1 ASP 2359 HB2 -0.01 0.12 0.14 -0.04 2.71 2.92 2ri8B1 ASP 2359 HB3 0.06 0.01 0.02 -0.04 2.70 2.74 2ri8B1 GLY 2360 H -0.08 0.44 -0.28 -0.55 8.43 7.97 2ri8B1 GLY 2360 HA2 -0.23 0.03 0.39 -0.51 4.01 3.70 2ri8B1 GLY 2360 HA3 -0.15 0.25 0.37 -0.51 4.01 3.97 2ri8B1 CYS 2361 H 0.05 0.52 -0.20 -0.55 8.50 8.32 2ri8B1 CYS 2361 HA -0.05 -0.00 0.53 -0.75 4.58 4.29 2ri8B1 CYS 2361 HB2 -0.04 0.15 0.20 -0.04 2.97 3.24 2ri8B1 CYS 2361 HB3 -0.15 -0.14 0.05 -0.04 2.97 2.69 2ri8B1 GLU 2362 H 0.07 0.69 -0.01 -0.55 8.60 8.81 2ri8B1 GLU 2362 HA 0.05 -0.06 0.40 -0.75 4.29 3.93 2ri8B1 GLU 2362 HB2 -0.26 -0.07 0.05 -0.04 2.09 1.78 2ri8B1 GLU 2362 HB3 -0.37 0.16 0.13 -0.04 1.99 1.87 2ri8B1 GLU 2362 HG2 -3.50 -0.02 -0.03 -0.04 2.34 -1.25 2ri8B1 GLU 2362 HG3 -0.93 0.07 -0.21 -0.04 2.34 1.22 2ri8B1 ALA 2363 H -0.10 0.36 -0.66 -0.55 8.40 7.44 2ri8B1 ALA 2363 HA -0.12 0.05 0.42 -0.75 4.34 3.94 2ri8B1 ALA 2363 HB3 -0.08 0.10 0.03 -0.04 1.41 1.42 2ri8B1 THR 2364 H -0.20 0.33 -0.13 -0.55 8.28 7.73 2ri8B1 THR 2364 HA -0.20 0.05 0.30 -0.75 4.39 3.79 2ri8B1 THR 2364 HB -0.97 -0.11 0.02 -0.04 4.32 3.21 2ri8B1 THR 2364 HG23 -2.01 0.04 -0.05 -0.04 1.22 -0.83 2ri8B1 TYR 2365 H 0.09 0.28 -0.60 -0.55 8.29 7.51 2ri8B1 TYR 2365 HA -0.06 -0.04 0.16 -0.75 4.56 3.86 2ri8B1 TYR 2365 HB2 -0.07 0.10 0.09 -0.04 3.06 3.14 2ri8B1 TYR 2365 HB3 -0.05 0.11 -0.13 -0.04 2.98 2.86 2ri8B1 TYR 2365 HD2 -0.08 0.21 -0.05 -0.04 7.15 7.19 2ri8B1 TYR 2365 HE2 -0.10 0.02 -0.00 -0.04 6.85 6.73 2ri8B1 ASN 2366 H -0.02 0.56 0.01 -0.55 8.53 8.54 2ri8B1 ASN 2366 HA -0.00 0.07 0.44 -0.75 4.76 4.52 2ri8B1 ASN 2366 HB2 -0.06 -0.02 0.16 -0.04 2.88 2.92 2ri8B1 ASN 2366 HB3 -0.12 -0.05 0.09 -0.04 2.79 2.67 2ri8B1 ASN 2366 HD21 -0.28 -0.03 -0.07 -0.04 7.03 6.61 2ri8B1 ASN 2366 HD22 -0.36 -0.08 0.00 -0.04 7.74 7.26 2ri8B1 SER 2367 H 0.06 0.18 -0.92 -0.55 8.46 7.24 2ri8B1 SER 2367 HA 0.02 0.17 0.78 -0.75 4.49 4.71 2ri8B1 SER 2367 HB2 0.21 0.04 -0.04 -0.04 3.95 4.13 2ri8B1 SER 2367 HB3 -0.09 -0.15 0.09 -0.04 3.93 3.74 2ri8B1 THR 2368 H 0.06 0.33 -0.15 -0.55 8.28 7.98 2ri8B1 THR 2368 HA 0.11 0.14 0.85 -0.75 4.39 4.73 2ri8B1 THR 2368 HB -0.00 -0.03 0.07 -0.04 4.32 4.32 2ri8B1 THR 2368 HG23 0.08 0.06 0.00 -0.04 1.22 1.33 2ri8B1 LEU 2369 H -0.01 0.07 0.21 -0.55 8.37 8.09 2ri8B1 LEU 2369 HA 0.00 0.13 0.35 -0.75 4.35 4.07 2ri8B1 LEU 2369 HB2 -0.02 0.03 0.02 -0.04 1.64 1.63 2ri8B1 LEU 2369 HB3 -0.02 -0.07 -0.09 -0.04 1.64 1.42 2ri8B1 LEU 2369 HG -0.01 0.05 -0.02 -0.04 1.64 1.62 2ri8B1 LEU 2369 HD13 -0.02 -0.04 -0.16 -0.04 0.93 0.67 2ri8B1 LEU 2369 HD23 -0.01 0.01 -0.22 -0.04 0.89 0.63 2ri8B1 THR 2370 H -0.03 0.32 0.03 -0.55 8.28 8.06 2ri8B1 THR 2370 HA -0.03 0.16 0.63 -0.75 4.39 4.40 2ri8B1 THR 2370 HB -0.06 0.02 0.04 -0.04 4.32 4.28 2ri8B1 THR 2370 HG23 -0.02 -0.04 -0.04 -0.04 1.22 1.07 2ri8B1 LYS 2371 H -0.04 0.10 -0.36 -0.55 8.42 7.57 2ri8B1 LYS 2371 HA -0.03 0.19 0.21 -0.75 4.32 3.93 2ri8B1 LYS 2371 HB2 -0.03 0.35 0.09 -0.04 1.87 2.24 2ri8B1 LYS 2371 HB3 0.01 -0.09 0.22 -0.04 1.79 1.89 2ri8B1 LYS 2371 HG2 0.01 -0.06 -0.04 -0.04 1.46 1.32 2ri8B1 LYS 2371 HG3 0.00 -0.03 -0.03 -0.04 1.46 1.36 2ri8B1 LYS 2371 HD2 -0.01 0.03 -0.40 -0.04 1.69 1.27 2ri8B1 LYS 2371 HD3 -0.01 -0.03 -0.18 -0.04 1.68 1.42 2ri8B1 LYS 2371 HE2 0.00 -0.02 -0.06 -0.04 2.99 2.88 2ri8B1 LYS 2371 HE3 0.01 -0.09 -0.04 -0.04 2.99 2.82 2ri8B1 ILE 2372 H -0.18 0.18 0.02 -0.55 8.25 7.72 2ri8B1 ILE 2372 HA -0.75 0.09 0.71 -0.75 4.18 3.47 2ri8B1 ILE 2372 HB -0.29 -0.05 -0.05 -0.04 1.89 1.46 2ri8B1 ILE 2372 HG12 -0.28 0.07 -0.14 -0.04 1.49 1.10 2ri8B1 ILE 2372 HG13 -0.19 0.08 -0.61 -0.04 1.21 0.44 2ri8B1 ILE 2372 HG23 -0.87 0.02 -0.06 -0.04 0.93 -0.03 2ri8B1 ILE 2372 HD13 -0.28 -0.01 -0.21 -0.04 0.88 0.34 2ri8B1 GLY 2373 H -2.15 0.03 0.04 -0.55 8.43 5.80 2ri8B1 GLY 2373 HA2 -0.25 0.38 0.39 -0.51 4.01 4.02 2ri8B1 GLY 2373 HA3 -0.34 -0.04 0.10 -0.51 4.01 3.23 2ri8B1 PRO 2374 HA 0.16 0.12 0.50 -0.51 4.44 4.71 2ri8B1 PRO 2374 HB2 0.28 0.10 0.19 -0.04 2.28 2.81 2ri8B1 PRO 2374 HB3 0.18 -0.02 0.14 -0.04 2.02 2.29 2ri8B1 PRO 2374 HG2 0.20 -0.06 -0.12 -0.04 2.03 2.01 2ri8B1 PRO 2374 HG3 0.14 0.03 -0.01 -0.04 2.03 2.15 2ri8B1 PRO 2374 HD2 -0.27 0.06 0.09 -0.04 3.68 3.52 2ri8B1 PRO 2374 HD3 0.01 0.30 0.18 -0.04 3.65 4.09 2ri8B1 ASP 2375 H 0.20 0.25 0.23 -0.55 8.40 8.54 2ri8B1 ASP 2375 HA 0.26 -0.04 0.55 -0.75 4.63 4.65 2ri8B1 ASP 2375 HB2 0.12 0.22 0.14 -0.04 2.71 3.15 2ri8B1 ASP 2375 HB3 0.13 -0.01 0.08 -0.04 2.70 2.86 2ri8B1 SER 2376 H 0.27 0.32 0.05 -0.55 8.46 8.55 2ri8B1 SER 2376 HA -0.08 0.21 0.71 -0.75 4.49 4.57 2ri8B1 SER 2376 HB2 -0.05 0.13 0.11 -0.04 3.95 4.09 2ri8B1 SER 2376 HB3 0.02 -0.01 -0.07 -0.04 3.93 3.83 2ri8B1 TRP 2377 H -0.43 0.42 0.23 -0.55 7.97 7.65 2ri8B1 TRP 2377 HA 0.06 0.06 0.87 -0.75 4.62 4.86 2ri8B1 TRP 2377 HB2 0.16 0.11 -0.13 -0.04 3.23 3.32 2ri8B1 TRP 2377 HB3 -0.02 -0.04 -0.26 -0.04 3.23 2.87 2ri8B1 TRP 2377 HD1 0.13 0.14 -0.40 -0.04 7.22 7.05 2ri8B1 TRP 2377 HE1 -2.36 0.09 -0.22 -0.04 10.20 7.67 2ri8B1 TRP 2377 HE3 -0.08 -0.11 -0.46 -0.04 7.59 6.90 2ri8B1 TRP 2377 HZ2 -0.77 0.05 -0.15 -0.04 7.44 6.53 2ri8B1 TRP 2377 HZ3 -0.03 0.04 -0.39 -0.04 7.13 6.71 2ri8B1 TRP 2377 HH2 -0.18 -0.00 -0.17 -0.04 7.19 6.79 2ri8B1 GLY 2378 H -0.13 0.66 0.27 -0.55 8.43 8.67 2ri8B1 GLY 2378 HA2 -0.43 0.24 1.10 -0.51 4.01 4.41 2ri8B1 GLY 2378 HA3 -0.81 0.02 0.39 -0.51 4.01 3.10 2ri8B1 TRP 2379 H -0.49 0.17 0.32 -0.55 7.97 7.42 2ri8B1 TRP 2379 HA 0.25 0.05 0.50 -0.75 4.62 4.66 2ri8B1 TRP 2379 HB2 0.38 0.02 0.14 -0.04 3.23 3.73 2ri8B1 TRP 2379 HB3 0.44 0.08 -0.12 -0.04 3.23 3.59 2ri8B1 TRP 2379 HD1 0.20 -0.03 -0.20 -0.04 7.22 7.15 2ri8B1 TRP 2379 HE1 0.15 0.03 -0.21 -0.04 10.20 10.13 2ri8B1 TRP 2379 HE3 0.18 -0.08 -0.51 -0.04 7.59 7.15 2ri8B1 TRP 2379 HZ2 0.09 0.07 -0.37 -0.04 7.44 7.18 2ri8B1 TRP 2379 HZ3 -0.75 -0.15 -0.28 -0.04 7.13 5.91 2ri8B1 TRP 2379 HH2 -0.15 0.22 -0.36 -0.04 7.19 6.85 2ri8B1 ASP 2380 H -0.01 -0.05 0.18 -0.55 8.40 7.97 2ri8B1 ASP 2380 HA 0.02 0.19 0.53 -0.75 4.63 4.62 2ri8B1 ASP 2380 HB2 -0.15 0.00 0.16 -0.04 2.71 2.68 2ri8B1 ASP 2380 HB3 0.08 -0.02 0.11 -0.04 2.70 2.84 2ri8B1 PRO 2381 HA -0.07 0.08 0.42 -0.51 4.44 4.36 2ri8B1 PRO 2381 HB2 0.04 0.02 0.07 -0.04 2.28 2.37 2ri8B1 PRO 2381 HB3 0.04 0.05 0.12 -0.04 2.02 2.18 2ri8B1 PRO 2381 HG2 0.11 0.07 0.14 -0.04 2.03 2.32 2ri8B1 PRO 2381 HG3 0.14 0.04 0.16 -0.04 2.03 2.33 2ri8B1 PRO 2381 HD2 0.08 0.08 0.26 -0.04 3.68 4.05 2ri8B1 PRO 2381 HD3 0.17 0.29 0.40 -0.04 3.65 4.46 2ri8B1 LYS 2382 H 0.00 0.11 -0.25 -0.55 8.42 7.72 2ri8B1 LYS 2382 HA -0.03 0.21 0.74 -0.75 4.32 4.48 2ri8B1 LYS 2382 HB2 -0.01 -0.01 0.05 -0.04 1.87 1.86 2ri8B1 LYS 2382 HB3 -0.01 0.02 0.18 -0.04 1.79 1.94 2ri8B1 LYS 2382 HG2 0.00 0.05 -0.02 -0.04 1.46 1.44 2ri8B1 LYS 2382 HG3 0.01 -0.05 -0.04 -0.04 1.46 1.34 2ri8B1 LYS 2382 HD2 0.01 -0.00 0.02 -0.04 1.69 1.68 2ri8B1 LYS 2382 HD3 0.00 0.00 0.03 -0.04 1.68 1.67 2ri8B1 LYS 2382 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 2ri8B1 LYS 2382 HE3 0.02 0.01 0.00 -0.04 2.99 2.98 2ri8B1 LYS 2383 H -0.08 0.32 -0.50 -0.55 8.42 7.60 2ri8B1 LYS 2383 HA -0.12 0.15 0.57 -0.75 4.32 4.17 2ri8B1 LYS 2383 HB2 -0.01 -0.02 -0.03 -0.04 1.87 1.77 2ri8B1 LYS 2383 HB3 -0.10 -0.03 0.14 -0.04 1.79 1.77 2ri8B1 LYS 2383 HG2 -0.04 0.13 -0.05 -0.04 1.46 1.46 2ri8B1 LYS 2383 HG3 -0.02 -0.14 -0.68 -0.04 1.46 0.58 2ri8B1 LYS 2383 HD2 0.01 -0.07 -0.06 -0.04 1.69 1.52 2ri8B1 LYS 2383 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.61 2ri8B1 LYS 2383 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.87 2ri8B1 LYS 2383 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.88 2ri8B1 VAL 2384 H -0.20 0.19 -0.08 -0.55 8.24 7.60 2ri8B1 VAL 2384 HA -0.75 0.14 0.58 -0.75 4.13 3.35 2ri8B1 VAL 2384 HB -0.18 0.01 0.07 -0.04 2.12 1.98 2ri8B1 VAL 2384 HG13 -0.06 0.01 -0.21 -0.04 0.97 0.67 2ri8B1 VAL 2384 HG23 -0.36 0.00 -0.13 -0.04 0.95 0.42 2ri8B1 PRO 2385 HA -0.08 0.05 0.39 -0.51 4.44 4.28 2ri8B1 PRO 2385 HB2 -0.00 -0.13 0.12 -0.04 2.28 2.23 2ri8B1 PRO 2385 HB3 -0.02 0.04 0.09 -0.04 2.02 2.09 2ri8B1 PRO 2385 HG2 -0.01 0.09 0.08 -0.04 2.03 2.14 2ri8B1 PRO 2385 HG3 -0.12 0.10 0.09 -0.04 2.03 2.06 2ri8B1 PRO 2385 HD2 -0.28 0.02 0.16 -0.04 3.68 3.54 2ri8B1 PRO 2385 HD3 -0.80 0.50 0.38 -0.04 3.65 3.69 2ri8B1 SER 2386 H -0.03 0.21 0.18 -0.55 8.46 8.27 2ri8B1 SER 2386 HA -0.01 0.14 0.45 -0.75 4.49 4.33 2ri8B1 SER 2386 HB2 -0.01 -0.02 0.10 -0.04 3.95 3.98 2ri8B1 SER 2386 HB3 -0.00 0.03 0.15 -0.04 3.93 4.07 2ri8B1 ASP 2387 H 0.00 -0.02 -0.64 -0.55 8.40 7.19 2ri8B1 ASP 2387 HA 0.01 0.25 0.84 -0.75 4.63 4.97 2ri8B1 ASP 2387 HB2 0.01 0.05 0.11 -0.04 2.71 2.83 2ri8B1 ASP 2387 HB3 0.00 0.02 -0.02 -0.04 2.70 2.66 2ri8B1 GLN 2388 H 0.03 0.45 -0.10 -0.55 8.47 8.31 2ri8B1 GLN 2388 HA 0.08 0.20 0.88 -0.75 4.36 4.77 2ri8B1 GLN 2388 HB2 0.07 -0.02 -0.03 -0.04 2.15 2.12 2ri8B1 GLN 2388 HB3 0.12 0.08 0.04 -0.04 2.02 2.21 2ri8B1 GLN 2388 HG2 0.34 -0.09 0.18 -0.04 2.40 2.79 2ri8B1 GLN 2388 HG3 0.05 0.05 0.15 -0.04 2.39 2.60 2ri8B1 GLN 2388 HE21 0.19 -0.04 0.13 -0.04 6.97 7.20 2ri8B1 GLN 2388 HE22 -0.07 0.07 0.11 -0.04 7.69 7.76 2ri8B1 LYS 2389 H 0.06 0.18 -0.06 -0.55 8.42 8.05 2ri8B1 LYS 2389 HA 0.13 0.04 0.26 -0.75 4.32 4.00 2ri8B1 LYS 2389 HB2 0.04 0.08 0.05 -0.04 1.87 1.99 2ri8B1 LYS 2389 HB3 0.05 -0.00 -0.00 -0.04 1.79 1.80 2ri8B1 LYS 2389 HG2 0.08 0.01 -0.27 -0.04 1.46 1.23 2ri8B1 LYS 2389 HG3 0.10 -0.00 -0.02 -0.04 1.46 1.49 2ri8B1 LYS 2389 HD2 0.03 0.01 -0.02 -0.04 1.69 1.68 2ri8B1 LYS 2389 HD3 0.05 0.01 -0.04 -0.04 1.68 1.65 2ri8B1 LYS 2389 HE2 0.02 -0.00 -0.00 -0.04 2.99 2.96 2ri8B1 LYS 2389 HE3 0.03 0.01 -0.01 -0.04 2.99 2.97 2ri8B1 GLU 2390 H 0.09 0.08 -0.46 -0.55 8.60 7.76 2ri8B1 GLU 2390 HA 0.06 0.09 0.35 -0.75 4.29 4.04 2ri8B1 GLU 2390 HB2 0.08 -0.01 -0.01 -0.04 2.09 2.11 2ri8B1 GLU 2390 HB3 0.05 0.05 -0.02 -0.04 1.99 2.03 2ri8B1 GLU 2390 HG2 0.04 0.03 -0.03 -0.04 2.34 2.34 2ri8B1 GLU 2390 HG3 0.05 -0.06 -0.05 -0.04 2.34 2.24 2ri8B1 PHE 2391 H 0.22 0.14 -0.15 -0.55 8.34 8.00 2ri8B1 PHE 2391 HA -0.05 0.04 0.45 -0.75 4.62 4.30 2ri8B1 PHE 2391 HB2 -0.01 -0.04 0.19 -0.04 3.15 3.24 2ri8B1 PHE 2391 HB3 0.01 0.04 0.25 -0.04 3.06 3.32 2ri8B1 PHE 2391 HD2 -0.09 -0.02 0.10 -0.04 7.28 7.23 2ri8B1 PHE 2391 HE2 -0.28 0.10 0.04 -0.04 7.38 7.21 2ri8B1 PHE 2391 HZ -0.10 0.03 -0.12 -0.04 7.32 7.09 2ri8B1 TYR 2392 H 0.28 0.41 -0.05 -0.55 8.29 8.37 2ri8B1 TYR 2392 HA -0.17 0.10 0.36 -0.75 4.56 4.10 2ri8B1 TYR 2392 HB2 0.19 -0.07 -0.15 -0.04 3.06 2.99 2ri8B1 TYR 2392 HB3 0.08 0.10 0.01 -0.04 2.98 3.13 2ri8B1 TYR 2392 HD2 0.16 -0.02 -0.23 -0.04 7.15 7.02 2ri8B1 TYR 2392 HE2 0.18 0.07 -0.14 -0.04 6.85 6.91 2ri8B1 GLU 2393 H 0.07 0.42 -0.32 -0.55 8.60 8.22 2ri8B1 GLU 2393 HA -0.32 -0.06 0.27 -0.75 4.29 3.42 2ri8B1 GLU 2393 HB2 0.02 0.11 0.16 -0.04 2.09 2.34 2ri8B1 GLU 2393 HB3 -0.05 0.01 -0.05 -0.04 1.99 1.86 2ri8B1 GLU 2393 HG2 0.02 -0.05 -0.00 -0.04 2.34 2.26 2ri8B1 GLU 2393 HG3 -0.02 0.01 0.04 -0.04 2.34 2.34 2ri8B1 LYS 2394 H -0.21 0.30 -0.18 -0.55 8.42 7.78 2ri8B1 LYS 2394 HA -0.17 0.18 0.86 -0.75 4.32 4.44 2ri8B1 LYS 2394 HB2 -0.12 -0.01 0.01 -0.04 1.87 1.71 2ri8B1 LYS 2394 HB3 -0.09 -0.05 0.04 -0.04 1.79 1.64 2ri8B1 LYS 2394 HG2 -0.12 0.14 0.20 -0.04 1.46 1.63 2ri8B1 LYS 2394 HG3 -0.24 -0.09 0.17 -0.04 1.46 1.25 2ri8B1 LYS 2394 HD2 -0.05 0.01 -0.00 -0.04 1.69 1.60 2ri8B1 LYS 2394 HD3 -0.03 -0.04 0.01 -0.04 1.68 1.58 2ri8B1 LYS 2394 HE2 0.04 0.05 0.04 -0.04 2.99 3.08 2ri8B1 