============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 82 rings ring int. center anis. iso. TYR 13 0.840 -4.007 -32.899 3.389 -99.200 -91.000 TYR 24 0.840 11.829 -40.597 16.585 -99.200 -91.000 TYR 31 0.840 -11.374 -44.239 14.214 -99.200 -91.000 PHE 42 1.000 -6.142 -31.995 13.851 -99.200 -91.000 PHE 62 1.000 8.454 -40.281 25.885 -99.200 -91.000 PHE 66 1.000 13.796 -32.984 34.018 -99.200 -91.000 PHE 69 1.000 5.291 -34.128 27.948 -99.200 -91.000 PHE 73 1.000 -2.531 -27.399 21.111 -99.200 -91.000 TRP 74 1.040 -0.052 -22.692 14.803 -99.200 -91.000 TRP6 74 1.020 -0.035 -20.325 14.656 -99.200 -91.000 TYR 80 0.840 -19.487 -15.547 24.211 -99.200 -91.000 TYR 88 0.840 -17.701 -20.125 26.407 -99.200 -91.000 HIS 90 0.900 -20.826 -22.647 35.619 -99.200 -91.000 TYR 93 0.840 -15.058 -28.524 25.116 -99.200 -91.000 TRP 105 1.040 0.503 -36.340 27.553 -99.200 -91.000 TRP6 105 1.020 -0.539 -35.549 25.584 -99.200 -91.000 TRP 116 1.040 0.147 -29.783 30.525 -99.200 -91.000 TRP6 116 1.020 0.369 -31.261 28.685 -99.200 -91.000 PHE 129 1.000 -6.451 -21.352 34.713 -99.200 -91.000 PHE 130 1.000 -4.292 -17.513 27.113 -99.200 -91.000 TYR 132 0.840 -10.228 -17.610 24.907 -99.200 -91.000 TYR 141 0.840 -5.570 -14.261 22.889 -99.200 -91.000 TRP 145 1.040 -6.960 -20.962 12.291 -99.200 -91.000 TRP6 145 1.020 -6.684 -23.204 13.020 -99.200 -91.000 PHE 146 1.000 -5.682 -19.437 21.168 -99.200 -91.000 PHE 147 1.000 2.998 -22.019 18.232 -99.200 -91.000 TYR 160 0.840 6.609 -20.579 26.988 -99.200 -91.000 PHE 185 1.000 -4.685 -35.532 18.385 -99.200 -91.000 PHE 196 1.000 -17.098 -25.325 15.079 -99.200 -91.000 TRP 198 1.040 -12.245 -25.489 12.298 -99.200 -91.000 TRP6 198 1.020 -11.886 -26.843 10.394 -99.200 -91.000 TYR 201 0.840 1.443 -26.346 10.498 -99.200 -91.000 PHE 202 1.000 -0.705 -32.892 19.487 -99.200 -91.000 PHE 205 1.000 8.654 -29.866 19.525 -99.200 -91.000 TYR 218 0.840 3.244 -16.292 16.908 -99.200 -91.000 TYR 223 0.840 6.720 -16.758 4.805 -99.200 -91.000 TYR 226 0.840 -1.730 -18.726 2.648 -99.200 -91.000 PHE 230 1.000 -11.564 -10.355 13.446 -99.200 -91.000 TRP 231 1.040 -13.360 -15.408 11.055 -99.200 -91.000 TRP6 231 1.020 -14.196 -14.539 13.100 -99.200 -91.000 TYR 237 0.840 -7.575 -12.500 -5.693 -99.200 -91.000 TYR 241 0.840 -12.927 -12.000 2.822 -99.200 -91.000 TYR 242 0.840 -20.374 -8.455 7.207 -99.200 -91.000 PHE 244 1.000 -10.706 -5.025 13.627 -99.200 -91.000 TYR 252 0.840 -20.924 0.131 11.222 -99.200 -91.000 TYR 270 0.840 -24.814 -9.996 25.294 -99.200 -91.000 TYR 276 0.840 -22.020 -14.765 34.555 -99.200 -91.000 TYR 279 0.840 -21.118 -10.186 21.008 -99.200 -91.000 TYR 283 0.840 -20.651 -12.397 11.340 -99.200 -91.000 PHE 288 1.000 -15.964 -2.809 1.957 -99.200 -91.000 TYR 303 0.840 -0.112 -4.439 -9.085 -99.200 -91.000 TYR 305 0.840 -10.023 -3.882 -10.965 -99.200 -91.000 PHE 308 1.000 -19.444 -0.255 -2.277 -99.200 -91.000 PHE 309 1.000 -21.520 -8.245 -3.410 -99.200 -91.000 TRP 315 1.040 -22.610 0.442 -7.007 -99.200 -91.000 TRP6 315 1.020 -23.176 2.632 -6.308 -99.200 -91.000 TYR 318 0.840 -14.165 3.445 -9.262 -99.200 -91.000 TYR 320 0.840 -10.000 14.331 -8.315 -99.200 -91.000 TYR 322 0.840 -5.819 14.262 -12.053 -99.200 -91.000 PHE 323 1.000 -5.205 12.282 -3.036 -99.200 -91.000 PHE 331 1.000 -16.969 8.336 -7.637 -99.200 -91.000 PHE 341 1.000 -13.291 9.651 -9.592 -99.200 -91.000 TYR 342 0.840 -4.463 7.246 -10.164 -99.200 -91.000 TYR 350 0.840 3.566 -1.418 3.357 -99.200 -91.000 TYR 356 0.840 -4.394 -14.048 12.176 -99.200 -91.000 PHE 362 1.000 -7.280 3.285 -4.350 -99.200 -91.000 HIS 378 0.900 -7.985 13.186 7.667 -99.200 -91.000 PHE 380 1.000 -11.762 13.731 4.839 -99.200 -91.000 TYR 381 0.840 -11.037 18.933 9.470 -99.200 -91.000 PHE 387 1.000 -19.323 26.812 16.151 -99.200 -91.000 TYR 390 0.840 -13.893 19.275 12.982 -99.200 -91.000 TYR 393 0.840 -17.120 11.669 5.491 -99.200 -91.000 PHE 394 1.000 -13.129 2.675 2.601 -99.200 -91.000 TRP 399 1.040 1.306 11.472 8.479 -99.200 -91.000 TRP6 399 1.020 1.064 9.826 10.144 -99.200 -91.000 TYR 400 0.840 -2.515 5.958 7.571 -99.200 -91.000 TYR 409 0.840 3.081 -1.877 9.824 -99.200 -91.000 TRP 417 1.040 -7.957 -0.783 5.840 -99.200 -91.000 TRP6 417 1.020 -10.020 0.072 6.586 -99.200 -91.000 PHE 419 1.000 -10.189 -7.278 3.162 -99.200 -91.000 TRP 426 1.040 -18.644 -13.344 15.954 -99.200 -91.000 TRP6 426 1.020 -17.300 -12.816 17.830 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nm1A1 SER 858 HA 0.01 0.02 0.08 -0.75 4.49 3.84 2nm1A1 SER 858 HB2 0.00 -0.01 -0.07 -0.04 3.95 3.84 2nm1A1 SER 858 HB3 0.01 0.01 0.03 -0.04 3.93 3.94 2nm1A1 GLU 859 H 0.00 0.29 0.07 -0.55 8.60 8.41 2nm1A1 GLU 859 HA 0.01 0.04 0.39 -0.75 4.29 3.98 2nm1A1 GLU 859 HB2 -0.01 0.04 0.12 -0.04 2.09 2.20 2nm1A1 GLU 859 HB3 -0.01 0.00 0.11 -0.04 1.99 2.05 2nm1A1 GLU 859 HG2 -0.02 0.01 -0.23 -0.04 2.34 2.05 2nm1A1 GLU 859 HG3 -0.01 -0.03 0.03 -0.04 2.34 2.29 2nm1A1 ILE 860 H 0.02 0.15 -0.21 -0.55 8.25 7.66 2nm1A1 ILE 860 HA 0.05 0.12 0.54 -0.75 4.18 4.13 2nm1A1 ILE 860 HB 0.09 0.04 0.14 -0.04 1.89 2.12 2nm1A1 ILE 860 HG12 0.02 -0.05 -0.06 -0.04 1.49 1.35 2nm1A1 ILE 860 HG13 0.05 0.06 -0.28 -0.04 1.21 0.99 2nm1A1 ILE 860 HG23 0.00 -0.00 -0.06 -0.04 0.93 0.83 2nm1A1 ILE 860 HD13 0.01 0.02 -0.04 -0.04 0.88 0.83 2nm1A1 LEU 861 H 0.07 0.42 -0.73 -0.55 8.37 7.59 2nm1A1 LEU 861 HA 0.12 0.16 0.75 -0.75 4.35 4.63 2nm1A1 LEU 861 HB2 0.04 0.12 -0.01 -0.04 1.64 1.75 2nm1A1 LEU 861 HB3 0.03 -0.03 0.13 -0.04 1.64 1.73 2nm1A1 LEU 861 HG 0.01 -0.01 -0.06 -0.04 1.64 1.54 2nm1A1 LEU 861 HD13 0.03 0.05 -0.01 -0.04 0.93 0.96 2nm1A1 LEU 861 HD23 0.03 -0.05 -0.46 -0.04 0.89 0.36 2nm1A1 ASN 862 H 0.12 0.26 0.00 -0.55 8.53 8.36 2nm1A1 ASN 862 HA 0.08 0.09 0.66 -0.75 4.76 4.84 2nm1A1 ASN 862 HB2 0.07 0.02 0.11 -0.04 2.88 3.04 2nm1A1 ASN 862 HB3 0.06 -0.05 0.04 -0.04 2.79 2.80 2nm1A1 ASN 862 HD21 0.02 -0.01 -0.12 -0.04 7.03 6.88 2nm1A1 ASN 862 HD22 0.04 -0.00 -0.07 -0.04 7.74 7.67 2nm1A1 ASN 863 H 0.09 0.17 0.17 -0.55 8.53 8.42 2nm1A1 ASN 863 HA 0.09 0.06 0.30 -0.75 4.76 4.45 2nm1A1 ASN 863 HB2 0.23 0.17 -0.04 -0.04 2.88 3.21 2nm1A1 ASN 863 HB3 0.12 -0.06 -0.01 -0.04 2.79 2.80 2nm1A1 ASN 863 HD21 0.04 -0.01 -0.05 -0.04 7.03 6.97 2nm1A1 ASN 863 HD22 0.05 0.05 0.01 -0.04 7.74 7.81 2nm1A1 ILE 864 H 0.09 0.20 -0.58 -0.55 8.25 7.41 2nm1A1 ILE 864 HA -0.44 0.14 0.67 -0.75 4.18 3.79 2nm1A1 ILE 864 HB -0.11 0.04 -0.14 -0.04 1.89 1.64 2nm1A1 ILE 864 HG12 -0.19 -0.22 -0.20 -0.04 1.49 0.83 2nm1A1 ILE 864 HG13 -0.86 0.09 0.04 -0.04 1.21 0.44 2nm1A1 ILE 864 HG23 0.01 0.01 -0.01 -0.04 0.93 0.89 2nm1A1 ILE 864 HD13 -0.12 0.02 -0.05 -0.04 0.88 0.70 2nm1A1 ILE 865 H -0.13 0.67 0.40 -0.55 8.25 8.64 2nm1A1 ILE 865 HA 0.15 0.24 0.97 -0.75 4.18 4.78 2nm1A1 ILE 865 HB -0.14 -0.05 0.06 -0.04 1.89 1.71 2nm1A1 ILE 865 HG12 0.03 -0.00 -0.28 -0.04 1.49 1.20 2nm1A1 ILE 865 HG13 0.09 -0.01 -0.27 -0.04 1.21 0.99 2nm1A1 ILE 865 HG23 -0.27 0.02 -0.17 -0.04 0.93 0.48 2nm1A1 ILE 865 HD13 0.14 0.01 -0.19 -0.04 0.88 0.80 2nm1A1 LEU 866 H -0.05 0.39 0.22 -0.55 8.37 8.39 2nm1A1 LEU 866 HA 0.15 -0.03 0.50 -0.75 4.35 4.22 2nm1A1 LEU 866 HB2 0.22 0.12 -0.10 -0.04 1.64 1.84 2nm1A1 LEU 866 HB3 0.21 -0.04 0.07 -0.04 1.64 1.85 2nm1A1 LEU 866 HG 0.29 -0.01 -0.19 -0.04 1.64 1.69 2nm1A1 LEU 866 HD13 0.20 -0.02 -0.01 -0.04 0.93 1.07 2nm1A1 LEU 866 HD23 0.53 0.02 -0.15 -0.04 0.89 1.26 2nm1A1 ASN 867 H 0.12 -0.01 0.02 -0.55 8.53 8.11 2nm1A1 ASN 867 HA 0.10 0.33 0.84 -0.75 4.76 5.27 2nm1A1 ASN 867 HB2 -0.00 0.02 -0.21 -0.04 2.88 2.65 2nm1A1 ASN 867 HB3 0.05 -0.21 -0.01 -0.04 2.79 2.57 2nm1A1 ASN 867 HD21 0.00 0.06 -0.08 -0.04 7.03 6.96 2nm1A1 ASN 867 HD22 0.01 -0.00 -0.12 -0.04 7.74 7.59 2nm1A1 LEU 868 H 0.29 0.59 0.13 -0.55 8.37 8.84 2nm1A1 LEU 868 HA 0.14 0.18 0.63 -0.75 4.35 4.54 2nm1A1 LEU 868 HB2 0.32 0.01 0.12 -0.04 1.64 2.05 2nm1A1 LEU 868 HB3 0.08 -0.01 -0.10 -0.04 1.64 1.57 2nm1A1 LEU 868 HG 0.38 -0.02 -0.10 -0.04 1.64 1.86 2nm1A1 LEU 868 HD13 0.11 0.00 -0.14 -0.04 0.93 0.86 2nm1A1 LEU 868 HD23 0.12 -0.02 -0.27 -0.04 0.89 0.68 2nm1A1 ARG 869 H 0.11 0.64 0.44 -0.55 8.46 9.10 2nm1A1 ARG 869 HA 0.27 0.13 0.96 -0.75 4.34 4.95 2nm1A1 ARG 869 HB2 0.10 -0.00 0.05 -0.04 1.90 2.01 2nm1A1 ARG 869 HB3 0.16 0.07 0.08 -0.04 1.80 2.07 2nm1A1 ARG 869 HG2 0.13 -0.05 -0.58 -0.04 1.67 1.13 2nm1A1 ARG 869 HG3 0.08 -0.00 -0.09 -0.04 1.67 1.62 2nm1A1 ARG 869 HD2 0.16 0.01 0.03 -0.04 3.22 3.37 2nm1A1 ARG 869 HD3 0.34 0.02 0.17 -0.04 3.22 3.71 2nm1A1 TYR 870 H 0.32 0.12 0.20 -0.55 8.29 8.38 2nm1A1 TYR 870 HA 0.07 0.28 0.65 -0.75 4.56 4.80 2nm1A1 TYR 870 HB2 0.11 0.00 0.15 -0.04 3.06 3.28 2nm1A1 TYR 870 HB3 0.09 0.01 0.14 -0.04 2.98 3.18 2nm1A1 TYR 870 HD2 0.06 0.07 -0.17 -0.04 7.15 7.07 2nm1A1 TYR 870 HE2 0.04 0.05 -0.12 -0.04 6.85 6.78 2nm1A1 LYS 871 H -0.66 0.57 0.19 -0.55 8.42 7.96 2nm1A1 LYS 871 HA -0.20 0.00 0.45 -0.75 4.32 3.82 2nm1A1 LYS 871 HB2 -0.04 0.17 -0.19 -0.04 1.87 1.77 2nm1A1 LYS 871 HB3 -0.11 -0.01 -0.10 -0.04 1.79 1.53 2nm1A1 LYS 871 HG2 -0.08 -0.01 -0.19 -0.04 1.46 1.14 2nm1A1 LYS 871 HG3 -0.03 -0.00 0.03 -0.04 1.46 1.42 2nm1A1 LYS 871 HD2 -0.02 0.02 -0.07 -0.04 1.69 1.58 2nm1A1 LYS 871 HD3 -0.04 -0.01 -0.11 -0.04 1.68 1.48 2nm1A1 LYS 871 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.88 2nm1A1 LYS 871 HE3 -0.03 -0.01 -0.06 -0.04 2.99 2.85 2nm1A1 ASP 872 H -0.21 0.14 0.09 -0.55 8.40 7.88 2nm1A1 ASP 872 HA -0.09 0.00 0.34 -0.75 4.63 4.14 2nm1A1 ASP 872 HB2 -0.11 0.16 0.01 -0.04 2.71 2.72 2nm1A1 ASP 872 HB3 -0.06 0.02 0.12 -0.04 2.70 2.73 2nm1A1 ASN 873 H -0.30 0.02 -0.06 -0.55 8.53 7.64 2nm1A1 ASN 873 HA 0.16 -0.03 0.23 -0.75 4.76 4.36 2nm1A1 ASN 873 HB2 0.07 -0.08 -0.03 -0.04 2.88 2.80 2nm1A1 ASN 873 HB3 -0.01 0.17 0.10 -0.04 2.79 3.01 2nm1A1 ASN 873 HD21 0.04 0.00 0.07 -0.04 7.03 7.10 2nm1A1 ASN 873 HD22 0.02 -0.00 0.08 -0.04 7.74 7.80 2nm1A1 ASN 874 H -0.57 0.01 -0.33 -0.55 8.53 7.09 2nm1A1 ASN 874 HA -0.07 0.08 0.51 -0.75 4.76 4.52 2nm1A1 ASN 874 HB2 -0.12 0.19 -0.35 -0.04 2.88 2.56 2nm1A1 ASN 874 HB3 -0.13 0.03 -0.09 -0.04 2.79 2.57 2nm1A1 ASN 874 HD21 -0.07 -0.05 0.11 -0.04 7.03 6.98 2nm1A1 ASN 874 HD22 -0.07 -0.00 0.04 -0.04 7.74 7.67 2nm1A1 LEU 875 H -0.08 0.21 0.14 -0.55 8.37 8.10 2nm1A1 LEU 875 HA -0.01 0.27 0.85 -0.75 4.35 4.70 2nm1A1 LEU 875 HB2 -0.14 -0.04 0.00 -0.04 1.64 1.43 2nm1A1 LEU 875 HB3 -0.11 -0.02 -0.16 -0.04 1.64 1.31 2nm1A1 LEU 875 HG -0.05 -0.02 -0.29 -0.04 1.64 1.24 2nm1A1 LEU 875 HD13 -0.62 -0.00 -0.18 -0.04 0.93 0.09 2nm1A1 LEU 875 HD23 0.14 0.03 -0.30 -0.04 0.89 0.72 2nm1A1 ILE 876 H 0.02 0.65 0.29 -0.55 8.25 8.65 2nm1A1 ILE 876 HA -0.00 0.14 0.86 -0.75 4.18 4.42 2nm1A1 ILE 876 HB -0.03 0.06 -0.22 -0.04 1.89 1.66 2nm1A1 ILE 876 HG12 0.01 0.06 -0.27 -0.04 1.49 1.25 2nm1A1 ILE 876 HG13 0.00 -0.04 0.10 -0.04 1.21 1.24 2nm1A1 ILE 876 HG23 -0.00 0.03 -0.14 -0.04 0.93 0.77 2nm1A1 ILE 876 HD13 -0.01 -0.00 -0.06 -0.04 0.88 0.77 2nm1A1 ASP 877 H 0.04 0.26 0.12 -0.55 8.40 8.27 2nm1A1 ASP 877 HA 0.09 0.16 0.62 -0.75 4.63 4.75 2nm1A1 ASP 877 HB2 0.11 0.07 -0.00 -0.04 2.71 2.84 2nm1A1 ASP 877 HB3 0.07 0.20 0.19 -0.04 2.70 3.12 2nm1A1 LEU 878 H 0.07 0.84 0.32 -0.55 8.37 9.05 2nm1A1 LEU 878 HA 0.02 0.16 0.84 -0.75 4.35 4.62 2nm1A1 LEU 878 HB2 0.04 0.11 0.10 -0.04 1.64 1.85 2nm1A1 LEU 878 HB3 0.01 0.00 0.16 -0.04 1.64 1.78 2nm1A1 LEU 878 HG 0.04 0.06 -0.20 -0.04 1.64 1.50 2nm1A1 LEU 878 HD13 0.04 0.01 -0.04 -0.04 0.93 0.90 2nm1A1 LEU 878 HD23 0.01 0.01 -0.10 -0.04 0.89 0.77 2nm1A1 SER 879 H 0.06 -0.04 -0.20 -0.55 8.46 7.73 2nm1A1 SER 879 HA 0.01 0.19 0.29 -0.75 4.49 4.22 2nm1A1 SER 879 HB2 0.22 0.20 -0.32 -0.04 3.95 4.01 2nm1A1 SER 879 HB3 0.11 -0.21 -0.24 -0.04 3.93 3.55 2nm1A1 GLY 880 H -0.04 -0.01 -0.31 -0.55 8.43 7.52 2nm1A1 GLY 880 HA2 -0.13 0.04 0.23 -0.51 4.01 3.65 2nm1A1 GLY 880 HA3 -0.29 0.28 0.77 -0.51 4.01 4.26 2nm1A1 TYR 881 H 0.01 -0.09 -0.12 -0.55 8.29 7.54 2nm1A1 TYR 881 HA 0.01 0.29 0.89 -0.75 4.56 4.99 2nm1A1 TYR 881 HB2 0.02 -0.02 0.01 -0.04 3.06 3.03 2nm1A1 TYR 881 HB3 0.02 -0.03 0.12 -0.04 2.98 3.05 2nm1A1 TYR 881 HD2 -0.00 -0.05 -0.07 -0.04 7.15 6.99 2nm1A1 TYR 881 HE2 -0.03 0.18 0.03 -0.04 6.85 7.00 2nm1A1 GLY 882 H 0.05 -0.08 -0.04 -0.55 8.43 7.82 2nm1A1 GLY 882 HA2 0.04 0.09 0.31 -0.51 4.01 3.94 2nm1A1 GLY 882 HA3 0.05 0.09 0.28 -0.51 4.01 3.92 2nm1A1 ALA 883 H 0.11 -0.10 -0.06 -0.55 8.40 7.81 2nm1A1 ALA 883 HA 0.08 0.13 0.47 -0.75 4.34 4.27 2nm1A1 ALA 883 HB3 0.12 -0.00 0.03 -0.04 1.41 1.52 2nm1A1 LYS 884 H 0.06 0.37 0.31 -0.55 8.42 8.60 2nm1A1 LYS 884 HA 0.03 0.13 0.76 -0.75 4.32 4.48 2nm1A1 LYS 884 HB2 0.03 0.05 0.14 -0.04 1.87 2.05 2nm1A1 LYS 884 HB3 0.04 -0.07 0.19 -0.04 1.79 1.90 2nm1A1 LYS 884 HG2 0.01 0.02 -0.20 -0.04 1.46 1.24 2nm1A1 LYS 884 HG3 0.00 0.03 0.06 -0.04 1.46 1.51 2nm1A1 LYS 884 HD2 -0.00 0.01 -0.04 -0.04 1.69 1.62 2nm1A1 LYS 884 HD3 0.01 0.01 0.01 -0.04 1.68 1.67 2nm1A1 LYS 884 HE2 0.03 -0.02 0.02 -0.04 2.99 2.98 2nm1A1 LYS 884 HE3 0.02 -0.01 -0.07 -0.04 2.99 2.89 2nm1A1 VAL 885 H 0.00 0.26 0.23 -0.55 8.24 8.18 2nm1A1 VAL 885 HA 0.03 0.26 1.06 -0.75 4.13 4.72 2nm1A1 VAL 885 HB -0.02 0.09 0.15 -0.04 2.12 2.30 2nm1A1 VAL 885 HG13 -0.07 -0.03 -0.28 -0.04 0.97 0.54 2nm1A1 VAL 885 HG23 0.04 -0.01 -0.32 -0.04 0.95 0.62 2nm1A1 GLU 886 H 0.01 0.78 0.30 -0.55 8.60 9.14 2nm1A1 GLU 886 HA -0.12 0.19 1.04 -0.75 4.29 4.65 2nm1A1 GLU 886 HB2 0.03 -0.04 0.23 -0.04 2.09 2.26 2nm1A1 GLU 886 HB3 -0.29 0.02 0.03 -0.04 1.99 1.70 2nm1A1 GLU 886 HG2 -0.08 0.04 -0.05 -0.04 2.34 2.21 2nm1A1 GLU 886 HG3 -0.02 -0.07 -0.32 -0.04 2.34 1.89 2nm1A1 VAL 887 H -0.13 0.24 0.14 -0.55 8.24 7.94 2nm1A1 VAL 887 HA -0.01 0.12 0.93 -0.75 4.13 4.42 2nm1A1 VAL 887 HB -0.08 0.01 0.18 -0.04 2.12 2.19 2nm1A1 VAL 887 HG13 -0.05 0.05 -0.07 -0.04 0.97 0.85 2nm1A1 VAL 887 HG23 -0.13 -0.02 -0.05 -0.04 0.95 0.71 2nm1A1 TYR 888 H 0.29 0.62 0.39 -0.55 8.29 9.05 2nm1A1 TYR 888 HA -0.02 0.09 0.76 -0.75 4.56 4.64 2nm1A1 TYR 888 HB2 -0.01 0.09 0.25 -0.04 3.06 3.34 2nm1A1 TYR 888 HB3 -0.01 -0.11 0.23 -0.04 2.98 3.05 2nm1A1 TYR 888 HD2 -0.01 0.10 0.02 -0.04 7.15 7.22 2nm1A1 TYR 888 HE2 -0.00 -0.02 -0.04 -0.04 6.85 6.75 2nm1A1 ASP 889 H 0.10 0.10 0.22 -0.55 8.40 8.27 2nm1A1 ASP 889 HA 0.03 0.14 0.36 -0.75 4.63 4.40 2nm1A1 ASP 889 HB2 0.05 -0.05 0.10 -0.04 2.71 2.77 2nm1A1 ASP 889 HB3 0.03 0.01 0.11 -0.04 2.70 2.81 2nm1A1 GLY 890 H 0.08 0.42 -0.38 -0.55 8.43 8.00 2nm1A1 GLY 890 HA2 0.01 0.08 0.52 -0.51 4.01 4.11 2nm1A1 GLY 890 HA3 0.02 -0.15 -0.17 -0.51 4.01 3.20 2nm1A1 VAL 891 H 0.04 0.50 -0.15 -0.55 8.24 8.07 2nm1A1 VAL 891 HA 0.00 0.26 0.91 -0.75 4.13 4.55 2nm1A1 VAL 891 HB 0.02 0.06 0.09 -0.04 2.12 2.25 2nm1A1 VAL 891 HG13 0.03 -0.00 -0.29 -0.04 0.97 0.67 2nm1A1 VAL 891 HG23 0.04 -0.03 -0.13 -0.04 0.95 0.79 2nm1A1 GLU 892 H -0.07 0.30 0.25 -0.55 8.60 8.54 2nm1A1 GLU 892 HA 0.06 0.14 0.68 -0.75 4.29 4.42 2nm1A1 GLU 892 HB2 -0.06 0.03 0.07 -0.04 2.09 2.09 2nm1A1 GLU 892 HB3 -0.13 -0.08 0.11 -0.04 1.99 1.85 2nm1A1 GLU 892 HG2 0.18 0.04 -0.13 -0.04 2.34 2.40 2nm1A1 GLU 892 HG3 0.07 0.02 0.02 -0.04 2.34 2.42 2nm1A1 LEU 893 H 0.14 0.23 0.21 -0.55 8.37 8.41 2nm1A1 LEU 893 HA 0.31 0.34 1.04 -0.75 4.35 5.28 2nm1A1 LEU 893 HB2 0.23 -0.04 -0.05 -0.04 1.64 1.74 2nm1A1 LEU 893 HB3 0.34 -0.01 -0.09 -0.04 1.64 1.84 2nm1A1 LEU 893 HG 0.10 0.12 -0.27 -0.04 1.64 1.55 2nm1A1 LEU 893 HD13 0.09 0.01 -0.35 -0.04 0.93 0.63 2nm1A1 LEU 893 HD23 0.14 0.01 -0.22 -0.04 0.89 0.79 2nm1A1 ASN 894 H 0.15 0.49 0.27 -0.55 8.53 8.90 2nm1A1 ASN 894 HA -0.03 0.22 0.83 -0.75 4.76 5.02 2nm1A1 ASN 894 HB2 -0.07 -0.03 0.15 -0.04 2.88 2.88 2nm1A1 ASN 894 HB3 0.06 0.11 -0.09 -0.04 2.79 2.83 2nm1A1 ASN 894 HD21 -0.13 0.04 -0.09 -0.04 7.03 6.82 2nm1A1 ASN 894 HD22 0.03 0.05 -0.12 -0.04 7.74 7.65 2nm1A1 ASP 895 H -0.30 0.23 0.15 -0.55 8.40 7.94 2nm1A1 ASP 895 HA -1.47 0.09 0.52 -0.75 4.63 3.02 2nm1A1 ASP 895 HB2 -0.20 0.05 0.20 -0.04 2.71 2.72 2nm1A1 ASP 895 HB3 -0.31 -0.02 0.13 -0.04 2.70 2.46 2nm1A1 LYS 896 H -0.23 0.02 -0.61 -0.55 8.42 7.05 2nm1A1 LYS 896 HA -0.15 0.24 0.77 -0.75 4.32 4.42 2nm1A1 LYS 896 HB2 -0.20 -0.07 0.02 -0.04 1.87 1.57 2nm1A1 LYS 896 HB3 -0.25 0.11 0.15 -0.04 1.79 1.76 2nm1A1 LYS 896 HG2 -0.22 0.09 0.01 -0.04 1.46 1.30 2nm1A1 LYS 896 HG3 -0.18 -0.13 -0.14 -0.04 1.46 0.97 2nm1A1 LYS 896 HD2 -0.22 0.04 0.01 -0.04 1.69 1.47 2nm1A1 LYS 896 HD3 -0.24 0.06 -0.01 -0.04 1.68 1.45 2nm1A1 LYS 896 HE2 -0.14 -0.03 -0.03 -0.04 2.99 2.74 2nm1A1 LYS 896 HE3 -0.14 -0.08 -0.03 -0.04 2.99 2.69 2nm1A1 ASN 897 H -0.20 0.18 -0.26 -0.55 8.53 7.70 2nm1A1 ASN 897 HA 0.12 -0.02 0.35 -0.75 4.76 4.46 2nm1A1 ASN 897 HB2 -0.19 0.22 -0.38 -0.04 2.88 2.49 2nm1A1 ASN 897 HB3 -0.19 -0.10 0.31 -0.04 2.79 2.77 2nm1A1 ASN 897 HD21 0.26 0.02 0.06 -0.04 7.03 7.33 2nm1A1 ASN 897 HD22 0.15 0.09 -0.12 -0.04 7.74 7.83 2nm1A1 GLN 898 H -0.00 -0.07 -0.29 -0.55 8.47 7.57 2nm1A1 GLN 898 HA 0.15 0.34 0.93 -0.75 4.36 5.03 2nm1A1 GLN 898 HB2 0.12 -0.13 -0.03 -0.04 2.15 2.07 2nm1A1 GLN 898 HB3 0.46 0.04 -0.04 -0.04 2.02 2.44 2nm1A1 GLN 898 HG2 -0.48 0.09 -0.16 -0.04 2.40 1.81 2nm1A1 GLN 898 HG3 -0.25 0.03 -0.25 -0.04 2.39 1.89 2nm1A1 GLN 898 HE21 -0.10 -0.04 -0.06 -0.04 6.97 6.72 2nm1A1 GLN 898 HE22 -0.64 0.11 -0.09 -0.04 7.69 7.02 2nm1A1 PHE 899 H 0.18 0.70 0.41 -0.55 8.34 9.07 2nm1A1 PHE 899 HA 0.28 0.37 0.93 -0.75 4.62 5.45 2nm1A1 PHE 899 HB2 0.07 0.03 -0.03 -0.04 3.15 3.18 2nm1A1 PHE 899 HB3 0.15 -0.04 -0.15 -0.04 3.06 2.99 2nm1A1 PHE 899 HD2 0.10 0.04 -0.30 -0.04 7.28 7.08 2nm1A1 PHE 899 HE2 0.11 -0.04 -0.16 -0.04 7.38 7.24 2nm1A1 PHE 899 HZ -0.03 -0.02 -0.14 -0.04 7.32 7.09 2nm1A1 LYS 900 H -0.04 0.57 0.29 -0.55 8.42 8.68 2nm1A1 LYS 900 HA -0.53 0.35 1.19 -0.75 4.32 4.58 2nm1A1 LYS 900 HB2 -2.82 -0.03 -0.06 -0.04 1.87 -1.08 2nm1A1 LYS 900 HB3 -0.70 -0.12 0.17 -0.04 1.79 1.09 2nm1A1 LYS 900 HG2 -0.56 0.05 -0.26 -0.04 1.46 0.65 2nm1A1 LYS 900 HG3 -1.59 0.02 -0.12 -0.04 1.46 -0.28 2nm1A1 LYS 900 HD2 -0.80 -0.03 -0.08 -0.04 1.69 0.75 2nm1A1 LYS 900 HD3 -0.48 -0.03 -0.08 -0.04 1.68 1.05 2nm1A1 LYS 900 HE2 -0.81 0.04 -0.11 -0.04 2.99 2.07 2nm1A1 LYS 900 HE3 -1.13 -0.01 -0.12 -0.04 2.99 1.70 2nm1A1 LEU 901 H -0.10 0.69 0.38 -0.55 8.37 8.78 2nm1A1 LEU 901 HA 0.02 0.12 0.86 -0.75 4.35 4.60 2nm1A1 LEU 901 HB2 0.08 -0.05 0.15 -0.04 1.64 1.78 2nm1A1 LEU 901 HB3 0.08 0.07 0.03 -0.04 1.64 1.78 2nm1A1 LEU 901 HG 0.27 -0.03 -0.21 -0.04 1.64 1.63 2nm1A1 LEU 901 HD13 0.26 -0.02 -0.15 -0.04 0.93 0.99 2nm1A1 LEU 901 HD23 0.16 0.04 -0.25 -0.04 0.89 0.80 2nm1A1 THR 902 H -0.02 0.16 0.20 -0.55 8.28 8.07 2nm1A1 THR 902 HA 0.03 0.29 1.00 -0.75 4.39 4.96 2nm1A1 THR 902 HB -0.02 -0.05 0.25 -0.04 4.32 4.46 2nm1A1 THR 902 HG23 -0.11 0.02 -0.06 -0.04 1.22 1.03 2nm1A1 SER 903 H -0.00 0.22 0.19 -0.55 8.46 8.32 2nm1A1 SER 903 HA -0.03 0.19 0.62 -0.75 4.49 4.52 2nm1A1 SER 903 HB2 -0.03 -0.06 0.12 -0.04 3.95 3.94 2nm1A1 SER 903 HB3 -0.04 0.10 0.08 -0.04 3.93 4.03 2nm1A1 SER 904 H -0.02 0.00 -0.18 -0.55 8.46 7.72 2nm1A1 SER 904 HA -0.02 0.07 0.51 -0.75 4.49 4.30 2nm1A1 SER 904 HB2 -0.01 0.01 0.03 -0.04 3.95 3.94 2nm1A1 SER 904 HB3 -0.01 -0.09 0.07 -0.04 3.93 3.86 2nm1A1 ALA 905 H -0.02 0.11 0.19 -0.55 8.40 8.13 2nm1A1 ALA 905 HA -0.04 0.20 0.36 -0.75 4.34 4.11 2nm1A1 ALA 905 HB3 -0.03 0.00 0.10 -0.04 1.41 1.43 2nm1A1 ASN 906 H -0.02 0.02 -0.28 -0.55 8.53 7.70 2nm1A1 ASN 906 HA -0.09 0.24 0.68 -0.75 4.76 4.83 2nm1A1 ASN 906 HB2 0.07 -0.06 0.14 -0.04 2.88 2.99 2nm1A1 ASN 906 HB3 0.01 0.02 0.01 -0.04 2.79 2.79 2nm1A1 ASN 906 HD21 0.02 0.10 -0.21 -0.04 7.03 6.91 2nm1A1 ASN 906 HD22 0.05 -0.02 -0.05 -0.04 7.74 7.68 2nm1A1 SER 907 H -0.02 0.56 -0.62 -0.55 8.46 7.83 2nm1A1 SER 907 HA 0.02 -0.03 0.41 -0.75 4.49 4.14 2nm1A1 SER 907 HB2 -0.01 -0.15 0.07 -0.04 3.95 3.81 2nm1A1 SER 907 HB3 -0.00 0.30 0.18 -0.04 3.93 4.37 2nm1A1 LYS 908 H 0.06 0.29 -0.02 -0.55 8.42 8.19 2nm1A1 LYS 908 HA 0.06 0.32 0.75 -0.75 4.32 4.70 2nm1A1 LYS 908 HB2 -0.03 0.02 0.04 -0.04 1.87 1.85 2nm1A1 LYS 908 HB3 -0.06 0.11 -0.24 -0.04 1.79 1.57 2nm1A1 LYS 908 HG2 -0.25 -0.10 -0.26 -0.04 1.46 0.80 2nm1A1 LYS 908 HG3 -0.33 -0.08 -0.21 -0.04 1.46 0.79 2nm1A1 LYS 908 HD2 -0.33 -0.03 -0.14 -0.04 1.69 1.16 2nm1A1 LYS 908 HD3 -0.23 0.08 -0.09 -0.04 1.68 1.40 2nm1A1 LYS 908 HE2 -0.55 0.03 -0.01 -0.04 2.99 2.42 2nm1A1 LYS 908 HE3 -1.81 -0.07 -0.06 -0.04 2.99 1.01 2nm1A1 ILE 909 H 0.13 0.60 0.38 -0.55 8.25 8.82 2nm1A1 ILE 909 HA 0.13 0.27 1.14 -0.75 4.18 4.97 2nm1A1 ILE 909 HB -0.10 -0.06 0.08 -0.04 1.89 1.77 2nm1A1 ILE 909 HG12 -0.15 0.01 -0.05 -0.04 1.49 1.25 2nm1A1 ILE 909 HG13 -0.08 -0.04 -0.45 -0.04 1.21 0.60 2nm1A1 ILE 909 HG23 -0.20 -0.01 -0.28 -0.04 0.93 0.40 2nm1A1 ILE 909 HD13 -0.78 -0.00 -0.15 -0.04 0.88 -0.10 2nm1A1 ARG 910 H 0.15 0.69 0.34 -0.55 8.46 9.10 2nm1A1 ARG 910 HA 0.13 0.31 1.10 -0.75 4.34 5.12 2nm1A1 ARG 910 HB2 0.20 0.00 -0.02 -0.04 1.90 2.04 2nm1A1 ARG 910 HB3 0.18 -0.05 0.17 -0.04 1.80 2.06 2nm1A1 ARG 910 HG2 0.07 -0.02 -0.28 -0.04 1.67 1.40 2nm1A1 ARG 910 HG3 0.06 0.03 -0.04 -0.04 1.67 1.68 2nm1A1 ARG 910 HD2 0.15 0.00 -0.04 -0.04 3.22 3.29 2nm1A1 ARG 910 HD3 0.08 -0.03 -0.08 -0.04 3.22 3.14 2nm1A1 VAL 911 H 0.13 0.69 0.34 -0.55 8.24 8.84 2nm1A1 VAL 911 HA 0.09 0.33 1.14 -0.75 4.13 4.94 2nm1A1 VAL 911 HB 0.23 -0.03 0.15 -0.04 2.12 2.43 2nm1A1 VAL 911 HG13 0.19 -0.01 -0.25 -0.04 0.97 0.86 2nm1A1 VAL 911 HG23 0.20 -0.01 -0.21 -0.04 0.95 0.89 2nm1A1 THR 912 H 0.07 0.67 0.26 -0.55 8.28 8.73 2nm1A1 THR 912 HA 0.06 0.09 0.87 -0.75 4.39 4.65 2nm1A1 THR 912 HB 0.04 0.05 0.07 -0.04 4.32 4.44 2nm1A1 THR 912 HG23 0.04 0.00 -0.10 -0.04 1.22 1.12 2nm1A1 GLN 913 H 0.08 0.25 0.00 -0.55 8.47 8.26 2nm1A1 GLN 913 HA 0.12 -0.01 0.52 -0.75 4.36 4.23 2nm1A1 GLN 913 HB2 0.12 0.19 -0.02 -0.04 2.15 2.40 2nm1A1 GLN 913 HB3 0.16 0.01 -0.03 -0.04 2.02 2.13 2nm1A1 GLN 913 HG2 0.21 -0.10 -0.11 -0.04 2.40 2.36 2nm1A1 GLN 913 HG3 0.15 0.04 -0.10 -0.04 2.39 2.44 2nm1A1 GLN 913 HE21 0.24 0.24 0.04 -0.04 6.97 7.45 2nm1A1 GLN 913 HE22 0.11 0.62 -0.23 -0.04 7.69 8.15 2nm1A1 ASN 914 H 0.10 0.11 0.13 -0.55 8.53 8.32 2nm1A1 ASN 914 HA 0.06 0.07 0.52 -0.75 4.76 4.66 2nm1A1 ASN 914 HB2 0.10 0.14 0.09 -0.04 2.88 3.17 2nm1A1 ASN 914 HB3 0.04 -0.03 0.20 -0.04 2.79 2.96 2nm1A1 ASN 914 HD21 0.11 -0.05 0.03 -0.04 7.03 7.08 2nm1A1 ASN 914 HD22 0.15 0.58 0.17 -0.04 7.74 8.59 2nm1A1 GLN 915 H 0.05 0.19 0.22 -0.55 8.47 8.38 2nm1A1 GLN 915 HA 0.08 0.13 0.36 -0.75 4.36 4.18 2nm1A1 GLN 915 HB2 0.03 -0.04 0.08 -0.04 2.15 2.19 2nm1A1 GLN 915 HB3 0.04 0.00 0.09 -0.04 2.02 2.11 2nm1A1 GLN 915 HG2 0.04 0.08 0.11 -0.04 2.40 2.59 2nm1A1 GLN 915 HG3 0.03 -0.04 0.04 -0.04 2.39 2.38 2nm1A1 GLN 915 HE21 0.03 -0.04 -0.07 -0.04 6.97 6.85 2nm1A1 GLN 915 HE22 0.03 -0.04 -0.00 -0.04 7.69 7.63 2nm1A1 ASN 916 H 0.03 0.02 -0.36 -0.55 8.53 7.67 2nm1A1 ASN 916 HA 0.01 0.12 0.48 -0.75 4.76 4.62 2nm1A1 ASN 916 HB2 0.03 0.00 -0.02 -0.04 2.88 2.85 2nm1A1 ASN 916 HB3 0.01 0.01 0.07 -0.04 2.79 2.84 2nm1A1 ASN 916 HD21 0.03 -0.00 -0.00 -0.04 7.03 7.02 2nm1A1 ASN 916 HD22 0.04 0.04 0.00 -0.04 7.74 7.78 2nm1A1 ILE 917 H -0.04 0.29 -0.37 -0.55 8.25 7.59 2nm1A1 ILE 917 HA -0.26 0.00 0.42 -0.75 4.18 3.59 2nm1A1 ILE 917 HB -0.17 0.03 -0.00 -0.04 1.89 1.71 2nm1A1 ILE 917 HG12 -0.60 -0.03 0.03 -0.04 1.49 0.85 2nm1A1 ILE 917 HG13 -0.13 0.06 0.09 -0.04 1.21 1.18 2nm1A1 ILE 917 HG23 -0.65 0.00 -0.10 -0.04 0.93 0.14 2nm1A1 ILE 917 HD13 -0.17 -0.03 0.06 -0.04 0.88 0.69 2nm1A1 ILE 918 H -0.27 0.10 0.18 -0.55 8.25 7.72 2nm1A1 ILE 918 HA -0.06 0.18 0.90 -0.75 4.18 4.45 2nm1A1 ILE 918 HB -0.11 -0.05 0.11 -0.04 1.89 1.81 2nm1A1 ILE 918 HG12 -0.03 0.05 -0.09 -0.04 1.49 1.39 2nm1A1 ILE 918 HG13 -0.07 0.09 -0.00 -0.04 1.21 1.19 2nm1A1 ILE 918 HG23 -0.03 0.00 -0.07 -0.04 0.93 0.79 2nm1A1 ILE 918 HD13 -0.02 -0.02 0.01 -0.04 0.88 0.81 2nm1A1 PHE 919 H 0.14 0.17 0.13 -0.55 8.34 8.22 2nm1A1 PHE 919 HA -0.06 0.20 0.84 -0.75 4.62 4.85 2nm1A1 PHE 919 HB2 -0.06 0.00 -0.02 -0.04 3.15 3.03 2nm1A1 PHE 919 HB3 -0.09 0.00 0.04 -0.04 3.06 2.97 2nm1A1 PHE 919 HD2 -0.07 0.02 -0.08 -0.04 7.28 7.10 2nm1A1 PHE 919 HE2 -0.02 0.04 -0.16 -0.04 7.38 7.20 2nm1A1 PHE 919 HZ 0.02 0.02 -0.18 -0.04 7.32 7.15 2nm1A1 ASN 920 H 0.05 0.13 0.16 -0.55 8.53 8.33 2nm1A1 ASN 920 HA -0.08 0.01 0.51 -0.75 4.76 4.44 2nm1A1 ASN 920 HB2 -0.24 0.07 0.20 -0.04 2.88 2.88 2nm1A1 ASN 920 HB3 -0.33 0.24 0.27 -0.04 2.79 2.94 2nm1A1 ASN 920 HD21 -0.30 -0.03 0.04 -0.04 7.03 6.71 2nm1A1 ASN 920 HD22 -0.36 0.08 0.07 -0.04 7.74 7.49 2nm1A1 SER 921 H -0.03 0.09 0.24 -0.55 8.46 8.21 2nm1A1 SER 921 HA 0.01 0.17 0.58 -0.75 4.49 4.49 2nm1A1 SER 921 HB2 0.01 0.07 0.10 -0.04 3.95 4.09 2nm1A1 SER 921 HB3 0.01 -0.04 0.09 -0.04 3.93 3.94 2nm1A1 VAL 922 H -0.03 -0.03 -0.01 -0.55 8.24 7.63 2nm1A1 VAL 922 HA 0.09 0.13 0.55 -0.75 4.13 4.14 2nm1A1 VAL 922 HB 0.23 -0.08 0.10 -0.04 2.12 2.33 2nm1A1 VAL 922 HG13 0.22 0.01 -0.09 -0.04 0.97 1.07 2nm1A1 VAL 922 HG23 0.08 -0.01 0.04 -0.04 0.95 1.02 2nm1A1 PHE 923 H -0.22 0.07 -0.07 -0.55 8.34 7.56 2nm1A1 PHE 923 HA 0.05 0.27 0.59 -0.75 4.62 4.78 2nm1A1 PHE 923 HB2 0.06 0.09 -0.08 -0.04 3.15 3.18 2nm1A1 PHE 923 HB3 0.05 0.07 -0.18 -0.04 3.06 2.95 2nm1A1 PHE 923 HD2 0.06 0.14 -0.46 -0.04 7.28 6.98 2nm1A1 PHE 923 HE2 0.05 0.04 -0.00 -0.04 7.38 7.42 2nm1A1 PHE 923 HZ 0.04 0.04 0.01 -0.04 7.32 7.36 2nm1A1 LEU 924 H 0.27 0.26 -0.08 -0.55 8.37 8.27 2nm1A1 LEU 924 HA 0.05 0.08 0.43 -0.75 4.35 4.16 2nm1A1 LEU 924 HB2 0.15 0.04 -0.00 -0.04 1.64 1.79 2nm1A1 LEU 924 HB3 0.28 0.05 0.04 -0.04 1.64 1.97 2nm1A1 LEU 924 HG 0.58 -0.05 -0.26 -0.04 1.64 1.86 2nm1A1 LEU 924 HD13 -0.23 0.00 -0.08 -0.04 0.93 0.58 2nm1A1 LEU 924 HD23 0.46 0.00 -0.12 -0.04 0.89 1.19 2nm1A1 ASP 925 H -0.01 0.19 0.10 -0.55 8.40 8.13 2nm1A1 ASP 925 HA 0.26 0.41 0.93 -0.75 4.63 5.48 2nm1A1 ASP 925 HB2 -0.93 -0.06 -0.13 -0.04 2.71 1.55 2nm1A1 ASP 925 HB3 -0.24 -0.02 0.19 -0.04 2.70 2.59 2nm1A1 PHE 926 H 0.38 0.34 0.01 -0.55 8.34 8.53 2nm1A1 PHE 926 HA 0.06 0.03 0.65 -0.75 4.62 4.60 2nm1A1 PHE 926 HB2 0.13 0.37 0.38 -0.04 3.15 3.99 2nm1A1 PHE 926 HB3 0.16 -0.08 -0.31 -0.04 3.06 2.79 2nm1A1 PHE 926 HD2 0.07 -0.02 -0.14 -0.04 7.28 7.15 2nm1A1 PHE 926 HE2 -0.19 0.00 -0.15 -0.04 7.38 7.00 2nm1A1 PHE 926 HZ 0.01 -0.00 -0.15 -0.04 7.32 7.13 2nm1A1 SER 927 H 0.08 0.56 0.48 -0.55 8.46 9.03 2nm1A1 SER 927 HA -0.59 0.26 1.16 -0.75 4.49 4.56 2nm1A1 SER 927 HB2 -0.14 -0.04 0.10 -0.04 3.95 3.83 2nm1A1 SER 927 HB3 -0.31 0.06 0.11 -0.04 3.93 3.75 2nm1A1 VAL 928 H -0.52 0.65 0.46 -0.55 8.24 8.28 2nm1A1 VAL 928 HA -0.15 0.33 1.18 -0.75 4.13 4.74 2nm1A1 VAL 928 HB -0.49 -0.08 0.12 -0.04 2.12 1.64 2nm1A1 VAL 928 HG13 0.01 0.02 -0.08 -0.04 0.97 0.88 2nm1A1 VAL 928 HG23 -0.52 -0.01 -0.16 -0.04 0.95 0.22 2nm1A1 SER 929 H -0.06 0.64 0.43 -0.55 8.46 8.93 2nm1A1 SER 929 HA -0.38 0.22 0.96 -0.75 4.49 4.53 2nm1A1 SER 929 HB2 -0.27 0.08 0.21 -0.04 3.95 3.93 2nm1A1 SER 929 HB3 -0.09 -0.12 -0.11 -0.04 3.93 3.57 2nm1A1 PHE 930 H -0.50 0.63 0.43 -0.55 8.34 8.34 2nm1A1 PHE 930 HA 0.49 0.29 0.46 -0.75 4.62 5.10 2nm1A1 PHE 930 HB2 0.51 0.05 0.09 -0.04 3.15 3.76 2nm1A1 PHE 930 HB3 0.48 0.04 0.04 -0.04 3.06 3.57 2nm1A1 PHE 930 HD2 0.23 0.09 -0.50 -0.04 7.28 7.06 2nm1A1 PHE 930 HE2 0.17 -0.01 -0.19 -0.04 7.38 7.30 2nm1A1 PHE 930 HZ 0.19 -0.02 -0.14 -0.04 7.32 7.31 2nm1A1 TRP 931 H 0.87 0.67 0.37 -0.55 7.97 9.34 2nm1A1 TRP 931 HA 0.40 0.20 1.09 -0.75 4.62 5.56 2nm1A1 TRP 931 HB2 0.17 -0.06 0.07 -0.04 3.23 3.38 2nm1A1 TRP 931 HB3 0.44 0.04 -0.03 -0.04 3.23 3.64 2nm1A1 TRP 931 HD1 0.44 0.04 -0.12 -0.04 7.22 7.54 2nm1A1 TRP 931 HE1 -0.04 0.00 -0.10 -0.04 10.20 10.02 2nm1A1 TRP 931 HE3 0.41 0.00 -0.36 -0.04 7.59 7.61 2nm1A1 TRP 931 HZ2 -0.32 0.08 -0.12 -0.04 7.44 7.04 2nm1A1 TRP 931 HZ3 0.36 0.08 -0.17 -0.04 7.13 7.37 2nm1A1 TRP 931 HH2 -0.05 0.03 -0.07 -0.04 7.19 7.05 2nm1A1 ILE 932 H 0.37 0.62 0.42 -0.55 8.25 9.11 2nm1A1 ILE 932 HA 0.40 0.29 1.00 -0.75 4.18 5.12 2nm1A1 ILE 932 HB 0.51 -0.04 -0.25 -0.04 1.89 2.07 2nm1A1 ILE 932 HG12 0.04 -0.06 -0.14 -0.04 1.49 1.29 2nm1A1 ILE 932 HG13 0.15 0.24 0.14 -0.04 1.21 1.70 2nm1A1 ILE 932 HG23 -0.42 0.00 -0.13 -0.04 0.93 0.34 2nm1A1 ILE 932 HD13 0.20 -0.03 -0.12 -0.04 0.88 0.90 2nm1A1 ARG 933 H -0.17 0.54 0.20 -0.55 8.46 8.48 2nm1A1 ARG 933 HA -0.23 0.29 0.60 -0.75 4.34 4.25 2nm1A1 ARG 933 HB2 -1.93 0.02 -0.32 -0.04 1.90 -0.37 2nm1A1 ARG 933 HB3 -0.83 -0.11 0.01 -0.04 1.80 0.83 2nm1A1 ARG 933 HG2 -0.28 -0.09 -0.40 -0.04 1.67 0.87 2nm1A1 ARG 933 HG3 -0.24 0.04 -0.75 -0.04 1.67 0.68 2nm1A1 ARG 933 HD2 -0.22 0.31 -0.11 -0.04 3.22 3.16 2nm1A1 ARG 933 HD3 -1.45 -0.01 -0.19 -0.04 3.22 1.53 2nm1A1 ILE 934 H 0.04 0.26 0.05 -0.55 8.25 8.05 2nm1A1 ILE 934 HA 0.01 0.20 0.91 -0.75 4.18 4.55 2nm1A1 ILE 934 HB 0.29 -0.04 0.10 -0.04 1.89 2.20 2nm1A1 ILE 934 HG12 0.15 0.03 -0.09 -0.04 1.49 1.54 2nm1A1 ILE 934 HG13 0.08 -0.14 -0.23 -0.04 1.21 0.88 2nm1A1 ILE 934 HG23 0.21 0.07 -0.04 -0.04 0.93 1.13 2nm1A1 ILE 934 HD13 0.38 0.01 -0.11 -0.04 0.88 1.12 2nm1A1 PRO 935 HA -0.08 0.05 0.57 -0.51 4.44 4.47 2nm1A1 PRO 935 HB2 -0.30 0.15 0.10 -0.04 2.28 2.19 2nm1A1 PRO 935 HB3 -0.38 -0.11 0.17 -0.04 2.02 1.66 2nm1A1 PRO 935 HG2 -0.38 -0.03 0.14 -0.04 2.03 1.73 2nm1A1 PRO 935 HG3 -1.47 -0.01 0.13 -0.04 2.03 0.64 2nm1A1 PRO 935 HD2 -0.18 0.14 0.41 -0.04 3.68 4.00 2nm1A1 PRO 935 HD3 -0.32 0.10 0.16 -0.04 3.65 3.55 2nm1A1 LYS 936 H -0.14 0.71 0.36 -0.55 8.42 8.80 2nm1A1 LYS 936 HA -0.27 -0.02 0.52 -0.75 4.32 3.79 2nm1A1 LYS 936 HB2 -0.45 0.00 0.17 -0.04 1.87 1.55 2nm1A1 LYS 936 HB3 -0.62 -0.04 0.16 -0.04 1.79 1.26 2nm1A1 LYS 936 HG2 -1.46 0.32 -0.04 -0.04 1.46 0.25 2nm1A1 LYS 936 HG3 -1.57 -0.09 0.08 -0.04 1.46 -0.16 2nm1A1 LYS 936 HD2 -3.57 -0.01 -0.01 -0.04 1.69 -1.94 2nm1A1 LYS 936 HD3 -1.80 -0.16 0.04 -0.04 1.68 -0.29 2nm1A1 LYS 936 HE2 -1.52 -0.05 -0.04 -0.04 2.99 1.34 2nm1A1 LYS 936 HE3 -1.92 -0.04 -0.04 -0.04 2.99 0.95 2nm1A1 TYR 937 H -1.00 0.05 0.12 -0.55 8.29 6.91 2nm1A1 TYR 937 HA -0.34 0.08 0.41 -0.75 4.56 3.95 2nm1A1 TYR 937 HB2 -0.71 -0.01 -0.07 -0.04 3.06 2.23 2nm1A1 TYR 937 HB3 -2.44 0.04 0.05 -0.04 2.98 0.59 2nm1A1 TYR 937 HD2 -0.46 -0.01 -0.34 -0.04 7.15 6.31 2nm1A1 TYR 937 HE2 -0.17 0.01 -0.04 -0.04 6.85 6.61 2nm1A1 LYS 938 H -0.04 0.11 0.05 -0.55 8.42 7.99 2nm1A1 LYS 938 HA -0.12 0.20 0.64 -0.75 4.32 4.29 2nm1A1 LYS 938 HB2 -0.00 -0.08 0.04 -0.04 1.87 1.78 2nm1A1 LYS 938 HB3 -0.02 -0.06 -0.03 -0.04 1.79 1.64 2nm1A1 LYS 938 HG2 -0.04 0.07 -0.04 -0.04 1.46 1.40 2nm1A1 LYS 938 HG3 -0.01 -0.03 -0.03 -0.04 1.46 1.34 2nm1A1 LYS 938 HD2 -0.04 -0.06 -0.02 -0.04 1.69 1.53 2nm1A1 LYS 938 HD3 -0.10 0.12 -0.11 -0.04 1.68 1.55 2nm1A1 LYS 938 HE2 -0.03 0.11 -0.09 -0.04 2.99 2.94 2nm1A1 LYS 938 HE3 -0.01 -0.09 -0.05 -0.04 2.99 2.80 2nm1A1 ASN 939 H -0.03 0.27 0.09 -0.55 8.53 8.32 2nm1A1 ASN 939 HA 0.04 0.10 0.34 -0.75 4.76 4.48 2nm1A1 ASN 939 HB2 0.08 -0.03 0.10 -0.04 2.88 2.99 2nm1A1 ASN 939 HB3 0.19 0.01 0.00 -0.04 2.79 2.95 2nm1A1 ASN 939 HD21 0.38 0.04 0.01 -0.04 7.03 7.41 2nm1A1 ASN 939 HD22 0.25 0.05 0.02 -0.04 7.74 8.02 2nm1A1 ASP 940 H 0.03 0.10 -0.30 -0.55 8.40 7.67 2nm1A1 ASP 940 HA 0.04 0.20 0.74 -0.75 4.63 4.86 2nm1A1 ASP 940 HB2 0.03 0.03 0.17 -0.04 2.71 2.90 2nm1A1 ASP 940 HB3 0.04 0.02 0.02 -0.04 2.70 2.73 2nm1A1 GLY 941 H 0.01 0.57 -0.53 -0.55 8.43 7.93 2nm1A1 GLY 941 HA2 0.03 0.14 0.65 -0.51 4.01 4.31 2nm1A1 GLY 941 HA3 0.03 0.01 0.30 -0.51 4.01 3.84 2nm1A1 ILE 942 H 0.01 0.24 -0.03 -0.55 8.25 7.92 2nm1A1 ILE 942 HA -0.05 0.09 0.37 -0.75 4.18 3.84 2nm1A1 ILE 942 HB 0.03 -0.04 0.08 -0.04 1.89 1.92 2nm1A1 ILE 942 HG12 -0.03 0.15 0.13 -0.04 1.49 1.71 2nm1A1 ILE 942 HG13 -0.07 -0.00 0.06 -0.04 1.21 1.16 2nm1A1 ILE 942 HG23 -0.02 0.00 -0.11 -0.04 0.93 0.77 2nm1A1 ILE 942 HD13 -0.32 0.00 -0.08 -0.04 0.88 0.44 2nm1A1 GLN 943 H 0.04 0.11 -0.17 -0.55 8.47 7.90 2nm1A1 GLN 943 HA -0.11 0.10 0.36 -0.75 4.36 3.96 2nm1A1 GLN 943 HB2 0.05 -0.03 0.06 -0.04 2.15 2.19 2nm1A1 GLN 943 HB3 0.10 0.07 -0.06 -0.04 2.02 2.08 2nm1A1 GLN 943 HG2 0.08 -0.03 0.02 -0.04 2.40 2.43 2nm1A1 GLN 943 HG3 0.10 0.05 -0.00 -0.04 2.39 2.50 2nm1A1 GLN 943 HE21 0.16 0.03 -0.02 -0.04 6.97 7.10 2nm1A1 GLN 943 HE22 0.27 0.02 -0.01 -0.04 7.69 7.92 2nm1A1 ASN 944 H 0.04 0.11 -0.16 -0.55 8.53 7.97 2nm1A1 ASN 944 HA 0.06 0.05 0.41 -0.75 4.76 4.52 2nm1A1 ASN 944 HB2 0.05 0.06 0.09 -0.04 2.88 3.04 2nm1A1 ASN 944 HB3 0.04 0.08 0.04 -0.04 2.79 2.90 2nm1A1 ASN 944 HD21 0.03 0.02 0.02 -0.04 7.03 7.05 2nm1A1 ASN 944 HD22 0.03 0.01 0.05 -0.04 7.74 7.79 2nm1A1 TYR 945 H 0.13 0.34 -0.26 -0.55 8.29 7.95 2nm1A1 TYR 945 HA 0.02 0.04 0.41 -0.75 4.56 4.28 2nm1A1 TYR 945 HB2 0.02 -0.06 0.12 -0.04 3.06 3.10 2nm1A1 TYR 945 HB3 -0.05 0.18 0.23 -0.04 2.98 3.29 2nm1A1 TYR 945 HD2 -0.02 0.03 -0.03 -0.04 7.15 7.08 2nm1A1 TYR 945 HE2 0.06 0.12 -0.09 -0.04 6.85 6.89 2nm1A1 ILE 946 H -0.01 0.54 -0.03 -0.55 8.25 8.20 2nm1A1 ILE 946 HA -0.24 -0.03 0.32 -0.75 4.18 3.48 2nm1A1 ILE 946 HB -0.45 0.07 0.14 -0.04 1.89 1.60 2nm1A1 ILE 946 HG12 -0.36 -0.05 -0.01 -0.04 1.49 1.03 2nm1A1 ILE 946 HG13 -0.16 -0.02 0.03 -0.04 1.21 1.02 2nm1A1 ILE 946 HG23 -0.50 -0.01 -0.19 -0.04 0.93 0.19 2nm1A1 ILE 946 HD13 0.11 -0.01 0.01 -0.04 0.88 0.95 2nm1A1 HIS 947 H -0.14 0.32 -0.27 -0.55 8.41 7.78 2nm1A1 HIS 947 HA -0.08 0.20 0.98 -0.75 4.63 4.97 2nm1A1 HIS 947 HB2 -0.02 0.01 0.04 -0.04 3.26 3.25 2nm1A1 HIS 947 HB3 -0.03 -0.06 0.00 -0.04 3.20 3.07 2nm1A1 HIS 947 HD2 -0.00 -0.06 -0.08 -0.04 6.97 6.78 2nm1A1 HIS 947 HE1 -0.09 -0.02 -0.07 -0.04 7.75 7.53 2nm1A1 ASN 948 H 0.03 0.73 0.13 -0.55 8.53 8.88 2nm1A1 ASN 948 HA 0.04 0.00 0.75 -0.75 4.76 4.80 2nm1A1 ASN 948 HB2 0.05 0.12 0.24 -0.04 2.88 3.24 2nm1A1 ASN 948 HB3 0.06 0.07 0.02 -0.04 2.79 2.90 2nm1A1 ASN 948 HD21 0.03 -0.08 0.02 -0.04 7.03 6.96 2nm1A1 ASN 948 HD22 0.03 -0.02 0.09 -0.04 7.74 7.80 2nm1A1 GLU 949 H 0.02 0.12 0.26 -0.55 8.60 8.46 2nm1A1 GLU 949 HA -0.04 0.29 0.88 -0.75 4.29 4.68 2nm1A1 GLU 949 HB2 -0.06 0.03 0.01 -0.04 2.09 2.03 2nm1A1 GLU 949 HB3 -0.02 -0.07 0.06 -0.04 1.99 1.92 2nm1A1 GLU 949 HG2 -0.08 -0.01 -0.32 -0.04 2.34 1.90 2nm1A1 GLU 949 HG3 -0.12 0.01 -0.34 -0.04 2.34 1.85 2nm1A1 TYR 950 H -0.28 0.77 0.37 -0.55 8.29 8.61 2nm1A1 TYR 950 HA -0.02 0.21 0.89 -0.75 4.56 4.89 2nm1A1 TYR 950 HB2 -0.01 -0.00 -0.26 -0.04 3.06 2.75 2nm1A1 TYR 950 HB3 -0.02 -0.05 -0.40 -0.04 2.98 2.47 2nm1A1 TYR 950 HD2 -0.02 0.11 -0.21 -0.04 7.15 6.99 2nm1A1 TYR 950 HE2 -0.03 -0.01 -0.09 -0.04 6.85 6.67 2nm1A1 THR 951 H 0.07 0.67 0.33 -0.55 8.28 8.80 2nm1A1 THR 951 HA -0.03 0.03 0.77 -0.75 4.39 4.40 2nm1A1 THR 951 HB 0.00 0.03 0.18 -0.04 4.32 4.49 2nm1A1 THR 951 HG23 -0.05 0.03 -0.19 -0.04 1.22 0.97 2nm1A1 ILE 952 H 0.01 0.56 0.47 -0.55 8.25 8.74 2nm1A1 ILE 952 HA 0.09 0.26 0.90 -0.75 4.18 4.67 2nm1A1 ILE 952 HB 0.10 -0.04 -0.06 -0.04 1.89 1.85 2nm1A1 ILE 952 HG12 0.03 0.02 -0.18 -0.04 1.49 1.33 2nm1A1 ILE 952 HG13 0.03 0.01 -0.08 -0.04 1.21 1.12 2nm1A1 ILE 952 HG23 0.10 0.01 -0.24 -0.04 0.93 0.76 2nm1A1 ILE 952 HD13 0.06 -0.01 -0.16 -0.04 0.88 0.73 2nm1A1 ILE 953 H -0.00 0.37 0.38 -0.55 8.25 8.45 2nm1A1 ILE 953 HA -0.26 0.35 1.00 -0.75 4.18 4.51 2nm1A1 ILE 953 HB 0.07 -0.10 0.11 -0.04 1.89 1.94 2nm1A1 ILE 953 HG12 -0.51 0.06 -0.08 -0.04 1.49 0.92 2nm1A1 ILE 953 HG13 -0.06 -0.09 -0.49 -0.04 1.21 0.53 2nm1A1 ILE 953 HG23 -0.46 -0.00 -0.22 -0.04 0.93 0.21 2nm1A1 ILE 953 HD13 -0.21 -0.00 -0.12 -0.04 0.88 0.50 2nm1A1 ASN 954 H -0.29 0.60 0.29 -0.55 8.53 8.59 2nm1A1 ASN 954 HA -0.30 0.15 1.10 -0.75 4.76 4.96 2nm1A1 ASN 954 HB2 -0.14 0.00 -0.16 -0.04 2.88 2.55 2nm1A1 ASN 954 HB3 -0.18 0.01 0.13 -0.04 2.79 2.71 2nm1A1 ASN 954 HD21 -0.14 -0.03 -0.12 -0.04 7.03 6.70 2nm1A1 ASN 954 HD22 -0.14 0.00 -0.08 -0.04 7.74 7.48 2nm1A1 CYS 955 H -0.78 0.73 0.25 -0.55 8.50 8.15 2nm1A1 CYS 955 HA -0.49 0.43 0.97 -0.75 4.58 4.74 2nm1A1 CYS 955 HB2 -1.32 -0.07 -0.12 -0.04 2.97 1.41 2nm1A1 CYS 955 HB3 -2.72 -0.06 0.17 -0.04 2.97 0.31 2nm1A1 MET 956 H -0.27 0.22 0.03 -0.55 8.47 7.91 2nm1A1 MET 956 HA -0.23 0.39 1.10 -0.75 4.52 5.03 2nm1A1 MET 956 HB2 -0.15 -0.02 -0.02 -0.04 2.15 1.91 2nm1A1 MET 956 HB3 -0.13 -0.09 -0.15 -0.04 2.03 1.62 2nm1A1 MET 956 HG2 -0.24 -0.07 -0.36 -0.04 2.63 1.92 2nm1A1 MET 956 HG3 -0.14 -0.00 -0.20 -0.04 2.56 2.18 2nm1A1 MET 956 HE3 -0.08 0.01 -0.31 -0.04 2.10 1.68 2nm1A1 LYS 957 H -0.12 1.02 0.35 -0.55 8.42 9.13 2nm1A1 LYS 957 HA -0.08 0.08 0.80 -0.75 4.32 4.37 2nm1A1 LYS 957 HB2 -0.09 -0.03 -0.17 -0.04 1.87 1.53 2nm1A1 LYS 957 HB3 -0.08 0.02 0.05 -0.04 1.79 1.74 2nm1A1 LYS 957 HG2 -0.05 0.02 -0.12 -0.04 1.46 1.27 2nm1A1 LYS 957 HG3 -0.05 0.00 0.07 -0.04 1.46 1.45 2nm1A1 LYS 957 HD2 -0.04 0.02 -0.15 -0.04 1.69 1.47 2nm1A1 LYS 957 HD3 -0.05 -0.07 -0.13 -0.04 1.68 1.38 2nm1A1 LYS 957 HE2 -0.02 0.03 -0.08 -0.04 2.99 2.88 2nm1A1 LYS 957 HE3 -0.03 0.00 -0.06 -0.04 2.99 2.86 2nm1A1 ASN 958 H -0.05 0.17 0.12 -0.55 8.53 8.23 2nm1A1 ASN 958 HA -0.04 0.04 0.33 -0.75 4.76 4.34 2nm1A1 ASN 958 HB2 -0.04 0.12 -0.07 -0.04 2.88 2.85 2nm1A1 ASN 958 HB3 -0.03 0.04 0.19 -0.04 2.79 2.96 2nm1A1 ASN 958 HD21 -0.02 0.01 -0.04 -0.04 7.03 6.94 2nm1A1 ASN 958 HD22 -0.03 0.03 -0.08 -0.04 7.74 7.62 2nm1A1 ASN 959 H -0.06 -0.00 -0.34 -0.55 8.53 7.58 2nm1A1 ASN 959 HA -0.06 -0.03 0.17 -0.75 4.76 4.08 2nm1A1 ASN 959 HB2 -0.03 0.27 0.10 -0.04 2.88 3.18 2nm1A1 ASN 959 HB3 -0.04 -0.01 0.13 -0.04 2.79 2.84 2nm1A1 ASN 959 HD21 -0.03 -0.04 -0.12 -0.04 7.03 6.80 2nm1A1 ASN 959 HD22 -0.03 0.12 -0.15 -0.04 7.74 7.63 2nm1A1 SER 960 H -0.07 0.37 -0.29 -0.55 8.46 7.92 2nm1A1 SER 960 HA -0.05 0.28 0.79 -0.75 4.49 4.77 2nm1A1 SER 960 HB2 -0.03 0.09 -0.21 -0.04 3.95 3.75 2nm1A1 SER 960 HB3 -0.05 0.03 0.09 -0.04 3.93 3.96 2nm1A1 GLY 961 H -0.04 0.56 0.40 -0.55 8.43 8.80 2nm1A1 GLY 961 HA2 -0.03 0.17 0.36 -0.51 4.01 4.00 2nm1A1 GLY 961 HA3 -0.20 0.29 1.03 -0.51 4.01 4.62 2nm1A1 TRP 962 H -0.58 0.53 0.34 -0.55 7.97 7.71 2nm1A1 TRP 962 HA -0.36 0.37 1.10 -0.75 4.62 4.97 2nm1A1 TRP 962 HB2 -1.07 -0.01 0.07 -0.04 3.23 2.19 2nm1A1 TRP 962 HB3 -0.25 -0.03 -0.07 -0.04 3.23 2.85 2nm1A1 TRP 962 HD1 -0.02 -0.05 -0.11 -0.04 7.22 7.00 2nm1A1 TRP 962 HE1 0.07 0.14 0.02 -0.04 10.20 10.39 2nm1A1 TRP 962 HE3 0.03 0.02 -0.41 -0.04 7.59 7.19 2nm1A1 TRP 962 HZ2 0.31 0.04 -0.10 -0.04 7.44 7.65 2nm1A1 TRP 962 HZ3 0.29 -0.02 -0.20 -0.04 7.13 7.15 2nm1A1 TRP 962 HH2 0.41 -0.02 -0.16 -0.04 7.19 7.39 2nm1A1 LYS 963 H -0.27 0.49 0.39 -0.55 8.42 8.47 2nm1A1 LYS 963 HA 0.02 0.13 0.74 -0.75 4.32 4.45 2nm1A1 LYS 963 HB2 -0.07 0.11 0.16 -0.04 1.87 2.02 2nm1A1 LYS 963 HB3 -0.15 -0.01 -0.18 -0.04 1.79 1.40 2nm1A1 LYS 963 HG2 -0.11 -0.01 -0.13 -0.04 1.46 1.17 2nm1A1 LYS 963 HG3 -0.05 -0.03 -0.31 -0.04 1.46 1.03 2nm1A1 LYS 963 HD2 -0.05 0.01 -0.18 -0.04 1.69 1.43 2nm1A1 LYS 963 HD3 -0.08 -0.00 -0.15 -0.04 1.68 1.40 2nm1A1 LYS 963 HE2 -0.06 -0.00 -0.18 -0.04 2.99 2.70 2nm1A1 LYS 963 HE3 -0.04 -0.03 -0.20 -0.04 2.99 2.68 2nm1A1 ILE 964 H 0.14 0.76 0.44 -0.55 8.25 9.04 2nm1A1 ILE 964 HA 0.30 0.37 1.13 -0.75 4.18 5.22 2nm1A1 ILE 964 HB 0.24 -0.09 0.20 -0.04 1.89 2.19 2nm1A1 ILE 964 HG12 0.82 0.04 -0.04 -0.04 1.49 2.27 2nm1A1 ILE 964 HG13 0.78 -0.10 -0.30 -0.04 1.21 1.56 2nm1A1 ILE 964 HG23 0.29 0.01 -0.08 -0.04 0.93 1.10 2nm1A1 ILE 964 HD13 0.59 -0.00 -0.11 -0.04 0.88 1.32 2nm1A1 SER 965 H 0.11 0.69 0.39 -0.55 8.46 9.11 2nm1A1 SER 965 HA -0.06 0.09 1.04 -0.75 4.49 4.80 2nm1A1 SER 965 HB2 -0.10 0.08 -0.17 -0.04 3.95 3.73 2nm1A1 SER 965 HB3 -0.03 -0.05 -0.21 -0.04 3.93 3.60 2nm1A1 ILE 966 H -0.42 0.82 0.36 -0.55 8.25 8.46 2nm1A1 ILE 966 HA -0.17 0.23 1.07 -0.75 4.18 4.56 2nm1A1 ILE 966 HB -1.22 -0.01 0.07 -0.04 1.89 0.69 2nm1A1 ILE 966 HG12 0.00 0.05 -0.02 -0.04 1.49 1.48 2nm1A1 ILE 966 HG13 -0.11 -0.13 -0.47 -0.04 1.21 0.46 2nm1A1 ILE 966 HG23 -0.17 0.01 -0.19 -0.04 0.93 0.54 2nm1A1 ILE 966 HD13 0.07 0.00 -0.11 -0.04 0.88 0.80 2nm1A1 ARG 967 H -0.20 0.55 0.08 -0.55 8.46 8.35 2nm1A1 ARG 967 HA -0.15 0.31 0.81 -0.75 4.34 4.55 2nm1A1 ARG 967 HB2 -0.15 -0.09 -0.15 -0.04 1.90 1.47 2nm1A1 ARG 967 HB3 -0.20 -0.08 0.07 -0.04 1.80 1.55 2nm1A1 ARG 967 HG2 -0.16 0.14 -0.36 -0.04 1.67 1.24 2nm1A1 ARG 967 HG3 -0.08 0.03 -0.66 -0.04 1.67 0.91 2nm1A1 ARG 967 HD2 -0.05 0.11 -0.05 -0.04 3.22 3.19 2nm1A1 ARG 967 HD3 -0.09 -0.11 -0.10 -0.04 3.22 2.88 2nm1A1 GLY 968 H -0.24 0.23 0.05 -0.55 8.43 7.92 2nm1A1 GLY 968 HA2 -1.59 -0.03 0.30 -0.51 4.01 2.17 2nm1A1 GLY 968 HA3 -0.84 -0.01 0.29 -0.51 4.01 2.93 2nm1A1 ASN 969 H -0.35 0.14 0.20 -0.55 8.53 7.98 2nm1A1 ASN 969 HA -0.27 0.18 0.69 -0.75 4.76 4.60 2nm1A1 ASN 969 HB2 -0.79 0.05 0.27 -0.04 2.88 2.37 2nm1A1 ASN 969 HB3 0.10 -0.04 0.05 -0.04 2.79 2.87 2nm1A1 ASN 969 HD21 -0.13 -0.07 -0.01 -0.04 7.03 6.78 2nm1A1 ASN 969 HD22 -0.21 0.48 0.10 -0.04 7.74 8.07 2nm1A1 ARG 970 H -0.26 0.44 -0.38 -0.55 8.46 7.71 2nm1A1 ARG 970 HA -0.19 0.29 1.06 -0.75 4.34 4.75 2nm1A1 ARG 970 HB2 -0.27 -0.05 -0.09 -0.04 1.90 1.45 2nm1A1 ARG 970 HB3 -0.25 0.15 0.09 -0.04 1.80 1.76 2nm1A1 ARG 970 HG2 -0.11 -0.04 -0.48 -0.04 1.67 1.01 2nm1A1 ARG 970 HG3 -0.01 -0.04 -0.23 -0.04 1.67 1.35 2nm1A1 ARG 970 HD2 -0.44 0.02 -0.13 -0.04 3.22 2.64 2nm1A1 ARG 970 HD3 -1.08 -0.05 -0.18 -0.04 3.22 1.87 2nm1A1 ILE 971 H 0.16 0.66 0.35 -0.55 8.25 8.86 2nm1A1 ILE 971 HA 0.12 0.22 0.93 -0.75 4.18 4.69 2nm1A1 ILE 971 HB 0.35 -0.10 0.14 -0.04 1.89 2.25 2nm1A1 ILE 971 HG12 0.34 0.05 -0.12 -0.04 1.49 1.72 2nm1A1 ILE 971 HG13 0.43 0.01 -0.13 -0.04 1.21 1.48 2nm1A1 ILE 971 HG23 0.32 0.01 -0.08 -0.04 0.93 1.13 2nm1A1 ILE 971 HD13 0.72 -0.01 -0.09 -0.04 0.88 1.46 2nm1A1 ILE 972 H 0.13 0.84 0.34 -0.55 8.25 9.00 2nm1A1 ILE 972 HA 0.27 0.19 1.11 -0.75 4.18 5.00 2nm1A1 ILE 972 HB 0.05 -0.07 -0.08 -0.04 1.89 1.75 2nm1A1 ILE 972 HG12 -0.01 0.00 -0.31 -0.04 1.49 1.13 2nm1A1 ILE 972 HG13 0.02 -0.13 -0.72 -0.04 1.21 0.34 2nm1A1 ILE 972 HG23 0.11 -0.00 -0.29 -0.04 0.93 0.71 2nm1A1 ILE 972 HD13 -0.12 0.00 -0.29 -0.04 0.88 0.44 2nm1A1 TRP 973 H 0.37 0.69 0.39 -0.55 7.97 8.87 2nm1A1 TRP 973 HA 0.15 0.25 1.02 -0.75 4.62 5.29 2nm1A1 TRP 973 HB2 0.10 -0.02 0.02 -0.04 3.23 3.29 2nm1A1 TRP 973 HB3 0.07 0.04 0.19 -0.04 3.23 3.48 2nm1A1 TRP 973 HD1 0.04 -0.07 -0.19 -0.04 7.22 6.96 2nm1A1 TRP 973 HE1 0.04 -0.02 -0.18 -0.04 10.20 9.99 2nm1A1 TRP 973 HE3 0.17 0.02 -0.05 -0.04 7.59 7.69 2nm1A1 TRP 973 HZ2 -0.08 -0.01 -0.17 -0.04 7.44 7.14 2nm1A1 TRP 973 HZ3 -0.21 -0.01 -0.15 -0.04 7.13 6.72 2nm1A1 TRP 973 HH2 -0.99 0.00 -0.14 -0.04 7.19 6.02 2nm1A1 THR 974 H -0.41 0.58 0.37 -0.55 8.28 8.27 2nm1A1 THR 974 HA -0.14 0.29 1.19 -0.75 4.39 4.97 2nm1A1 THR 974 HB -0.13 -0.04 0.01 -0.04 4.32 4.12 2nm1A1 THR 974 HG23 -0.07 0.01 -0.21 -0.04 1.22 0.91 2nm1A1 LEU 975 H -0.11 0.67 0.40 -0.55 8.37 8.79 2nm1A1 LEU 975 HA -0.12 0.28 1.08 -0.75 4.35 4.83 2nm1A1 LEU 975 HB2 0.04 -0.04 0.10 -0.04 1.64 1.71 2nm1A1 LEU 975 HB3 0.07 0.02 -0.05 -0.04 1.64 1.64 2nm1A1 LEU 975 HG -0.01 -0.05 -0.23 -0.04 1.64 1.30 2nm1A1 LEU 975 HD13 0.32 -0.01 -0.11 -0.04 0.93 1.09 2nm1A1 LEU 975 HD23 0.28 0.02 -0.11 -0.04 0.89 1.04 2nm1A1 ILE 976 H -0.02 0.65 0.32 -0.55 8.25 8.65 2nm1A1 ILE 976 HA -0.01 0.35 1.00 -0.75 4.18 4.76 2nm1A1 ILE 976 HB -0.05 -0.12 0.09 -0.04 1.89 1.77 2nm1A1 ILE 976 HG12 -0.04 0.05 -0.17 -0.04 1.49 1.29 2nm1A1 ILE 976 HG13 -0.06 -0.13 -0.59 -0.04 1.21 0.38 2nm1A1 ILE 976 HG23 -0.03 0.06 -0.06 -0.04 0.93 0.85 2nm1A1 ILE 976 HD13 -0.06 -0.01 -0.20 -0.04 0.88 0.57 2nm1A1 ASP 977 H 0.01 0.47 0.19 -0.55 8.40 8.51 2nm1A1 ASP 977 HA 0.01 0.16 0.82 -0.75 4.63 4.86 2nm1A1 ASP 977 HB2 0.02 0.16 -0.12 -0.04 2.71 2.73 2nm1A1 ASP 977 HB3 0.03 0.07 -0.07 -0.04 2.70 2.69 2nm1A1 ILE 978 H 0.00 0.56 0.27 -0.55 8.25 8.53 2nm1A1 ILE 978 HA -0.02 0.20 0.48 -0.75 4.18 4.09 2nm1A1 ILE 978 HB -0.01 0.02 0.09 -0.04 1.89 1.96 2nm1A1 ILE 978 HG12 0.00 0.05 0.17 -0.04 1.49 1.67 2nm1A1 ILE 978 HG13 0.00 -0.01 -0.08 -0.04 1.21 1.09 2nm1A1 ILE 978 HG23 -0.02 0.03 -0.02 -0.04 0.93 0.89 2nm1A1 ILE 978 HD13 0.00 -0.00 0.02 -0.04 0.88 0.85 2nm1A1 ASN 979 H 0.00 -0.00 -0.22 -0.55 8.53 7.76 2nm1A1 ASN 979 HA -0.00 0.19 0.68 -0.75 4.76 4.87 2nm1A1 ASN 979 HB2 0.01 -0.09 0.07 -0.04 2.88 2.83 2nm1A1 ASN 979 HB3 0.00 0.05 0.11 -0.04 2.79 2.91 2nm1A1 ASN 979 HD21 0.01 0.02 0.03 -0.04 7.03 7.05 2nm1A1 ASN 979 HD22 0.01 -0.00 0.05 -0.04 7.74 7.76 2nm1A1 GLY 980 H -0.01 0.38 -0.41 -0.55 8.43 7.84 2nm1A1 GLY 980 HA2 -0.02 0.16 0.27 -0.51 4.01 3.91 2nm1A1 GLY 980 HA3 -0.01 0.13 0.58 -0.51 4.01 4.20 2nm1A1 LYS 981 H 0.00 -0.11 -0.27 -0.55 8.42 7.49 2nm1A1 LYS 981 HA 0.00 0.11 0.51 -0.75 4.32 4.19 2nm1A1 LYS 981 HB2 0.01 0.02 0.02 -0.04 1.87 1.88 2nm1A1 LYS 981 HB3 0.01 -0.12 0.03 -0.04 1.79 1.67 2nm1A1 LYS 981 HG2 0.02 0.04 -0.16 -0.04 1.46 1.32 2nm1A1 LYS 981 HG3 0.01 0.01 0.08 -0.04 1.46 1.51 2nm1A1 LYS 981 HD2 0.02 0.09 -0.12 -0.04 1.69 1.64 2nm1A1 LYS 981 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.58 2nm1A1 LYS 981 HE2 0.01 0.01 -0.00 -0.04 2.99 2.96 2nm1A1 LYS 981 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.90 2nm1A1 THR 982 H 0.00 0.16 0.24 -0.55 8.28 8.13 2nm1A1 THR 982 HA 0.00 0.42 1.24 -0.75 4.39 5.30 2nm1A1 THR 982 HB -0.00 -0.06 0.04 -0.04 4.32 4.25 2nm1A1 THR 982 HG23 -0.02 0.02 -0.08 -0.04 1.22 1.10 2nm1A1 LYS 983 H 0.01 0.55 0.38 -0.55 8.42 8.81 2nm1A1 LYS 983 HA 0.04 0.09 0.70 -0.75 4.32 4.40 2nm1A1 LYS 983 HB2 0.06 -0.04 0.01 -0.04 1.87 1.86 2nm1A1 LYS 983 HB3 0.07 0.04 0.02 -0.04 1.79 1.89 2nm1A1 LYS 983 HG2 0.04 0.07 -0.53 -0.04 1.46 0.99 2nm1A1 LYS 983 HG3 0.05 -0.08 -0.05 -0.04 1.46 1.34 2nm1A1 LYS 983 HD2 0.04 0.07 0.13 -0.04 1.69 1.89 2nm1A1 LYS 983 HD3 0.04 0.04 0.24 -0.04 1.68 1.96 2nm1A1 LYS 983 HE2 0.02 0.02 0.05 -0.04 2.99 3.05 2nm1A1 LYS 983 HE3 0.03 -0.13 -0.00 -0.04 2.99 2.85 2nm1A1 SER 984 H 0.08 0.24 0.24 -0.55 8.46 8.47 2nm1A1 SER 984 HA 0.11 0.34 1.06 -0.75 4.49 5.25 2nm1A1 SER 984 HB2 0.10 -0.06 -0.03 -0.04 3.95 3.93 2nm1A1 SER 984 HB3 0.14 0.02 0.01 -0.04 3.93 4.07 2nm1A1 VAL 985 H 0.26 0.66 0.36 -0.55 8.24 8.97 2nm1A1 VAL 985 HA 0.07 0.10 0.62 -0.75 4.13 4.16 2nm1A1 VAL 985 HB 0.10 0.03 -0.12 -0.04 2.12 2.08 2nm1A1 VAL 985 HG13 0.23 -0.00 -0.19 -0.04 0.97 0.96 2nm1A1 VAL 985 HG23 -0.07 0.04 -0.20 -0.04 0.95 0.68 2nm1A1 PHE 986 H -0.33 0.20 0.16 -0.55 8.34 7.83 2nm1A1 PHE 986 HA 0.12 0.25 1.01 -0.75 4.62 5.24 2nm1A1 PHE 986 HB2 0.03 0.13 -0.03 -0.04 3.15 3.24 2nm1A1 PHE 986 HB3 0.05 -0.07 -0.23 -0.04 3.06 2.76 2nm1A1 PHE 986 HD2 -0.03 -0.03 -0.33 -0.04 7.28 6.85 2nm1A1 PHE 986 HE2 -0.06 0.00 -0.07 -0.04 7.38 7.22 2nm1A1 PHE 986 HZ -0.04 0.01 -0.03 -0.04 7.32 7.21 2nm1A1 PHE 987 H 0.36 0.62 0.33 -0.55 8.34 9.10 2nm1A1 PHE 987 HA -0.07 0.16 0.89 -0.75 4.62 4.85 2nm1A1 PHE 987 HB2 -0.06 -0.02 -0.08 -0.04 3.15 2.95 2nm1A1 PHE 987 HB3 0.06 -0.01 0.11 -0.04 3.06 3.17 2nm1A1 PHE 987 HD2 -0.05 -0.00 -0.06 -0.04 7.28 7.12 2nm1A1 PHE 987 HE2 -0.52 0.01 -0.07 -0.04 7.38 6.75 2nm1A1 PHE 987 HZ -0.91 -0.03 -0.07 -0.04 7.32 6.26 2nm1A1 GLU 988 H -0.43 0.23 0.15 -0.55 8.60 8.00 2nm1A1 GLU 988 HA -0.45 0.40 1.19 -0.75 4.29 4.67 2nm1A1 GLU 988 HB2 0.02 -0.06 -0.10 -0.04 2.09 1.91 2nm1A1 GLU 988 HB3 -0.06 -0.05 0.07 -0.04 1.99 1.91 2nm1A1 GLU 988 HG2 -0.23 0.02 -0.28 -0.04 2.34 1.81 2nm1A1 GLU 988 HG3 -0.29 0.09 -0.17 -0.04 2.34 1.93 2nm1A1 TYR 989 H -1.05 0.57 0.30 -0.55 8.29 7.56 2nm1A1 TYR 989 HA -0.39 0.15 1.03 -0.75 4.56 4.59 2nm1A1 TYR 989 HB2 0.04 -0.04 0.07 -0.04 3.06 3.08 2nm1A1 TYR 989 HB3 -0.60 0.01 0.01 -0.04 2.98 2.36 2nm1A1 TYR 989 HD2 -0.02 0.02 -0.16 -0.04 7.15 6.95 2nm1A1 TYR 989 HE2 0.30 -0.01 -0.10 -0.04 6.85 7.00 2nm1A1 ASN 990 H 0.12 0.09 0.18 -0.55 8.53 8.38 2nm1A1 ASN 990 HA 0.05 0.09 0.45 -0.75 4.76 4.59 2nm1A1 ASN 990 HB2 0.09 0.07 0.17 -0.04 2.88 3.16 2nm1A1 ASN 990 HB3 0.16 -0.04 0.13 -0.04 2.79 3.00 2nm1A1 ASN 990 HD21 0.06 0.06 0.00 -0.04 7.03 7.11 2nm1A1 ASN 990 HD22 0.04 0.05 0.04 -0.04 7.74 7.83 2nm1A1 ILE 991 H 0.09 0.19 0.19 -0.55 8.25 8.16 2nm1A1 ILE 991 HA 0.29 0.22 1.01 -0.75 4.18 4.95 2nm1A1 ILE 991 HB 0.12 -0.03 0.27 -0.04 1.89 2.20 2nm1A1 ILE 991 HG12 0.04 -0.05 0.13 -0.04 1.49 1.57 2nm1A1 ILE 991 HG13 0.01 0.20 0.09 -0.04 1.21 1.47 2nm1A1 ILE 991 HG23 0.33 0.03 -0.04 -0.04 0.93 1.20 2nm1A1 ILE 991 HD13 -0.04 -0.03 0.02 -0.04 0.88 0.79 2nm1A1 ARG 992 H 0.15 -0.06 -0.07 -0.55 8.46 7.92 2nm1A1 ARG 992 HA 0.13 0.16 0.92 -0.75 4.34 4.80 2nm1A1 ARG 992 HB2 0.08 -0.08 -0.01 -0.04 1.90 1.84 2nm1A1 ARG 992 HB3 0.08 0.01 0.06 -0.04 1.80 1.91 2nm1A1 ARG 992 HG2 0.06 0.03 -0.32 -0.04 1.67 1.41 2nm1A1 ARG 992 HG3 0.06 0.07 -0.59 -0.04 1.67 1.17 2nm1A1 ARG 992 HD2 0.06 0.18 -0.05 -0.04 3.22 3.37 2nm1A1 ARG 992 HD3 0.05 -0.16 -0.06 -0.04 3.22 3.01 2nm1A1 GLU 993 H 0.18 -0.04 -0.06 -0.55 8.60 8.14 2nm1A1 GLU 993 HA 0.12 0.09 0.47 -0.75 4.29 4.22 2nm1A1 GLU 993 HB2 0.18 0.01 -0.18 -0.04 2.09 2.06 2nm1A1 GLU 993 HB3 0.14 0.00 -0.07 -0.04 1.99 2.02 2nm1A1 GLU 993 HG2 0.11 0.04 -0.02 -0.04 2.34 2.44 2nm1A1 GLU 993 HG3 0.14 -0.14 -0.02 -0.04 2.34 2.28 2nm1A1 ASP 994 H 0.12 0.10 0.08 -0.55 8.40 8.15 2nm1A1 ASP 994 HA 0.16 0.05 0.28 -0.75 4.63 4.35 2nm1A1 ASP 994 HB2 0.11 -0.06 0.10 -0.04 2.71 2.82 2nm1A1 ASP 994 HB3 0.13 0.06 -0.07 -0.04 2.70 2.78 2nm1A1 ILE 995 H 0.14 0.08 -0.13 -0.55 8.25 7.80 2nm1A1 ILE 995 HA 0.14 0.23 0.86 -0.75 4.18 4.65 2nm1A1 ILE 995 HB 0.15 -0.08 0.04 -0.04 1.89 1.96 2nm1A1 ILE 995 HG12 0.17 -0.22 -0.44 -0.04 1.49 0.97 2nm1A1 ILE 995 HG13 0.36 0.02 -0.10 -0.04 1.21 1.44 2nm1A1 ILE 995 HG23 -0.04 0.03 -0.18 -0.04 0.93 0.70 2nm1A1 ILE 995 HD13 0.06 0.08 -0.07 -0.04 0.88 0.90 2nm1A1 SER 996 H 0.17 0.22 0.05 -0.55 8.46 8.36 2nm1A1 SER 996 HA 0.12 0.10 0.75 -0.75 4.49 4.70 2nm1A1 SER 996 HB2 0.26 0.10 0.08 -0.04 3.95 4.35 2nm1A1 SER 996 HB3 0.26 0.10 0.14 -0.04 3.93 4.40 2nm1A1 GLU 997 H -0.07 0.10 0.18 -0.55 8.60 8.27 2nm1A1 GLU 997 HA -0.25 0.21 0.59 -0.75 4.29 4.09 2nm1A1 GLU 997 HB2 -0.76 -0.06 0.07 -0.04 2.09 1.30 2nm1A1 GLU 997 HB3 -0.54 0.07 0.08 -0.04 1.99 1.56 2nm1A1 GLU 997 HG2 -0.10 -0.03 0.01 -0.04 2.34 2.18 2nm1A1 GLU 997 HG3 -0.15 -0.01 0.02 -0.04 2.34 2.16 2nm1A1 TYR 998 H -0.01 -0.15 -0.15 -0.55 8.29 7.43 2nm1A1 TYR 998 HA 0.07 0.40 0.99 -0.75 4.56 5.27 2nm1A1 TYR 998 HB2 -0.57 -0.04 -0.00 -0.04 3.06 2.40 2nm1A1 TYR 998 HB3 -0.64 0.05 -0.02 -0.04 2.98 2.32 2nm1A1 TYR 998 HD2 -0.45 0.01 -0.02 -0.04 7.15 6.64 2nm1A1 TYR 998 HE2 -0.09 -0.01 -0.03 -0.04 6.85 6.67 2nm1A1 ILE 999 H 0.15 -0.07 -0.02 -0.55 8.25 7.76 2nm1A1 ILE 999 HA 0.14 0.09 0.41 -0.75 4.18 4.07 2nm1A1 ILE 999 HB 0.48 -0.02 0.11 -0.04 1.89 2.42 2nm1A1 ILE 999 HG12 0.45 0.06 0.01 -0.04 1.49 1.97 2nm1A1 ILE 999 HG13 0.28 -0.14 0.08 -0.04 1.21 1.39 2nm1A1 ILE 999 HG23 0.23 0.02 -0.10 -0.04 0.93 1.05 2nm1A1 ILE 999 HD13 0.38 0.01 0.08 -0.04 0.88 1.30 2nm1A1 ASN 1000 H 0.17 0.48 0.28 -0.55 8.53 8.91 2nm1A1 ASN 1000 HA 0.03 0.01 0.06 -0.75 4.76 4.11 2nm1A1 ASN 1000 HB2 0.14 -0.07 -0.12 -0.04 2.88 2.79 2nm1A1 ASN 1000 HB3 0.22 0.15 -0.06 -0.04 2.79 3.05 2nm1A1 ASN 1000 HD21 -0.91 -0.19 -0.16 -0.04 7.03 5.73 2nm1A1 ASN 1000 HD22 -1.83 0.07 -0.17 -0.04 7.74 5.77 2nm1A1 ARG 1001 H 0.25 0.38 -0.62 -0.55 8.46 7.92 2nm1A1 ARG 1001 HA 0.31 0.16 0.95 -0.75 4.34 5.01 2nm1A1 ARG 1001 HB2 0.22 0.01 -0.24 -0.04 1.90 1.84 2nm1A1 ARG 1001 HB3 0.24 0.09 -0.03 -0.04 1.80 2.06 2nm1A1 ARG 1001 HG2 0.27 -0.06 -0.25 -0.04 1.67 1.59 2nm1A1 ARG 1001 HG3 0.31 0.25 -0.51 -0.04 1.67 1.68 2nm1A1 ARG 1001 HD2 -0.30 -0.01 -0.15 -0.04 3.22 2.71 2nm1A1 ARG 1001 HD3 -0.17 -0.05 -0.36 -0.04 3.22 2.60 2nm1A1 TRP 1002 H 0.41 0.63 0.24 -0.55 7.97 8.70 2nm1A1 TRP 1002 HA 0.26 0.15 0.48 -0.75 4.62 4.76 2nm1A1 TRP 1002 HB2 0.25 0.05 0.18 -0.04 3.23 3.67 2nm1A1 TRP 1002 HB3 0.43 -0.05 -0.07 -0.04 3.23 3.50 2nm1A1 TRP 1002 HD1 -0.06 0.01 -0.29 -0.04 7.22 6.84 2nm1A1 TRP 1002 HE1 -0.25 -0.09 -0.20 -0.04 10.20 9.63 2nm1A1 TRP 1002 HE3 0.34 0.03 -0.28 -0.04 7.59 7.64 2nm1A1 TRP 1002 HZ2 -0.28 -0.07 -0.17 -0.04 7.44 6.87 2nm1A1 TRP 1002 HZ3 0.22 0.07 -0.61 -0.04 7.13 6.77 2nm1A1 TRP 1002 HH2 0.14 -0.00 -0.42 -0.04 7.19 6.87 2nm1A1 PHE 1003 H 0.37 0.48 0.47 -0.55 8.34 9.10 2nm1A1 PHE 1003 HA 0.49 0.15 0.64 -0.75 4.62 5.15 2nm1A1 PHE 1003 HB2 0.23 -0.14 0.14 -0.04 3.15 3.34 2nm1A1 PHE 1003 HB3 0.32 0.20 -0.06 -0.04 3.06 3.48 2nm1A1 PHE 1003 HD2 0.14 0.16 -0.16 -0.04 7.28 7.38 2nm1A1 PHE 1003 HE2 0.08 -0.02 -0.08 -0.04 7.38 7.32 2nm1A1 PHE 1003 HZ 0.36 -0.03 -0.10 -0.04 7.32 7.50 2nm1A1 PHE 1004 H 0.13 0.12 0.21 -0.55 8.34 8.24 2nm1A1 PHE 1004 HA -0.81 0.24 0.95 -0.75 4.62 4.24 2nm1A1 PHE 1004 HB2 -2.10 0.11 0.04 -0.04 3.15 1.16 2nm1A1 PHE 1004 HB3 -0.67 -0.20 0.21 -0.04 3.06 2.36 2nm1A1 PHE 1004 HD2 -1.02 -0.06 -0.12 -0.04 7.28 6.04 2nm1A1 PHE 1004 HE2 -0.09 0.05 -0.12 -0.04 7.38 7.18 2nm1A1 PHE 1004 HZ -0.06 -0.03 -0.13 -0.04 7.32 7.06 2nm1A1 VAL 1005 H -0.74 0.83 0.50 -0.55 8.24 8.27 2nm1A1 VAL 1005 HA -0.52 0.29 1.16 -0.75 4.13 4.31 2nm1A1 VAL 1005 HB -1.34 0.04 0.10 -0.04 2.12 0.88 2nm1A1 VAL 1005 HG13 -0.34 -0.02 -0.12 -0.04 0.97 0.45 2nm1A1 VAL 1005 HG23 0.01 0.00 -0.17 -0.04 0.95 0.75 2nm1A1 THR 1006 H -0.49 0.49 0.33 -0.55 8.28 8.07 2nm1A1 THR 1006 HA -0.54 0.31 0.96 -0.75 4.39 4.36 2nm1A1 THR 1006 HB -0.44 -0.13 0.04 -0.04 4.32 3.75 2nm1A1 THR 1006 HG23 -0.41 -0.01 -0.18 -0.04 1.22 0.58 2nm1A1 ILE 1007 H -0.46 0.82 0.42 -0.55 8.25 8.48 2nm1A1 ILE 1007 HA -0.38 0.38 1.18 -0.75 4.18 4.60 2nm1A1 ILE 1007 HB -1.05 -0.06 0.19 -0.04 1.89 0.93 2nm1A1 ILE 1007 HG12 -0.34 0.02 -0.04 -0.04 1.49 1.09 2nm1A1 ILE 1007 HG13 -0.35 -0.11 -0.35 -0.04 1.21 0.36 2nm1A1 ILE 1007 HG23 -1.71 0.01 -0.08 -0.04 0.93 -0.90 2nm1A1 ILE 1007 HD13 -0.05 0.00 -0.10 -0.04 0.88 0.70 2nm1A1 THR 1008 H -0.27 0.45 0.37 -0.55 8.28 8.28 2nm1A1 THR 1008 HA -0.36 0.26 1.18 -0.75 4.39 4.71 2nm1A1 THR 1008 HB -0.12 -0.06 0.10 -0.04 4.32 4.19 