LYS 2394 HE3 0.04 -0.03 -0.00 -0.04 2.99 2.96 2ri8B1 ALA 2395 H -0.51 0.25 0.16 -0.55 8.40 7.76 2ri8B1 ALA 2395 HA -0.28 0.03 0.36 -0.75 4.34 3.69 2ri8B1 ALA 2395 HB3 -1.06 -0.02 0.06 -0.04 1.41 0.34 2ri8B1 GLY 2396 H -0.50 0.25 -0.04 -0.55 8.43 7.58 2ri8B1 GLY 2396 HA2 -0.37 0.04 0.12 -0.51 4.01 3.29 2ri8B1 GLY 2396 HA3 -0.10 0.18 0.80 -0.51 4.01 4.39 2ri8B1 PHE 2397 H -0.40 0.20 0.14 -0.55 8.34 7.73 2ri8B1 PHE 2397 HA 0.60 0.08 0.51 -0.75 4.62 5.06 2ri8B1 PHE 2397 HB2 0.45 0.14 0.08 -0.04 3.15 3.78 2ri8B1 PHE 2397 HB3 0.39 0.19 -0.36 -0.04 3.06 3.24 2ri8B1 PHE 2397 HD2 0.11 0.02 -0.54 -0.04 7.28 6.83 2ri8B1 PHE 2397 HE2 0.02 0.03 -0.23 -0.04 7.38 7.15 2ri8B1 PHE 2397 HZ 0.03 0.10 -0.08 -0.04 7.32 7.33 2ri8B1 TYR 2398 H 0.36 0.68 0.20 -0.55 8.29 8.98 2ri8B1 TYR 2398 HA 0.35 0.13 0.97 -0.75 4.56 5.25 2ri8B1 TYR 2398 HB2 0.22 0.04 0.04 -0.04 3.06 3.32 2ri8B1 TYR 2398 HB3 0.25 -0.00 -0.12 -0.04 2.98 3.07 2ri8B1 TYR 2398 HD2 0.17 0.08 -0.18 -0.04 7.15 7.17 2ri8B1 TYR 2398 HE2 0.04 0.03 -0.16 -0.04 6.85 6.72 2ri8B1 ILE 2399 H 0.49 0.16 0.09 -0.55 8.25 8.44 2ri8B1 ILE 2399 HA 0.54 0.01 0.43 -0.75 4.18 4.42 2ri8B1 ILE 2399 HB 0.18 0.01 0.08 -0.04 1.89 2.12 2ri8B1 ILE 2399 HG12 0.45 0.04 0.04 -0.04 1.49 1.97 2ri8B1 ILE 2399 HG13 0.47 0.03 0.06 -0.04 1.21 1.73 2ri8B1 ILE 2399 HG23 0.20 0.01 -0.26 -0.04 0.93 0.83 2ri8B1 ILE 2399 HD13 0.01 0.01 -0.00 -0.04 0.88 0.85 2ri8B1 SER 2400 H 0.32 0.56 0.62 -0.55 8.46 9.41 2ri8B1 SER 2400 HA 0.24 0.19 0.87 -0.75 4.49 5.03 2ri8B1 SER 2400 HB2 0.16 -0.04 -0.11 -0.04 3.95 3.92 2ri8B1 SER 2400 HB3 0.14 -0.01 -0.56 -0.04 3.93 3.46 2ri8B1 SER 2401 H 0.22 0.28 0.30 -0.55 8.46 8.71 2ri8B1 SER 2401 HA 0.12 0.14 0.57 -0.75 4.49 4.56 2ri8B1 SER 2401 HB2 0.10 0.16 -0.09 -0.04 3.95 4.08 2ri8B1 SER 2401 HB3 0.13 -0.18 0.15 -0.04 3.93 3.99 2ri8B1 GLY 2402 H 0.10 0.26 0.16 -0.55 8.43 8.41 2ri8B1 GLY 2402 HA2 0.12 0.14 0.75 -0.51 4.01 4.51 2ri8B1 GLY 2402 HA3 0.08 0.04 0.46 -0.51 4.01 4.08 2ri8B1 SER 2403 H 0.13 -0.06 -0.19 -0.55 8.46 7.79 2ri8B1 SER 2403 HA 0.15 0.33 0.58 -0.75 4.49 4.79 2ri8B1 SER 2403 HB2 0.11 -0.13 0.06 -0.04 3.95 3.95 2ri8B1 SER 2403 HB3 0.10 -0.00 0.02 -0.04 3.93 4.01 2ri8B1 TYR 2404 H 0.08 0.68 0.23 -0.55 8.29 8.73 2ri8B1 TYR 2404 HA -0.05 0.08 0.75 -0.75 4.56 4.58 2ri8B1 TYR 2404 HB2 -0.03 0.20 -0.09 -0.04 3.06 3.10 2ri8B1 TYR 2404 HB3 -0.02 0.04 0.15 -0.04 2.98 3.12 2ri8B1 TYR 2404 HD2 -0.04 0.13 0.02 -0.04 7.15 7.22 2ri8B1 TYR 2404 HE2 0.04 0.08 -0.03 -0.04 6.85 6.89 2ri8B1 VAL 2405 H -0.40 0.15 0.02 -0.55 8.24 7.46 2ri8B1 VAL 2405 HA -0.40 0.22 0.84 -0.75 4.13 4.04 2ri8B1 VAL 2405 HB -0.15 -0.00 0.17 -0.04 2.12 2.09 2ri8B1 VAL 2405 HG13 -0.31 0.01 -0.08 -0.04 0.97 0.55 2ri8B1 VAL 2405 HG23 -0.12 -0.01 -0.01 -0.04 0.95 0.78 2ri8B1 LEU 2406 H -1.44 0.23 -0.43 -0.55 8.37 6.18 2ri8B1 LEU 2406 HA -0.32 0.13 0.19 -0.75 4.35 3.60 2ri8B1 LEU 2406 HB2 -0.08 0.07 0.08 -0.04 1.64 1.66 2ri8B1 LEU 2406 HB3 -0.01 0.02 0.08 -0.04 1.64 1.69 2ri8B1 LEU 2406 HG -0.15 -0.10 -0.46 -0.04 1.64 0.89 2ri8B1 LEU 2406 HD13 -0.06 -0.01 -0.15 -0.04 0.93 0.67 2ri8B1 LEU 2406 HD23 0.10 0.06 -0.23 -0.04 0.89 0.78 2ri8B1 ARG 2407 H -0.77 -0.06 -0.24 -0.55 8.46 6.84 2ri8B1 ARG 2407 HA -0.12 0.15 0.40 -0.75 4.34 4.02 2ri8B1 ARG 2407 HB2 -0.63 0.01 -0.03 -0.04 1.90 1.21 2ri8B1 ARG 2407 HB3 -0.20 -0.05 0.00 -0.04 1.80 1.50 2ri8B1 ARG 2407 HG2 -0.10 0.11 -0.14 -0.04 1.67 1.50 2ri8B1 ARG 2407 HG3 -0.31 -0.16 -0.09 -0.04 1.67 1.08 2ri8B1 ARG 2407 HD2 -0.07 0.02 -0.01 -0.04 3.22 3.12 2ri8B1 ARG 2407 HD3 -0.17 -0.03 -0.01 -0.04 3.22 2.97 2ri8B1 PRO 2408 HA 0.25 0.27 0.92 -0.51 4.44 5.38 2ri8B1 PRO 2408 HB2 0.26 0.07 -0.11 -0.04 2.28 2.46 2ri8B1 PRO 2408 HB3 0.18 0.09 -0.22 -0.04 2.02 2.02 2ri8B1 PRO 2408 HG2 0.09 0.05 -0.16 -0.04 2.03 1.97 2ri8B1 PRO 2408 HG3 0.03 0.06 -0.06 -0.04 2.03 2.02 2ri8B1 PRO 2408 HD2 -0.23 0.03 0.14 -0.04 3.68 3.58 2ri8B1 PRO 2408 HD3 -0.28 0.20 0.11 -0.04 3.65 3.64 2ri8B1 GLU 2409 H 0.26 0.10 -0.07 -0.55 8.60 8.35 2ri8B1 GLU 2409 HA 0.13 0.10 0.23 -0.75 4.29 4.00 2ri8B1 GLU 2409 HB2 0.24 0.10 -0.09 -0.04 2.09 2.31 2ri8B1 GLU 2409 HB3 0.21 -0.01 -0.15 -0.04 1.99 1.99 2ri8B1 GLU 2409 HG2 0.22 0.19 0.11 -0.04 2.34 2.82 2ri8B1 GLU 2409 HG3 0.15 0.04 0.02 -0.04 2.34 2.51 2ri8B1 VAL 2410 H 0.02 0.08 -0.34 -0.55 8.24 7.46 2ri8B1 VAL 2410 HA -0.41 0.18 0.55 -0.75 4.13 3.69 2ri8B1 VAL 2410 HB -0.52 -0.01 0.00 -0.04 2.12 1.55 2ri8B1 VAL 2410 HG13 -1.37 0.03 -0.17 -0.04 0.97 -0.58 2ri8B1 VAL 2410 HG23 -0.45 0.00 -0.04 -0.04 0.95 0.42 2ri8B1 ILE 2411 H -0.09 0.10 -0.14 -0.55 8.25 7.57 2ri8B1 ILE 2411 HA -0.03 0.09 0.36 -0.75 4.18 3.85 2ri8B1 ILE 2411 HB 0.13 0.05 0.04 -0.04 1.89 2.06 2ri8B1 ILE 2411 HG12 0.17 0.06 0.03 -0.04 1.49 1.71 2ri8B1 ILE 2411 HG13 0.08 -0.12 0.01 -0.04 1.21 1.15 2ri8B1 ILE 2411 HG23 0.19 0.02 -0.15 -0.04 0.93 0.95 2ri8B1 ILE 2411 HD13 0.22 0.02 -0.04 -0.04 0.88 1.04 2ri8B1 GLU 2412 H -0.09 0.29 -0.51 -0.55 8.60 7.74 2ri8B1 GLU 2412 HA -0.74 0.10 0.41 -0.75 4.29 3.29 2ri8B1 GLU 2412 HB2 -0.21 0.02 -0.05 -0.04 2.09 1.81 2ri8B1 GLU 2412 HB3 -0.02 0.09 0.07 -0.04 1.99 2.09 2ri8B1 GLU 2412 HG2 0.15 -0.01 -0.29 -0.04 2.34 2.15 2ri8B1 GLU 2412 HG3 -0.46 0.03 -0.07 -0.04 2.34 1.79 2ri8B1 SER 2413 H -0.07 0.46 -0.04 -0.55 8.46 8.27 2ri8B1 SER 2413 HA 0.20 -0.00 0.48 -0.75 4.49 4.41 2ri8B1 SER 2413 HB2 -0.08 0.16 0.18 -0.04 3.95 4.16 2ri8B1 SER 2413 HB3 0.04 -0.08 0.03 -0.04 3.93 3.88 2ri8B1 PHE 2414 H 0.00 0.45 -0.37 -0.55 8.34 7.87 2ri8B1 PHE 2414 HA 0.09 0.00 0.40 -0.75 4.62 4.36 2ri8B1 PHE 2414 HB2 0.11 0.09 0.07 -0.04 3.15 3.38 2ri8B1 PHE 2414 HB3 0.19 0.07 -0.07 -0.04 3.06 3.21 2ri8B1 PHE 2414 HD2 0.14 -0.04 -0.20 -0.04 7.28 7.14 2ri8B1 PHE 2414 HE2 -0.06 0.06 -0.08 -0.04 7.38 7.26 2ri8B1 PHE 2414 HZ -0.30 -0.04 -0.06 -0.04 7.32 6.88 2ri8B1 TYR 2415 H 0.21 0.42 -0.29 -0.55 8.29 8.08 2ri8B1 TYR 2415 HA 0.07 0.06 0.43 -0.75 4.56 4.37 2ri8B1 TYR 2415 HB2 -0.02 0.08 0.10 -0.04 3.06 3.17 2ri8B1 TYR 2415 HB3 -0.30 0.13 0.21 -0.04 2.98 2.98 2ri8B1 TYR 2415 HD2 -0.38 0.02 -0.07 -0.04 7.15 6.68 2ri8B1 TYR 2415 HE2 -0.23 0.05 -0.17 -0.04 6.85 6.46 2ri8B1 TYR 2416 H 0.13 0.38 -0.15 -0.55 8.29 8.09 2ri8B1 TYR 2416 HA -0.29 0.10 0.44 -0.75 4.56 4.05 2ri8B1 TYR 2416 HB2 -0.03 -0.00 0.14 -0.04 3.06 3.13 2ri8B1 TYR 2416 HB3 -0.04 -0.02 -0.05 -0.04 2.98 2.83 2ri8B1 TYR 2416 HD2 -0.02 0.01 -0.08 -0.04 7.15 7.03 2ri8B1 TYR 2416 HE2 0.08 -0.03 -0.07 -0.04 6.85 6.80 2ri8B1 ALA 2417 H 0.04 0.50 -0.29 -0.55 8.40 8.09 2ri8B1 ALA 2417 HA -0.19 -0.01 0.35 -0.75 4.34 3.73 2ri8B1 ALA 2417 HB3 -0.57 0.06 0.09 -0.04 1.41 0.94 2ri8B1 HIS 2418 H 0.01 0.38 -0.46 -0.55 8.41 7.80 2ri8B1 HIS 2418 HA 0.06 -0.01 0.60 -0.75 4.63 4.52 2ri8B1 HIS 2418 HB2 0.06 -0.15 -0.05 -0.04 3.26 3.09 2ri8B1 HIS 2418 HB3 -0.07 0.17 0.04 -0.04 3.20 3.30 2ri8B1 HIS 2418 HD2 -0.09 0.06 -0.13 -0.04 6.97 6.77 2ri8B1 HIS 2418 HE1 -0.07 -0.01 -0.05 -0.04 7.75 7.57 2ri8B1 ARG 2419 H -0.22 0.35 -0.15 -0.55 8.46 7.88 2ri8B1 ARG 2419 HA -0.30 0.10 0.51 -0.75 4.34 3.90 2ri8B1 ARG 2419 HB2 -0.24 -0.03 0.04 -0.04 1.90 1.62 2ri8B1 ARG 2419 HB3 -0.17 0.14 -0.03 -0.04 1.80 1.69 2ri8B1 ARG 2419 HG2 -0.78 0.29 0.10 -0.04 1.67 1.24 2ri8B1 ARG 2419 HG3 -0.96 -0.14 -0.02 -0.04 1.67 0.51 2ri8B1 ARG 2419 HD2 -0.16 -0.02 -0.07 -0.04 3.22 2.92 2ri8B1 ARG 2419 HD3 -0.10 0.00 -0.06 -0.04 3.22 3.02 2ri8B1 VAL 2420 H -0.10 0.36 -0.24 -0.55 8.24 7.71 2ri8B1 VAL 2420 HA -0.04 0.15 0.69 -0.75 4.13 4.18 2ri8B1 VAL 2420 HB -0.03 0.02 0.07 -0.04 2.12 2.14 2ri8B1 VAL 2420 HG13 0.01 -0.03 -0.09 -0.04 0.97 0.82 2ri8B1 VAL 2420 HG23 0.04 0.02 -0.10 -0.04 0.95 0.87 2ri8B1 THR 2421 H -0.07 0.41 0.01 -0.55 8.28 8.08 2ri8B1 THR 2421 HA -0.01 0.14 0.65 -0.75 4.39 4.41 2ri8B1 THR 2421 HB 0.08 -0.06 0.11 -0.04 4.32 4.41 2ri8B1 THR 2421 HG23 -0.03 0.00 0.07 -0.04 1.22 1.22 2ri8B1 GLY 2422 H -0.14 0.28 -0.11 -0.55 8.43 7.92 2ri8B1 GLY 2422 HA2 -0.31 0.20 0.33 -0.51 4.01 3.72 2ri8B1 GLY 2422 HA3 -0.11 0.10 0.54 -0.51 4.01 4.03 2ri8B1 LYS 2423 H 0.06 -0.01 -0.53 -0.55 8.42 7.39 2ri8B1 LYS 2423 HA -0.05 0.08 0.44 -0.75 4.32 4.03 2ri8B1 LYS 2423 HB2 -0.02 -0.02 0.06 -0.04 1.87 1.85 2ri8B1 LYS 2423 HB3 -0.28 -0.13 0.04 -0.04 1.79 1.38 2ri8B1 LYS 2423 HG2 0.02 0.12 -0.04 -0.04 1.46 1.52 2ri8B1 LYS 2423 HG3 0.00 0.01 0.02 -0.04 1.46 1.44 2ri8B1 LYS 2423 HD2 -0.04 0.04 0.01 -0.04 1.69 1.65 2ri8B1 LYS 2423 HD3 -0.11 -0.06 0.04 -0.04 1.68 1.51 2ri8B1 LYS 2423 HE2 -0.06 -0.04 0.00 -0.04 2.99 2.86 2ri8B1 LYS 2423 HE3 -0.03 0.13 -0.10 -0.04 2.99 2.95 2ri8B1 GLU 2424 H -0.11 0.16 0.21 -0.55 8.60 8.32 2ri8B1 GLU 2424 HA -0.04 0.19 0.52 -0.75 4.29 4.21 2ri8B1 GLU 2424 HB2 -0.06 0.08 0.18 -0.04 2.09 2.24 2ri8B1 GLU 2424 HB3 -0.12 -0.01 0.06 -0.04 1.99 1.88 2ri8B1 GLU 2424 HG2 -0.07 0.02 0.05 -0.04 2.34 2.31 2ri8B1 GLU 2424 HG3 -0.11 -0.07 0.09 -0.04 2.34 2.21 2ri8B1 ILE 2425 H -0.42 0.11 -0.16 -0.55 8.25 7.22 2ri8B1 ILE 2425 HA -0.42 0.10 0.37 -0.75 4.18 3.48 2ri8B1 ILE 2425 HB -0.48 0.02 0.07 -0.04 1.89 1.47 2ri8B1 ILE 2425 HG12 -1.71 -0.02 -0.04 -0.04 1.49 -0.32 2ri8B1 ILE 2425 HG13 -0.46 0.02 0.05 -0.04 1.21 0.78 2ri8B1 ILE 2425 HG23 -1.24 0.01 -0.10 -0.04 0.93 -0.44 2ri8B1 ILE 2425 HD13 -0.41 0.02 -0.03 -0.04 0.88 0.42 2ri8B1 TYR 2426 H -0.57 0.24 -0.42 -0.55 8.29 6.99 2ri8B1 TYR 2426 HA -0.60 0.07 0.50 -0.75 4.56 3.78 2ri8B1 TYR 2426 HB2 -0.05 0.13 -0.03 -0.04 3.06 3.07 2ri8B1 TYR 2426 HB3 -0.06 0.17 -0.00 -0.04 2.98 3.04 2ri8B1 TYR 2426 HD2 -0.31 0.06 -0.09 -0.04 7.15 6.77 2ri8B1 TYR 2426 HE2 -0.21 0.01 -0.03 -0.04 6.85 6.58 2ri8B1 ARG 2427 H -0.20 0.24 -0.13 -0.55 8.46 7.82 2ri8B1 ARG 2427 HA -0.16 0.10 0.46 -0.75 4.34 3.98 2ri8B1 ARG 2427 HB2 -0.93 0.10 0.14 -0.04 1.90 1.17 2ri8B1 ARG 2427 HB3 -0.35 0.06 0.17 -0.04 1.80 1.64 2ri8B1 ARG 2427 HG2 -0.18 -0.08 -0.15 -0.04 1.67 1.23 2ri8B1 ARG 2427 HG3 -0.51 -0.08 0.01 -0.04 1.67 1.06 2ri8B1 ARG 2427 HD2 -0.52 -0.11 0.07 -0.04 3.22 2.62 2ri8B1 ARG 2427 HD3 -0.64 0.62 0.22 -0.04 3.22 3.38 2ri8B1 ASP 2428 H -0.14 0.31 -0.34 -0.55 8.40 7.67 2ri8B1 ASP 2428 HA 0.22 0.05 0.41 -0.75 4.63 4.55 2ri8B1 ASP 2428 HB2 -0.12 0.15 0.11 -0.04 2.71 2.81 2ri8B1 ASP 2428 HB3 0.14 -0.02 -0.00 -0.04 2.70 2.77 2ri8B1 TRP 2429 H 0.02 0.35 -0.25 -0.55 7.97 7.55 2ri8B1 TRP 2429 HA -0.04 0.06 0.49 -0.75 4.62 4.38 2ri8B1 TRP 2429 HB2 -0.62 0.10 0.13 -0.04 3.23 2.80 2ri8B1 TRP 2429 HB3 -0.83 -0.06 0.04 -0.04 3.23 2.34 2ri8B1 TRP 2429 HD1 -0.08 -0.06 -0.14 -0.04 7.22 6.90 2ri8B1 TRP 2429 HE1 -0.09 -0.01 -0.02 -0.04 10.20 10.03 2ri8B1 TRP 2429 HE3 -0.87 -0.03 -0.05 -0.04 7.59 6.61 2ri8B1 TRP 2429 HZ2 -0.09 0.01 -0.04 -0.04 7.44 7.29 2ri8B1 TRP 2429 HZ3 0.04 -0.04 -0.13 -0.04 7.13 6.95 2ri8B1 TRP 2429 HH2 -0.02 0.02 -0.04 -0.04 7.19 7.11 2ri8B1 VAL 2430 H 0.26 0.36 -0.43 -0.55 8.24 7.88 2ri8B1 VAL 2430 HA 0.44 -0.02 0.46 -0.75 4.13 4.26 2ri8B1 VAL 2430 HB 0.27 0.23 0.15 -0.04 2.12 2.73 2ri8B1 VAL 2430 HG13 0.36 -0.00 -0.18 -0.04 0.97 1.11 2ri8B1 VAL 2430 HG23 0.34 -0.00 -0.04 -0.04 0.95 1.21 2ri8B1 TRP 2431 H 0.51 0.41 -0.13 -0.55 7.97 8.21 2ri8B1 TRP 2431 HA 0.26 0.05 0.43 -0.75 4.62 4.60 2ri8B1 TRP 2431 HB2 0.27 0.08 0.08 -0.04 3.23 3.62 2ri8B1 TRP 2431 HB3 0.18 0.08 0.15 -0.04 3.23 3.59 2ri8B1 TRP 2431 HD1 0.10 0.02 -0.12 -0.04 7.22 7.18 2ri8B1 TRP 2431 HE1 0.07 -0.00 -0.06 -0.04 10.20 10.17 2ri8B1 TRP 2431 HE3 -0.39 0.06 -0.06 -0.04 7.59 7.17 2ri8B1 TRP 2431 HZ2 0.08 0.00 -0.04 -0.04 7.44 7.44 2ri8B1 TRP 2431 HZ3 -0.18 0.18 -0.04 -0.04 7.13 7.05 2ri8B1 TRP 2431 HH2 0.11 0.00 -0.01 -0.04 7.19 7.25 2ri8B1 ASN 2432 H 0.31 0.49 -0.20 -0.55 8.53 8.58 2ri8B1 ASN 2432 HA 0.00 0.04 0.40 -0.75 4.76 4.45 2ri8B1 ASN 2432 HB2 0.18 0.05 0.12 -0.04 2.88 3.19 2ri8B1 ASN 2432 HB3 0.09 0.01 0.02 -0.04 2.79 2.87 2ri8B1 ASN 2432 HD21 0.23 -0.06 -0.05 -0.04 7.03 7.11 2ri8B1 ASN 2432 HD22 0.18 -0.01 -0.03 -0.04 7.74 7.84 2ri8B1 ALA 2433 H 0.21 0.36 -0.30 -0.55 8.40 8.13 2ri8B1 ALA 2433 HA 0.17 0.17 0.50 -0.75 4.34 4.42 2ri8B1 ALA 2433 HB3 0.26 0.01 0.12 -0.04 1.41 1.76 2ri8B1 PHE 2434 H 0.22 0.62 -0.08 -0.55 8.34 8.54 2ri8B1 PHE 2434 HA -0.05 -0.05 0.36 -0.75 4.62 4.12 2ri8B1 PHE 2434 HB2 0.02 0.00 0.09 -0.04 3.15 3.23 2ri8B1 PHE 2434 HB3 -0.21 0.09 0.14 -0.04 3.06 3.04 2ri8B1 PHE 2434 HD2 -0.53 0.00 -0.08 -0.04 7.28 6.63 2ri8B1 PHE 2434 HE2 -0.16 -0.02 -0.11 -0.04 7.38 7.05 2ri8B1 PHE 2434 HZ 0.02 0.07 -0.05 -0.04 7.32 7.31 2ri8B1 VAL 2435 H -0.33 0.54 -0.31 -0.55 8.24 7.59 2ri8B1 VAL 2435 HA -0.66 0.01 0.46 -0.75 4.13 3.18 2ri8B1 VAL 2435 HB -0.33 0.12 0.15 -0.04 2.12 2.02 2ri8B1 VAL 2435 HG13 -0.16 -0.01 -0.17 -0.04 0.97 0.58 2ri8B1 VAL 2435 HG23 -0.88 0.00 0.01 -0.04 0.95 0.05 2ri8B1 ALA 2436 H -0.15 0.54 -0.14 -0.55 8.40 8.10 2ri8B1 ALA 2436 HA -0.10 0.02 0.44 -0.75 4.34 3.94 2ri8B1 ALA 2436 HB3 -0.07 0.05 0.12 -0.04 1.41 1.48 2ri8B1 ILE 2437 H -0.17 0.55 -0.18 -0.55 8.25 7.91 2ri8B1 ILE 2437 HA -0.08 -0.03 0.35 -0.75 4.18 3.66 2ri8B1 ILE 2437 HB -0.20 0.17 0.11 -0.04 1.89 1.92 2ri8B1 ILE 2437 HG12 -0.12 -0.12 -0.01 -0.04 1.49 1.20 2ri8B1 ILE 2437 HG13 -0.11 0.20 0.05 -0.04 1.21 1.31 2ri8B1 ILE 2437 HG23 -0.05 -0.03 -0.17 -0.04 0.93 0.64 2ri8B1 ILE 2437 HD13 0.12 -0.04 -0.11 -0.04 0.88 0.81 2ri8B1 ASN 2438 H -0.41 0.55 -0.13 -0.55 8.53 7.99 2ri8B1 ASN 2438 HA 0.10 -0.04 0.37 -0.75 4.76 4.43 2ri8B1 ASN 2438 HB2 -0.72 0.04 0.13 -0.04 2.88 2.29 2ri8B1 ASN 2438 HB3 -0.40 0.10 0.11 -0.04 2.79 2.56 2ri8B1 ASN 2438 HD21 -0.04 -0.04 -0.06 -0.04 7.03 6.85 2ri8B1 ASN 2438 HD22 -0.14 0.03 -0.12 -0.04 7.74 7.47 2ri8B1 SER 2439 H -0.12 0.42 -0.31 -0.55 8.46 7.90 2ri8B1 SER 2439 HA -0.04 0.15 0.87 -0.75 4.49 4.72 2ri8B1 SER 2439 HB2 -0.04 -0.06 0.05 -0.04 3.95 3.85 2ri8B1 SER 2439 HB3 -0.06 -0.05 0.04 -0.04 3.93 3.81 2ri8B1 THR 2440 H -0.04 0.46 0.05 -0.55 8.28 8.20 2ri8B1 THR 2440 HA -0.00 0.08 0.67 -0.75 4.39 4.37 2ri8B1 THR 2440 HB -0.02 -0.03 0.04 -0.04 4.32 4.27 2ri8B1 THR 2440 HG23 0.01 -0.06 -0.28 -0.04 1.22 0.85 2ri8B1 CYS 2441 H 0.06 0.64 0.15 -0.55 8.50 8.81 2ri8B1 CYS 2441 HA 0.09 0.22 0.87 -0.75 4.58 5.01 2ri8B1 CYS 2441 HB2 0.22 0.10 0.09 -0.04 2.97 3.33 2ri8B1 CYS 2441 HB3 0.21 -0.12 0.14 -0.04 2.97 3.16 2ri8B1 ARG 2442 H 0.11 0.20 -0.18 -0.55 8.46 8.04 2ri8B1 ARG 2442 HA -0.22 0.03 0.61 -0.75 4.34 4.01 2ri8B1 ARG 2442 HB2 0.12 -0.02 0.19 -0.04 1.90 2.15 2ri8B1 ARG 2442 HB3 -0.05 0.05 0.12 -0.04 1.80 1.88 2ri8B1 ARG 2442 HG2 -0.24 -0.01 -0.14 -0.04 1.67 1.23 2ri8B1 ARG 2442 HG3 -0.56 0.08 0.12 -0.04 1.67 1.26 2ri8B1 ARG 2442 HD2 -0.10 -0.09 0.04 -0.04 3.22 3.04 2ri8B1 ARG 2442 HD3 -0.15 0.05 0.04 -0.04 3.22 3.13 2ri8B1 THR 2443 H -0.18 0.70 0.34 -0.55 8.28 8.60 2ri8B1 THR 2443 HA -0.03 0.23 0.82 -0.75 4.39 4.65 2ri8B1 THR 2443 HB -0.04 -0.03 0.17 -0.04 4.32 4.38 2ri8B1 THR 2443 HG23 -0.02 0.03 -0.25 -0.04 1.22 0.94 2ri8B1 ASP 2444 H -0.02 0.17 0.14 -0.55 8.40 8.15 2ri8B1 ASP 2444 HA 0.08 0.12 0.40 -0.75 4.63 4.47 2ri8B1 ASP 2444 HB2 -0.02 -0.01 0.09 -0.04 2.71 2.74 2ri8B1 ASP 2444 HB3 0.04 0.03 0.01 -0.04 2.70 2.73 2ri8B1 SER 2445 H -0.06 0.03 -0.22 -0.55 8.46 7.66 2ri8B1 SER 2445 HA -0.05 0.27 0.98 -0.75 4.49 4.94 2ri8B1 SER 2445 HB2 0.04 -0.05 -0.02 -0.04 3.95 3.87 2ri8B1 SER 2445 HB3 -0.06 0.06 -0.04 -0.04 3.93 3.85 2ri8B1 GLY 2446 H -0.14 0.05 -0.20 -0.55 8.43 7.59 2ri8B1 GLY 2446 HA2 -0.49 0.12 0.24 -0.51 4.01 3.38 2ri8B1 GLY 2446 HA3 -0.16 -0.04 0.39 -0.51 4.01 3.69 2ri8B1 PHE 2447 H 0.01 0.16 0.12 -0.55 8.34 8.08 2ri8B1 PHE 2447 HA 0.03 0.31 0.79 -0.75 4.62 5.00 2ri8B1 PHE 2447 HB2 -0.06 -0.10 -0.02 -0.04 3.15 2.93 2ri8B1 PHE 2447 HB3 0.00 0.05 -0.10 -0.04 3.06 2.97 2ri8B1 PHE 2447 HD2 -0.04 -0.04 -0.18 -0.04 7.28 6.99 2ri8B1 PHE 2447 HE2 0.04 0.14 -0.02 -0.04 7.38 7.50 2ri8B1 PHE 2447 HZ 0.09 0.00 0.00 -0.04 7.32 7.37 2ri8B1 ALA 2448 H 0.13 0.73 0.23 -0.55 8.40 8.93 2ri8B1 ALA 2448 HA 0.03 0.19 1.05 -0.75 4.34 4.85 2ri8B1 ALA 2448 HB3 0.04 0.05 0.04 -0.04 1.41 1.50 2ri8B1 ALA 2449 H -0.05 0.25 0.29 -0.55 8.40 8.34 2ri8B1 ALA 2449 HA -0.11 0.09 0.63 -0.75 4.34 4.20 2ri8B1 ALA 2449 HB3 -0.55 -0.05 0.10 -0.04 1.41 0.88 2ri8B1 VAL 2450 H 0.01 0.43 0.39 -0.55 8.24 8.51 2ri8B1 VAL 2450 HA 0.24 0.26 1.08 -0.75 4.13 4.96 2ri8B1 VAL 2450 HB 0.11 0.21 0.05 -0.04 2.12 2.45 2ri8B1 VAL 2450 HG13 0.10 0.05 -0.23 -0.04 0.97 0.84 2ri8B1 VAL 2450 HG23 0.15 -0.04 -0.01 -0.04 0.95 1.01 2ri8B1 SER 2451 H 0.18 0.68 0.35 -0.55 8.46 9.12 2ri8B1 SER 2451 HA 0.32 -0.02 0.60 -0.75 4.49 4.64 2ri8B1 SER 2451 HB2 0.04 -0.06 0.08 -0.04 3.95 3.96 2ri8B1 SER 2451 HB3 -0.01 0.04 0.09 -0.04 3.93 4.00 2ri8B1 ASP 2452 H 0.08 0.79 0.02 -0.55 8.40 8.75 2ri8B1 ASP 2452 HA 0.07 0.17 0.85 -0.75 4.63 4.97 2ri8B1 ASP 2452 HB2 0.03 -0.01 -0.27 -0.04 2.71 2.43 2ri8B1 ASP 2452 HB3 0.02 -0.01 -0.13 -0.04 2.70 2.54 2ri8B1 VAL 2453 H 0.06 0.65 0.21 -0.55 8.24 8.61 2ri8B1 VAL 2453 HA 0.00 0.09 0.30 -0.75 4.13 3.76 2ri8B1 VAL 2453 HB -0.07 0.12 0.09 -0.04 2.12 2.22 2ri8B1 VAL 2453 HG13 0.02 0.07 -0.28 -0.04 0.97 0.74 2ri8B1 VAL 2453 HG23 0.03 -0.03 -0.16 -0.04 0.95 0.75 2ri8B1 ASN 2454 H -0.00 0.06 -0.64 -0.55 8.53 7.40 2ri8B1 ASN 2454 HA -0.03 0.00 1.08 -0.75 4.76 5.06 2ri8B1 ASN 2454 HB2 -0.07 0.00 -0.01 -0.04 2.88 2.77 2ri8B1 ASN 2454 HB3 -0.10 0.02 0.16 -0.04 2.79 