2nm1A1 THR 1008 HG23 -0.23 0.05 -0.18 -0.04 1.22 0.82 2nm1A1 ASN 1009 H -0.14 0.54 0.34 -0.55 8.53 8.72 2nm1A1 ASN 1009 HA 0.03 0.23 1.03 -0.75 4.76 5.30 2nm1A1 ASN 1009 HB2 0.21 -0.13 0.04 -0.04 2.88 2.95 2nm1A1 ASN 1009 HB3 0.26 0.08 0.01 -0.04 2.79 3.09 2nm1A1 ASN 1009 HD21 -0.90 -0.02 -0.28 -0.04 7.03 5.78 2nm1A1 ASN 1009 HD22 -0.80 0.33 -0.12 -0.04 7.74 7.10 2nm1A1 ASN 1010 H 0.11 0.33 0.20 -0.55 8.53 8.63 2nm1A1 ASN 1010 HA 0.48 0.22 0.76 -0.75 4.76 5.46 2nm1A1 ASN 1010 HB2 0.02 -0.11 0.20 -0.04 2.88 2.95 2nm1A1 ASN 1010 HB3 0.12 0.06 -0.02 -0.04 2.79 2.91 2nm1A1 ASN 1010 HD21 -0.02 0.01 -0.04 -0.04 7.03 6.94 2nm1A1 ASN 1010 HD22 0.00 0.05 -0.03 -0.04 7.74 7.72 2nm1A1 LEU 1011 H -0.67 0.11 0.09 -0.55 8.37 7.36 2nm1A1 LEU 1011 HA -0.01 0.12 0.35 -0.75 4.35 4.06 2nm1A1 LEU 1011 HB2 -1.40 -0.02 0.08 -0.04 1.64 0.27 2nm1A1 LEU 1011 HB3 -0.46 -0.07 0.11 -0.04 1.64 1.18 2nm1A1 LEU 1011 HG -0.13 0.02 -0.15 -0.04 1.64 1.34 2nm1A1 LEU 1011 HD13 0.03 0.02 0.01 -0.04 0.93 0.94 2nm1A1 LEU 1011 HD23 -0.19 -0.01 -0.02 -0.04 0.89 0.63 2nm1A1 ASN 1012 H -0.11 -0.01 -0.13 -0.55 8.53 7.74 2nm1A1 ASN 1012 HA -0.02 0.22 0.78 -0.75 4.76 4.98 2nm1A1 ASN 1012 HB2 -0.06 -0.02 0.06 -0.04 2.88 2.82 2nm1A1 ASN 1012 HB3 -0.03 0.01 -0.02 -0.04 2.79 2.71 2nm1A1 ASN 1012 HD21 -0.04 0.03 -0.00 -0.04 7.03 6.98 2nm1A1 ASN 1012 HD22 -0.04 0.00 -0.00 -0.04 7.74 7.66 2nm1A1 ASN 1013 H 0.01 0.11 -0.05 -0.55 8.53 8.05 2nm1A1 ASN 1013 HA 0.04 0.05 0.54 -0.75 4.76 4.63 2nm1A1 ASN 1013 HB2 -0.01 0.04 -0.03 -0.04 2.88 2.84 2nm1A1 ASN 1013 HB3 -0.01 0.03 0.01 -0.04 2.79 2.78 2nm1A1 ASN 1013 HD21 -0.03 -0.01 -0.16 -0.04 7.03 6.79 2nm1A1 ASN 1013 HD22 -0.03 0.06 -0.22 -0.04 7.74 7.51 2nm1A1 ALA 1014 H 0.04 0.63 0.34 -0.55 8.40 8.87 2nm1A1 ALA 1014 HA 0.00 0.33 1.09 -0.75 4.34 5.00 2nm1A1 ALA 1014 HB3 0.18 0.00 0.02 -0.04 1.41 1.57 2nm1A1 LYS 1015 H -0.13 0.66 0.40 -0.55 8.42 8.79 2nm1A1 LYS 1015 HA -0.17 0.29 1.15 -0.75 4.32 4.84 2nm1A1 LYS 1015 HB2 -0.06 -0.07 0.07 -0.04 1.87 1.77 2nm1A1 LYS 1015 HB3 -0.43 0.03 0.06 -0.04 1.79 1.41 2nm1A1 LYS 1015 HG2 -0.13 0.02 -0.17 -0.04 1.46 1.14 2nm1A1 LYS 1015 HG3 -0.06 0.00 -0.25 -0.04 1.46 1.11 2nm1A1 LYS 1015 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.57 2nm1A1 LYS 1015 HD3 -0.23 0.02 -0.06 -0.04 1.68 1.37 2nm1A1 LYS 1015 HE2 -0.04 -0.01 -0.08 -0.04 2.99 2.82 2nm1A1 LYS 1015 HE3 -0.07 0.00 -0.12 -0.04 2.99 2.76 2nm1A1 ILE 1016 H -0.28 0.54 0.33 -0.55 8.25 8.29 2nm1A1 ILE 1016 HA -0.22 0.31 1.13 -0.75 4.18 4.65 2nm1A1 ILE 1016 HB -0.14 -0.08 0.06 -0.04 1.89 1.69 2nm1A1 ILE 1016 HG12 -0.13 0.07 -0.14 -0.04 1.49 1.25 2nm1A1 ILE 1016 HG13 -0.08 -0.08 -0.39 -0.04 1.21 0.62 2nm1A1 ILE 1016 HG23 -0.15 0.00 -0.22 -0.04 0.93 0.52 2nm1A1 ILE 1016 HD13 0.11 0.04 -0.31 -0.04 0.88 0.67 2nm1A1 TYR 1017 H -0.10 0.82 0.36 -0.55 8.29 8.82 2nm1A1 TYR 1017 HA -0.27 0.21 0.85 -0.75 4.56 4.60 2nm1A1 TYR 1017 HB2 -0.36 0.01 0.03 -0.04 3.06 2.70 2nm1A1 TYR 1017 HB3 -0.27 -0.06 -0.36 -0.04 2.98 2.25 2nm1A1 TYR 1017 HD2 -0.22 0.11 -0.35 -0.04 7.15 6.65 2nm1A1 TYR 1017 HE2 -0.15 -0.03 -0.10 -0.04 6.85 6.53 2nm1A1 ILE 1018 H -0.28 0.76 0.26 -0.55 8.25 8.44 2nm1A1 ILE 1018 HA -0.35 0.38 1.14 -0.75 4.18 4.59 2nm1A1 ILE 1018 HB -0.61 0.01 0.12 -0.04 1.89 1.36 2nm1A1 ILE 1018 HG12 -0.81 -0.11 -0.37 -0.04 1.49 0.16 2nm1A1 ILE 1018 HG13 -2.76 -0.01 -0.09 -0.04 1.21 -1.70 2nm1A1 ILE 1018 HG23 -0.44 0.01 -0.09 -0.04 0.93 0.37 2nm1A1 ILE 1018 HD13 -0.38 0.04 -0.06 -0.04 0.88 0.44 2nm1A1 ASN 1019 H -0.27 0.79 0.31 -0.55 8.53 8.81 2nm1A1 ASN 1019 HA -0.72 0.02 0.37 -0.75 4.76 3.68 2nm1A1 ASN 1019 HB2 -0.20 0.09 -0.16 -0.04 2.88 2.57 2nm1A1 ASN 1019 HB3 -0.54 0.04 0.24 -0.04 2.79 2.49 2nm1A1 ASN 1019 HD21 0.17 0.13 0.05 -0.04 7.03 7.34 2nm1A1 ASN 1019 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 2nm1A1 GLY 1020 H -0.23 0.09 -0.41 -0.55 8.43 7.33 2nm1A1 GLY 1020 HA2 -0.09 -0.05 0.03 -0.51 4.01 3.40 2nm1A1 GLY 1020 HA3 -0.13 0.14 0.43 -0.51 4.01 3.94 2nm1A1 LYS 1021 H -0.15 0.54 -0.49 -0.55 8.42 7.77 2nm1A1 LYS 1021 HA 0.03 0.14 1.04 -0.75 4.32 4.78 2nm1A1 LYS 1021 HB2 -0.05 0.03 -0.08 -0.04 1.87 1.73 2nm1A1 LYS 1021 HB3 -0.09 0.12 0.05 -0.04 1.79 1.83 2nm1A1 LYS 1021 HG2 -0.07 0.16 -0.16 -0.04 1.46 1.35 2nm1A1 LYS 1021 HG3 -0.03 -0.07 0.05 -0.04 1.46 1.37 2nm1A1 LYS 1021 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.61 2nm1A1 LYS 1021 HD3 -0.04 0.00 -0.05 -0.04 1.68 1.55 2nm1A1 LYS 1021 HE2 -0.04 0.14 0.02 -0.04 2.99 3.07 2nm1A1 LYS 1021 HE3 -0.02 -0.06 0.02 -0.04 2.99 2.89 2nm1A1 LEU 1022 H -0.04 0.12 0.15 -0.55 8.37 8.05 2nm1A1 LEU 1022 HA -0.71 0.04 0.51 -0.75 4.35 3.44 2nm1A1 LEU 1022 HB2 -0.39 -0.04 0.09 -0.04 1.64 1.25 2nm1A1 LEU 1022 HB3 -0.18 0.00 0.15 -0.04 1.64 1.57 2nm1A1 LEU 1022 HG -0.27 0.04 -0.30 -0.04 1.64 1.07 2nm1A1 LEU 1022 HD13 -0.68 0.02 0.01 -0.04 0.93 0.24 2nm1A1 LEU 1022 HD23 -0.18 -0.01 -0.06 -0.04 0.89 0.60 2nm1A1 GLU 1023 H -0.36 0.59 0.57 -0.55 8.60 8.85 2nm1A1 GLU 1023 HA -0.11 0.19 1.05 -0.75 4.29 4.66 2nm1A1 GLU 1023 HB2 -0.25 0.04 0.11 -0.04 2.09 1.94 2nm1A1 GLU 1023 HB3 0.09 -0.04 0.06 -0.04 1.99 2.06 2nm1A1 GLU 1023 HG2 -0.32 0.09 -0.05 -0.04 2.34 2.02 2nm1A1 GLU 1023 HG3 -0.72 -0.04 -0.01 -0.04 2.34 1.52 2nm1A1 SER 1024 H -0.25 0.30 0.43 -0.55 8.46 8.40 2nm1A1 SER 1024 HA -0.16 0.20 0.91 -0.75 4.49 4.68 2nm1A1 SER 1024 HB2 -0.15 -0.13 -0.01 -0.04 3.95 3.62 2nm1A1 SER 1024 HB3 -0.24 -0.04 0.20 -0.04 3.93 3.82 2nm1A1 ASN 1025 H -0.14 0.33 0.28 -0.55 8.53 8.45 2nm1A1 ASN 1025 HA -0.11 0.35 0.91 -0.75 4.76 5.15 2nm1A1 ASN 1025 HB2 -0.14 0.03 -0.13 -0.04 2.88 2.60 2nm1A1 ASN 1025 HB3 -0.10 -0.02 -0.02 -0.04 2.79 2.61 2nm1A1 ASN 1025 HD21 -0.04 -0.05 -0.30 -0.04 7.03 6.60 2nm1A1 ASN 1025 HD22 -0.05 -0.01 -0.55 -0.04 7.74 7.09 2nm1A1 THR 1026 H -0.02 0.54 0.35 -0.55 8.28 8.60 2nm1A1 THR 1026 HA -0.01 0.15 0.96 -0.75 4.39 4.72 2nm1A1 THR 1026 HB 0.06 -0.08 0.07 -0.04 4.32 4.32 2nm1A1 THR 1026 HG23 0.05 0.04 -0.04 -0.04 1.22 1.22 2nm1A1 ASP 1027 H 0.00 0.16 0.21 -0.55 8.40 8.22 2nm1A1 ASP 1027 HA 0.01 0.21 0.80 -0.75 4.63 4.89 2nm1A1 ASP 1027 HB2 -0.00 0.01 0.17 -0.04 2.71 2.85 2nm1A1 ASP 1027 HB3 0.01 0.00 0.23 -0.04 2.70 2.90 2nm1A1 ILE 1028 H 0.03 0.57 0.18 -0.55 8.25 8.49 2nm1A1 ILE 1028 HA 0.05 0.19 0.92 -0.75 4.18 4.58 2nm1A1 ILE 1028 HB 0.10 -0.01 0.11 -0.04 1.89 2.05 2nm1A1 ILE 1028 HG12 0.07 -0.15 -0.28 -0.04 1.49 1.09 2nm1A1 ILE 1028 HG13 0.08 0.21 -0.43 -0.04 1.21 1.03 2nm1A1 ILE 1028 HG23 0.11 0.01 -0.24 -0.04 0.93 0.77 2nm1A1 ILE 1028 HD13 0.16 0.02 -0.18 -0.04 0.88 0.83 2nm1A1 LYS 1029 H 0.02 0.11 0.10 -0.55 8.42 8.10 2nm1A1 LYS 1029 HA 0.02 0.26 0.46 -0.75 4.32 4.30 2nm1A1 LYS 1029 HB2 0.01 -0.04 0.06 -0.04 1.87 1.85 2nm1A1 LYS 1029 HB3 0.00 0.02 0.06 -0.04 1.79 1.84 2nm1A1 LYS 1029 HG2 -0.02 -0.01 0.08 -0.04 1.46 1.47 2nm1A1 LYS 1029 HG3 -0.00 0.04 0.24 -0.04 1.46 1.70 2nm1A1 LYS 1029 HD2 -0.00 -0.00 0.05 -0.04 1.69 1.69 2nm1A1 LYS 1029 HD3 -0.01 0.01 0.03 -0.04 1.68 1.66 2nm1A1 LYS 1029 HE2 -0.03 -0.04 0.03 -0.04 2.99 2.92 2nm1A1 LYS 1029 HE3 -0.02 0.02 0.07 -0.04 2.99 3.02 2nm1A1 ASP 1030 H 0.03 -0.03 -0.56 -0.55 8.40 7.29 2nm1A1 ASP 1030 HA 0.02 0.08 0.43 -0.75 4.63 4.41 2nm1A1 ASP 1030 HB2 0.02 -0.04 -0.01 -0.04 2.71 2.65 2nm1A1 ASP 1030 HB3 0.02 0.01 -0.15 -0.04 2.70 2.54 2nm1A1 ILE 1031 H 0.05 0.46 -0.19 -0.55 8.25 8.02 2nm1A1 ILE 1031 HA 0.04 -0.07 0.55 -0.75 4.18 3.95 2nm1A1 ILE 1031 HB 0.08 0.16 0.13 -0.04 1.89 2.22 2nm1A1 ILE 1031 HG12 0.04 -0.04 -0.18 -0.04 1.49 1.27 2nm1A1 ILE 1031 HG13 0.05 -0.07 -0.10 -0.04 1.21 1.05 2nm1A1 ILE 1031 HG23 0.08 -0.02 -0.19 -0.04 0.93 0.76 2nm1A1 ILE 1031 HD13 0.07 -0.01 -0.15 -0.04 0.88 0.74 2nm1A1 ARG 1032 H 0.04 -0.04 0.13 -0.55 8.46 8.03 2nm1A1 ARG 1032 HA 0.06 0.26 0.77 -0.75 4.34 4.68 2nm1A1 ARG 1032 HB2 0.03 -0.10 0.17 -0.04 1.90 1.96 2nm1A1 ARG 1032 HB3 0.03 -0.09 0.23 -0.04 1.80 1.93 2nm1A1 ARG 1032 HG2 0.03 0.11 -0.09 -0.04 1.67 1.69 2nm1A1 ARG 1032 HG3 0.03 0.11 -0.05 -0.04 1.67 1.72 2nm1A1 ARG 1032 HD2 0.02 0.03 0.02 -0.04 3.22 3.24 2nm1A1 ARG 1032 HD3 0.02 -0.06 0.05 -0.04 3.22 3.19 2nm1A1 GLU 1033 H 0.03 0.11 0.13 -0.55 8.60 8.32 2nm1A1 GLU 1033 HA 0.03 0.09 0.28 -0.75 4.29 3.94 2nm1A1 GLU 1033 HB2 0.02 0.09 0.10 -0.04 2.09 2.26 2nm1A1 GLU 1033 HB3 0.01 -0.09 0.12 -0.04 1.99 1.99 2nm1A1 GLU 1033 HG2 -0.02 -0.08 -0.49 -0.04 2.34 1.71 2nm1A1 GLU 1033 HG3 -0.01 0.07 -0.10 -0.04 2.34 2.25 2nm1A1 VAL 1034 H -0.00 0.23 0.11 -0.55 8.24 8.03 2nm1A1 VAL 1034 HA -0.00 0.14 0.92 -0.75 4.13 4.43 2nm1A1 VAL 1034 HB 0.03 -0.05 0.02 -0.04 2.12 2.09 2nm1A1 VAL 1034 HG13 0.06 0.02 -0.24 -0.04 0.97 0.77 2nm1A1 VAL 1034 HG23 0.07 0.07 -0.29 -0.04 0.95 0.76 2nm1A1 ILE 1035 H -0.05 0.20 -0.01 -0.55 8.25 7.85 2nm1A1 ILE 1035 HA -0.12 0.06 0.59 -0.75 4.18 3.95 2nm1A1 ILE 1035 HB -0.07 0.15 0.09 -0.04 1.89 2.02 2nm1A1 ILE 1035 HG12 -0.05 -0.00 -0.10 -0.04 1.49 1.30 2nm1A1 ILE 1035 HG13 -0.04 -0.03 -0.07 -0.04 1.21 1.03 2nm1A1 ILE 1035 HG23 -0.08 -0.03 -0.12 -0.04 0.93 0.65 2nm1A1 ILE 1035 HD13 -0.04 0.04 -0.05 -0.04 0.88 0.79 2nm1A1 ALA 1036 H -0.32 0.18 0.12 -0.55 8.40 7.83 2nm1A1 ALA 1036 HA -0.01 0.28 0.93 -0.75 4.34 4.78 2nm1A1 ALA 1036 HB3 -0.43 0.01 -0.04 -0.04 1.41 0.91 2nm1A1 ASN 1037 H -0.18 0.04 -0.13 -0.55 8.53 7.72 2nm1A1 ASN 1037 HA 0.04 0.29 0.89 -0.75 4.76 5.23 2nm1A1 ASN 1037 HB2 0.10 0.02 0.07 -0.04 2.88 3.02 2nm1A1 ASN 1037 HB3 0.08 0.03 -0.07 -0.04 2.79 2.79 2nm1A1 ASN 1037 HD21 -0.04 -0.00 -0.02 -0.04 7.03 6.92 2nm1A1 ASN 1037 HD22 -0.11 0.02 -0.04 -0.04 7.74 7.56 2nm1A1 GLY 1038 H -0.09 0.07 -0.44 -0.55 8.43 7.43 2nm1A1 GLY 1038 HA2 -0.04 0.03 0.38 -0.51 4.01 3.88 2nm1A1 GLY 1038 HA3 -0.10 0.09 0.09 -0.51 4.01 3.58 2nm1A1 GLU 1039 H -0.05 0.06 0.15 -0.55 8.60 8.21 2nm1A1 GLU 1039 HA 0.01 0.12 0.60 -0.75 4.29 4.26 2nm1A1 GLU 1039 HB2 -0.05 -0.04 0.07 -0.04 2.09 2.03 2nm1A1 GLU 1039 HB3 -0.00 0.05 0.00 -0.04 1.99 2.00 2nm1A1 GLU 1039 HG2 0.01 -0.00 0.08 -0.04 2.34 2.38 2nm1A1 GLU 1039 HG3 -0.02 -0.05 0.12 -0.04 2.34 2.35 2nm1A1 ILE 1040 H 0.04 0.56 0.39 -0.55 8.25 8.69 2nm1A1 ILE 1040 HA -0.25 0.26 0.95 -0.75 4.18 4.38 2nm1A1 ILE 1040 HB 0.15 -0.11 0.13 -0.04 1.89 2.01 2nm1A1 ILE 1040 HG12 0.04 0.04 -0.14 -0.04 1.49 1.39 2nm1A1 ILE 1040 HG13 0.12 0.09 -0.09 -0.04 1.21 1.28 2nm1A1 ILE 1040 HG23 -0.36 -0.01 -0.23 -0.04 0.93 0.28 2nm1A1 ILE 1040 HD13 0.49 -0.02 -0.11 -0.04 0.88 1.20 2nm1A1 ILE 1041 H -0.24 0.68 0.30 -0.55 8.25 8.44 2nm1A1 ILE 1041 HA 0.03 0.30 1.16 -0.75 4.18 4.91 2nm1A1 ILE 1041 HB -0.12 -0.03 0.17 -0.04 1.89 1.87 2nm1A1 ILE 1041 HG12 -0.10 0.05 -0.18 -0.04 1.49 1.22 2nm1A1 ILE 1041 HG13 -0.07 -0.03 -0.06 -0.04 1.21 1.01 2nm1A1 ILE 1041 HG23 -0.04 0.00 -0.21 -0.04 0.93 0.64 2nm1A1 ILE 1041 HD13 -0.01 0.03 -0.14 -0.04 0.88 0.72 2nm1A1 PHE 1042 H 0.30 0.71 0.33 -0.55 8.34 9.12 2nm1A1 PHE 1042 HA -0.02 0.19 0.93 -0.75 4.62 4.97 2nm1A1 PHE 1042 HB2 -0.04 -0.13 0.23 -0.04 3.15 3.17 2nm1A1 PHE 1042 HB3 0.05 0.05 -0.01 -0.04 3.06 3.11 2nm1A1 PHE 1042 HD2 -0.00 0.10 -0.13 -0.04 7.28 7.21 2nm1A1 PHE 1042 HE2 -0.38 -0.01 -0.15 -0.04 7.38 6.80 2nm1A1 PHE 1042 HZ -1.08 -0.02 -0.15 -0.04 7.32 6.03 2nm1A1 LYS 1043 H 0.05 0.75 0.18 -0.55 8.42 8.85 2nm1A1 LYS 1043 HA 0.07 0.11 0.54 -0.75 4.32 4.28 2nm1A1 LYS 1043 HB2 0.01 0.06 -0.15 -0.04 1.87 1.75 2nm1A1 LYS 1043 HB3 -0.01 -0.10 -0.28 -0.04 1.79 1.36 2nm1A1 LYS 1043 HG2 -0.00 0.15 -0.30 -0.04 1.46 1.27 2nm1A1 LYS 1043 HG3 -0.01 0.18 0.02 -0.04 1.46 1.61 2nm1A1 LYS 1043 HD2 -0.06 -0.08 -0.13 -0.04 1.69 1.37 2nm1A1 LYS 1043 HD3 -0.04 -0.08 -0.17 -0.04 1.68 1.35 2nm1A1 LYS 1043 HE2 -0.07 0.15 -0.05 -0.04 2.99 2.98 2nm1A1 LYS 1043 HE3 -0.08 -0.11 -0.03 -0.04 2.99 2.74 2nm1A1 LEU 1044 H 0.05 0.24 0.12 -0.55 8.37 8.23 2nm1A1 LEU 1044 HA 0.14 0.22 0.58 -0.75 4.35 4.54 2nm1A1 LEU 1044 HB2 0.00 0.06 0.07 -0.04 1.64 1.73 2nm1A1 LEU 1044 HB3 -0.00 -0.07 -0.12 -0.04 1.64 1.41 2nm1A1 LEU 1044 HG 0.05 0.04 -0.14 -0.04 1.64 1.55 2nm1A1 LEU 1044 HD13 -0.06 -0.01 -0.40 -0.04 0.93 0.42 2nm1A1 LEU 1044 HD23 0.19 -0.02 -0.15 -0.04 0.89 0.88 2nm1A1 ASP 1045 H 0.11 0.67 0.29 -0.55 8.40 8.92 2nm1A1 ASP 1045 HA 0.01 0.15 0.96 -0.75 4.63 5.01 2nm1A1 ASP 1045 HB2 0.00 0.15 -0.16 -0.04 2.71 2.67 2nm1A1 ASP 1045 HB3 0.00 -0.12 0.08 -0.04 2.70 2.62 2nm1A1 GLY 1046 H 0.01 0.36 0.19 -0.55 8.43 8.45 2nm1A1 GLY 1046 HA2 0.02 0.02 0.32 -0.51 4.01 3.87 2nm1A1 GLY 1046 HA3 0.08 0.22 0.66 -0.51 4.01 4.46 2nm1A1 ASP 1047 H 0.03 0.24 0.07 -0.55 8.40 8.18 2nm1A1 ASP 1047 HA -0.01 0.12 0.63 -0.75 4.63 4.61 2nm1A1 ASP 1047 HB2 0.00 -0.01 0.10 -0.04 2.71 2.76 2nm1A1 ASP 1047 HB3 0.01 0.00 0.21 -0.04 2.70 2.89 2nm1A1 ILE 1048 H -0.05 0.39 0.04 -0.55 8.25 8.08 2nm1A1 ILE 1048 HA -0.13 0.17 0.76 -0.75 4.18 4.23 2nm1A1 ILE 1048 HB -0.32 -0.04 -0.01 -0.04 1.89 1.48 2nm1A1 ILE 1048 HG12 -0.08 0.04 -0.00 -0.04 1.49 1.41 2nm1A1 ILE 1048 HG13 -0.09 0.07 -0.38 -0.04 1.21 0.77 2nm1A1 ILE 1048 HG23 -0.30 0.01 -0.38 -0.04 0.93 0.22 2nm1A1 ILE 1048 HD13 -0.11 -0.00 -0.13 -0.04 0.88 0.60 2nm1A1 ASP 1049 H -0.11 0.11 0.11 -0.55 8.40 7.97 2nm1A1 ASP 1049 HA -0.03 0.11 0.52 -0.75 4.63 4.48 2nm1A1 ASP 1049 HB2 -0.02 0.07 0.10 -0.04 2.71 2.82 2nm1A1 ASP 1049 HB3 -0.05 0.00 0.05 -0.04 2.70 2.66 2nm1A1 ARG 1050 H -0.02 0.13 0.18 -0.55 8.46 8.20 2nm1A1 ARG 1050 HA -0.02 0.16 0.45 -0.75 4.34 4.17 2nm1A1 ARG 1050 HB2 -0.01 0.04 0.14 -0.04 1.90 2.02 2nm1A1 ARG 1050 HB3 -0.00 -0.05 0.12 -0.04 1.80 1.83 2nm1A1 ARG 1050 HG2 -0.00 0.02 -0.11 -0.04 1.67 1.54 2nm1A1 ARG 1050 HG3 -0.01 0.02 0.05 -0.04 1.67 1.69 2nm1A1 ARG 1050 HD2 -0.00 -0.00 0.02 -0.04 3.22 3.19 2nm1A1 ARG 1050 HD3 0.00 -0.01 -0.04 -0.04 3.22 3.13 2nm1A1 THR 1051 H -0.00 -0.03 -0.22 -0.55 8.28 7.48 2nm1A1 THR 1051 HA 0.05 0.19 0.63 -0.75 4.39 4.51 2nm1A1 THR 1051 HB 0.08 0.06 0.08 -0.04 4.32 4.51 2nm1A1 THR 1051 HG23 0.02 -0.01 -0.03 -0.04 1.22 1.16 2nm1A1 GLN 1052 H -0.04 0.24 -0.53 -0.55 8.47 7.59 2nm1A1 GLN 1052 HA -0.13 0.05 0.44 -0.75 4.36 3.97 2nm1A1 GLN 1052 HB2 -0.18 -0.20 0.07 -0.04 2.15 1.80 2nm1A1 GLN 1052 HB3 -0.17 0.11 -0.01 -0.04 2.02 1.91 2nm1A1 GLN 1052 HG2 -0.67 -0.04 -0.11 -0.04 2.40 1.54 2nm1A1 GLN 1052 HG3 -0.24 0.09 -0.26 -0.04 2.39 1.94 2nm1A1 GLN 1052 HE21 -0.05 0.03 0.05 -0.04 6.97 6.97 2nm1A1 GLN 1052 HE22 -0.14 0.24 0.08 -0.04 7.69 7.83 2nm1A1 PHE 1053 H -0.39 0.29 0.27 -0.55 8.34 7.96 2nm1A1 PHE 1053 HA -0.09 0.26 0.62 -0.75 4.62 4.65 2nm1A1 PHE 1053 HB2 -0.23 0.01 0.09 -0.04 3.15 2.97 2nm1A1 PHE 1053 HB3 -0.11 0.04 -0.13 -0.04 3.06 2.81 2nm1A1 PHE 1053 HD2 -0.16 0.14 -0.25 -0.04 7.28 6.97 2nm1A1 PHE 1053 HE2 0.13 0.02 -0.14 -0.04 7.38 7.35 2nm1A1 PHE 1053 HZ 0.04 -0.14 -0.24 -0.04 7.32 6.94 2nm1A1 ILE 1054 H 0.05 0.56 0.36 -0.55 8.25 8.67 2nm1A1 ILE 1054 HA 0.01 0.21 0.83 -0.75 4.18 4.47 2nm1A1 ILE 1054 HB 0.08 -0.05 0.05 -0.04 1.89 1.94 2nm1A1 ILE 1054 HG12 0.12 -0.06 -0.52 -0.04 1.49 0.98 2nm1A1 ILE 1054 HG13 0.22 -0.04 -0.13 -0.04 1.21 1.22 2nm1A1 ILE 1054 HG23 0.09 -0.00 -0.16 -0.04 0.93 0.82 2nm1A1 ILE 1054 HD13 0.13 0.04 0.11 -0.04 0.88 1.11 2nm1A1 TRP 1055 H 0.14 0.50 0.30 -0.55 7.97 8.36 2nm1A1 TRP 1055 HA 0.03 0.29 1.08 -0.75 4.62 5.27 2nm1A1 TRP 1055 HB2 -0.52 0.02 0.12 -0.04 3.23 2.81 2nm1A1 TRP 1055 HB3 -0.10 0.02 -0.06 -0.04 3.23 3.05 2nm1A1 TRP 1055 HD1 0.11 0.05 -0.12 -0.04 7.22 7.23 2nm1A1 TRP 1055 HE1 -0.10 -0.05 -0.12 -0.04 10.20 9.89 2nm1A1 TRP 1055 HE3 0.20 0.06 -0.29 -0.04 7.59 7.52 2nm1A1 TRP 1055 HZ2 -0.08 -0.02 -0.10 -0.04 7.44 7.20 2nm1A1 TRP 1055 HZ3 0.12 0.06 -0.44 -0.04 7.13 6.83 2nm1A1 TRP 1055 HH2 0.03 -0.02 -0.17 -0.04 7.19 6.98 2nm1A1 MET 1056 H 0.01 0.63 0.42 -0.55 8.47 8.99 2nm1A1 MET 1056 HA 0.41 0.33 1.03 -0.75 4.52 5.54 2nm1A1 MET 1056 HB2 -1.02 -0.04 -0.02 -0.04 2.15 1.03 2nm1A1 MET 1056 HB3 -0.05 -0.03 0.05 -0.04 2.03 1.96 2nm1A1 MET 1056 HG2 0.16 0.11 0.01 -0.04 2.63 2.86 2nm1A1 MET 1056 HG3 0.04 -0.06 -0.38 -0.04 2.56 2.12 2nm1A1 MET 1056 HE3 -0.05 0.01 -0.08 -0.04 2.10 1.94 2nm1A1 LYS 1057 H 0.45 0.50 0.34 -0.55 8.42 9.15 2nm1A1 LYS 1057 HA 0.11 0.23 0.85 -0.75 4.32 4.75 2nm1A1 LYS 1057 HB2 -0.37 0.01 -0.22 -0.04 1.87 1.25 2nm1A1 LYS 1057 HB3 -0.21 -0.07 -0.05 -0.04 1.79 1.42 2nm1A1 LYS 1057 HG2 -1.02 -0.03 -0.18 -0.04 1.46 0.19 2nm1A1 LYS 1057 HG3 -0.65 0.11 0.10 -0.04 1.46 0.97 2nm1A1 LYS 1057 HD2 -0.91 -0.03 -0.14 -0.04 1.69 0.57 2nm1A1 LYS 1057 HD3 -1.25 -0.04 -0.10 -0.04 1.68 0.25 2nm1A1 LYS 1057 HE2 -1.44 0.00 -0.02 -0.04 2.99 1.48 2nm1A1 LYS 1057 HE3 -1.05 -0.01 0.02 -0.04 2.99 1.90 2nm1A1 TYR 1058 H 0.32 0.25 0.24 -0.55 8.29 8.55 2nm1A1 TYR 1058 HA 0.31 0.14 0.43 -0.75 4.56 4.69 2nm1A1 TYR 1058 HB2 0.55 0.05 -0.14 -0.04 3.06 3.48 2nm1A1 TYR 1058 HB3 0.37 -0.01 0.19 -0.04 2.98 3.49 2nm1A1 TYR 1058 HD2 0.11 0.01 0.06 -0.04 7.15 7.28 2nm1A1 TYR 1058 HE2 -0.10 0.06 0.05 -0.04 6.85 6.82 2nm1A1 PHE 1059 H 0.71 0.03 -0.04 -0.55 8.34 8.49 2nm1A1 PHE 1059 HA 0.56 0.27 0.71 -0.75 4.62 5.41 2nm1A1 PHE 1059 HB2 0.59 -0.01 0.03 -0.04 3.15 3.71 2nm1A1 PHE 1059 HB3 0.43 -0.10 0.08 -0.04 3.06 3.42 2nm1A1 PHE 1059 HD2 0.38 -0.06 -0.19 -0.04 7.28 7.38 2nm1A1 PHE 1059 HE2 0.35 -0.03 -0.16 -0.04 7.38 7.49 2nm1A1 PHE 1059 HZ 0.50 -0.02 -0.14 -0.04 7.32 7.62 2nm1A1 SER 1060 H -0.24 0.63 0.51 -0.55 8.46 8.81 2nm1A1 SER 1060 HA -0.01 0.15 0.96 -0.75 4.49 4.84 2nm1A1 SER 1060 HB2 0.16 -0.05 0.08 -0.04 3.95 4.10 2nm1A1 SER 1060 HB3 -0.28 0.00 0.10 -0.04 3.93 3.72 2nm1A1 ILE 1061 H -0.18 0.55 0.45 -0.55 8.25 8.52 2nm1A1 ILE 1061 HA -0.01 0.35 1.22 -0.75 4.18 4.98 2nm1A1 ILE 1061 HB 0.15 -0.13 0.06 -0.04 1.89 1.92 2nm1A1 ILE 1061 HG12 0.03 0.08 -0.06 -0.04 1.49 1.49 2nm1A1 ILE 1061 HG13 0.11 -0.11 -0.37 -0.04 1.21 0.80 2nm1A1 ILE 1061 HG23 0.31 0.03 -0.05 -0.04 0.93 1.17 2nm1A1 ILE 1061 HD13 0.65 -0.00 -0.11 -0.04 0.88 1.38 2nm1A1 PHE 1062 H 0.28 0.72 0.49 -0.55 8.34 9.27 2nm1A1 PHE 1062 HA 0.06 0.24 1.13 -0.75 4.62 5.30 2nm1A1 PHE 1062 HB2 -0.02 -0.06 0.12 -0.04 3.15 3.14 2nm1A1 PHE 1062 HB3 0.01 0.07 -0.03 -0.04 3.06 3.07 2nm1A1 PHE 1062 HD2 -0.04 0.18 -0.26 -0.04 7.28 7.13 2nm1A1 PHE 1062 HE2 -0.01 0.05 -0.24 -0.04 7.38 7.14 2nm1A1 PHE 1062 HZ 0.03 0.06 -0.10 -0.04 7.32 7.27 2nm1A1 ASN 1063 H 0.11 0.59 0.23 -0.55 8.53 8.91 2nm1A1 ASN 1063 HA 0.26 0.12 1.02 -0.75 4.76 5.41 2nm1A1 ASN 1063 HB2 -0.07 -0.04 0.27 -0.04 2.88 2.99 2nm1A1 ASN 1063 HB3 -0.17 -0.03 0.08 -0.04 2.79 2.62 2nm1A1 ASN 1063 HD21 -0.14 -0.07 0.08 -0.04 7.03 6.85 2nm1A1 ASN 1063 HD22 -0.34 0.24 0.14 -0.04 7.74 7.74 2nm1A1 THR 1064 H 0.19 0.30 -0.29 -0.55 8.28 7.93 2nm1A1 THR 1064 HA 0.08 0.11 0.35 -0.75 4.39 4.18 2nm1A1 THR 1064 HB 0.06 0.17 -0.14 -0.04 4.32 4.37 2nm1A1 THR 1064 HG23 0.06 -0.03 -0.39 -0.04 1.22 0.82 2nm1A1 GLU 1065 H 0.07 0.13 0.00 -0.55 8.60 8.26 2nm1A1 GLU 1065 HA -0.04 0.09 0.49 -0.75 4.29 4.07 2nm1A1 GLU 1065 HB2 0.12 0.13 0.03 -0.04 2.09 2.32 2nm1A1 GLU 1065 HB3 0.06 -0.06 0.09 -0.04 1.99 2.04 2nm1A1 GLU 1065 HG2 -0.03 0.15 -0.25 -0.04 2.34 2.17 2nm1A1 GLU 1065 HG3 0.01 -0.02 -0.26 -0.04 2.34 2.03 2nm1A1 LEU 1066 H -0.20 0.16 0.04 -0.55 8.37 7.83 2nm1A1 LEU 1066 HA -0.18 0.06 0.41 -0.75 4.35 3.89 2nm1A1 LEU 1066 HB2 -0.38 -0.02 -0.04 -0.04 1.64 1.16 2nm1A1 LEU 1066 HB3 -0.35 -0.00 -0.09 -0.04 1.64 1.15 2nm1A1 LEU 1066 HG -0.47 0.04 -0.07 -0.04 1.64 1.10 2nm1A1 LEU 1066 HD13 -1.00 0.01 -0.15 -0.04 0.93 -0.25 2nm1A1 LEU 1066 HD23 -0.55 0.01 -0.16 -0.04 0.89 0.15 2nm1A1 SER 1067 H -0.14 0.10 0.13 -0.55 8.46 8.00 2nm1A1 SER 1067 HA -0.09 0.19 0.54 -0.75 4.49 4.36 2nm1A1 SER 1067 HB2 -0.06 -0.05 0.12 -0.04 3.95 3.92 2nm1A1 SER 1067 HB3 -0.06 0.15 0.10 -0.04 3.93 4.08 2nm1A1 GLN 1068 H -0.07 0.20 0.14 -0.55 8.47 8.20 2nm1A1 GLN 1068 HA -0.35 0.13 0.35 -0.75 4.36 3.74 2nm1A1 GLN 1068 HB2 0.09 0.03 0.13 -0.04 2.15 2.36 2nm1A1 GLN 1068 HB3 -0.01 -0.03 0.12 -0.04 2.02 2.06 2nm1A1 GLN 1068 HG2 0.12 0.07 0.08 -0.04 2.40 2.62 2nm1A1 GLN 1068 HG3 0.09 0.01 0.04 -0.04 2.39 2.49 2nm1A1 GLN 1068 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.90 2nm1A1 GLN 1068 HE22 0.02 0.37 0.15 -0.04 7.69 8.19 2nm1A1 SER 1069 H -0.06 0.06 -0.15 -0.55 8.46 7.76 2nm1A1 SER 1069 HA -0.04 0.14 0.40 -0.75 4.49 4.25 2nm1A1 SER 1069 HB2 -0.03 0.05 0.07 -0.04 3.95 4.00 2nm1A1 SER 1069 HB3 -0.04 -0.07 0.05 -0.04 3.93 3.82 2nm1A1 ASN 1070 H -0.10 0.01 -0.32 -0.55 8.53 7.57 2nm1A1 ASN 1070 HA -0.07 0.08 0.41 -0.75 4.76 4.43 2nm1A1 ASN 1070 HB2 -0.09 -0.03 0.07 -0.04 2.88 2.78 2nm1A1 ASN 1070 HB3 -0.17 0.04 0.09 -0.04 2.79 2.71 2nm1A1 ASN 1070 HD21 -0.06 0.22 -0.14 -0.04 7.03 7.01 2nm1A1 ASN 1070 HD22 -0.06 -0.06 -0.05 -0.04 7.74 7.54 2nm1A1 ILE 1071 H -0.21 0.48 -0.28 -0.55 8.25 7.69 2nm1A1 ILE 1071 HA -0.11 0.05 0.32 -0.75 4.18 3.69 2nm1A1 ILE 1071 HB -0.42 0.11 0.07 -0.04 1.89 1.61 2nm1A1 ILE 1071 HG12 -0.42 -0.01 -0.14 -0.04 1.49 0.88 2nm1A1 ILE 1071 HG13 -0.42 0.09 -0.20 -0.04 1.21 0.64 2nm1A1 ILE 1071 HG23 -0.30 -0.01 -0.24 -0.04 0.93 0.34 2nm1A1 ILE 1071 HD13 -1.11 -0.02 -0.27 -0.04 0.88 -0.56 2nm1A1 GLU 1072 H -0.07 0.57 -0.06 -0.55 8.60 8.49 2nm1A1 GLU 1072 HA 0.09 0.02 0.43 -0.75 4.29 4.08 2nm1A1 GLU 1072 HB2 -0.00 0.12 0.17 -0.04 2.09 2.34 2nm1A1 GLU 1072 HB3 0.01 0.01 0.12 -0.04 1.99 2.09 2nm1A1 GLU 1072 HG2 0.07 -0.02 -0.08 -0.04 2.34 2.28 2nm1A1 GLU 1072 HG3 0.11 0.02 0.09 -0.04 2.34 2.52 2nm1A1 GLU 1073 H -0.00 0.38 -0.32 -0.55 8.60 8.11 2nm1A1 GLU 1073 HA 0.01 0.04 0.42 -0.75 4.29 4.01 2nm1A1 GLU 1073 HB2 -0.01 -0.00 0.10 -0.04 2.09 2.14 2nm1A1 GLU 1073 HB3 -0.02 0.14 0.16 -0.04 1.99 2.24 2nm1A1 GLU 1073 HG2 -0.02 -0.07 -0.04 -0.04 2.34 2.18 2nm1A1 GLU 1073 HG3 -0.01 0.01 -0.34 -0.04 2.34 1.97 2nm1A1 ARG 1074 H 0.02 0.46 -0.15 -0.55 8.46 8.23 2nm1A1 ARG 1074 HA 0.02 0.01 0.43 -0.75 4.34 4.04 2nm1A1 ARG 1074 HB2 0.04 -0.01 0.08 -0.04 1.90 1.97 2nm1A1 ARG 1074 HB3 0.12 0.09 0.08 -0.04 1.80 2.05 2nm1A1 ARG 1074 HG2 0.08 0.01 -0.22 -0.04 1.67 1.50 2nm1A1 ARG 1074 HG3 0.10 -0.02 0.04 -0.04 1.67 1.74 2nm1A1 ARG 1074 HD2 0.29 -0.04 -0.07 -0.04 3.22 3.35 2nm1A1 ARG 1074 HD3 0.34 0.04 -0.06 -0.04 3.22 3.50 2nm1A1 TYR 1075 H 0.13 0.40 -0.36 -0.55 8.29 7.92 2nm1A1 TYR 1075 HA -0.73 0.01 0.35 -0.75 4.56 3.44 2nm1A1 TYR 1075 HB2 0.07 -0.09 -0.02 -0.04 3.06 2.98 2nm1A1 TYR 1075 HB3 -0.01 0.23 0.14 -0.04 2.98 3.30 2nm1A1 TYR 1075 HD2 -0.26 -0.01 -0.03 -0.04 7.15 6.82 2nm1A1 TYR 1075 HE2 0.07 -0.00 0.00 -0.04 6.85 6.88 2nm1A1 LYS 1076 H 0.03 0.43 -0.12 -0.55 8.42 8.22 2nm1A1 LYS 1076 HA -0.24 0.05 0.39 -0.75 4.32 3.77 2nm1A1 LYS 1076 HB2 -0.02 0.06 0.16 -0.04 1.87 2.03 2nm1A1 LYS 1076 HB3 -0.04 0.00 0.04 -0.04 1.79 1.75 2nm1A1 LYS 1076 HG2 -0.03 -0.02 0.07 -0.04 1.46 1.44 2nm1A1 LYS 1076 HG3 0.08 0.20 0.13 -0.04 1.46 1.83 2nm1A1 LYS 1076 HD2 0.01 -0.05 -0.00 -0.04 1.69 1.61 2nm1A1 LYS 1076 HD3 0.00 0.02 0.02 -0.04 1.68 1.68 2nm1A1 LYS 1076 HE2 0.07 0.00 0.02 -0.04 2.99 3.03 2nm1A1 LYS 1076 HE3 0.07 -0.02 -0.04 -0.04 2.99 2.97 2nm1A1 ILE 1077 H -0.02 0.50 -0.11 -0.55 8.25 8.07 2nm1A1 ILE 1077 HA -0.02 0.02 0.43 -0.75 4.18 3.86 2nm1A1 ILE 1077 HB -0.01 0.02 0.14 -0.04 1.89 2.00 2nm1A1 ILE 1077 HG12 -0.05 -0.03 0.03 -0.04 1.49 1.40 2nm1A1 ILE 1077 HG13 -0.02 0.21 0.09 -0.04 1.21 1.44 2nm1A1 ILE 1077 HG23 -0.03 -0.01 -0.11 -0.04 0.93 0.74 2nm1A1 ILE 1077 HD13 -0.02 -0.04 -0.05 -0.04 0.88 0.73 2nm1A1 GLN 1078 H 0.01 0.62 -0.13 -0.55 8.47 8.42 2nm1A1 GLN 1078 HA 0.02 0.07 0.56 -0.75 4.36 4.25 2nm1A1 GLN 1078 HB2 0.36 0.07 0.07 -0.04 2.15 2.61 2nm1A1 GLN 1078 HB3 0.33 -0.06 0.06 -0.04 2.02 2.30 2nm1A1 GLN 1078 HG2 -0.07 -0.04 -0.02 -0.04 2.40 2.23 2nm1A1 GLN 1078 HG3 0.05 0.07 0.07 -0.04 2.39 2.54 2nm1A1 GLN 1078 HE21 0.22 0.02 -0.03 -0.04 6.97 7.14 2nm1A1 GLN 1078 HE22 -0.01 -0.03 -0.03 -0.04 7.69 7.58 2nm1A1 SER 1079 H -0.04 0.29 -0.39 -0.55 8.46 7.78 2nm1A1 SER 1079 HA -0.31 0.04 0.52 -0.75 4.49 3.99 2nm1A1 SER 1079 HB2 -0.20 0.05 0.08 -0.04 3.95 3.84 2nm1A1 SER 1079 HB3 -0.14 -0.10 0.07 -0.04 3.93 3.72 2nm1A1 TYR 1080 H 0.01 0.22 -0.37 -0.55 8.29 7.60 2nm1A1 TYR 1080 HA -0.16 0.04 0.49 -0.75 4.56 4.17 2nm1A1 TYR 1080 HB2 -0.11 0.05 0.13 -0.04 3.06 3.08 2nm1A1 TYR 1080 HB3 -0.11 0.11 0.14 -0.04 2.98 3.07 2nm1A1 TYR 1080 HD2 -0.11 0.02 -0.10 -0.04 7.15 6.91 2nm1A1 TYR 1080 HE2 -0.10 -0.04 -0.08 -0.04 6.85 6.59 2nm1A1 SER 1081 H -1.19 0.31 0.24 -0.55 8.46 7.28 2nm1A1 SER 1081 HA -0.71 0.02 0.49 -0.75 4.49 3.53 2nm1A1 SER 1081 HB2 -1.69 -0.21 0.15 -0.04 3.95 2.16 2nm1A1 SER 1081 HB3 -0.71 0.20 -0.16 -0.04 3.93 3.22 2nm1A1 GLU 1082 H -0.51 0.11 0.17 -0.55 8.60 7.83 2nm1A1 GLU 1082 HA -0.25 0.11 0.55 -0.75 4.29 3.94 2nm1A1 GLU 1082 HB2 -0.06 -0.01 0.11 -0.04 2.09 2.09 2nm1A1 GLU 1082 HB3 -0.09 -0.00 0.13 -0.04 1.99 1.99 2nm1A1 GLU 1082 HG2 -0.09 -0.06 0.13 -0.04 2.34 2.28 2nm1A1 GLU 1082 HG3 0.02 0.04 -0.26 -0.04 2.34 2.10 2nm1A1 TYR 1083 H -0.87 -0.01 -0.07 -0.55 8.29 6.78 2nm1A1 TYR 1083 HA -0.13 0.01 0.96 -0.75 4.56 4.65 2nm1A1 TYR 1083 HB2 -0.13 0.42 0.26 -0.04 3.06 3.56 2nm1A1 TYR 1083 HB3 -0.11 -0.17 0.02 -0.04 2.98 2.69 2nm1A1 TYR 1083 HD2 -0.13 0.11 -0.16 -0.04 7.15 6.93 2nm1A1 TYR 1083 HE2 -0.17 0.01 -0.03 -0.04 6.85 6.63 2nm1A1 LEU 1084 H 0.01 0.50 0.33 -0.55 8.37 8.67 2nm1A1 LEU 1084 HA -0.05 0.14 0.60 -0.75 4.35 4.28 2nm1A1 LEU 1084 HB2 -0.09 0.01 0.01 -0.04 1.64 1.52 2nm1A1 LEU 1084 HB3 -0.04 0.05 0.03 -0.04 1.64 1.63 2nm1A1 LEU 1084 HG -0.09 -0.09 -0.16 -0.04 1.64 1.27 2nm1A1 LEU 1084 HD13 -0.11 -0.03 -0.29 -0.04 0.93 0.46 2nm1A1 LEU 1084 HD23 -0.08 0.01 -0.13 -0.04 0.89 0.65 2nm1A1 LYS 1085 H 0.01 0.20 0.15 -0.55 8.42 8.23 2nm1A1 LYS 1085 HA -0.03 0.14 0.90 -0.75 4.32 4.58 2nm1A1 LYS 1085 HB2 0.02 -0.01 0.09 -0.04 1.87 1.93 2nm1A1 LYS 1085 HB3 -0.24 -0.04 -0.08 -0.04 1.79 1.39 2nm1A1 LYS 1085 HG2 0.03 -0.02 -0.32 -0.04 1.46 1.11 2nm1A1 LYS 1085 HG3 0.00 -0.01 -0.27 -0.04 1.46 1.14 2nm1A1 LYS 1085 HD2 0.22 0.01 0.01 -0.04 1.69 1.88 2nm1A1 LYS 1085 HD3 -0.10 0.08 -0.01 -0.04 1.68 1.61 2nm1A1 LYS 1085 HE2 -0.12 -0.04 0.00 -0.04 2.99 2.79 2nm1A1 LYS 1085 HE3 -0.13 -0.07 -0.08 -0.04 2.99 2.67 2nm1A1 ASP 1086 H -0.07 0.75 0.13 -0.55 8.40 8.66 2nm1A1 ASP 1086 HA -0.06 0.09 0.83 -0.75 4.63 4.73 2nm1A1 ASP 1086 HB2 -0.02 0.17 0.26 -0.04 2.71 3.07 2nm1A1 ASP 1086 HB3 -0.03 0.01 0.00 -0.04 2.70 2.64 2nm1A1 PHE 1087 H -0.06 0.85 0.37 -0.55 8.34 8.94 2nm1A1 PHE 1087 HA -0.21 0.07 0.34 -0.75 4.62 4.07 2nm1A1 PHE 1087 HB2 -0.43 -0.05 -0.20 -0.04 3.15 2.44 2nm1A1 PHE 1087 HB3 -0.98 -0.03 0.10 -0.04 3.06 2.11 2nm1A1 PHE 1087 HD2 -1.57 -0.03 -0.19 -0.04 7.28 5.45 2nm1A1 PHE 1087 HE2 -1.22 -0.01 -0.12 -0.04 7.38 6.00 2nm1A1 PHE 1087 HZ -0.64 -0.02 -0.08 -0.04 7.32 6.55 2nm1A1 TRP 1088 H -0.20 0.03 -0.14 -0.55 7.97 7.11 2nm1A1 TRP 1088 HA -0.08 0.18 0.50 -0.75 4.62 4.48 2nm1A1 TRP 1088 HB2 0.03 -0.13 -0.01 -0.04 3.23 3.07 2nm1A1 TRP 1088 HB3 -0.00 0.15 0.13 -0.04 3.23 3.46 2nm1A1 TRP 1088 HD1 0.13 -0.04 0.00 -0.04 7.22 7.27 2nm1A1 TRP 1088 HE1 0.21 0.50 0.01 -0.04 10.20 10.88 2nm1A1 TRP 1088 HE3 0.06 0.14 -0.26 -0.04 7.59 7.50 2nm1A1 TRP 1088 HZ2 0.03 -0.01 -0.05 -0.04 7.44 7.36 2nm1A1 TRP 1088 HZ3 -0.01 0.13 -0.12 -0.04 7.13 7.08 2nm1A1 TRP 1088 HH2 -1.10 -0.06 -0.08 -0.04 7.19 5.91 2nm1A1 GLY 1089 H -0.25 0.24 -0.39 -0.55 8.43 7.48 2nm1A1 GLY 1089 HA2 -1.42 0.11 0.25 -0.51 4.01 2.44 2nm1A1 GLY 1089 HA3 -0.30 0.15 0.82 -0.51 4.01 4.17 2nm1A1 ASN 1090 H 0.09 -0.09 -0.11 -0.55 8.53 7.88 2nm1A1 ASN 1090 HA -0.08 0.18 0.60 -0.75 4.76 4.71 2nm1A1 ASN 1090 HB2 0.11 -0.09 -0.01 -0.04 2.88 2.85 2nm1A1 ASN 1090 HB3 -0.02 0.09 0.04 -0.04 2.79 2.85 2nm1A1 ASN 1090 HD21 -0.02 0.01 -0.11 -0.04 7.03 6.87 2nm1A1 ASN 1090 HD22 0.17 -0.03 -0.07 -0.04 7.74 7.77 2nm1A1 PRO 1091 HA -0.12 0.27 0.49 -0.51 4.44 4.58 2nm1A1 PRO 1091 HB2 -0.34 -0.04 -0.03 -0.04 2.28 1.83 2nm1A1 PRO 1091 HB3 -0.89 0.08 0.09 -0.04 2.02 1.26 2nm1A1 PRO 1091 HG2 -0.42 -0.05 0.05 -0.04 2.03 1.58 2nm1A1 PRO 1091 HG3 -0.47 0.11 0.07 -0.04 2.03 1.69 2nm1A1 PRO 1091 HD2 -0.17 0.04 0.13 -0.04 3.68 3.64 2nm1A1 PRO 1091 HD3 -0.19 0.10 0.21 -0.04 3.65 3.73 2nm1A1 LEU 1092 H -0.07 0.80 0.18 -0.55 8.37 8.73 2nm1A1 LEU 1092 HA -0.05 -0.04 0.37 -0.75 4.35 3.88 2nm1A1 LEU 1092 HB2 -0.12 0.02 -0.53 -0.04 1.64 0.97 2nm1A1 LEU 1092 HB3 -0.16 0.08 -0.12 -0.04 1.64 1.40 2nm1A1 LEU 1092 HG -0.34 0.02 -0.28 -0.04 1.64 1.00 2nm1A1 LEU 1092 HD13 -0.65 -0.00 -0.10 -0.04 0.93 0.14 2nm1A1 LEU 1092 HD23 -0.32 -0.01 -0.18 -0.04 0.89 0.34 2nm1A1 MET 1093 H 0.20 0.10 0.07 -0.55 8.47 8.30 2nm1A1 MET 1093 HA -0.14 0.28 1.09 -0.75 4.52 5.00 2nm1A1 MET 1093 HB2 -0.01 -0.11 -0.07 -0.04 2.15 1.92 2nm1A1 MET 1093 HB3 -0.02 0.11 0.02 -0.04 2.03 2.10 2nm1A1 MET 1093 HG2 -0.00 0.09 -0.29 -0.04 2.63 2.39 2nm1A1 MET 1093 HG3 -0.03 -0.07 -0.14 -0.04 2.56 2.28 2nm1A1 MET 1093 HE3 -0.05 -0.03 -0.28 -0.04 2.10 1.70 2nm1A1 TYR 1094 H 0.02 0.43 0.20 -0.55 8.29 8.39 2nm1A1 TYR 1094 HA -0.03 0.13 0.63 -0.75 4.56 4.54 2nm1A1 TYR 1094 HB2 -0.03 -0.27 0.16 -0.04 3.06 2.88 2nm1A1 TYR 1094 HB3 -0.02 0.03 0.14 -0.04 2.98 3.09 2nm1A1 TYR 1094 HD2 -0.04 -0.01 -0.28 -0.04 7.15 6.77 2nm1A1 TYR 1094 HE2 -0.06 0.04 -0.17 -0.04 6.85 6.62 2nm1A1 ASN 1095 H 0.13 0.65 0.32 -0.55 8.53 9.09 2nm1A1 ASN 1095 HA 0.05 -0.03 0.29 -0.75 4.76 4.32 2nm1A1 ASN 1095 HB2 0.03 0.18 0.04 -0.04 2.88 3.09 2nm1A1 ASN 1095 HB3 0.03 -0.03 0.17 -0.04 2.79 2.92 2nm1A1 ASN 1095 HD21 0.01 -0.07 0.04 -0.04 7.03 6.97 2nm1A1 ASN 1095 HD22 0.04 0.29 -0.04 -0.04 7.74 7.98 2nm1A1 LYS 1096 H -0.07 0.14 -0.27 -0.55 8.42 7.66 2nm1A1 LYS 1096 HA -0.14 0.13 0.88 -0.75 4.32 4.43 2nm1A1 LYS 1096 HB2 -0.16 0.10 -0.25 -0.04 1.87 1.52 2nm1A1 LYS 1096 HB3 -0.49 0.02 -0.11 -0.04 1.79 1.17 2nm1A1 LYS 1096 HG2 -0.62 0.12 -0.16 -0.04 1.46 0.76 2nm1A1 LYS 1096 HG3 -0.20 -0.04 0.04 -0.04 1.46 1.21 2nm1A1 LYS 1096 HD2 -0.09 0.02 -0.07 -0.04 1.69 1.51 2nm1A1 LYS 1096 HD3 -0.13 -0.04 -0.07 -0.04 1.68 1.40 2nm1A1 LYS 1096 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2nm1A1 LYS 1096 HE3 -0.05 -0.02 -0.01 -0.04 2.99 2.87 2nm1A1 GLU 1097 H -0.15 0.10 0.12 -0.55 8.60 8.12 2nm1A1 GLU 1097 HA -0.01 0.33 0.60 -0.75 4.29 4.45 2nm1A1 GLU 1097 HB2 -0.09 -0.06 0.13 -0.04 2.09 2.04 2nm1A1 GLU 1097 HB3 -0.06 0.01 -0.03 -0.04 1.99 1.86 2nm1A1 GLU 1097 HG2 0.41 0.04 -0.09 -0.04 2.34 2.66 2nm1A1 GLU 1097 HG3 0.08 -0.02 -0.02 -0.04 2.34 2.34 2nm1A1 TYR 1098 H 0.13 0.62 0.35 -0.55 8.29 8.84 2nm1A1 TYR 1098 HA 0.07 0.20 0.80 -0.75 4.56 4.88 2nm1A1 TYR 1098 HB2 0.30 -0.06 -0.08 -0.04 3.06 3.18 2nm1A1 TYR 1098 HB3 0.34 0.03 -0.07 -0.04 2.98 3.24 2nm1A1 TYR 1098 HD2 -0.01 -0.06 -0.30 -0.04 7.15 6.75 2nm1A1 TYR 1098 HE2 -0.09 0.12 -0.03 -0.04 6.85 6.82 2nm1A1 TYR 1099 H 0.35 0.78 0.38 -0.55 8.29 9.25 2nm1A1 TYR 1099 HA 0.28 0.24 0.82 -0.75 4.56 5.15 2nm1A1 TYR 1099 HB2 0.10 -0.01 0.18 -0.04 3.06 3.29 2nm1A1 TYR 1099 HB3 0.10 0.16 0.21 -0.04 2.98 3.42 2nm1A1 TYR 1099 HD2 0.17 0.20 -0.17 -0.04 7.15 7.30 2nm1A1 TYR 1099 HE2 -0.02 -0.01 -0.18 -0.04 6.85 6.60 2nm1A1 MET 1100 H 0.26 0.20 0.25 -0.55 8.47 8.63 2nm1A1 MET 1100 HA -0.14 0.29 1.22 -0.75 4.52 5.13 2nm1A1 MET 1100 HB2 -0.33 -0.07 0.12 -0.04 2.15 1.83 2nm1A1 MET 1100 HB3 -0.29 0.02 -0.03 -0.04 2.03 1.68 2nm1A1 MET 1100 HG2 -0.81 0.07 -0.10 -0.04 2.63 1.75 2nm1A1 MET 1100 HG3 -0.53 -0.01 -0.26 -0.04 2.56 1.71 2nm1A1 MET 1100 HE3 -1.24 0.01 -0.11 -0.04 2.10 0.72 2nm1A1 PHE 1101 H 0.08 0.62 0.38 -0.55 8.34 8.87 2nm1A1 PHE 1101 HA -0.01 0.24 0.91 -0.75 4.62 5.01 2nm1A1 PHE 1101 HB2 -0.26 0.05 -0.10 -0.04 3.15 2.81 2nm1A1 PHE 1101 HB3 -0.09 -0.05 0.03 -0.04 3.06 2.91 2nm1A1 PHE 1101 HD2 -0.04 0.01 -0.13 -0.04 7.28 7.08 2nm1A1 PHE 1101 HE2 0.01 0.03 -0.08 -0.04 7.38 7.30 2nm1A1 PHE 1101 HZ 0.03 -0.04 -0.09 -0.04 7.32 7.18 2nm1A1 ASN 1102 H -0.71 0.35 0.10 -0.55 8.53 7.72 2nm1A1 ASN 1102 HA -0.82 0.32 1.07 -0.75 4.76 4.57 2nm1A1 ASN 1102 HB2 -0.89 0.02 -0.13 -0.04 2.88 1.84 2nm1A1 ASN 1102 HB3 -0.53 0.05 0.04 -0.04 2.79 2.32 2nm1A1 ASN 1102 HD21 -1.11 0.44 0.06 -0.04 7.03 6.37 2nm1A1 ASN 1102 HD22 -3.25 -0.03 -0.13 -0.04 7.74 4.28 2nm1A1 ALA 1103 H -0.49 0.65 0.16 -0.55 8.40 8.17 2nm1A1 ALA 1103 HA -0.30 0.04 0.32 -0.75 4.34 3.64 2nm1A1 ALA 1103 HB3 -0.06 0.03 0.05 -0.04 1.41 1.38 2nm1A1 GLY 1104 H -0.39 0.11 -0.29 -0.55 8.43 7.32 2nm1A1 GLY 1104 HA2 -0.12 0.17 0.57 -0.51 4.01 4.12 2nm1A1 GLY 1104 HA3 -0.17 -0.01 0.12 -0.51 4.01 3.44 2nm1A1 ASN 1105 H -0.35 0.37 -0.54 -0.55 8.53 7.46 2nm1A1 ASN 1105 HA -0.11 0.10 0.61 -0.75 4.76 4.61 2nm1A1 ASN 1105 HB2 -0.20 0.02 0.10 -0.04 2.88 2.75 2nm1A1 ASN 1105 HB3 -0.10 -0.04 0.08 -0.04 2.79 2.70 2nm1A1 ASN 1105 HD21 -0.05 -0.03 -0.08 -0.04 7.03 6.84 2nm1A1 ASN 1105 HD22 -0.06 -0.02 -0.02 -0.04 7.74 7.60 2nm1A1 LYS 1106 H -0.12 0.19 -0.08 -0.55 8.42 7.86 2nm1A1 LYS 1106 HA -0.44 0.19 0.37 -0.75 4.32 3.68 2nm1A1 LYS 1106 HB2 0.33 0.01 0.02 -0.04 1.87 2.19 2nm1A1 LYS 1106 HB3 0.08 0.10 0.08 -0.04 1.79 2.01 2nm1A1 LYS 1106 HG2 0.02 -0.04 0.01 -0.04 1.46 1.41 2nm1A1 LYS 1106 HG3 0.08 0.01 -0.19 -0.04 1.46 1.31 2nm1A1 LYS 1106 HD2 0.14 -0.04 -0.04 -0.04 1.69 1.70 2nm1A1 LYS 1106 HD3 0.10 0.07 -0.00 -0.04 1.68 1.81 2nm1A1 LYS 1106 HE2 0.05 0.02 -0.01 -0.04 2.99 3.00 2nm1A1 LYS 1106 HE3 0.07 -0.03 -0.03 -0.04 2.99 2.96 2nm1A1 ASN 1107 H -0.01 0.01 -0.37 -0.55 8.53 7.62 2nm1A1 ASN 1107 HA 0.10 0.25 0.81 -0.75 4.76 5.16 2nm1A1 ASN 1107 HB2 0.03 -0.03 0.03 -0.04 2.88 2.87 2nm1A1 ASN 1107 HB3 0.06 -0.01 0.19 -0.04 2.79 2.99 2nm1A1 ASN 1107 HD21 0.06 -0.03 -0.03 -0.04 7.03 6.99 2nm1A1 ASN 1107 HD22 0.04 -0.00 -0.02 -0.04 7.74 7.72 2nm1A1 SER 1108 H -0.04 0.58 -0.17 -0.55 8.46 8.29 2nm1A1 SER 1108 HA 0.01 0.33 1.10 -0.75 4.49 5.18 2nm1A1 SER 1108 HB2 -0.08 0.09 0.09 -0.04 3.95 4.02 2nm1A1 SER 1108 HB3 -0.05 -0.05 -0.01 -0.04 3.93 3.78 2nm1A1 TYR 1109 H -0.16 0.52 0.30 -0.55 8.29 8.41 2nm1A1 TYR 1109 HA 0.04 0.21 0.73 -0.75 4.56 4.78 2nm1A1 TYR 1109 HB2 0.07 0.08 0.06 -0.04 3.06 3.23 2nm1A1 TYR 1109 HB3 0.04 0.12 -0.24 -0.04 2.98 2.86 2nm1A1 TYR 1109 HD2 0.03 0.09 -0.41 -0.04 7.15 6.83 2nm1A1 TYR 1109 HE2 0.02 0.12 -0.29 -0.04 6.85 6.66 2nm1A1 ILE 1110 H 0.19 0.23 0.19 -0.55 8.25 8.30 2nm1A1 ILE 1110 HA -0.07 0.25 0.77 -0.75 4.18 4.38 2nm1A1 ILE 1110 HB 0.01 -0.01 0.14 -0.04 1.89 1.99 2nm1A1 ILE 1110 HG12 -0.28 0.00 -0.13 -0.04 1.49 1.04 2nm1A1 ILE 1110 HG13 -0.04 -0.02 -0.09 -0.04 1.21 1.02 2nm1A1 ILE 1110 HG23 -0.30 -0.02 -0.18 -0.04 0.93 0.39 2nm1A1 ILE 1110 HD13 -1.29 0.01 -0.08 -0.04 0.88 -0.52 2nm1A1 LYS 1111 H -0.06 0.75 0.35 -0.55 8.42 8.89 2nm1A1 LYS 1111 HA 0.05 0.03 0.85 -0.75 4.32 4.50 2nm1A1 LYS 1111 HB2 0.07 -0.01 -0.17 -0.04 1.87 1.73 2nm1A1 LYS 1111 HB3 -0.05 0.00 0.01 -0.04 1.79 1.72 2nm1A1 LYS 1111 HG2 0.06 -0.03 -0.06 -0.04 1.46 1.39 2nm1A1 LYS 1111 HG3 0.04 0.19 -0.12 -0.04 1.46 1.52 2nm1A1 LYS 1111 HD2 0.11 -0.04 0.10 -0.04 1.69 1.81 2nm1A1 LYS 1111 HD3 0.26 -0.03 -0.00 -0.04 1.68 1.87 2nm1A1 LYS 1111 HE2 0.05 0.02 0.02 -0.04 2.99 3.04 2nm1A1 LYS 1111 HE3 0.09 -0.01 0.00 -0.04 2.99 3.03 2nm1A1 LEU 1112 H -0.02 0.10 0.12 -0.55 8.37 8.03 2nm1A1 LEU 1112 HA 0.02 0.14 0.58 -0.75 4.35 4.34 2nm1A1 LEU 1112 HB2 0.01 -0.05 0.09 -0.04 1.64 1.64 2nm1A1 LEU 1112 HB3 0.02 -0.06 0.12 -0.04 1.64 1.68 2nm1A1 LEU 1112 HG 0.08 0.21 -0.08 -0.04 1.64 1.81 2nm1A1 LEU 1112 HD13 0.20 0.05 0.02 -0.04 0.93 1.16 2nm1A1 LEU 1112 HD23 0.00 -0.03 -0.05 -0.04 0.89 0.77 2nm1A1 LYS 1113 H 0.09 0.66 0.50 -0.55 8.42 9.11 2nm1A1 LYS 1113 HA 0.04 -0.02 0.51 -0.75 4.32 4.09 2nm1A1 LYS 1113 HB2 0.11 -0.06 0.09 -0.04 1.87 1.97 2nm1A1 LYS 1113 HB3 0.13 0.03 0.13 -0.04 1.79 2.04 2nm1A1 LYS 1113 HG2 0.09 0.18 -0.13 -0.04 1.46 1.55 2nm1A1 LYS 1113 HG3 0.07 -0.06 0.06 -0.04 1.46 1.49 2nm1A1 LYS 1113 HD2 0.28 -0.03 -0.05 -0.04 1.69 1.84 2nm1A1 LYS 1113 HD3 0.19 -0.04 -0.08 -0.04 1.68 1.71 2nm1A1 LYS 1113 HE2 0.10 0.08 -0.06 -0.04 2.99 3.07 2nm1A1 LYS 1113 HE3 0.13 -0.02 -0.03 -0.04 2.99 3.03 