2.83 2ri8B1 ASN 2454 HD21 -0.33 0.08 0.09 -0.04 7.03 6.83 2ri8B1 ASN 2454 HD22 -0.30 -0.03 0.10 -0.04 7.74 7.47 2ri8B1 LYS 2455 H -0.01 0.37 -0.20 -0.55 8.42 8.02 2ri8B1 LYS 2455 HA -0.02 0.11 0.60 -0.75 4.32 4.26 2ri8B1 LYS 2455 HB2 0.00 0.03 -0.11 -0.04 1.87 1.75 2ri8B1 LYS 2455 HB3 -0.01 0.05 0.03 -0.04 1.79 1.83 2ri8B1 LYS 2455 HG2 -0.02 0.06 0.09 -0.04 1.46 1.55 2ri8B1 LYS 2455 HG3 -0.02 -0.06 -0.59 -0.04 1.46 0.75 2ri8B1 LYS 2455 HD2 -0.01 -0.00 -0.06 -0.04 1.69 1.58 2ri8B1 LYS 2455 HD3 0.00 -0.06 -0.11 -0.04 1.68 1.48 2ri8B1 LYS 2455 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.96 2ri8B1 LYS 2455 HE3 -0.01 0.02 0.01 -0.04 2.99 2.98 2ri8B1 ALA 2456 H -0.01 0.14 0.12 -0.55 8.40 8.11 2ri8B1 ALA 2456 HA -0.01 0.05 0.37 -0.75 4.34 4.00 2ri8B1 ALA 2456 HB3 -0.00 0.03 0.11 -0.04 1.41 1.50 2ri8B1 ASN 2457 H -0.01 0.14 0.19 -0.55 8.53 8.31 2ri8B1 ASN 2457 HA -0.00 0.08 0.38 -0.75 4.76 4.47 2ri8B1 ASN 2457 HB2 0.01 0.12 -0.01 -0.04 2.88 2.96 2ri8B1 ASN 2457 HB3 0.01 0.09 0.17 -0.04 2.79 3.02 2ri8B1 ASN 2457 HD21 -0.00 -0.03 -0.07 -0.04 7.03 6.89 2ri8B1 ASN 2457 HD22 -0.00 0.06 -0.12 -0.04 7.74 7.64 2ri8B1 GLY 2458 H 0.00 0.59 -0.37 -0.55 8.43 8.10 2ri8B1 GLY 2458 HA2 0.02 0.13 0.27 -0.51 4.01 3.92 2ri8B1 GLY 2458 HA3 0.04 0.00 0.29 -0.51 4.01 3.82 2ri8B1 GLY 2459 H 0.01 0.50 -0.31 -0.55 8.43 8.08 2ri8B1 GLY 2459 HA2 0.01 -0.01 0.27 -0.51 4.01 3.77 2ri8B1 GLY 2459 HA3 0.03 -0.09 0.64 -0.51 4.01 4.08 2ri8B1 SER 2460 H 0.04 0.05 0.27 -0.55 8.46 8.27 2ri8B1 SER 2460 HA 0.01 0.24 0.89 -0.75 4.49 4.88 2ri8B1 SER 2460 HB2 -0.04 -0.09 0.02 -0.04 3.95 3.80 2ri8B1 SER 2460 HB3 -0.02 0.08 0.05 -0.04 3.93 3.99 2ri8B1 LYS 2461 H 0.03 0.14 0.13 -0.55 8.42 8.17 2ri8B1 LYS 2461 HA 0.15 0.24 0.81 -0.75 4.32 4.77 2ri8B1 LYS 2461 HB2 0.03 -0.09 0.07 -0.04 1.87 1.84 2ri8B1 LYS 2461 HB3 0.07 0.05 -0.01 -0.04 1.79 1.85 2ri8B1 LYS 2461 HG2 0.07 0.12 -0.02 -0.04 1.46 1.58 2ri8B1 LYS 2461 HG3 0.04 -0.00 -0.03 -0.04 1.46 1.42 2ri8B1 LYS 2461 HD2 0.01 -0.10 -0.04 -0.04 1.69 1.53 2ri8B1 LYS 2461 HD3 0.03 -0.07 -0.09 -0.04 1.68 1.50 2ri8B1 LYS 2461 HE2 0.01 0.05 -0.17 -0.04 2.99 2.84 2ri8B1 LYS 2461 HE3 0.04 0.07 -0.16 -0.04 2.99 2.89 2ri8B1 TYR 2462 H 0.31 0.72 0.24 -0.55 8.29 9.01 2ri8B1 TYR 2462 HA -0.01 0.12 0.58 -0.75 4.56 4.50 2ri8B1 TYR 2462 HB2 -0.01 -0.03 0.06 -0.04 3.06 3.04 2ri8B1 TYR 2462 HB3 -0.01 -0.06 -0.12 -0.04 2.98 2.74 2ri8B1 TYR 2462 HD2 0.00 0.07 -0.25 -0.04 7.15 6.92 2ri8B1 TYR 2462 HE2 0.01 0.02 -0.40 -0.04 6.85 6.45 2ri8B1 ASP 2463 H 0.08 0.20 0.01 -0.55 8.40 8.14 2ri8B1 ASP 2463 HA 0.02 0.04 0.62 -0.75 4.63 4.56 2ri8B1 ASP 2463 HB2 -0.01 0.10 0.06 -0.04 2.71 2.83 2ri8B1 ASP 2463 HB3 -0.00 0.04 0.21 -0.04 2.70 2.90 2ri8B1 ASN 2464 H 0.05 0.51 -0.35 -0.55 8.53 8.20 2ri8B1 ASN 2464 HA -0.00 0.12 0.64 -0.75 4.76 4.76 2ri8B1 ASN 2464 HB2 0.07 0.09 -0.25 -0.04 2.88 2.75 2ri8B1 ASN 2464 HB3 -0.00 -0.05 -0.07 -0.04 2.79 2.63 2ri8B1 ASN 2464 HD21 -0.06 -0.07 -0.10 -0.04 7.03 6.76 2ri8B1 ASN 2464 HD22 -0.01 0.09 -0.00 -0.04 7.74 7.77 2ri8B1 GLN 2465 H -0.04 0.24 0.02 -0.55 8.47 8.15 2ri8B1 GLN 2465 HA -0.09 0.13 0.71 -0.75 4.36 4.35 2ri8B1 GLN 2465 HB2 -0.01 0.18 0.01 -0.04 2.15 2.29 2ri8B1 GLN 2465 HB3 -0.01 0.01 0.17 -0.04 2.02 2.15 2ri8B1 GLN 2465 HG2 -0.11 -0.01 -0.16 -0.04 2.40 2.08 2ri8B1 GLN 2465 HG3 -0.03 0.09 0.06 -0.04 2.39 2.46 2ri8B1 GLN 2465 HE21 0.13 0.08 -0.01 -0.04 6.97 7.13 2ri8B1 GLN 2465 HE22 0.08 -0.11 0.01 -0.04 7.69 7.62 2ri8B1 GLU 2466 H -0.27 0.19 -0.01 -0.55 8.60 7.96 2ri8B1 GLU 2466 HA -0.27 0.02 0.41 -0.75 4.29 3.70 2ri8B1 GLU 2466 HB2 -1.10 0.14 0.06 -0.04 2.09 1.15 2ri8B1 GLU 2466 HB3 -1.44 -0.15 0.02 -0.04 1.99 0.38 2ri8B1 GLU 2466 HG2 -0.28 -0.02 -0.01 -0.04 2.34 1.99 2ri8B1 GLU 2466 HG3 -0.39 0.11 0.01 -0.04 2.34 2.03 2ri8B1 SER 2467 H -0.20 0.11 0.14 -0.55 8.46 7.96 2ri8B1 SER 2467 HA 0.06 0.17 0.41 -0.75 4.49 4.37 2ri8B1 SER 2467 HB2 0.04 0.12 -0.04 -0.04 3.95 4.03 2ri8B1 SER 2467 HB3 -0.03 -0.02 -0.04 -0.04 3.93 3.80 2ri8B1 PHE 2468 H -0.52 0.06 -0.29 -0.55 8.34 7.03 2ri8B1 PHE 2468 HA 0.02 0.11 0.42 -0.75 4.62 4.42 2ri8B1 PHE 2468 HB2 0.01 0.01 0.12 -0.04 3.15 3.24 2ri8B1 PHE 2468 HB3 0.00 0.04 0.06 -0.04 3.06 3.12 2ri8B1 PHE 2468 HD2 -0.01 0.09 -0.13 -0.04 7.28 7.18 2ri8B1 PHE 2468 HE2 -0.06 0.08 -0.20 -0.04 7.38 7.16 2ri8B1 PHE 2468 HZ -0.07 -0.01 -0.05 -0.04 7.32 7.15 2ri8B1 LEU 2469 H -0.12 0.41 -0.69 -0.55 8.37 7.42 2ri8B1 LEU 2469 HA 0.02 0.06 0.43 -0.75 4.35 4.11 2ri8B1 LEU 2469 HB2 -0.16 -0.00 0.04 -0.04 1.64 1.48 2ri8B1 LEU 2469 HB3 -0.33 0.03 0.05 -0.04 1.64 1.34 2ri8B1 LEU 2469 HG -0.14 -0.00 -0.06 -0.04 1.64 1.40 2ri8B1 LEU 2469 HD13 -0.65 0.01 -0.28 -0.04 0.93 -0.03 2ri8B1 LEU 2469 HD23 -0.21 -0.01 -0.05 -0.04 0.89 0.59 2ri8B1 PHE 2470 H 0.05 0.29 -0.05 -0.55 8.34 8.09 2ri8B1 PHE 2470 HA 0.06 0.10 0.46 -0.75 4.62 4.49 2ri8B1 PHE 2470 HB2 0.01 0.04 0.07 -0.04 3.15 3.23 2ri8B1 PHE 2470 HB3 0.07 0.03 -0.05 -0.04 3.06 3.07 2ri8B1 PHE 2470 HD2 -0.45 -0.02 0.05 -0.04 7.28 6.82 2ri8B1 PHE 2470 HE2 -0.24 0.01 -0.05 -0.04 7.38 7.06 2ri8B1 PHE 2470 HZ -0.04 0.11 -0.34 -0.04 7.32 7.01 2ri8B1 ALA 2471 H 0.19 0.15 -0.14 -0.55 8.40 8.04 2ri8B1 ALA 2471 HA 0.10 0.19 0.54 -0.75 4.34 4.41 2ri8B1 ALA 2471 HB3 -0.00 0.00 0.05 -0.04 1.41 1.42 2ri8B1 GLU 2472 H 0.09 0.42 -0.04 -0.55 8.60 8.52 2ri8B1 GLU 2472 HA -0.25 0.29 0.99 -0.75 4.29 4.57 2ri8B1 GLU 2472 HB2 0.10 0.01 0.06 -0.04 2.09 2.22 2ri8B1 GLU 2472 HB3 0.12 -0.04 -0.10 -0.04 1.99 1.92 2ri8B1 GLU 2472 HG2 -0.08 0.25 -0.56 -0.04 2.34 1.90 2ri8B1 GLU 2472 HG3 0.06 -0.09 -0.05 -0.04 2.34 2.22 2ri8B1 VAL 2473 H 0.12 0.40 0.12 -0.55 8.24 8.33 2ri8B1 VAL 2473 HA 0.17 0.00 0.31 -0.75 4.13 3.86 2ri8B1 VAL 2473 HB 0.06 