2nm1A1 LYS 1114 H 0.04 0.08 0.19 -0.55 8.42 8.18 2nm1A1 LYS 1114 HA 0.04 0.03 0.46 -0.75 4.32 4.09 2nm1A1 LYS 1114 HB2 0.03 0.02 0.17 -0.04 1.87 2.05 2nm1A1 LYS 1114 HB3 0.04 -0.01 0.14 -0.04 1.79 1.92 2nm1A1 LYS 1114 HG2 0.04 0.02 -0.13 -0.04 1.46 1.35 2nm1A1 LYS 1114 HG3 0.03 -0.01 0.06 -0.04 1.46 1.50 2nm1A1 LYS 1114 HD2 0.03 -0.00 -0.00 -0.04 1.69 1.67 2nm1A1 LYS 1114 HD3 0.03 -0.00 0.00 -0.04 1.68 1.66 2nm1A1 LYS 1114 HE2 0.03 -0.01 0.05 -0.04 2.99 3.02 2nm1A1 LYS 1114 HE3 0.02 -0.00 0.02 -0.04 2.99 2.99 2nm1A1 ASP 1115 H 0.06 0.11 0.19 -0.55 8.40 8.21 2nm1A1 ASP 1115 HA 0.07 -0.01 0.34 -0.75 4.63 4.28 2nm1A1 ASP 1115 HB2 0.05 0.22 -0.13 -0.04 2.71 2.81 2nm1A1 ASP 1115 HB3 0.05 -0.02 0.19 -0.04 2.70 2.89 2nm1A1 SER 1116 H 0.10 0.53 -0.49 -0.55 8.46 8.05 2nm1A1 SER 1116 HA 0.11 0.16 0.67 -0.75 4.49 4.68 2nm1A1 SER 1116 HB2 0.08 0.07 -0.21 -0.04 3.95 3.85 2nm1A1 SER 1116 HB3 0.12 -0.09 -0.07 -0.04 3.93 3.84 2nm1A1 PRO 1117 HA 0.28 0.17 0.60 -0.51 4.44 4.97 2nm1A1 PRO 1117 HB2 0.26 -0.01 0.22 -0.04 2.28 2.71 2nm1A1 PRO 1117 HB3 0.25 0.02 0.13 -0.04 2.02 2.38 2nm1A1 PRO 1117 HG2 0.27 0.00 0.04 -0.04 2.03 2.30 2nm1A1 PRO 1117 HG3 0.28 0.02 0.06 -0.04 2.03 2.35 2nm1A1 PRO 1117 HD2 0.13 0.09 0.15 -0.04 3.68 4.01 2nm1A1 PRO 1117 HD3 0.16 0.14 0.09 -0.04 3.65 3.99 2nm1A1 VAL 1118 H 0.18 0.56 -0.09 -0.55 8.24 8.34 2nm1A1 VAL 1118 HA 0.20 0.30 0.92 -0.75 4.13 4.79 2nm1A1 VAL 1118 HB 0.21 -0.01 0.08 -0.04 2.12 2.35 2nm1A1 VAL 1118 HG13 0.06 0.02 -0.22 -0.04 0.97 0.79 2nm1A1 VAL 1118 HG23 0.22 -0.03 -0.21 -0.04 0.95 0.90 2nm1A1 GLY 1119 H 0.28 0.26 0.21 -0.55 8.43 8.63 2nm1A1 GLY 1119 HA2 0.08 0.20 0.95 -0.51 4.01 4.74 2nm1A1 GLY 1119 HA3 0.21 -0.01 0.33 -0.51 4.01 4.03 2nm1A1 GLU 1120 H -0.01 0.61 0.36 -0.55 8.60 9.01 2nm1A1 GLU 1120 HA -0.43 0.17 0.96 -0.75 4.29 4.23 2nm1A1 GLU 1120 HB2 -0.32 0.06 0.11 -0.04 2.09 1.89 2nm1A1 GLU 1120 HB3 -0.24 -0.04 0.07 -0.04 1.99 1.74 2nm1A1 GLU 1120 HG2 -0.05 0.20 0.07 -0.04 2.34 2.52 2nm1A1 GLU 1120 HG3 -0.13 -0.05 -0.18 -0.04 2.34 1.95 2nm1A1 ILE 1121 H -0.25 0.47 0.23 -0.55 8.25 8.16 2nm1A1 ILE 1121 HA -0.16 0.30 0.89 -0.75 4.18 4.46 2nm1A1 ILE 1121 HB -0.08 -0.08 0.04 -0.04 1.89 1.73 2nm1A1 ILE 1121 HG12 0.01 0.00 -0.50 -0.04 1.49 0.96 2nm1A1 ILE 1121 HG13 0.09 -0.05 -0.33 -0.04 1.21 0.88 2nm1A1 ILE 1121 HG23 -0.06 0.02 -0.16 -0.04 0.93 0.69 2nm1A1 ILE 1121 HD13 0.09 0.03 -0.40 -0.04 0.88 0.56 2nm1A1 LEU 1122 H -0.52 0.66 0.34 -0.55 8.37 8.30 2nm1A1 LEU 1122 HA -0.22 0.15 0.89 -0.75 4.35 4.41 2nm1A1 LEU 1122 HB2 -1.29 0.02 -0.03 -0.04 1.64 0.29 2nm1A1 LEU 1122 HB3 -0.29 -0.01 0.10 -0.04 1.64 1.41 2nm1A1 LEU 1122 HG -0.29 -0.00 -0.30 -0.04 1.64 1.01 2nm1A1 LEU 1122 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.76 2nm1A1 LEU 1122 HD23 -0.13 0.05 -0.09 -0.04 0.89 0.68 2nm1A1 THR 1123 H -0.09 0.11 0.15 -0.55 8.28 7.91 2nm1A1 THR 1123 HA 0.01 0.28 0.93 -0.75 4.39 4.86 2nm1A1 THR 1123 HB 0.03 -0.06 0.10 -0.04 4.32 4.35 2nm1A1 THR 1123 HG23 0.05 0.07 -0.06 -0.04 1.22 1.23 2nm1A1 ARG 1124 H 0.16 0.95 0.34 -0.55 8.46 9.35 2nm1A1 ARG 1124 HA 0.28 -0.07 0.36 -0.75 4.34 4.16 2nm1A1 ARG 1124 HB2 0.12 -0.10 0.15 -0.04 1.90 2.04 2nm1A1 ARG 1124 HB3 0.10 0.08 0.05 -0.04 1.80 1.99 2nm1A1 ARG 1124 HG2 0.16 -0.04 -0.15 -0.04 1.67 1.59 2nm1A1 ARG 1124 HG3 0.22 -0.00 -0.50 -0.04 1.67 1.34 2nm1A1 ARG 1124 HD2 0.13 -0.07 0.11 -0.04 3.22 3.36 2nm1A1 ARG 1124 HD3 0.08 0.18 -0.04 -0.04 3.22 3.39 2nm1A1 SER 1125 H 0.07 0.03 0.18 -0.55 8.46 8.20 2nm1A1 SER 1125 HA 0.06 0.11 0.58 -0.75 4.49 4.49 2nm1A1 SER 1125 HB2 0.04 0.04 0.13 -0.04 3.95 4.11 2nm1A1 SER 1125 HB3 0.06 0.02 0.12 -0.04 3.93 4.09 2nm1A1 LYS 1126 H 0.01 0.20 0.18 -0.55 8.42 8.25 2nm1A1 LYS 1126 HA 0.01 0.06 0.93 -0.75 4.32 4.57 2nm1A1 LYS 1126 HB2 -0.03 0.16 0.22 -0.04 1.87 2.18 2nm1A1 LYS 1126 HB3 0.03 -0.01 -0.16 -0.04 1.79 1.62 2nm1A1 LYS 1126 HG2 0.01 -0.07 -0.03 -0.04 1.46 1.33 2nm1A1 LYS 1126 HG3 -0.02 0.09 -0.16 -0.04 1.46 1.33 2nm1A1 LYS 1126 HD2 0.00 -0.03 -0.03 -0.04 1.69 1.59 2nm1A1 LYS 1126 HD3 0.01 0.06 -0.00 -0.04 1.68 1.71 2nm1A1 LYS 1126 HE2 0.04 -0.01 -0.07 -0.04 2.99 2.91 2nm1A1 LYS 1126 HE3 0.04 0.01 -0.13 -0.04 2.99 2.87 2nm1A1 TYR 1127 H -0.31 0.48 0.25 -0.55 8.29 8.17 2nm1A1 TYR 1127 HA -0.27 -0.06 0.37 -0.75 4.56 3.84 2nm1A1 TYR 1127 HB2 -1.15 -0.02 0.11 -0.04 3.06 1.96 2nm1A1 TYR 1127 HB3 -0.33 -0.00 0.18 -0.04 2.98 2.79 2nm1A1 TYR 1127 HD2 -0.06 0.05 0.03 -0.04 7.15 7.13 2nm1A1 TYR 1127 HE2 -0.00 -0.08 0.04 -0.04 6.85 6.77 2nm1A1 ASN 1128 H -0.28 0.03 0.19 -0.55 8.53 7.93 2nm1A1 ASN 1128 HA -0.23 0.15 0.72 -0.75 4.76 4.65 2nm1A1 ASN 1128 HB2 -0.17 -0.12 0.26 -0.04 2.88 2.80 2nm1A1 ASN 1128 HB3 -0.14 -0.04 0.06 -0.04 2.79 2.63 2nm1A1 ASN 1128 HD21 -0.00 -0.06 0.03 -0.04 7.03 6.96 2nm1A1 ASN 1128 HD22 -0.02 0.18 0.11 -0.04 7.74 7.97 2nm1A1 GLN 1129 H -0.38 0.07 0.13 -0.55 8.47 7.74 2nm1A1 GLN 1129 HA -0.20 -0.03 0.34 -0.75 4.36 3.71 2nm1A1 GLN 1129 HB2 -0.16 0.01 -0.07 -0.04 2.15 1.89 2nm1A1 GLN 1129 HB3 -0.05 -0.01 0.03 -0.04 2.02 1.96 2nm1A1 GLN 1129 HG2 -0.09 -0.03 0.09 -0.04 2.40 2.34 2nm1A1 GLN 1129 HG3 0.11 -0.01 0.01 -0.04 2.39 2.45 2nm1A1 GLN 1129 HE21 -0.03 0.02 0.03 -0.04 6.97 6.94 2nm1A1 GLN 1129 HE22 -0.02 -0.02 0.03 -0.04 7.69 7.64 2nm1A1 ASN 1130 H -0.11 0.06 0.11 -0.55 8.53 8.03 2nm1A1 ASN 1130 HA -0.11 0.32 0.79 -0.75 4.76 5.00 2nm1A1 ASN 1130 HB2 -0.07 -0.07 0.21 -0.04 2.88 2.92 2nm1A1 ASN 1130 HB3 -0.06 -0.04 0.14 -0.04 2.79 2.79 2nm1A1 ASN 1130 HD21 -0.05 0.01 -0.00 -0.04 7.03 6.95 2nm1A1 ASN 1130 HD22 -0.05 -0.05 0.03 -0.04 7.74 7.63 2nm1A1 SER 1131 H 0.14 0.60 0.08 -0.55 8.46 8.74 2nm1A1 SER 1131 HA -0.08 0.09 0.88 -0.75 4.49 4.63 2nm1A1 SER 1131 HB2 0.18 0.01 -0.08 -0.04 3.95 4.02 2nm1A1 SER 1131 HB3 0.27 0.12 0.15 -0.04 3.93 4.44 2nm1A1 LYS 1132 H -0.20 0.17 0.08 -0.55 8.42 7.92 2nm1A1 LYS 1132 HA 0.01 0.18 0.44 -0.75 4.32 4.19 2nm1A1 LYS 1132 HB2 -0.00 0.04 0.09 -0.04 1.87 1.95 2nm1A1 LYS 1132 HB3 -0.07 0.00 0.07 -0.04 1.79 1.75 2nm1A1 LYS 1132 HG2 0.02 0.04 -0.28 -0.04 1.46 1.20 2nm1A1 LYS 1132 HG3 -0.09 0.01 -0.02 -0.04 1.46 1.32 2nm1A1 LYS 1132 HD2 -0.78 -0.26 0.09 -0.04 1.69 0.70 2nm1A1 LYS 1132 HD3 -1.07 0.02 -0.01 -0.04 1.68 0.59 2nm1A1 LYS 1132 HE2 -0.22 0.03 0.04 -0.04 2.99 2.80 2nm1A1 LYS 1132 HE3 -0.18 0.01 0.08 -0.04 2.99 2.86 2nm1A1 TYR 1133 H -0.14 -0.08 -0.37 -0.55 8.29 7.15 2nm1A1 TYR 1133 HA -0.04 0.12 0.50 -0.75 4.56 4.39 2nm1A1 TYR 1133 HB2 -0.10 -0.05 0.02 -0.04 3.06 2.89 2nm1A1 TYR 1133 HB3 -0.11 0.03 -0.01 -0.04 2.98 2.84 2nm1A1 TYR 1133 HD2 -0.05 0.03 -0.14 -0.04 7.15 6.95 2nm1A1 TYR 1133 HE2 -0.01 0.00 -0.05 -0.04 6.85 6.76 2nm1A1 ILE 1134 H -0.00 0.17 -0.17 -0.55 8.25 7.69 2nm1A1 ILE 1134 HA -0.06 0.38 1.12 -0.75 4.18 4.86 2nm1A1 ILE 1134 HB -0.31 0.05 0.00 -0.04 1.89 1.60 2nm1A1 ILE 1134 HG12 -0.26 -0.15 0.05 -0.04 1.49 1.09 2nm1A1 ILE 1134 HG13 -0.83 0.09 -0.12 -0.04 1.21 0.31 2nm1A1 ILE 1134 HG23 -0.78 -0.04 -0.17 -0.04 0.93 -0.09 2nm1A1 ILE 1134 HD13 -0.51 -0.02 -0.06 -0.04 0.88 0.26 2nm1A1 ASN 1135 H 0.08 0.59 0.37 -0.55 8.53 9.03 2nm1A1 ASN 1135 HA 0.03 0.06 0.56 -0.75 4.76 4.66 2nm1A1 ASN 1135 HB2 0.09 0.08 -0.04 -0.04 2.88 2.97 2nm1A1 ASN 1135 HB3 0.10 0.01 0.05 -0.04 2.79 2.90 2nm1A1 ASN 1135 HD21 0.08 -0.11 -0.22 -0.04 7.03 6.73 2nm1A1 ASN 1135 HD22 0.10 0.37 -0.23 -0.04 7.74 7.93 2nm1A1 TYR 1136 H -0.17 0.23 0.21 -0.55 8.29 8.00 2nm1A1 TYR 1136 HA 0.20 0.38 0.51 -0.75 4.56 4.89 2nm1A1 TYR 1136 HB2 0.42 0.11 0.11 -0.04 3.06 3.66 2nm1A1 TYR 1136 HB3 0.25 0.07 -0.18 -0.04 2.98 3.08 2nm1A1 TYR 1136 HD2 0.18 0.15 -0.48 -0.04 7.15 6.97 2nm1A1 TYR 1136 HE2 -0.04 -0.04 -0.16 -0.04 6.85 6.57 2nm1A1 ARG 1137 H 0.33 0.67 0.33 -0.55 8.46 9.25 2nm1A1 ARG 1137 HA 0.13 0.11 0.90 -0.75 4.34 4.72 2nm1A1 ARG 1137 HB2 0.16 0.07 0.05 -0.04 1.90 2.14 2nm1A1 ARG 1137 HB3 0.12 0.09 0.02 -0.04 1.80 1.98 2nm1A1 ARG 1137 HG2 0.13 -0.14 -0.06 -0.04 1.67 1.56 2nm1A1 ARG 1137 HG3 0.12 -0.07 -0.05 -0.04 1.67 1.62 2nm1A1 ARG 1137 HD2 0.09 0.14 -0.13 -0.04 3.22 3.28 2nm1A1 ARG 1137 HD3 0.08 0.00 -0.18 -0.04 3.22 3.08 2nm1A1 ASP 1138 H 0.14 0.61 0.17 -0.55 8.40 8.77 2nm1A1 ASP 1138 HA 0.31 -0.00 0.36 -0.75 4.63 4.54 2nm1A1 ASP 1138 HB2 0.02 -0.02 -0.01 -0.04 2.71 2.66 2nm1A1 ASP 1138 HB3 0.02 -0.05 -0.15 -0.04 2.70 2.47 2nm1A1 LEU 1139 H -0.10 0.01 0.13 -0.55 8.37 7.86 2nm1A1 LEU 1139 HA -0.26 0.25 0.77 -0.75 4.35 4.36 2nm1A1 LEU 1139 HB2 -0.84 -0.06 0.01 -0.04 1.64 0.71 2nm1A1 LEU 1139 HB3 -0.67 0.01 -0.04 -0.04 1.64 0.89 2nm1A1 LEU 1139 HG -0.47 0.06 -0.05 -0.04 1.64 1.14 2nm1A1 LEU 1139 HD13 -1.76 -0.01 -0.06 -0.04 0.93 -0.94 2nm1A1 LEU 1139 HD23 -0.53 0.03 -0.14 -0.04 0.89 0.21 2nm1A1 TYR 1140 H -0.27 -0.01 0.00 -0.55 8.29 7.47 2nm1A1 TYR 1140 HA -1.45 0.20 0.64 -0.75 4.56 3.20 2nm1A1 TYR 1140 HB2 -0.13 -0.02 0.19 -0.04 3.06 3.05 2nm1A1 TYR 1140 HB3 -0.33 0.02 0.10 -0.04 2.98 2.72 2nm1A1 TYR 1140 HD2 0.02 0.04 -0.14 -0.04 7.15 7.03 2nm1A1 TYR 1140 HE2 0.33 0.13 -0.05 -0.04 6.85 7.21 2nm1A1 ILE 1141 H -0.47 0.58 -0.15 -0.55 8.25 7.66 2nm1A1 ILE 1141 HA -0.18 0.13 0.71 -0.75 4.18 4.09 2nm1A1 ILE 1141 HB -0.77 -0.06 -0.06 -0.04 1.89 0.96 2nm1A1 ILE 1141 HG12 -0.28 -0.06 -0.51 -0.04 1.49 0.60 2nm1A1 ILE 1141 HG13 -0.52 0.04 -0.28 -0.04 1.21 0.41 2nm1A1 ILE 1141 HG23 -0.17 -0.03 -0.26 -0.04 0.93 0.42 2nm1A1 ILE 1141 HD13 -0.31 0.02 -0.14 -0.04 0.88 0.41 2nm1A1 GLY 1142 H -0.10 0.04 0.10 -0.55 8.43 7.93 2nm1A1 GLY 1142 HA2 0.29 -0.00 0.35 -0.51 4.01 4.14 2nm1A1 GLY 1142 HA3 0.28 0.15 0.77 -0.51 4.01 4.69 2nm1A1 GLU 1143 H 0.12 0.36 0.26 -0.55 8.60 8.79 2nm1A1 GLU 1143 HA 0.02 0.03 0.48 -0.75 4.29 4.06 2nm1A1 GLU 1143 HB2 -0.64 -0.01 -0.02 -0.04 2.09 1.39 2nm1A1 GLU 1143 HB3 -0.34 0.03 -0.01 -0.04 1.99 1.62 2nm1A1 GLU 1143 HG2 -0.10 0.06 -0.00 -0.04 2.34 2.26 2nm1A1 GLU 1143 HG3 -0.40 0.01 -0.08 -0.04 2.34 1.83 2nm1A1 LYS 1144 H -0.02 0.11 0.21 -0.55 8.42 8.17 2nm1A1 LYS 1144 HA -0.16 0.24 0.71 -0.75 4.32 4.35 2nm1A1 LYS 1144 HB2 0.20 -0.12 0.21 -0.04 1.87 2.12 2nm1A1 LYS 1144 HB3 0.01 0.03 0.02 -0.04 1.79 1.81 2nm1A1 LYS 1144 HG2 -0.32 0.09 -0.09 -0.04 1.46 1.09 2nm1A1 LYS 1144 HG3 0.03 -0.01 0.04 -0.04 1.46 1.48 2nm1A1 LYS 1144 HD2 -0.01 -0.04 -0.00 -0.04 1.69 1.59 2nm1A1 LYS 1144 HD3 -0.10 0.01 -0.04 -0.04 1.68 1.51 2nm1A1 LYS 1144 HE2 0.01 -0.04 0.00 -0.04 2.99 2.92 2nm1A1 LYS 1144 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.89 2nm1A1 PHE 1145 H 0.31 0.92 0.39 -0.55 8.34 9.40 2nm1A1 PHE 1145 HA 0.04 0.13 0.97 -0.75 4.62 5.00 2nm1A1 PHE 1145 HB2 0.21 0.05 0.02 -0.04 3.15 3.39 2nm1A1 PHE 1145 HB3 0.15 -0.01 0.05 -0.04 3.06 3.21 2nm1A1 PHE 1145 HD2 0.06 0.15 -0.10 -0.04 7.28 7.35 2nm1A1 PHE 1145 HE2 -0.12 -0.01 -0.09 -0.04 7.38 7.12 2nm1A1 PHE 1145 HZ -0.55 -0.07 -0.11 -0.04 7.32 6.54 2nm1A1 ILE 1146 H 0.13 0.73 0.22 -0.55 8.25 8.78 2nm1A1 ILE 1146 HA 0.06 0.30 0.62 -0.75 4.18 4.41 2nm1A1 ILE 1146 HB -0.09 0.05 -0.36 -0.04 1.89 1.45 2nm1A1 ILE 1146 HG12 0.02 -0.03 -0.28 -0.04 1.49 1.16 2nm1A1 ILE 1146 HG13 0.01 0.03 -0.11 -0.04 1.21 1.10 2nm1A1 ILE 1146 HG23 -0.29 -0.02 -0.24 -0.04 0.93 0.33 2nm1A1 ILE 1146 HD13 0.13 -0.01 -0.28 -0.04 0.88 0.68 2nm1A1 ILE 1147 H 0.04 0.26 0.18 -0.55 8.25 8.18 2nm1A1 ILE 1147 HA 0.05 0.24 0.96 -0.75 4.18 4.68 2nm1A1 ILE 1147 HB -0.11 0.04 0.14 -0.04 1.89 1.92 2nm1A1 ILE 1147 HG12 -0.26 0.01 -0.09 -0.04 1.49 1.10 2nm1A1 ILE 1147 HG13 -0.14 -0.06 -0.05 -0.04 1.21 0.92 2nm1A1 ILE 1147 HG23 -0.06 0.00 -0.17 -0.04 0.93 0.66 2nm1A1 ILE 1147 HD13 -0.91 0.04 -0.11 -0.04 0.88 -0.15 2nm1A1 ARG 1148 H 0.14 0.61 0.39 -0.55 8.46 9.05 2nm1A1 ARG 1148 HA 0.13 0.07 0.95 -0.75 4.34 4.74 2nm1A1 ARG 1148 HB2 0.23 -0.03 0.10 -0.04 1.90 2.15 2nm1A1 ARG 1148 HB3 0.13 0.08 0.03 -0.04 1.80 2.00 2nm1A1 ARG 1148 HG2 0.07 0.03 -0.20 -0.04 1.67 1.52 2nm1A1 ARG 1148 HG3 0.07 0.01 -0.07 -0.04 1.67 1.65 2nm1A1 ARG 1148 HD2 0.05 0.02 0.00 -0.04 3.22 3.26 2nm1A1 ARG 1148 HD3 0.07 0.00 -0.17 -0.04 3.22 3.08 2nm1A1 ARG 1149 H -0.19 0.11 0.19 -0.55 8.46 8.02 2nm1A1 ARG 1149 HA -0.29 0.13 0.54 -0.75 4.34 3.97 2nm1A1 ARG 1149 HB2 -1.06 -0.05 0.12 -0.04 1.90 0.87 2nm1A1 ARG 1149 HB3 -0.32 -0.02 0.12 -0.04 1.80 1.54 2nm1A1 ARG 1149 HG2 -0.25 0.16 -0.16 -0.04 1.67 1.38 2nm1A1 ARG 1149 HG3 -0.56 -0.02 0.03 -0.04 1.67 1.09 2nm1A1 ARG 1149 HD2 -0.24 -0.01 -0.09 -0.04 3.22 2.83 2nm1A1 ARG 1149 HD3 -0.19 0.04 -0.08 -0.04 3.22 2.96 2nm1A1 LYS 1150 H -0.16 0.61 0.36 -0.55 8.42 8.68 2nm1A1 LYS 1150 HA -0.27 0.06 0.75 -0.75 4.32 4.11 2nm1A1 LYS 1150 HB2 -0.64 0.01 -0.19 -0.04 1.87 1.01 2nm1A1 LYS 1150 HB3 -0.16 0.05 0.05 -0.04 1.79 1.68 2nm1A1 LYS 1150 HG2 -0.12 -0.02 -0.17 -0.04 1.46 1.11 2nm1A1 LYS 1150 HG3 -0.32 -0.02 -0.02 -0.04 1.46 1.06 2nm1A1 LYS 1150 HD2 -0.29 0.04 -0.06 -0.04 1.69 1.34 2nm1A1 LYS 1150 HD3 -0.15 -0.00 -0.05 -0.04 1.68 1.44 2nm1A1 LYS 1150 HE2 -0.07 -0.06 -0.00 -0.04 2.99 2.81 2nm1A1 LYS 1150 HE3 -0.05 -0.01 -0.03 -0.04 2.99 2.86 2nm1A1 SER 1151 H -0.01 0.12 -0.02 -0.55 8.46 8.01 2nm1A1 SER 1151 HA -0.03 0.04 0.09 -0.75 4.49 3.85 2nm1A1 SER 1151 HB2 -0.04 -0.03 0.12 -0.04 3.95 3.96 2nm1A1 SER 1151 HB3 -0.06 0.48 0.53 -0.04 3.93 4.84 2nm1A1 ASP 1158 HA 0.05 0.00 0.17 -0.75 4.63 4.10 2nm1A1 ASP 1158 HB2 -0.00 -0.07 0.09 -0.04 2.71 2.70 2nm1A1 ASP 1158 HB3 -0.00 -0.01 0.00 -0.04 2.70 2.65 2nm1A1 ASP 1159 H 0.18 -0.01 0.12 -0.55 8.40 8.14 2nm1A1 ASP 1159 HA 0.04 0.32 1.04 -0.75 4.63 5.27 2nm1A1 ASP 1159 HB2 0.15 -0.02 0.04 -0.04 2.71 2.84 2nm1A1 ASP 1159 HB3 0.21 -0.15 0.13 -0.04 2.70 2.85 2nm1A1 ILE 1160 H 0.05 0.10 0.11 -0.55 8.25 7.96 2nm1A1 ILE 1160 HA -0.12 0.39 0.87 -0.75 4.18 4.57 2nm1A1 ILE 1160 HB -0.05 -0.07 0.07 -0.04 1.89 1.79 2nm1A1 ILE 1160 HG12 -0.21 0.11 -0.13 -0.04 1.49 1.21 2nm1A1 ILE 1160 HG13 -0.09 -0.10 -0.13 -0.04 1.21 0.85 2nm1A1 ILE 1160 HG23 -0.27 0.02 0.08 -0.04 0.93 0.72 2nm1A1 ILE 1160 HD13 -0.22 -0.01 -0.01 -0.04 0.88 0.60 2nm1A1 VAL 1161 H -0.22 -0.07 -0.21 -0.55 8.24 7.19 2nm1A1 VAL 1161 HA -0.32 -0.11 0.30 -0.75 4.13 3.25 2nm1A1 VAL 1161 HB -0.31 0.13 -0.13 -0.04 2.12 1.77 2nm1A1 VAL 1161 HG13 -0.34 -0.01 -0.22 -0.04 0.97 0.36 2nm1A1 VAL 1161 HG23 -1.02 -0.01 -0.46 -0.04 0.95 -0.58 2nm1A1 ARG 1162 H 0.01 0.05 0.07 -0.55 8.46 8.03 2nm1A1 ARG 1162 HA -0.02 0.19 1.01 -0.75 4.34 4.76 2nm1A1 ARG 1162 HB2 0.00 -0.07 0.01 -0.04 1.90 1.80 2nm1A1 ARG 1162 HB3 -0.02 0.16 0.04 -0.04 1.80 1.93 2nm1A1 ARG 1162 HG2 0.06 0.06 -0.26 -0.04 1.67 1.49 2nm1A1 ARG 1162 HG3 0.04 -0.16 -0.37 -0.04 1.67 1.14 2nm1A1 ARG 1162 HD2 0.03 -0.05 -0.06 -0.04 3.22 3.10 2nm1A1 ARG 1162 HD3 0.02 0.06 -0.06 -0.04 3.22 3.19 2nm1A1 LYS 1163 H -0.09 0.49 0.26 -0.55 8.42 8.53 2nm1A1 LYS 1163 HA -0.13 0.03 0.39 -0.75 4.32 3.86 2nm1A1 LYS 1163 HB2 -0.10 0.02 0.16 -0.04 1.87 1.91 2nm1A1 LYS 1163 HB3 -0.13 -0.05 0.08 -0.04 1.79 1.65 2nm1A1 LYS 1163 HG2 -0.13 -0.07 -0.05 -0.04 1.46 1.17 2nm1A1 LYS 1163 HG3 -0.13 0.07 0.00 -0.04 1.46 1.36 2nm1A1 LYS 1163 HD2 -0.12 -0.01 0.08 -0.04 1.69 1.60 2nm1A1 LYS 1163 HD3 -0.11 -0.04 0.04 -0.04 1.68 1.53 2nm1A1 LYS 1163 HE2 -0.15 -0.05 -0.03 -0.04 2.99 2.72 2nm1A1 LYS 1163 HE3 -0.22 0.12 -0.17 -0.04 2.99 2.68 2nm1A1 GLU 1164 H -0.17 0.61 0.39 -0.55 8.60 8.88 2nm1A1 GLU 1164 HA -0.23 0.01 0.37 -0.75 4.29 3.69 2nm1A1 GLU 1164 HB2 -0.10 0.27 0.21 -0.04 2.09 2.43 2nm1A1 GLU 1164 HB3 -0.14 -0.06 0.16 -0.04 1.99 1.90 2nm1A1 GLU 1164 HG2 -0.11 -0.08 -0.37 -0.04 2.34 1.74 2nm1A1 GLU 1164 HG3 -0.07 -0.01 -0.08 -0.04 2.34 2.14 2nm1A1 ASP 1165 H -0.13 0.44 -0.24 -0.55 8.40 7.91 2nm1A1 ASP 1165 HA -0.10 0.03 0.46 -0.75 4.63 4.27 2nm1A1 ASP 1165 HB2 -0.03 0.08 0.11 -0.04 2.71 2.83 2nm1A1 ASP 1165 HB3 0.09 -0.01 -0.05 -0.04 2.70 2.69 2nm1A1 TYR 1166 H 0.06 0.12 0.27 -0.55 8.29 8.19 2nm1A1 TYR 1166 HA -0.08 0.30 1.00 -0.75 4.56 5.03 2nm1A1 TYR 1166 HB2 -0.09 -0.02 0.23 -0.04 3.06 3.13 2nm1A1 TYR 1166 HB3 -0.12 -0.04 0.07 -0.04 2.98 2.85 2nm1A1 TYR 1166 HD2 -0.05 -0.02 -0.05 -0.04 7.15 6.99 2nm1A1 TYR 1166 HE2 -0.02 0.01 -0.03 -0.04 6.85 6.76 2nm1A1 ILE 1167 H -0.04 0.82 0.43 -0.55 8.25 8.91 2nm1A1 ILE 1167 HA -0.12 0.14 1.12 -0.75 4.18 4.57 2nm1A1 ILE 1167 HB 0.07 0.04 0.08 -0.04 1.89 2.04 2nm1A1 ILE 1167 HG12 -0.07 0.11 -0.14 -0.04 1.49 1.35 2nm1A1 ILE 1167 HG13 -0.04 -0.05 -0.57 -0.04 1.21 0.51 2nm1A1 ILE 1167 HG23 0.09 0.00 -0.38 -0.04 0.93 0.60 2nm1A1 ILE 1167 HD13 -0.08 -0.01 -0.21 -0.04 0.88 0.54 2nm1A1 TYR 1168 H 0.04 0.56 0.36 -0.55 8.29 8.70 2nm1A1 TYR 1168 HA -0.01 0.29 0.88 -0.75 4.56 4.98 2nm1A1 TYR 1168 HB2 0.01 -0.07 0.10 -0.04 3.06 3.05 2nm1A1 TYR 1168 HB3 -0.02 0.03 0.00 -0.04 2.98 2.94 2nm1A1 TYR 1168 HD2 0.01 0.19 -0.02 -0.04 7.15 7.29 2nm1A1 TYR 1168 HE2 0.04 -0.06 -0.11 -0.04 6.85 6.68 2nm1A1 LEU 1169 H 0.10 0.30 0.15 -0.55 8.37 8.39 2nm1A1 LEU 1169 HA 0.11 0.13 0.88 -0.75 4.35 4.72 2nm1A1 LEU 1169 HB2 0.01 -0.01 -0.02 -0.04 1.64 1.58 2nm1A1 LEU 1169 HB3 0.07 0.01 0.18 -0.04 1.64 1.86 2nm1A1 LEU 1169 HG 0.36 0.01 -0.28 -0.04 1.64 1.69 2nm1A1 LEU 1169 HD13 0.18 0.01 -0.08 -0.04 0.93 1.00 2nm1A1 LEU 1169 HD23 -0.06 -0.01 -0.10 -0.04 0.89 0.68 2nm1A1 ASP 1170 H 0.12 0.62 0.31 -0.55 8.40 8.90 2nm1A1 ASP 1170 HA 0.13 0.14 0.98 -0.75 4.63 5.14 2nm1A1 ASP 1170 HB2 -0.06 0.03 0.07 -0.04 2.71 2.71 2nm1A1 ASP 1170 HB3 -0.15 0.08 0.16 -0.04 2.70 2.74 2nm1A1 PHE 1171 H -0.23 0.51 0.20 -0.55 8.34 8.28 2nm1A1 PHE 1171 HA -0.48 0.19 0.70 -0.75 4.62 4.27 2nm1A1 PHE 1171 HB2 -0.70 0.04 -0.09 -0.04 3.15 2.35 2nm1A1 PHE 1171 HB3 -0.72 0.04 -0.31 -0.04 3.06 2.03 2nm1A1 PHE 1171 HD2 -0.13 0.03 -0.38 -0.04 7.28 6.76 2nm1A1 PHE 1171 HE2 -0.00 0.07 -0.26 -0.04 7.38 7.15 2nm1A1 PHE 1171 HZ 0.35 0.06 -0.26 -0.04 7.32 7.43 2nm1A1 PHE 1172 H -0.10 0.52 0.24 -0.55 8.34 8.45 2nm1A1 PHE 1172 HA -0.28 0.23 0.95 -0.75 4.62 4.76 2nm1A1 PHE 1172 HB2 -0.11 -0.01 0.18 -0.04 3.15 3.17 2nm1A1 PHE 1172 HB3 -0.13 -0.07 -0.07 -0.04 3.06 2.75 2nm1A1 PHE 1172 HD2 -0.09 