0.13 0.15 -0.04 2.12 2.41 2ri8B1 VAL 2473 HG13 0.13 -0.00 -0.15 -0.04 0.97 0.91 2ri8B1 VAL 2473 HG23 0.18 -0.01 -0.15 -0.04 0.95 0.93 2ri8B1 MET 2474 H 0.07 0.36 -0.20 -0.55 8.47 8.17 2ri8B1 MET 2474 HA 0.08 0.07 0.41 -0.75 4.52 4.32 2ri8B1 MET 2474 HB2 0.25 0.18 0.06 -0.04 2.15 2.60 2ri8B1 MET 2474 HB3 0.27 0.00 -0.05 -0.04 2.03 2.22 2ri8B1 MET 2474 HG2 0.01 0.12 -0.01 -0.04 2.63 2.71 2ri8B1 MET 2474 HG3 0.23 -0.05 -0.04 -0.04 2.56 2.66 2ri8B1 MET 2474 HE3 -0.18 0.00 -0.25 -0.04 2.10 1.63 2ri8B1 LYS 2475 H -0.02 0.13 -0.50 -0.55 8.42 7.47 2ri8B1 LYS 2475 HA -0.03 0.09 0.44 -0.75 4.32 4.07 2ri8B1 LYS 2475 HB2 -0.12 0.05 0.06 -0.04 1.87 1.82 2ri8B1 LYS 2475 HB3 -0.30 0.09 0.12 -0.04 1.79 1.66 2ri8B1 LYS 2475 HG2 -0.25 -0.07 -0.30 -0.04 1.46 0.79 2ri8B1 LYS 2475 HG3 -0.13 -0.03 0.00 -0.04 1.46 1.26 2ri8B1 LYS 2475 HD2 -0.19 0.11 0.08 -0.04 1.69 1.65 2ri8B1 LYS 2475 HD3 0.05 -0.06 -0.02 -0.04 1.68 1.61 2ri8B1 LYS 2475 HE2 -0.13 0.03 -0.15 -0.04 2.99 2.69 2ri8B1 LYS 2475 HE3 -0.12 -0.11 -0.06 -0.04 2.99 2.66 2ri8B1 TYR 2476 H -0.14 0.55 -0.07 -0.55 8.29 8.08 2ri8B1 TYR 2476 HA -0.45 0.05 0.40 -0.75 4.56 3.81 2ri8B1 TYR 2476 HB2 -0.04 0.10 0.01 -0.04 3.06 3.09 2ri8B1 TYR 2476 HB3 -0.10 0.01 -0.14 -0.04 2.98 2.71 2ri8B1 TYR 2476 HD2 -0.48 0.00 -0.08 -0.04 7.15 6.55 2ri8B1 TYR 2476 HE2 -0.41 -0.04 -0.10 -0.04 6.85 6.26 2ri8B1 SER 2477 H 0.10 0.33 -0.40 -0.55 8.46 7.94 2ri8B1 SER 2477 HA 0.18 0.01 0.35 -0.75 4.49 4.27 2ri8B1 SER 2477 HB2 -0.07 0.10 0.08 -0.04 3.95 4.02 2ri8B1 SER 2477 HB3 -0.23 -0.05 -0.03 -0.04 3.93 3.58 2ri8B1 TYR 2478 H 0.13 0.37 -0.23 -0.55 8.29 8.01 2ri8B1 TYR 2478 HA 0.03 0.04 0.45 -0.75 4.56 4.32 2ri8B1 TYR 2478 HB2 -0.06 0.00 0.08 -0.04 3.06 3.04 2ri8B1 TYR 2478 HB3 -0.07 0.09 0.19 -0.04 2.98 3.14 2ri8B1 TYR 2478 HD2 -0.05 0.04 -0.00 -0.04 7.15 7.09 2ri8B1 TYR 2478 HE2 -0.03 0.08 -0.11 -0.04 6.85 6.75 2ri8B1 LEU 2479 H 0.03 0.71 -0.01 -0.55 8.37 8.56 2ri8B1 LEU 2479 HA -0.11 0.01 0.27 -0.75 4.35 3.77 2ri8B1 LEU 2479 HB2 -0.20 0.16 0.14 -0.04 1.64 1.70 2ri8B1 LEU 2479 HB3 -0.11 -0.02 -0.12 -0.04 1.64 1.35 2ri8B1 LEU 2479 HG 0.24 -0.05 -0.06 -0.04 1.64 1.73 2ri8B1 LEU 2479 HD13 0.11 0.00 -0.05 -0.04 0.93 0.96 2ri8B1 LEU 2479 HD23 -0.08 -0.00 -0.11 -0.04 0.89 0.66 2ri8B1 ALA 2480 H 0.08 0.36 -0.55 -0.55 8.40 7.74 2ri8B1 ALA 2480 HA 0.17 0.01 0.39 -0.75 4.34 4.15 2ri8B1 ALA 2480 HB3 0.06 0.02 0.08 -0.04 1.41 1.52 2ri8B1 HIS 2481 H -0.01 0.68 -0.36 -0.55 8.41 8.18 2ri8B1 HIS 2481 HA -0.06 0.10 0.94 -0.75 4.63 4.85 2ri8B1 HIS 2481 HB2 -0.04 0.06 0.03 -0.04 3.26 3.28 2ri8B1 HIS 2481 HB3 -0.08 0.02 0.18 -0.04 3.20 3.27 2ri8B1 HIS 2481 HD2 -0.20 -0.13 0.03 -0.04 6.97 6.63 2ri8B1 HIS 2481 HE1 0.31 -0.09 -0.10 -0.04 7.75 7.83 2ri8B1 SER 2482 H -0.19 0.24 -0.00 -0.55 8.46 7.96 2ri8B1 SER 2482 HA -0.15 0.06 0.60 -0.75 4.49 4.24 2ri8B1 SER 2482 HB2 -0.28 -0.08 0.11 -0.04 3.95 3.66 2ri8B1 SER 2482 HB3 -1.43 -0.03 -0.05 -0.04 3.93 2.37 2ri8B1 GLU 2483 H 0.00 0.08 0.12 -0.55 8.60 8.25 2ri8B1 GLU 2483 HA -0.01 0.07 0.56 -0.75 4.29 4.16 2ri8B1 GLU 2483 HB2 -0.01 0.05 0.07 -0.04 2.09 2.16 2ri8B1 GLU 2483 HB3 0.01 -0.05 0.09 -0.04 1.99 2.01 2ri8B1 GLU 2483 HG2 0.08 -0.06 0.13 -0.04 2.34 2.45 2ri8B1 GLU 2483 HG3 0.06 0.08 -0.03 -0.04 2.34 2.40 2ri8B1 ASP 2484 H -0.02 0.04 0.15 -0.55 8.40 8.03 2ri8B1 ASP 2484 HA -0.03 0.08 0.39 -0.75 4.63 4.31 2ri8B1 ASP 2484 HB2 -0.03 0.02 0.13 -0.04 2.71 2.79 2ri8B1 ASP 2484 HB3 -0.05 -0.05 0.07 -0.04 2.70 2.62 2ri8B1 ALA 2485 H -0.20 0.35 0.25 -0.55 8.40 8.25 2ri8B1 ALA 2485 HA -0.37 0.10 0.45 -0.75 4.34 3.77 2ri8B1 ALA 2485 HB3 -1.25 0.03 -0.02 -0.04 1.41 0.13 2ri8B1 ALA 2486 H -0.50 0.18 0.15 -0.55 8.40 7.69 2ri8B1 ALA 2486 HA -0.04 0.14 0.47 -0.75 4.34 4.16 2ri8B1 ALA 2486 HB3 0.08 0.02 0.08 -0.04 1.41 1.55 2ri8B1 TRP 2487 H -0.73 0.06 -0.13 -0.55 7.97 6.62 2ri8B1 TRP 2487 HA -0.72 0.08 0.34 -0.75 4.62 3.57 2ri8B1 TRP 2487 HB2 -0.42 0.00 0.02 -0.04 3.23 2.79 2ri8B1 TRP 2487 HB3 -0.65 0.00 0.00 -0.04 3.23 2.54 2ri8B1 TRP 2487 HD1 0.03 0.01 -0.53 -0.04 7.22 6.68 2ri8B1 TRP 2487 HE1 0.01 0.08 -0.10 -0.04 10.20 10.14 2ri8B1 TRP 2487 HE3 -0.15 -0.02 -0.06 -0.04 7.59 7.31 2ri8B1 TRP 2487 HZ2 0.03 0.07 -0.01 -0.04 7.44 7.49 2ri8B1 TRP 2487 HZ3 -0.03 0.06 -0.20 -0.04 7.13 6.93 2ri8B1 TRP 2487 HH2 0.00 0.04 -0.03 -0.04 7.19 7.16 2ri8B1 GLN 2488 H -0.13 0.12 -0.70 -0.55 8.47 7.22 2ri8B1 GLN 2488 HA 0.44 0.02 0.45 -0.75 4.36 4.52 2ri8B1 GLN 2488 HB2 0.01 0.14 0.07 -0.04 2.15 2.33 2ri8B1 GLN 2488 HB3 0.15 0.08 -0.02 -0.04 2.02 2.19 2ri8B1 GLN 2488 HG2 0.26 -0.09 -0.12 -0.04 2.40 2.41 2ri8B1 GLN 2488 HG3 0.00 -0.14 0.05 -0.04 2.39 2.27 2ri8B1 GLN 2488 HE21 0.12 0.36 -0.09 -0.04 6.97 7.32 2ri8B1 GLN 2488 HE22 0.14 0.22 -0.33 -0.04 7.69 7.68 2ri8B1 VAL 2489 H 0.36 0.06 0.09 -0.55 8.24 8.19 2ri8B1 VAL 2489 HA 0.28 0.07 0.44 -0.75 4.13 4.16 2ri8B1 VAL 2489 HB -0.12 -0.02 0.05 -0.04 2.12 1.99 2ri8B1 VAL 2489 HG13 0.25 0.01 -0.11 -0.04 0.97 1.09 2ri8B1 VAL 2489 HG23 0.13 -0.01 -0.01 -0.04 0.95 1.01 2ri8B1 GLN 2490 H 0.14 0.10 0.15 -0.55 8.47 8.31 2ri8B1 GLN 2490 HA 0.02 0.26 0.90 -0.75 4.36 4.78 2ri8B1 GLN 2490 HB2 0.06 -0.09 -0.16 -0.04 2.15 1.92 2ri8B1 GLN 2490 HB3 0.03 -0.06 0.05 -0.04 2.02 2.00 2ri8B1 GLN 2490 HG2 0.11 0.12 -0.18 -0.04 2.40 2.40 2ri8B1 GLN 2490 HG3 0.06 0.04 -0.21 -0.04 2.39 2.24 2ri8B1 GLN 2490 HE21 -0.02 -0.11 -0.07 -0.04 6.97 6.72 2ri8B1 GLN 2490 HE22 0.03 0.18 -0.03 -0.04 7.69 7.83 2ri8B1 LYS 2491 H 0.01 0.13 0.13 -0.55 8.42 8.14 2ri8B1 LYS 2491 HA 0.03 0.15 0.74 -0.75 4.32 4.48 2ri8B1 LYS 2491 HB2 -0.00 -0.03 0.11 -0.04 1.87 1.91 2ri8B1 LYS 2491 HB3 0.01 -0.03 0.09 -0.04 1.79 1.82 2ri8B1 LYS 2491 HG2 -0.00 -0.06 0.10 -0.04 1.46 1.45 2ri8B1 LYS 2491 HG3 -0.02 0.12 -0.03 -0.04 1.46 1.48 2ri8B1 LYS 2491 HD2 -0.02 -0.09 0.05 -0.04 1.69 1.60 2ri8B1 LYS 2491 HD3 -0.04 0.23 0.06 -0.04 1.68 1.89 2ri8B1 LYS 2491 HE2 -0.05 0.10 0.04 -0.04 2.99 3.05 2ri8B1 LYS 2491 HE3 -0.02 -0.10 0.04 -0.04 2.99 2.86 2ri8B1 GLY 2492 H 0.03 0.12 0.07 -0.55 8.43 8.10 2ri8B1 GLY 2492 HA2 0.04 0.34 0.39 -0.51 4.01 4.27 2ri8B1 GLY 2492 HA3 0.02 -0.06 0.41 -0.51 4.01 3.87 2ri8B1 GLY 2493 H 0.01 0.11 0.16 -0.55 8.43 8.18 2ri8B1 GLY 2493 HA2 0.01 0.21 0.85 -0.51 4.01 4.57 2ri8B1 GLY 2493 HA3 0.00 -0.00 0.40 -0.51 4.01 3.90 2ri8B1 LYS 2494 H 0.02 0.42 -0.31 -0.55 8.42 8.00 2ri8B1 LYS 2494 HA 0.00 0.13 0.61 -0.75 4.32 4.30 2ri8B1 LYS 2494 HB2 0.02 0.04 0.05 -0.04 1.87 1.94 2ri8B1 LYS 2494 HB3 0.01 -0.03 0.05 -0.04 1.79 1.78 2ri8B1 LYS 2494 HG2 -0.00 -0.02 -0.01 -0.04 1.46 1.39 2ri8B1 LYS 2494 HG3 0.01 -0.04 0.02 -0.04 1.46 1.41 2ri8B1 LYS 2494 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.59 2ri8B1 LYS 2494 HD3 0.00 -0.06 0.05 -0.04 1.68 1.63 2ri8B1 LYS 2494 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 2ri8B1 LYS 2494 HE3 -0.00 0.03 0.01 -0.04 2.99 2.98 2ri8B1 ASN 2495 H 0.04 0.09 -0.22 -0.55 8.53 7.89 2ri8B1 ASN 2495 HA 0.09 0.02 0.42 -0.75 4.76 4.53 2ri8B1 ASN 2495 HB2 0.06 0.02 0.06 -0.04 2.88 2.98 2ri8B1 ASN 2495 HB3 0.11 0.16 0.01 -0.04 2.79 3.04 2ri8B1 ASN 2495 HD21 0.11 0.24 0.02 -0.04 7.03 7.36 2ri8B1 ASN 2495 HD22 0.07 0.07 -0.07 -0.04 7.74 7.77 2ri8B1 THR 2496 H 0.12 0.19 0.28 -0.55 8.28 8.31 2ri8B1 THR 2496 HA -0.08 0.22 0.83 -0.75 4.39 4.61 2ri8B1 THR 2496 HB -0.13 -0.04 0.17 -0.04 4.32 4.28 2ri8B1 THR 2496 HG23 -0.02 0.05 -0.02 -0.04 1.22 1.20 2ri8B1 PHE 2497 H 0.19 0.08 0.07 -0.55 8.34 8.13 2ri8B1 PHE 2497 HA 0.04 0.26 0.84 -0.75 4.62 5.01 2ri8B1 PHE 2497 HB2 0.10 0.15 -0.04 -0.04 3.15 3.32 2ri8B1 PHE 2497 HB3 -0.00 -0.07 -0.20 -0.04 3.06 2.75 2ri8B1 PHE 2497 HD2 0.02 0.03 -0.51 -0.04 7.28 6.78 2ri8B1 PHE 2497 HE2 0.06 -0.03 -0.27 -0.04 7.38 7.10 2ri8B1 PHE 2497 HZ 0.11 0.07 -0.18 -0.04 7.32 7.28 2ri8B1 VAL 2498 H 0.18 0.70 0.15 -0.55 8.24 8.72 2ri8B1 VAL 2498 HA 0.25 0.12 0.79 -0.75 4.13 4.54 2ri8B1 VAL 2498 HB 0.12 0.09 -0.31 -0.04 2.12 1.98 2ri8B1 VAL 2498 HG13 0.13 0.01 -0.15 -0.04 0.97 0.92 2ri8B1 VAL 2498 HG23 0.09 0.04 -0.15 -0.04 0.95 0.89 2ri8B1 TYR 2499 H 0.51 0.15 0.00 -0.55 8.29 8.41 2ri8B1 TYR 2499 HA 0.17 0.08 0.29 -0.75 4.56 4.35 2ri8B1 TYR 2499 HB2 0.32 -0.02 0.01 -0.04 3.06 3.32 2ri8B1 TYR 2499 HB3 0.24 0.02 -0.16 -0.04 2.98 3.04 2ri8B1 TYR 2499 HD2 0.14 -0.10 -0.22 -0.04 7.15 6.93 2ri8B1 TYR 2499 HE2 0.04 0.12 -0.10 -0.04 6.85 6.86 2ri8B1 ASN 2500 H 0.19 0.29 0.01 -0.55 8.53 8.47 2ri8B1 ASN 2500 HA 0.15 0.15 0.47 -0.75 4.76 4.78 2ri8B1 ASN 2500 HB2 0.15 -0.02 0.09 -0.04 2.88 3.06 2ri8B1 ASN 2500 HB3 0.14 0.35 0.13 -0.04 2.79 3.37 2ri8B1 ASN 2500 HD21 0.18 0.23 0.11 -0.04 7.03 7.51 2ri8B1 ASN 2500 HD22 0.23 0.02 0.07 -0.04 7.74 8.02 2ri8B1 THR 2501 H 0.40 0.17 0.09 -0.55 8.28 8.40 2ri8B1 THR 2501 HA 0.24 0.20 0.41 -0.75 4.39 4.49 2ri8B1 THR 2501 HB 0.12 0.04 0.09 -0.04 4.32 4.53 2ri8B1 THR 2501 HG23 0.09 -0.01 -0.11 -0.04 1.22 1.15 2ri8B1 GLU 2502 H 0.13 0.07 -0.43 -0.55 8.60 7.82 2ri8B1 GLU 2502 HA 0.01 0.12 0.64 -0.75 4.29 4.30 2ri8B1 GLU 2502 HB2 0.05 -0.10 -0.13 -0.04 2.09 1.88 2ri8B1 GLU 2502 HB3 0.04 0.13 0.01 -0.04 1.99 2.13 2ri8B1 GLU 2502 HG2 0.12 0.07 0.01 -0.04 2.34 2.49 2ri8B1 GLU 2502 HG3 -0.10 0.02 0.08 -0.04 2.34 2.30 2ri8B1 ALA 2503 H 0.14 0.32 -0.53 -0.55 8.40 7.78 2ri8B1 ALA 2503 HA 0.28 0.07 0.14 -0.75 4.34 4.07 2ri8B1 ALA 2503 HB3 -0.33 0.05 -0.12 -0.04 1.41 0.97 2ri8B1 HIS 2504 H 0.07 -0.13 -0.34 -0.55 8.41 7.47 2ri8B1 HIS 2504 HA -0.03 0.29 0.74 -0.75 4.63 4.88 2ri8B1 HIS 2504 HB2 0.03 -0.18 -0.03 -0.04 3.26 3.04 2ri8B1 HIS 2504 HB3 -0.00 0.13 -0.13 -0.04 3.20 3.15 2ri8B1 HIS 2504 HD2 0.03 0.05 -0.07 -0.04 6.97 6.94 2ri8B1 HIS 2504 HE1 0.01 0.27 0.12 -0.04 7.75 8.11 2ri8B1 PRO 2505 HA -0.26 0.03 0.29 -0.51 4.44 3.99 2ri8B1 PRO 2505 HB2 -0.31 0.02 -0.07 -0.04 2.28 1.88 2ri8B1 PRO 2505 HB3 -0.59 0.06 -0.13 -0.04 2.02 1.33 2ri8B1 PRO 2505 HG2 -0.40 0.07 0.00 -0.04 2.03 1.66 2ri8B1 PRO 2505 HG3 -1.52 0.03 -0.09 -0.04 2.03 0.41 2ri8B1 PRO 2505 HD2 -0.12 0.07 0.14 -0.04 3.68 3.73 2ri8B1 PRO 2505 HD3 -0.09 0.37 0.19 -0.04 3.65 4.09 2ri8B1 ILE 2506 H 0.10 0.57 0.21 -0.55 8.25 8.58 2ri8B1 ILE 2506 HA 0.12 0.10 0.72 -0.75 4.18 4.36 2ri8B1 ILE 2506 HB 0.04 0.04 0.01 -0.04 1.89 1.94 2ri8B1 ILE 2506 HG12 0.04 0.10 -0.06 -0.04 1.49 1.53 2ri8B1 ILE 2506 HG13 -0.04 -0.12 -0.12 -0.04 1.21 0.89 2ri8B1 ILE 2506 HG23 -0.00 0.07 -0.11 -0.04 0.93 0.84 2ri8B1 ILE 2506 HD13 0.01 0.02 -0.21 -0.04 0.88 0.66 2ri8B1 SER 2507 H 0.02 0.08 0.09 -0.55 8.46 8.10 2ri8B1 SER 2507 HA -0.69 0.18 0.59 -0.75 4.49 3.82 2ri8B1 SER 2507 HB2 -0.08 -0.08 0.08 -0.04 3.95 3.83 2ri8B1 SER 2507 HB3 -0.23 0.16 0.02 -0.04 3.93 3.84 2ri8B1 VAL 2508 H -0.26 0.46 0.11 -0.55 8.24 8.00 2ri8B1 VAL 2508 HA -0.10 -0.04 0.43 -0.75 4.13 3.66 2ri8B1 VAL 2508 HB -0.21 0.19 0.12 -0.04 2.12 2.18 2ri8B1 VAL 2508 HG13 -0.03 -0.03 -0.43 -0.04 0.97 0.44 2ri8B1 VAL 2508 HG23 -0.16 0.07 -0.00 -0.04 0.95 0.82 2ri8B1 ALA 2509 H -0.94 0.54 0.28 -0.55 8.40 7.73 2ri8B1 ALA 2509 HA -0.31 -0.00 0.32 -0.75 4.34 3.60 2ri8B1 ALA 2509 HB3 -0.52 -0.03 0.09 -0.04 1.41 0.91 2ri8B1 ARG 2510 H -0.12 0.11 0.07 -0.55 8.46 7.96 2ri8B1 ARG 2510 HA -0.07 0.02 0.20 -0.75 4.34 3.74 2ri8B1 ARG 2510 HB2 -0.10 0.20 0.06 -0.04 1.90 2.01 2ri8B1 ARG 2510 HB3 -0.07 -0.03 0.07 -0.04 1.80 1.73 2ri8B1 ARG 2510 HG2 -0.08 -0.00 -0.02 -0.04 1.67 1.53 2ri8B1 ARG 2510 HG3 -0.12 -0.06 -0.30 -0.04 1.67 1.15 2ri8B1 ARG 2510 HD2 -0.06 -0.01 -0.01 -0.04 3.22 3.09 2ri8B1 ARG 2510 HD3 -0.08 -0.06 -0.04 -0.04 3.22 3.00