0.03 -0.17 -0.04 7.28 7.00 2nm1A1 PHE 1172 HE2 -0.05 0.01 -0.18 -0.04 7.38 7.11 2nm1A1 PHE 1172 HZ -0.04 0.02 -0.17 -0.04 7.32 7.09 2nm1A1 ASN 1173 H -0.39 0.75 0.25 -0.55 8.53 8.59 2nm1A1 ASN 1173 HA -0.30 0.12 0.96 -0.75 4.76 4.78 2nm1A1 ASN 1173 HB2 -1.02 -0.01 -0.14 -0.04 2.88 1.66 2nm1A1 ASN 1173 HB3 -2.05 0.04 0.08 -0.04 2.79 0.82 2nm1A1 ASN 1173 HD21 -1.12 -0.01 -0.07 -0.04 7.03 5.79 2nm1A1 ASN 1173 HD22 -4.63 0.00 -0.09 -0.04 7.74 2.99 2nm1A1 LEU 1174 H -0.16 0.16 0.03 -0.55 8.37 7.85 2nm1A1 LEU 1174 HA -0.10 -0.02 0.38 -0.75 4.35 3.86 2nm1A1 LEU 1174 HB2 -0.18 0.09 -0.14 -0.04 1.64 1.38 2nm1A1 LEU 1174 HB3 -0.08 0.03 0.08 -0.04 1.64 1.63 2nm1A1 LEU 1174 HG -0.07 0.01 0.04 -0.04 1.64 1.58 2nm1A1 LEU 1174 HD13 -0.16 -0.00 -0.00 -0.04 0.93 0.73 2nm1A1 LEU 1174 HD23 -0.07 0.01 -0.02 -0.04 0.89 0.77 2nm1A1 ASN 1175 H -0.08 0.06 -0.03 -0.55 8.53 7.93 2nm1A1 ASN 1175 HA -0.06 -0.02 0.26 -0.75 4.76 4.18 2nm1A1 ASN 1175 HB2 -0.04 -0.09 -0.26 -0.04 2.88 2.45 2nm1A1 ASN 1175 HB3 -0.02 0.15 0.08 -0.04 2.79 2.96 2nm1A1 ASN 1175 HD21 -0.02 -0.02 0.04 -0.04 7.03 7.00 2nm1A1 ASN 1175 HD22 -0.01 0.03 0.04 -0.04 7.74 7.76 2nm1A1 GLN 1176 H -0.06 0.22 -0.60 -0.55 8.47 7.49 2nm1A1 GLN 1176 HA 0.08 0.12 0.82 -0.75 4.36 4.62 2nm1A1 GLN 1176 HB2 0.11 0.07 -0.20 -0.04 2.15 2.08 2nm1A1 GLN 1176 HB3 0.20 0.05 -0.05 -0.04 2.02 2.18 2nm1A1 GLN 1176 HG2 0.24 0.08 -0.05 -0.04 2.40 2.64 2nm1A1 GLN 1176 HG3 0.12 -0.02 0.11 -0.04 2.39 2.56 2nm1A1 GLN 1176 HE21 0.07 -0.03 0.01 -0.04 6.97 6.98 2nm1A1 GLN 1176 HE22 0.06 -0.01 0.04 -0.04 7.69 7.75 2nm1A1 GLU 1177 H 0.13 0.16 0.12 -0.55 8.60 8.46 2nm1A1 GLU 1177 HA -0.04 0.13 0.71 -0.75 4.29 4.34 2nm1A1 GLU 1177 HB2 0.13 -0.03 0.04 -0.04 2.09 2.19 2nm1A1 GLU 1177 HB3 0.03 -0.03 0.15 -0.04 1.99 2.10 2nm1A1 GLU 1177 HG2 -0.12 0.13 -0.14 -0.04 2.34 2.17 2nm1A1 GLU 1177 HG3 -0.35 -0.01 -0.05 -0.04 2.34 1.89 2nm1A1 TRP 1178 H -0.33 0.76 0.42 -0.55 7.97 8.28 2nm1A1 TRP 1178 HA -0.26 0.08 0.81 -0.75 4.62 4.49 2nm1A1 TRP 1178 HB2 -1.55 0.00 -0.04 -0.04 3.23 1.60 2nm1A1 TRP 1178 HB3 -0.53 0.05 -0.06 -0.04 3.23 2.66 2nm1A1 TRP 1178 HD1 -0.21 -0.07 -0.96 -0.04 7.22 5.94 2nm1A1 TRP 1178 HE1 -0.09 0.01 -0.11 -0.04 10.20 9.98 2nm1A1 TRP 1178 HE3 0.11 0.03 -0.39 -0.04 7.59 7.30 2nm1A1 TRP 1178 HZ2 -0.03 -0.00 -0.04 -0.04 7.44 7.33 2nm1A1 TRP 1178 HZ3 0.04 0.10 0.01 -0.04 7.13 7.25 2nm1A1 TRP 1178 HH2 0.00 -0.02 -0.03 -0.04 7.19 7.10 2nm1A1 ARG 1179 H -0.00 0.86 0.31 -0.55 8.46 9.07 2nm1A1 ARG 1179 HA 0.04 0.14 0.95 -0.75 4.34 4.71 2nm1A1 ARG 1179 HB2 -0.22 -0.06 -0.25 -0.04 1.90 1.33 2nm1A1 ARG 1179 HB3 -0.52 0.06 -0.11 -0.04 1.80 1.19 2nm1A1 ARG 1179 HG2 -0.80 0.12 -0.14 -0.04 1.67 0.81 2nm1A1 ARG 1179 HG3 -0.19 -0.01 0.05 -0.04 1.67 1.48 2nm1A1 ARG 1179 HD2 -0.42 -0.04 -0.07 -0.04 3.22 2.65 2nm1A1 ARG 1179 HD3 -0.43 0.03 -0.01 -0.04 3.22 2.77 2nm1A1 VAL 1180 H 0.02 0.47 0.30 -0.55 8.24 8.48 2nm1A1 VAL 1180 HA 0.19 0.15 0.90 -0.75 4.13 4.61 2nm1A1 VAL 1180 HB 0.17 0.01 0.19 -0.04 2.12 2.45 2nm1A1 VAL 1180 HG13 0.16 -0.02 -0.21 -0.04 0.97 0.86 2nm1A1 VAL 1180 HG23 0.40 -0.01 -0.17 -0.04 0.95 1.13 2nm1A1 TYR 1181 H 0.27 0.80 0.38 -0.55 8.29 9.18 2nm1A1 TYR 1181 HA 0.29 0.31 1.07 -0.75 4.56 5.47 2nm1A1 TYR 1181 HB2 0.09 -0.07 -0.02 -0.04 3.06 3.02 2nm1A1 TYR 1181 HB3 0.23 -0.02 -0.02 -0.04 2.98 3.13 2nm1A1 TYR 1181 HD2 -0.09 0.09 -0.25 -0.04 7.15 6.86 2nm1A1 TYR 1181 HE2 -0.19 0.04 -0.14 -0.04 6.85 6.52 2nm1A1 THR 1182 H 0.03 0.56 0.27 -0.55 8.28 8.59 2nm1A1 THR 1182 HA -0.01 0.12 0.96 -0.75 4.39 4.70 2nm1A1 THR 1182 HB -0.94 -0.00 -0.10 -0.04 4.32 3.24 2nm1A1 THR 1182 HG23 -0.49 0.00 -0.09 -0.04 1.22 0.60 2nm1A1 TYR 1183 H 0.27 0.16 0.12 -0.55 8.29 8.29 2nm1A1 TYR 1183 HA -0.52 0.20 0.64 -0.75 4.56 4.12 2nm1A1 TYR 1183 HB2 0.01 0.06 0.13 -0.04 3.06 3.21 2nm1A1 TYR 1183 HB3 0.06 -0.04 0.13 -0.04 2.98 3.08 2nm1A1 TYR 1183 HD2 -0.49 0.11 0.01 -0.04 7.15 6.74 2nm1A1 TYR 1183 HE2 -0.12 0.07 -0.12 -0.04 6.85 6.64 2nm1A1 LYS 1184 H -0.91 0.62 0.23 -0.55 8.42 7.80 2nm1A1 LYS 1184 HA -0.55 0.11 0.42 -0.75 4.32 3.54 2nm1A1 LYS 1184 HB2 -1.89 -0.01 -0.01 -0.04 1.87 -0.09 2nm1A1 LYS 1184 HB3 -1.25 0.00 0.02 -0.04 1.79 0.52 2nm1A1 LYS 1184 HG2 -2.42 -0.01 -0.20 -0.04 1.46 -1.22 2nm1A1 LYS 1184 HG3 -0.89 -0.08 -0.71 -0.04 1.46 -0.27 2nm1A1 LYS 1184 HD2 -0.60 0.14 0.06 -0.04 1.69 1.24 2nm1A1 LYS 1184 HD3 -0.69 -0.06 -0.04 -0.04 1.68 0.85 2nm1A1 LYS 1184 HE2 -0.45 -0.04 -0.21 -0.04 2.99 2.25 2nm1A1 LYS 1184 HE3 -0.29 -0.13 -0.38 -0.04 2.99 2.15 2nm1A1 TYR 1185 H -1.96 0.01 -0.29 -0.55 8.29 5.50 2nm1A1 TYR 1185 HA -0.43 0.36 1.00 -0.75 4.56 4.74 2nm1A1 TYR 1185 HB2 -0.54 -0.05 0.05 -0.04 3.06 2.48 2nm1A1 TYR 1185 HB3 -0.26 0.03 0.10 -0.04 2.98 2.80 2nm1A1 TYR 1185 HD2 -0.30 0.06 -0.08 -0.04 7.15 6.79 2nm1A1 TYR 1185 HE2 -0.18 -0.01 -0.05 -0.04 6.85 6.57 2nm1A1 PHE 1186 H 0.04 0.21 -0.22 -0.55 8.34 7.81 2nm1A1 PHE 1186 HA 0.26 -0.01 0.43 -0.75 4.62 4.55 2nm1A1 PHE 1186 HB2 0.12 -0.08 -0.04 -0.04 3.15 3.11 2nm1A1 PHE 1186 HB3 0.20 -0.03 0.04 -0.04 3.06 3.23 2nm1A1 PHE 1186 HD2 0.03 0.09 -0.27 -0.04 7.28 7.09 2nm1A1 PHE 1186 HE2 0.04 0.06 -0.19 -0.04 7.38 7.25 2nm1A1 PHE 1186 HZ 0.07 0.16 -0.13 -0.04 7.32 7.38 2nm1A1 LYS 1187 H 0.19 0.02 0.18 -0.55 8.42 8.25 2nm1A1 LYS 1187 HA -0.05 0.31 0.91 -0.75 4.32 4.74 2nm1A1 LYS 1187 HB2 0.05 0.05 0.05 -0.04 1.87 1.98 2nm1A1 LYS 1187 HB3 0.07 -0.06 0.04 -0.04 1.79 1.79 2nm1A1 LYS 1187 HG2 0.02 -0.03 0.10 -0.04 1.46 1.51 2nm1A1 LYS 1187 HG3 -0.02 0.06 0.07 -0.04 1.46 1.53 2nm1A1 LYS 1187 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2nm1A1 LYS 1187 HD3 0.02 -0.03 0.01 -0.04 1.68 1.63 2nm1A1 LYS 1187 HE2 0.00 -0.02 0.01 -0.04 2.99 2.95 2nm1A1 LYS 1187 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 2nm1A1 LYS 1188 H 0.25 -0.05 -0.05 -0.55 8.42 8.03 2nm1A1 LYS 1188 HA 0.11 0.16 0.62 -0.75 4.32 4.45 2nm1A1 LYS 1188 HB2 0.20 0.13 0.08 -0.04 1.87 2.25 2nm1A1 LYS 1188 HB3 0.11 -0.16 0.23 -0.04 1.79 1.94 2nm1A1 LYS 1188 HG2 0.10 0.04 0.04 -0.04 1.46 1.60 2nm1A1 LYS 1188 HG3 0.14 -0.07 0.04 -0.04 1.46 1.53 2nm1A1 LYS 1188 HD2 0.14 -0.01 0.09 -0.04 1.69 1.86 2nm1A1 LYS 1188 HD3 0.13 0.01 0.05 -0.04 1.68 1.83 2nm1A1 LYS 1188 HE2 0.18 -0.05 0.08 -0.04 2.99 3.15 2nm1A1 LYS 1188 HE3 0.24 0.20 0.14 -0.04 2.99 3.53 2nm1A1 GLU 1189 H 0.08 0.10 0.17 -0.55 8.60 8.41 2nm1A1 GLU 1189 HA 0.15 0.17 0.47 -0.75 4.29 4.32 2nm1A1 GLU 1189 HB2 0.04 0.05 0.16 -0.04 2.09 2.30 2nm1A1 GLU 1189 HB3 -0.04 -0.01 0.11 -0.04 1.99 2.01 2nm1A1 GLU 1189 HG2 0.08 0.02 0.03 -0.04 2.34 2.42 2nm1A1 GLU 1189 HG3 0.11 -0.25 0.07 -0.04 2.34 2.24 2nm1A1 GLU 1190 H 0.02 0.16 0.02 -0.55 8.60 8.25 2nm1A1 GLU 1190 HA -0.05 0.22 0.80 -0.75 4.29 4.51 2nm1A1 GLU 1190 HB2 -0.11 0.19 0.08 -0.04 2.09 2.21 2nm1A1 GLU 1190 HB3 -0.16 -0.18 0.06 -0.04 1.99 1.67 2nm1A1 GLU 1190 HG2 -0.43 -0.02 0.01 -0.04 2.34 1.87 2nm1A1 GLU 1190 HG3 -1.43 0.02 -0.12 -0.04 2.34 0.78 2nm1A1 GLU 1191 H -0.19 0.50 0.29 -0.55 8.60 8.66 2nm1A1 GLU 1191 HA 0.22 0.12 0.75 -0.75 4.29 4.63 2nm1A1 GLU 1191 HB2 -0.09 -0.03 -0.22 -0.04 2.09 1.71 2nm1A1 GLU 1191 HB3 -0.43 0.03 -0.04 -0.04 1.99 1.51 2nm1A1 GLU 1191 HG2 0.10 -0.05 0.05 -0.04 2.34 2.41 2nm1A1 GLU 1191 HG3 -0.07 0.22 0.13 -0.04 2.34 2.59 2nm1A1 LYS 1192 H -0.25 0.10 0.15 -0.55 8.42 7.87 2nm1A1 LYS 1192 HA -0.09 0.17 0.59 -0.75 4.32 4.24 2nm1A1 LYS 1192 HB2 -0.24 -0.03 0.09 -0.04 1.87 1.65 2nm1A1 LYS 1192 HB3 -0.18 0.09 0.11 -0.04 1.79 1.77 2nm1A1 LYS 1192 HG2 -1.23 0.02 -0.02 -0.04 1.46 0.19 2nm1A1 LYS 1192 HG3 -1.10 -0.09 0.07 -0.04 1.46 0.31 2nm1A1 LYS 1192 HD2 -0.52 0.00 -0.01 -0.04 1.69 1.12 2nm1A1 LYS 1192 HD3 -0.87 0.02 -0.03 -0.04 1.68 0.76 2nm1A1 LYS 1192 HE2 -1.68 -0.01 -0.06 -0.04 2.99 1.21 2nm1A1 LYS 1192 HE3 -0.91 -0.03 -0.02 -0.04 2.99 1.99 2nm1A1 LEU 1193 H 0.01 0.47 0.35 -0.55 8.37 8.66 2nm1A1 LEU 1193 HA 0.02 0.05 0.65 -0.75 4.35 4.32 2nm1A1 LEU 1193 HB2 -0.13 -0.06 0.01 -0.04 1.64 1.42 2nm1A1 LEU 1193 HB3 -0.01 0.11 -0.02 -0.04 1.64 1.68 2nm1A1 LEU 1193 HG -0.18 -0.13 -0.24 -0.04 1.64 1.06 2nm1A1 LEU 1193 HD13 -0.92 0.00 -0.18 -0.04 0.93 -0.21 2nm1A1 LEU 1193 HD23 -0.02 0.00 -0.23 -0.04 0.89 0.61 2nm1A1 PHE 1194 H 0.27 0.64 0.27 -0.55 8.34 8.97 2nm1A1 PHE 1194 HA 0.04 0.26 0.82 -0.75 4.62 4.99 2nm1A1 PHE 1194 HB2 0.04 -0.04 -0.02 -0.04 3.15 3.09 2nm1A1 PHE 1194 HB3 -0.11 -0.07 0.01 -0.04 3.06 2.85 2nm1A1 PHE 1194 HD2 -0.94 0.06 -0.04 -0.04 7.28 6.32 2nm1A1 PHE 1194 HE2 -0.56 -0.01 -0.08 -0.04 7.38 6.69 2nm1A1 PHE 1194 HZ -0.31 -0.02 -0.07 -0.04 7.32 6.88 2nm1A1 LEU 1195 H 0.14 0.65 0.16 -0.55 8.37 8.78 2nm1A1 LEU 1195 HA 0.23 0.31 0.97 -0.75 4.35 5.10 2nm1A1 LEU 1195 HB2 0.24 -0.02 -0.14 -0.04 1.64 1.67 2nm1A1 LEU 1195 HB3 0.56 -0.02 -0.13 -0.04 1.64 2.01 2nm1A1 LEU 1195 HG -0.04 0.04 -0.19 -0.04 1.64 1.40 2nm1A1 LEU 1195 HD13 0.27 0.02 -0.38 -0.04 0.93 0.81 2nm1A1 LEU 1195 HD23 -0.15 -0.03 -0.28 -0.04 0.89 0.40 2nm1A1 ALA 1196 H -0.02 0.56 0.24 -0.55 8.40 8.63 2nm1A1 ALA 1196 HA -0.96 0.12 0.74 -0.75 4.34 3.48 2nm1A1 ALA 1196 HB3 -1.10 0.01 -0.10 -0.04 1.41 0.18 2nm1A1 PRO 1197 HA -0.97 0.09 0.50 -0.51 4.44 3.55 2nm1A1 PRO 1197 HB2 -0.42 0.02 -0.07 -0.04 2.28 1.77 2nm1A1 PRO 1197 HB3 -0.42 0.05 0.09 -0.04 2.02 1.70 2nm1A1 PRO 1197 HG2 -0.55 0.03 0.04 -0.04 2.03 1.51 2nm1A1 PRO 1197 HG3 -1.51 0.06 0.02 -0.04 2.03 0.56 2nm1A1 PRO 1197 HD2 -0.79 0.10 0.14 -0.04 3.68 3.09 2nm1A1 PRO 1197 HD3 -2.09 0.13 0.18 -0.04 3.65 1.82 2nm1A1 ILE 1198 H -0.20 0.20 0.19 -0.55 8.25 7.89 2nm1A1 ILE 1198 HA -0.02 0.08 0.51 -0.75 4.18 4.00 2nm1A1 ILE 1198 HB -0.08 -0.01 0.18 -0.04 1.89 1.93 2nm1A1 ILE 1198 HG12 -0.16 -0.01 -0.12 -0.04 1.49 1.17 2nm1A1 ILE 1198 HG13 -0.11 0.04 -0.08 -0.04 1.21 1.01 2nm1A1 ILE 1198 HG23 -0.11 -0.01 -0.15 -0.04 0.93 0.62 2nm1A1 ILE 1198 HD13 -0.07 -0.01 -0.06 -0.04 0.88 0.70 2nm1A1 SER 1199 H 0.07 0.36 0.19 -0.55 8.46 8.53 2nm1A1 SER 1199 HA -0.03 0.03 0.44 -0.75 4.49 4.17 2nm1A1 SER 1199 HB2 -0.10 0.07 -0.50 -0.04 3.95 3.37 2nm1A1 SER 1199 HB3 -0.10 0.03 -0.19 -0.04 3.93 3.64 2nm1A1 ASP 1200 H -0.01 0.10 0.13 -0.55 8.40 8.08 2nm1A1 ASP 1200 HA 0.05 0.12 0.61 -0.75 4.63 4.66 2nm1A1 ASP 1200 HB2 0.01 -0.01 0.08 -0.04 2.71 2.75 2nm1A1 ASP 1200 HB3 0.03 0.02 0.03 -0.04 2.70 2.75 2nm1A1 SER 1201 H 0.06 0.31 0.23 -0.55 8.46 8.52 2nm1A1 SER 1201 HA 0.04 0.10 0.65 -0.75 4.49 4.53 2nm1A1 SER 1201 HB2 0.04 0.18 -0.28 -0.04 3.95 3.85 2nm1A1 SER 1201 HB3 0.12 0.08 -0.06 -0.04 3.93 4.03 2nm1A1 ASP 1202 H 0.03 0.12 0.18 -0.55 8.40 8.18 2nm1A1 ASP 1202 HA 0.00 0.21 0.77 -0.75 4.63 4.85 2nm1A1 ASP 1202 HB2 0.01 -0.02 0.11 -0.04 2.71 2.76 2nm1A1 ASP 1202 HB3 0.01 0.04 0.06 -0.04 2.70 2.77 2nm1A1 GLU 1203 H -0.04 0.00 0.05 -0.55 8.60 8.06 2nm1A1 GLU 1203 HA -0.38 0.28 0.86 -0.75 4.29 4.30 2nm1A1 GLU 1203 HB2 -0.32 -0.03 0.18 -0.04 2.09 1.88 2nm1A1 GLU 1203 HB3 -0.04 0.05 0.04 -0.04 1.99 2.00 2nm1A1 GLU 1203 HG2 -0.04 -0.15 0.12 -0.04 2.34 2.23 2nm1A1 GLU 1203 HG3 -0.28 0.05 -0.03 -0.04 2.34 2.04 2nm1A1 PHE 1204 H -0.05 0.22 -0.35 -0.55 8.34 7.60 2nm1A1 PHE 1204 HA -0.17 0.18 0.98 -0.75 4.62 4.86 2nm1A1 PHE 1204 HB2 -0.10 -0.04 -0.10 -0.04 3.15 2.87 2nm1A1 PHE 1204 HB3 0.09 0.11 -0.15 -0.04 3.06 3.07 2nm1A1 PHE 1204 HD2 0.01 -0.05 -0.39 -0.04 7.28 6.82 2nm1A1 PHE 1204 HE2 -0.25 -0.01 -0.09 -0.04 7.38 6.99 2nm1A1 PHE 1204 HZ -0.77 0.01 -0.06 -0.04 7.32 6.46 2nm1A1 TYR 1205 H 0.12 0.67 0.25 -0.55 8.29 8.78 2nm1A1 TYR 1205 HA 0.17 0.14 0.84 -0.75 4.56 4.96 2nm1A1 TYR 1205 HB2 -0.03 -0.04 0.07 -0.04 3.06 3.02 2nm1A1 TYR 1205 HB3 0.23 0.11 0.05 -0.04 2.98 3.33 2nm1A1 TYR 1205 HD2 0.01 0.05 -0.01 -0.04 7.15 7.16 2nm1A1 TYR 1205 HE2 -0.05 0.05 0.02 -0.04 6.85 6.83 2nm1A1 ASN 1206 H 0.43 0.07 0.25 -0.55 8.53 8.74 2nm1A1 ASN 1206 HA 0.46 0.28 1.01 -0.75 4.76 5.76 2nm1A1 ASN 1206 HB2 0.03 -0.01 0.10 -0.04 2.88 2.96 2nm1A1 ASN 1206 HB3 0.41 0.03 -0.15 -0.04 2.79 3.04 2nm1A1 ASN 1206 HD21 0.13 -0.04 -0.03 -0.04 7.03 7.06 2nm1A1 ASN 1206 HD22 0.07 0.03 -0.05 -0.04 7.74 7.75 2nm1A1 THR 1207 H 0.37 0.01 0.20 -0.55 8.28 8.31 2nm1A1 THR 1207 HA 0.14 0.25 0.77 -0.75 4.39 4.79 2nm1A1 THR 1207 HB 0.14 0.11 0.09 -0.04 4.32 4.62 2nm1A1 THR 1207 HG23 0.06 -0.01 -0.19 -0.04 1.22 1.04 2nm1A1 ILE 1208 H -0.02 0.62 0.40 -0.55 8.25 8.70 2nm1A1 ILE 1208 HA -0.19 0.23 0.96 -0.75 4.18 4.43 2nm1A1 ILE 1208 HB -0.17 -0.03 -0.08 -0.04 1.89 1.57 2nm1A1 ILE 1208 HG12 -1.45 -0.02 -0.30 -0.04 1.49 -0.33 2nm1A1 ILE 1208 HG13 -0.59 0.03 -0.56 -0.04 1.21 0.05 2nm1A1 ILE 1208 HG23 -0.22 -0.03 -0.38 -0.04 0.93 0.26 2nm1A1 ILE 1208 HD13 -0.36 -0.03 -0.13 -0.04 0.88 0.32 2nm1A1 GLN 1209 H -0.07 0.87 0.33 -0.55 8.47 9.06 2nm1A1 GLN 1209 HA -0.27 0.31 1.01 -0.75 4.36 4.65 2nm1A1 GLN 1209 HB2 -0.19 -0.02 -0.01 -0.04 2.15 1.89 2nm1A1 GLN 1209 HB3 -0.10 -0.06 0.10 -0.04 2.02 1.93 2nm1A1 GLN 1209 HG2 -0.26 -0.05 -0.26 -0.04 2.40 1.79 2nm1A1 GLN 1209 HG3 -0.62 0.21 -0.18 -0.04 2.39 1.75 2nm1A1 GLN 1209 HE21 -0.14 -0.05 0.03 -0.04 6.97 6.76 2nm1A1 GLN 1209 HE22 -0.62 0.47 0.11 -0.04 7.69 7.60 2nm1A1 ILE 1210 H -0.19 0.53 0.16 -0.55 8.25 8.20 2nm1A1 ILE 1210 HA -0.10 0.21 0.93 -0.75 4.18 4.46 2nm1A1 ILE 1210 HB -0.11 -0.05 -0.05 -0.04 1.89 1.64 2nm1A1 ILE 1210 HG12 -0.08 0.01 -0.14 -0.04 1.49 1.24 2nm1A1 ILE 1210 HG13 -0.03 0.11 0.05 -0.04 1.21 1.30 2nm1A1 ILE 1210 HG23 -0.14 0.02 -0.01 -0.04 0.93 0.76 2nm1A1 ILE 1210 HD13 -0.07 -0.01 -0.14 -0.04 0.88 0.61 2nm1A1 LYS 1211 H -0.13 0.78 0.42 -0.55 8.42 8.94 2nm1A1 LYS 1211 HA -0.25 0.16 1.09 -0.75 4.32 4.56 2nm1A1 LYS 1211 HB2 -0.71 -0.09 -0.11 -0.04 1.87 0.92 2nm1A1 LYS 1211 HB3 -0.71 0.02 0.01 -0.04 1.79 1.06 2nm1A1 LYS 1211 HG2 -0.16 0.07 -0.21 -0.04 1.46 1.12 2nm1A1 LYS 1211 HG3 -0.19 -0.04 -0.15 -0.04 1.46 1.05 2nm1A1 LYS 1211 HD2 -0.21 0.05 -0.32 -0.04 1.69 1.17 2nm1A1 LYS 1211 HD3 -0.10 0.02 -0.20 -0.04 1.68 1.36 2nm1A1 LYS 1211 HE2 0.04 -0.02 -0.09 -0.04 2.99 2.88 2nm1A1 LYS 1211 HE3 -0.37 -0.01 -0.08 -0.04 2.99 2.49 2nm1A1 GLU 1212 H -0.37 0.26 0.04 -0.55 8.60 7.98 2nm1A1 GLU 1212 HA -0.20 0.11 0.83 -0.75 4.29 4.27 2nm1A1 GLU 1212 HB2 -0.14 0.01 -0.07 -0.04 2.09 1.85 2nm1A1 GLU 1212 HB3 -0.16 0.01 0.18 -0.04 1.99 1.97 2nm1A1 GLU 1212 HG2 -0.11 0.07 0.01 -0.04 2.34 2.26 2nm1A1 GLU 1212 HG3 -0.13 0.14 -0.09 -0.04 2.34 2.22 2nm1A1 TYR 1213 H -0.28 0.09 0.02 -0.55 8.29 7.57 2nm1A1 TYR 1213 HA -0.18 0.18 0.64 -0.75 4.56 4.45 2nm1A1 TYR 1213 HB2 -0.58 -0.06 0.01 -0.04 3.06 2.39 2nm1A1 TYR 1213 HB3 -0.24 0.16 0.05 -0.04 2.98 2.91 2nm1A1 TYR 1213 HD2 -0.01 0.03 -0.06 -0.04 7.15 7.06 2nm1A1 TYR 1213 HE2 0.02 -0.01 -0.11 -0.04 6.85 6.71 2nm1A1 ASP 1214 H -0.43 0.01 -0.09 -0.55 8.40 7.34 2nm1A1 ASP 1214 HA -0.29 -0.03 0.49 -0.75 4.63 4.05 2nm1A1 ASP 1214 HB2 -0.26 -0.07 0.03 -0.04 2.71 2.37 2nm1A1 ASP 1214 HB3 -0.12 0.16 -0.03 -0.04 2.70 2.68 2nm1A1 GLU 1215 H 0.01 -0.01 0.21 -0.55 8.60 8.26 2nm1A1 GLU 1215 HA -0.02 0.24 0.72 -0.75 4.29 4.47 2nm1A1 GLU 1215 HB2 0.02 -0.10 0.12 -0.04 2.09 2.09 2nm1A1 GLU 1215 HB3 0.00 -0.01 0.08 -0.04 1.99 2.02 2nm1A1 GLU 1215 HG2 -0.00 0.05 -0.01 -0.04 2.34 2.33 2nm1A1 GLU 1215 HG3 0.00 0.11 -0.06 -0.04 2.34 2.35 2nm1A1 GLN 1216 H 0.02 -0.09 -0.00 -0.55 8.47 7.85 2nm1A1 GLN 1216 HA 0.00 0.16 0.69 -0.75 4.36 4.47 2nm1A1 GLN 1216 HB2 0.05 -0.04 0.01 -0.04 2.15 2.13 2nm1A1 GLN 1216 HB3 0.05 0.10 0.07 -0.04 2.02 2.20 2nm1A1 GLN 1216 HG2 0.05 -0.15 0.02 -0.04 2.40 2.28 2nm1A1 GLN 1216 HG3 0.05 -0.00 0.02 -0.04 2.39 2.43 2nm1A1 GLN 1216 HE21 0.03 0.01 -0.04 -0.04 6.97 6.92 2nm1A1 GLN 1216 HE22 0.03 -0.08 -0.06 -0.04 7.69 7.55 2nm1A1 PRO 1217 HA -0.09 0.11 0.34 -0.51 4.44 4.30 2nm1A1 PRO 1217 HB2 -0.10 -0.04 0.03 -0.04 2.28 2.13 2nm1A1 PRO 1217 HB3 -0.23 0.10 0.04 -0.04 2.02 1.89 2nm1A1 PRO 1217 HG2 -0.71 -0.02 -0.03 -0.04 2.03 1.23 2nm1A1 PRO 1217 HG3 -0.26 0.11 0.05 -0.04 2.03 1.89 2nm1A1 PRO 1217 HD2 0.04 0.05 0.15 -0.04 3.68 3.88 2nm1A1 PRO 1217 HD3 -0.04 0.11 0.22 -0.04 3.65 3.90 2nm1A1 THR 1218 H -0.06 0.39 0.26 -0.55 8.28 8.32 2nm1A1 THR 1218 HA -0.15 0.07 0.60 -0.75 4.39 4.16 2nm1A1 THR 1218 HB -0.01 0.11 -0.21 -0.04 4.32 4.18 2nm1A1 THR 1218 HG23 -0.03 0.03 -0.07 -0.04 1.22 1.11 2nm1A1 TYR 1219 H -0.03 0.10 0.14 -0.55 8.29 7.94 2nm1A1 TYR 1219 HA -0.02 0.23 0.86 -0.75 4.56 4.88 2nm1A1 TYR 1219 HB2 -0.08 -0.06 0.01 -0.04 3.06 2.88 2nm1A1 TYR 1219 HB3 -0.04 0.11 0.01 -0.04 2.98 3.01 2nm1A1 TYR 1219 HD2 -0.09 0.14 -0.07 -0.04 7.15 7.08 2nm1A1 TYR 1219 HE2 0.08 0.07 -0.08 -0.04 6.85 6.88 2nm1A1 SER 1220 H 0.06 -0.05 0.01 -0.55 8.46 7.93 2nm1A1 SER 1220 HA 0.11 0.31 0.79 -0.75 4.49 4.95 2nm1A1 SER 1220 HB2 0.07 -0.06 0.03 -0.04 3.95 3.95 2nm1A1 SER 1220 HB3 0.06 -0.02 0.01 -0.04 3.93 3.94 2nm1A1 CYS 1221 H 0.11 0.71 0.46 -0.55 8.50 9.23 2nm1A1 CYS 1221 HA -0.01 0.16 0.92 -0.75 4.58 4.90 2nm1A1 CYS 1221 HB2 0.00 0.09 0.20 -0.04 2.97 3.22 2nm1A1 CYS 1221 HB3 0.04 0.04 -0.07 -0.04 2.97 2.93 2nm1A1 GLN 1222 H -0.04 0.59 0.35 -0.55 8.47 8.83 2nm1A1 GLN 1222 HA 0.22 0.35 1.06 -0.75 4.36 5.23 2nm1A1 GLN 1222 HB2 -0.00 -0.09 -0.03 -0.04 2.15 1.99 2nm1A1 GLN 1222 HB3 0.21 -0.02 0.03 -0.04 2.02 2.20 2nm1A1 GLN 1222 HG2 0.41 -0.04 -0.13 -0.04 2.40 2.60 2nm1A1 GLN 1222 HG3 0.17 0.25 -0.20 -0.04 2.39 2.57 2nm1A1 GLN 1222 HE21 -0.05 0.05 -0.18 -0.04 6.97 6.74 2nm1A1 GLN 1222 HE22 0.14 0.07 -0.30 -0.04 7.69 7.56 2nm1A1 LEU 1223 H 0.17 0.26 0.21 -0.55 8.37 8.45 2nm1A1 LEU 1223 HA -0.05 0.24 0.94 -0.75 4.35 4.72 2nm1A1 LEU 1223 HB2 -0.06 -0.07 0.20 -0.04 1.64 1.66 2nm1A1 LEU 1223 HB3 -0.17 0.03 -0.04 -0.04 1.64 1.41 2nm1A1 LEU 1223 HG 0.06 -0.04 -0.25 -0.04 1.64 1.37 2nm1A1 LEU 1223 HD13 -0.42 0.01 -0.11 -0.04 0.93 0.36 2nm1A1 LEU 1223 HD23 0.02 0.05 -0.23 -0.04 0.89 0.69 2nm1A1 LEU 1224 H -0.05 0.82 0.30 -0.55 8.37 8.89 2nm1A1 LEU 1224 HA 0.11 0.16 0.99 -0.75 4.35 4.86 2nm1A1 LEU 1224 HB2 0.11 -0.06 -0.03 -0.04 1.64 1.62 2nm1A1 LEU 1224 HB3 0.01 0.05 0.17 -0.04 1.64 1.83 2nm1A1 LEU 1224 HG 0.10 0.10 -0.27 -0.04 1.64 1.53 2nm1A1 LEU 1224 HD13 0.16 0.02 -0.07 -0.04 0.93 1.00 2nm1A1 LEU 1224 HD23 0.10 0.00 -0.08 -0.04 0.89 0.88 2nm1A1 PHE 1225 H 0.26 0.49 0.33 -0.55 8.34 8.87 2nm1A1 PHE 1225 HA 0.07 0.21 0.69 -0.75 4.62 4.83 2nm1A1 PHE 1225 HB2 0.10 0.01 0.10 -0.04 3.15 3.31 2nm1A1 PHE 1225 HB3 0.07 -0.02 -0.11 -0.04 3.06 2.96 2nm1A1 PHE 1225 HD2 0.10 0.04 -0.17 -0.04 7.28 7.21 2nm1A1 PHE 1225 HE2 0.06 0.02 -0.26 -0.04 7.38 7.15 2nm1A1 PHE 1225 HZ 0.06 0.08 -0.42 -0.04 7.32 7.00 2nm1A1 LYS 1226 H 0.19 0.67 0.28 -0.55 8.42 9.00 2nm1A1 LYS 1226 HA 0.00 0.17 0.90 -0.75 4.32 4.64 2nm1A1 LYS 1226 HB2 0.11 -0.09 -0.21 -0.04 1.87 1.64 2nm1A1 LYS 1226 HB3 0.05 0.16 -0.18 -0.04 1.79 1.78 2nm1A1 LYS 1226 HG2 0.12 0.03 -0.34 -0.04 1.46 1.24 2nm1A1 LYS 1226 HG3 0.37 -0.01 -0.17 -0.04 1.46 1.61 2nm1A1 LYS 1226 HD2 0.08 0.07 -0.01 -0.04 1.69 1.79 2nm1A1 LYS 1226 HD3 0.10 -0.07 -0.15 -0.04 1.68 1.51 2nm1A1 LYS 1226 HE2 0.27 -0.04 -0.04 -0.04 2.99 3.14 2nm1A1 LYS 1226 HE3 0.10 0.16 -0.00 -0.04 2.99 3.21 2nm1A1 LYS 1227 H -0.17 0.27 0.09 -0.55 8.42 8.06 2nm1A1 LYS 1227 HA -1.14 0.06 0.44 -0.75 4.32 2.93 2nm1A1 LYS 1227 HB2 -0.19 0.03 0.07 -0.04 1.87 1.73 2nm1A1 LYS 1227 HB3 -0.07 -0.09 0.14 -0.04 1.79 1.73 2nm1A1 LYS 1227 HG2 0.21 0.04 0.02 -0.04 1.46 1.69 2nm1A1 LYS 1227 HG3 0.07 -0.02 -0.00 -0.04 1.46 1.47 2nm1A1 LYS 1227 HD2 0.24 0.03 -0.09 -0.04 1.69 1.83 2nm1A1 LYS 1227 HD3 0.21 0.01 -0.03 -0.04 1.68 1.83 2nm1A1 LYS 1227 HE2 0.02 0.01 -0.30 -0.04 2.99 2.68 2nm1A1 LYS 1227 HE3 0.07 -0.02 -0.14 -0.04 2.99 2.86 2nm1A1 ASP 1228 H -0.06 0.30 0.07 -0.55 8.40 8.17 2nm1A1 ASP 1228 HA -0.02 0.17 0.69 -0.75 4.63 4.72 2nm1A1 ASP 1228 HB2 0.02 0.11 -0.11 -0.04 2.71 2.69 2nm1A1 ASP 1228 HB3 -0.02 -0.14 0.05 -0.04 2.70 2.55 2nm1A1 GLU 1229 H -0.19 0.13 0.10 -0.55 8.60 8.09 2nm1A1 GLU 1229 HA -0.65 0.13 0.35 -0.75 4.29 3.37 2nm1A1 GLU 1229 HB2 -0.34 -0.09 0.11 -0.04 2.09 1.73 2nm1A1 GLU 1229 HB3 -0.86 0.09 0.02 -0.04 1.99 1.19 2nm1A1 GLU 1229 HG2 -1.39 0.06 0.03 -0.04 2.34 1.00 2nm1A1 GLU 1229 HG3 -0.39 -0.07 0.06 -0.04 2.34 1.90 2nm1A1 GLU 1230 H -0.11 -0.08 -0.18 -0.55 8.60 7.69 2nm1A1 GLU 1230 HA -0.03 0.12 0.38 -0.75 4.29 4.00 2nm1A1 GLU 1230 HB2 -0.03 -0.13 0.10 -0.04 2.09 1.99 2nm1A1 GLU 1230 HB3 -0.02 0.03 -0.02 -0.04 1.99 1.94 2nm1A1 GLU 1230 HG2 -0.03 0.06 0.00 -0.04 2.34 2.33 2nm1A1 GLU 1230 HG3 -0.07 -0.08 0.04 -0.04 2.34 2.19 2nm1A1 SER 1231 H -0.02 -0.09 -0.09 -0.55 8.46 7.72 2nm1A1 SER 1231 HA 0.01 -0.00 0.37 -0.75 4.49 4.11 2nm1A1 SER 1231 HB2 0.00 -0.08 0.09 -0.04 3.95 3.92 2nm1A1 SER 1231 HB3 0.00 0.02 0.12 -0.04 3.93 4.03 2nm1A1 THR 1232 H 0.01 0.06 0.18 -0.55 8.28 7.98 2nm1A1 THR 1232 HA 0.04 0.27 0.59 -0.75 4.39 4.54 2nm1A1 THR 1232 HB 0.03 0.01 0.16 -0.04 4.32 4.48 2nm1A1 THR 1232 HG23 0.02 0.01 0.05 -0.04 1.22 1.27 2nm1A1 ASP 1233 H 0.01 -0.10 -0.45 -0.55 8.40 7.32 2nm1A1 ASP 1233 HA 0.02 0.05 0.41 -0.75 4.63 4.36 2nm1A1 ASP 1233 HB2 0.01 -0.05 0.06 -0.04 2.71 2.69 2nm1A1 ASP 1233 HB3 -0.02 -0.09 0.02 -0.04 2.70 2.57 2nm1A1 GLU 1234 H 0.03 0.16 0.15 -0.55 8.60 8.39 2nm1A1 GLU 1234 HA 0.05 0.23 0.99 -0.75 4.29 4.81 2nm1A1 GLU 1234 HB2 0.05 -0.02 0.14 -0.04 2.09 2.22 2nm1A1 GLU 1234 HB3 0.08 -0.05 -0.04 -0.04 1.99 1.93 2nm1A1 GLU 1234 HG2 0.09 0.02 -0.03 -0.04 2.34 2.37 2nm1A1 GLU 1234 HG3 0.06 0.14 -0.21 -0.04 2.34 2.28 2nm1A1 ILE 1235 H 0.07 0.44 0.16 -0.55 8.25 8.37 2nm1A1 ILE 1235 HA 0.10 0.10 0.51 -0.75 4.18 4.13 2nm1A1 ILE 1235 HB 0.17 0.03 -0.03 -0.04 1.89 2.02 2nm1A1 ILE 1235 HG12 -0.14 0.04 -0.19 -0.04 1.49 1.16 2nm1A1 ILE 1235 HG13 -0.50 0.00 -0.27 -0.04 1.21 0.40 2nm1A1 ILE 1235 HG23 0.32 -0.00 -0.15 -0.04 0.93 1.05 2nm1A1 ILE 1235 HD13 -0.06 -0.01 -0.20 -0.04 0.88 0.57 2nm1A1 GLY 1236 H 0.20 0.26 0.14 -0.55 8.43 8.49 2nm1A1 GLY 1236 HA2 0.20 0.03 0.29 -0.51 4.01 4.02 2nm1A1 GLY 1236 HA3 0.25 0.08 0.38 -0.51 4.01 4.22 2nm1A1 LEU 1237 H 0.27 0.52 0.33 -0.55 8.37 8.94 2nm1A1 LEU 1237 HA 0.22 0.34 1.14 -0.75 4.35 5.29 2nm1A1 LEU 1237 HB2 0.33 -0.13 0.07 -0.04 1.64 1.87 2nm1A1 LEU 1237 HB3 0.20 0.12 0.03 -0.04 1.64 1.95 2nm1A1 LEU 1237 HG 0.20 -0.07 -0.24 -0.04 1.64 1.49 2nm1A1 LEU 1237 HD13 0.19 -0.03 -0.23 -0.04 0.93 0.82 2nm1A1 LEU 1237 HD23 0.23 0.04 -0.20 -0.04 0.89 0.92 2nm1A1 ILE 1238 H 0.19 0.48 0.36 -0.55 8.25 8.73 2nm1A1 ILE 1238 HA 0.19 0.25 0.79 -0.75 4.18 4.66 2nm1A1 ILE 1238 HB 0.05 -0.06 0.20 -0.04 1.89 2.04 2nm1A1 ILE 1238 HG12 0.13 0.04 -0.05 -0.04 1.49 1.56 2nm1A1 ILE 1238 HG13 0.09 0.01 0.00 -0.04 1.21 1.27 2nm1A1 ILE 1238 HG23 -0.09 0.02 -0.08 -0.04 0.93 0.74 2nm1A1 ILE 1238 HD13 -0.23 -0.01 -0.10 -0.04 0.88 0.50 2nm1A1 GLY 1239 H 0.33 0.56 0.25 -0.55 8.43 9.03 2nm1A1 GLY 1239 HA2 0.40 0.31 0.56 -0.51 4.01 4.77 2nm1A1 GLY 1239 HA3 0.33 -0.10 0.17 -0.51 4.01 3.90 2nm1A1 ILE 1240 H 0.24 0.21 0.11 -0.55 8.25 8.27 2nm1A1 ILE 1240 HA 0.35 0.28 0.95 -0.75 4.18 5.01 2nm1A1 ILE 1240 HB 0.06 -0.03 0.04 -0.04 1.89 1.92 2nm1A1 ILE 1240 HG12 0.35 0.04 -0.20 -0.04 1.49 1.65 2nm1A1 ILE 1240 HG13 0.10 -0.01 -0.35 -0.04 1.21 0.91 2nm1A1 ILE 1240 HG23 0.10 -0.01 -0.23 -0.04 0.93 0.74 2nm1A1 ILE 1240 HD13 -0.06 -0.00 -0.14 -0.04 0.88 0.64 2nm1A1 HIS 1241 H 0.34 0.58 0.26 -0.55 8.41 9.05 2nm1A1 HIS 1241 HA -0.04 0.16 0.91 -0.75 4.63 4.91 2nm1A1 HIS 1241 HB2 0.02 -0.02 -0.30 -0.04 3.26 2.93 2nm1A1 HIS 1241 HB3 -0.00 0.02 -0.13 -0.04 3.20 3.05 2nm1A1 HIS 1241 HD2 -0.19 0.03 0.06 -0.04 6.97 6.83 2nm1A1 HIS 1241 HE1 -0.35 -0.02 0.01 -0.04 7.75 7.34 2nm1A1 ARG 1242 H -0.78 0.16 0.11 -0.55 8.46 7.40 2nm1A1 ARG 1242 HA -0.16 0.13 0.59 -0.75 4.34 4.14 2nm1A1 ARG 1242 HB2 -0.19 0.00 0.02 -0.04 1.90 1.69 2nm1A1 ARG 1242 HB3 -0.40 -0.01 0.11 -0.04 1.80 1.46 2nm1A1 ARG 1242 HG2 -0.22 0.05 -0.29 -0.04 1.67 1.17 2nm1A1 ARG 1242 HG3 -0.02 -0.03 -0.19 -0.04 1.67 1.39 2nm1A1 ARG 1242 HD2 0.15 -0.00 -0.10 -0.04 3.22 3.23 2nm1A1 ARG 1242 HD3 0.37 -0.02 -0.12 -0.04 3.22 3.42 2nm1A1 PHE 1243 H 0.07 0.89 0.41 -0.55 8.34 9.16 2nm1A1 PHE 1243 HA -0.87 0.14 0.97 -0.75 4.62 4.10 2nm1A1 PHE 1243 HB2 -0.04 0.09 0.07 -0.04 3.15 3.23 2nm1A1 PHE 1243 HB3 -0.26 0.05 -0.06 -0.04 3.06 2.75 2nm1A1 PHE 1243 HD2 0.03 0.07 -0.01 -0.04 7.28 7.33 2nm1A1 PHE 1243 HE2 0.10 0.04 -0.13 -0.04 7.38 7.34 2nm1A1 PHE 1243 HZ 0.02 -0.06 -0.46 -0.04 7.32 6.78 2nm1A1 TYR 1244 H -0.84 0.17 0.16 -0.55 8.29 7.23 2nm1A1 TYR 1244 HA -0.32 0.08 0.64 -0.75 4.56 4.20 2nm1A1 TYR 1244 HB2 -0.12 0.02 0.19 -0.04 3.06 3.12 2nm1A1 TYR 1244 HB3 -0.26 0.01 0.07 -0.04 2.98 2.75 2nm1A1 TYR 1244 HD2 -1.50 0.01 -0.01 -0.04 7.15 5.60 2nm1A1 TYR 1244 HE2 -0.34 -0.01 -0.02 -0.04 6.85 6.44 2nm1A1 GLU 1245 H 0.22 0.58 0.35 -0.55 8.60 9.21 2nm1A1 GLU 1245 HA 0.09 0.17 0.73 -0.75 4.29 4.51 2nm1A1 GLU 1245 HB2 0.17 -0.00 -0.06 -0.04 2.09 2.16 2nm1A1 GLU 1245 HB3 0.15 0.02 0.06 -0.04 1.99 2.18 2nm1A1 GLU 1245 HG2 0.10 -0.02 0.06 -0.04 2.34 2.43 2nm1A1 GLU 1245 HG3 0.09 0.02 0.01 -0.04 2.34 2.41 2nm1A1 SER 1246 H 0.15 0.06 -0.39 -0.55 8.46 7.74 2nm1A1 SER 1246 HA 0.11 -0.17 0.38 -0.75 4.49 4.06 2nm1A1 SER 1246 HB2 0.08 0.02 0.03 -0.04 3.95 4.04 2nm1A1 SER 1246 HB3 0.08 0.09 -0.07 -0.04 3.93 3.99 2nm1A1 GLY 1247 H 0.09 0.18 0.09 -0.55 8.43 8.24 2nm1A1 GLY 1247 HA2 0.07 0.19 0.84 -0.51 4.01 4.60 2nm1A1 GLY 1247 HA3 0.08 -0.02 0.34 -0.51 4.01 3.90 2nm1A1 ILE 1248 H 0.06 0.12 0.11 -0.55 8.25 7.98 2nm1A1 ILE 1248 HA 0.06 0.07 0.30 -0.75 4.18 3.86 2nm1A1 ILE 1248 HB 0.04 0.04 -0.03 -0.04 1.89 1.89 2nm1A1 ILE 1248 HG12 0.04 0.04 0.06 -0.04 1.49 1.59 2nm1A1 ILE 1248 HG13 0.05 -0.01 0.17 -0.04 1.21 1.38 2nm1A1 ILE 1248 HG23 0.04 0.01 0.05 -0.04 0.93 0.99 2nm1A1 ILE 1248 HD13 0.05 -0.12 0.06 -0.04 0.88 0.82 2nm1A1 VAL 1249 H 0.07 -0.02 -0.18 -0.55 8.24 7.56 2nm1A1 VAL 1249 HA 0.05 0.06 0.42 -0.75 4.13 3.90 2nm1A1 VAL 1249 HB 0.05 -0.01 0.10 -0.04 2.12 2.22 2nm1A1 VAL 1249 HG13 0.09 -0.14 0.10 -0.04 0.97 0.98 2nm1A1 VAL 1249 HG23 0.06 0.01 -0.03 -0.04 0.95 0.95 2nm1A1 PHE 1250 H 0.19 0.08 0.07 -0.55 8.34 8.13 2nm1A1 PHE 1250 HA 0.03 0.29 0.88 -0.75 4.62 5.05 2nm1A1 PHE 1250 HB2 0.01 -0.04 -0.08 -0.04 3.15 3.00 2nm1A1 PHE 1250 HB3 0.01 0.03 -0.08 -0.04 3.06 2.98 2nm1A1 PHE 1250 HD2 0.00 0.09 0.12 -0.04 7.28 7.45 2nm1A1 PHE 1250 HE2 -0.00 0.00 0.04 -0.04 7.38 7.38 2nm1A1 PHE 1250 HZ -0.00 -0.01 0.03 -0.04 7.32 7.30 2nm1A1 GLU 1251 H -0.56 0.16 0.13 -0.55 8.60 7.78 2nm1A1 GLU 1251 HA 0.04 -0.06 0.67 -0.75 4.29 4.19 2nm1A1 GLU 1251 HB2 0.13 -0.01 -0.02 -0.04 2.09 2.15 2nm1A1 GLU 1251 HB3 -0.04 0.05 0.09 -0.04 1.99 2.04 2nm1A1 GLU 1251 HG2 -0.85 0.00 0.15 -0.04 2.34 1.59 2nm1A1 GLU 1251 HG3 -0.48 0.01 0.11 -0.04 2.34 1.94 2nm1A1 GLU 1252 H 0.11 0.22 0.11 -0.55 8.60 8.49 2nm1A1 GLU 1252 HA -0.10 0.18 0.86 -0.75 4.29 4.47 2nm1A1 GLU 1252 HB2 0.03 0.01 -0.06 -0.04 2.09 2.03 2nm1A1 GLU 1252 HB3 0.08 0.02 0.02 -0.04 1.99 2.07 2nm1A1 GLU 1252 HG2 0.06 0.20 0.07 -0.04 2.34 2.63 2nm1A1 GLU 1252 HG3 -0.01 -0.03 0.11 -0.04 2.34 2.37 2nm1A1 TYR 1253 H 0.05 0.18 0.17 -0.55 8.29 8.14 2nm1A1 TYR 1253 HA 0.05 0.18 1.11 -0.75 4.56 5.15 2nm1A1 TYR 1253 HB2 0.01 -0.01 -0.00 -0.04 3.06 3.02 2nm1A1 TYR 1253 HB3 -0.03 0.00 -0.04 -0.04 2.98 2.87 2nm1A1 TYR 1253 HD2 0.10 0.08 -0.67 -0.04 7.15 6.63 2nm1A1 TYR 1253 HE2 0.06 -0.01 -0.13 -0.04 6.85 6.72 2nm1A1 LYS 1254 H 0.13 0.62 0.33 -0.55 8.42 8.94 2nm1A1 LYS 1254 HA 0.04 0.07 0.62 -0.75 4.32 4.30 2nm1A1 LYS 1254 HB2 0.08 0.09 -0.15 -0.04 1.87 1.85 2nm1A1 LYS 1254 HB3 0.24 -0.02 -0.03 -0.04 1.79 1.94 2nm1A1 LYS 1254 HG2 -0.33 0.20 -0.03 -0.04 1.46 1.25 2nm1A1 LYS 1254 HG3 -0.10 0.00 0.16 -0.04 1.46 1.48 2nm1A1 LYS 1254 HD2 -0.07 -0.03 -0.05 -0.04 1.69 1.50 2nm1A1 LYS 1254 HD3 -0.33 -0.02 0.03 -0.04 1.68 1.31 2nm1A1 LYS 1254 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.92 2nm1A1 LYS 1254 HE3 -0.05 0.01 0.03 -0.04 2.99 2.94 2nm1A1 ASP 1255 H -0.05 0.19 0.19 -0.55 8.40 8.19 2nm1A1 ASP 1255 HA 0.09 0.19 0.71 -0.75 4.63 4.87 2nm1A1 ASP 1255 HB2 -0.05 0.05 0.12 -0.04 2.71 2.79 2nm1A1 ASP 1255 HB3 0.04 0.02 -0.11 -0.04 2.70 2.60 2nm1A1 TYR 1256 H 0.41 0.60 0.40 -0.55 8.29 9.14 2nm1A1 TYR 1256 HA 0.15 0.18 1.07 -0.75 4.56 5.20 2nm1A1 TYR 1256 HB2 0.25 -0.04 0.03 -0.04 3.06 3.25 2nm1A1 TYR 1256 HB3 0.04 0.10 0.03 -0.04 2.98 3.10 2nm1A1 TYR 1256 HD2 0.12 0.05 -0.16 -0.04 7.15 7.12 2nm1A1 TYR 1256 HE2 0.02 -0.01 -0.13 -0.04 6.85 6.68 2nm1A1 PHE 1257 H 0.39 0.73 0.30 -0.55 8.34 9.21 2nm1A1 PHE 1257 HA 0.24 0.13 0.55 -0.75 4.62 4.79 2nm1A1 PHE 1257 HB2 0.11 -0.02 0.07 -0.04 3.15 3.27 2nm1A1 PHE 1257 HB3 0.13 -0.11 0.29 -0.04 3.06 3.33 2nm1A1 PHE 1257 HD2 0.13 0.02 0.01 -0.04 7.28 7.40 2nm1A1 PHE 1257 HE2 -0.42 0.02 -0.11 -0.04 7.38 6.83 2nm1A1 PHE 1257 HZ -0.44 0.01 -0.11 -0.04 7.32 6.74 2nm1A1 CYS 1258 H 0.30 0.65 0.37 -0.55 8.50 9.28 2nm1A1 CYS 1258 HA 0.04 0.08 1.09 -0.75 4.58 5.04 2nm1A1 CYS 1258 HB2 0.24 0.16 0.02 -0.04 2.97 3.35 2nm1A1 CYS 1258 HB3 0.46 -0.02 -0.36 -0.04 2.97 3.01 2nm1A1 ILE 1259 H -0.02 0.61 0.32 -0.55 8.25 8.60 2nm1A1 ILE 1259 HA 0.13 0.24 0.73 -0.75 4.18 4.52 2nm1A1 ILE 1259 HB -0.09 0.02 -0.12 -0.04 1.89 1.66 2nm1A1 ILE 1259 HG12 0.07 0.00 -0.30 -0.04 1.49 1.22 2nm1A1 ILE 1259 HG13 0.21 0.01 -0.35 -0.04 1.21 1.04 2nm1A1 ILE 1259 HG23 -0.60 0.03 -0.07 -0.04 0.93 0.24 2nm1A1 ILE 1259 HD13 0.06 0.00 -0.28 -0.04 0.88 0.62 2nm1A1 SER 1260 H 0.22 0.66 0.27 -0.55 8.46 9.07 2nm1A1 SER 1260 HA 0.06 0.23 0.99 -0.75 4.49 5.01 2nm1A1 SER 1260 HB2 0.09 0.07 -0.22 -0.04 3.95 3.85 2nm1A1 SER 1260 HB3 0.34 0.03 -0.00 -0.04 3.93 4.26 2nm1A1 LYS 1261 H 0.17 0.79 0.36 -0.55 8.42 9.18 2nm1A1 LYS 1261 HA 0.17 0.11 0.76 -0.75 4.32 4.61 2nm1A1 LYS 1261 HB2 0.17 0.05 0.24 -0.04 1.87 2.29 2nm1A1 LYS 1261 HB3 0.12 -0.04 0.11 -0.04 1.79 1.94 2nm1A1 LYS 1261 HG2 0.19 0.14 0.12 -0.04 1.46 1.87 2nm1A1 LYS 1261 HG3 0.39 -0.01 0.08 -0.04 1.46 1.88 2nm1A1 LYS 1261 HD2 0.07 -0.09 0.04 -0.04 1.69 1.67 2nm1A1 LYS 1261 HD3 0.04 0.06 0.03 -0.04 1.68 1.76 2nm1A1 LYS 1261 HE2 0.39 0.10 0.06 -0.04 2.99 3.50 2nm1A1 LYS 1261 HE3 0.14 -0.19 0.05 -0.04 2.99 2.95 2nm1A1 TRP 1262 H 0.19 0.09 -0.05 -0.55 7.97 7.65 2nm1A1 TRP 1262 HA -0.06 0.14 0.41 -0.75 4.62 4.35 2nm1A1 TRP 1262 HB2 -0.16 0.01 0.09 -0.04 3.23 3.13 2nm1A1 TRP 1262 HB3 -0.38 -0.01 -0.02 -0.04 3.23 2.78 2nm1A1 TRP 1262 HD1 -0.07 0.02 0.03 -0.04 7.22 7.17 2nm1A1 TRP 1262 HE1 -0.05 0.04 0.01 -0.04 10.20 10.16 2nm1A1 TRP 1262 HE3 -0.71 -0.03 -0.24 -0.04 7.59 6.56 2nm1A1 TRP 1262 HZ2 -0.04 0.04 -0.01 -0.04 7.44 7.39 2nm1A1 TRP 1262 HZ3 -0.04 -0.03 -0.04 -0.04 7.13 6.98 2nm1A1 TRP 1262 HH2 -0.03 0.04 -0.01 -0.04 7.19 7.14 2nm1A1 TYR 1263 H 0.11 0.16 -0.36 -0.55 8.29 7.65 2nm1A1 TYR 1263 HA -0.14 0.06 0.45 -0.75 4.56 4.18 2nm1A1 TYR 1263 HB2 0.12 0.08 -0.00 -0.04 3.06 3.22 2nm1A1 TYR 1263 HB3 0.07 0.04 -0.06 -0.04 2.98 2.99 2nm1A1 TYR 1263 HD2 0.16 0.07 -0.07 -0.04 7.15 7.27 2nm1A1 TYR 1263 HE2 0.20 -0.02 -0.10 -0.04 6.85 6.90 2nm1A1 LEU 1264 H 0.07 0.22 -0.35 -0.55 8.37 7.77 2nm1A1 LEU 1264 HA 0.00 0.04 0.26 -0.75 4.35 3.90 2nm1A1 LEU 1264 HB2 -0.01 0.20 0.12 -0.04 1.64 1.91 2nm1A1 LEU 1264 HB3 -0.00 0.02 -0.04 -0.04 1.64 1.58 2nm1A1 LEU 1264 HG 0.12 -0.10 0.10 -0.04 1.64 1.72 2nm1A1 LEU 1264 HD13 0.08 0.02 -0.10 -0.04 0.93 0.90 2nm1A1 LEU 1264 HD23 0.10 -0.02 -0.09 -0.04 0.89 0.84 2nm1A1 LYS 1265 H -0.22 0.18 -0.32 -0.55 8.42 7.50 2nm1A1 LYS 1265 HA -0.15 0.14 0.56 -0.75 4.32 4.11 2nm1A1 LYS 1265 HB2 -0.20 -0.00 0.02 -0.04 1.87 1.65 2nm1A1 LYS 1265 HB3 -0.18 0.00 0.05 -0.04 1.79 1.63 2nm1A1 LYS 1265 HG2 -0.57 0.17 0.13 -0.04 1.46 1.15 2nm1A1 LYS 1265 HG3 -0.62 0.01 -0.07 -0.04 1.46 0.74 2nm1A1 LYS 1265 HD2 -0.24 -0.01 -0.02 -0.04 1.69 1.38 2nm1A1 LYS 1265 HD3 -0.23 -0.01 0.02 -0.04 1.68 1.42 2nm1A1 LYS 1265 HE2 -0.13 -0.03 0.01 -0.04 2.99 2.81 2nm1A1 LYS 1265 HE3 -1.19 -0.04 0.08 -0.04 2.99 1.80 2nm1A1 GLU 1266 H -0.50 0.23 -0.06 -0.55 8.60 7.73 2nm1A1 GLU 1266 HA -0.33 0.05 0.41 -0.75 4.29 3.66 2nm1A1 GLU 1266 HB2 -0.40 -0.02 0.17 -0.04 2.09 1.80 2nm1A1 GLU 1266 HB3 -0.24 -0.03 0.01 -0.04 1.99 1.69 2nm1A1 GLU 1266 HG2 -2.01 0.10 0.08 -0.04 2.34 0.47 2nm1A1 GLU 1266 HG3 -1.40 -0.06 0.01 -0.04 2.34 0.86 2nm1A1 VAL 1267 H -0.15 0.61 -0.24 -0.55 8.24 7.91 2nm1A1 VAL 1267 HA -0.00 -0.01 0.35 -0.75 4.13 3.71 2nm1A1 VAL 1267 HB -0.46 -0.04 0.04 -0.04 2.12 1.61 2nm1A1 VAL 1267 HG13 0.06 0.01 -0.06 -0.04 0.97 0.93 2nm1A1 VAL 1267 HG23 -0.51 0.05 -0.15 -0.04 0.95 0.31 2nm1A1 LYS 1268 H -0.15 0.34 -0.63 -0.55 8.42 7.43 2nm1A1 LYS 1268 HA -0.07 0.11 0.62 -0.75 4.32 4.23 2nm1A1 LYS 1268 HB2 -0.10 0.18 0.10 -0.04 1.87 2.01 2nm1A1 LYS 1268 HB3 -0.06 -0.08 0.04 -0.04 1.79 1.65 2nm1A1 LYS 1268 HG2 -0.08 -0.03 -0.01 -0.04 1.46 1.30 2nm1A1 LYS 1268 HG3 -0.15 0.07 -0.02 -0.04 1.46 1.33 2nm1A1 LYS 1268 HD2 -0.08 -0.01 0.06 -0.04 1.69 1.61 2nm1A1 LYS 1268 HD3 -0.05 -0.06 0.01 -0.04 1.68 1.54 2nm1A1 LYS 1268 HE2 -0.04 -0.03 -0.01 -0.04 2.99 2.87 2nm1A1 LYS 1268 HE3 -0.07 0.16 -0.00 -0.04 2.99 3.04 2nm1A1 ARG 1269 H -0.09 0.26 -0.13 -0.55 8.46 7.95 2nm1A1 ARG 1269 HA -0.04 -0.03 0.41 -0.75 4.34 3.93 2nm1A1 ARG 1269 HB2 -0.10 0.19 0.17 -0.04 1.90 2.13 2nm1A1 ARG 1269 HB3 -0.05 0.03 -0.13 -0.04 1.80 1.60 2nm1A1 ARG 1269 HG2 -0.05 -0.01 0.04 -0.04 1.67 1.61 2nm1A1 ARG 1269 HG3 -0.10 -0.01 0.04 -0.04 1.67 1.55 2nm1A1 ARG 1269 HD2 -0.10 -0.05 0.03 -0.04 3.22 3.07 2nm1A1 ARG 1269 HD3 -0.05 0.02 -0.02 -0.04 3.22 3.13 2nm1A1 LYS 1270 H -0.01 0.13 0.17 -0.55 8.42 8.16 2nm1A1 LYS 1270 HA 0.04 0.05 0.63 -0.75 4.32 4.29 2nm1A1 LYS 1270 HB2 0.01 -0.03 0.09 -0.04 1.87 1.90 2nm1A1 LYS 1270 HB3 0.03 -0.05 0.04 -0.04 1.79 1.77 2nm1A1 LYS 1270 HG2 0.06 0.02 -0.12 -0.04 1.46 1.38 2nm1A1 LYS 1270 HG3 0.02 0.22 -0.22 -0.04 1.46 1.44 2nm1A1 LYS 1270 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.62 2nm1A1 LYS 1270 HD3 0.03 -0.06 0.01 -0.04 1.68 1.61 2nm1A1 LYS 1270 HE2 0.02 0.05 -0.00 -0.04 2.99 3.01 2nm1A1 LYS 1270 HE3 0.02 -0.05 0.00 -0.04 2.99 2.92 2nm1A1 PRO 1271 HA 0.06 0.02 0.40 -0.51 4.44 4.41 2nm1A1 PRO 1271 HB2 0.05 0.08 0.02 -0.04 2.28 2.39 2nm1A1 PRO 1271 HB3 0.03 0.00 0.11 -0.04 2.02 2.13 2nm1A1 PRO 1271 HG2 0.01 0.03 -0.01 -0.04 2.03 2.02 2nm1A1 PRO 1271 HG3 0.02 0.01 0.07 -0.04 2.03 2.08 2nm1A1 PRO 1271 HD2 0.01 0.11 0.37 -0.04 3.68 4.13 2nm1A1 PRO 1271 HD3 0.01 0.06 0.17 -0.04 3.65 3.85 2nm1A1 TYR 1272 H 0.18 0.02 0.16 -0.55 8.29 8.09 2nm1A1 TYR 1272 HA -0.00 0.30 0.38 -0.75 4.56 4.48 2nm1A1 TYR 1272 HB2 0.02 0.09 0.14 -0.04 3.06 3.27 2nm1A1 TYR 1272 HB3 0.02 -0.11 0.06 -0.04 2.98 2.91 2nm1A1 TYR 1272 HD2 0.01 0.12 -0.18 -0.04 7.15 7.06 2nm1A1 TYR 1272 HE2 -0.00 -0.00 -0.08 -0.04 6.85 6.72 2nm1A1 ASN 1273 H -0.66 0.20 0.11 -0.55 8.53 7.64 2nm1A1 ASN 1273 HA -0.13 0.12 0.63 -0.75 4.76 4.62 2nm1A1 ASN 1273 HB2 -0.15 0.14 0.07 -0.04 2.88 2.90 2nm1A1 ASN 1273 HB3 -0.29 -0.03 0.17 -0.04 2.79 2.60 2nm1A1 ASN 1273 HD21 0.01 0.02 -0.10 -0.04 7.03 6.92 2nm1A1 ASN 1273 HD22 -0.00 0.05 -0.03 -0.04 7.74 7.72 2nm1A1 LEU 1274 H -0.03 0.27 0.16 -0.55 8.37 8.22 2nm1A1 LEU 1274 HA 0.08 0.08 0.30 -0.75 4.35 4.07 2nm1A1 LEU 1274 HB2 0.01 -0.03 0.06 -0.04 1.64 1.65 2nm1A1 LEU 1274 HB3 0.03 0.03 0.03 -0.04 1.64 1.70 2nm1A1 LEU 1274 HG 0.04 0.03 0.02 -0.04 1.64 1.70 2nm1A1 LEU 1274 HD13 0.13 0.00 -0.03 -0.04 0.93 0.99 2nm1A1 LEU 1274 HD23 0.07 0.00 0.03 -0.04 0.89 0.95 2nm1A1 LYS 1275 H -0.05 0.01 -0.39 -0.55 8.42 7.43 2nm1A1 LYS 1275 HA -0.05 0.28 0.57 -0.75 4.32 4.37 2nm1A1 LYS 1275 HB2 -0.02 -0.03 -0.05 -0.04 1.87 1.73 2nm1A1 LYS 1275 HB3 -0.03 0.05 0.10 -0.04 1.79 1.87 2nm1A1 LYS 1275 HG2 -0.01 0.08 -0.09 -0.04 1.46 1.40 2nm1A1 LYS 1275 HG3 -0.01 -0.10 -0.04 -0.04 1.46 1.27 2nm1A1 LYS 1275 HD2 -0.00 0.03 -0.00 -0.04 1.69 1.67 2nm1A1 LYS 1275 HD3 0.00 0.01 -0.02 -0.04 1.68 1.63 2nm1A1 LYS 1275 HE2 -0.00 -0.00 -0.03 -0.04 2.99 2.91 2nm1A1 LYS 1275 HE3 0.00 0.00 -0.01 -0.04 2.99 2.94 2nm1A1 LEU 1276 H -0.11 0.40 -0.33 -0.55 8.37 7.78 2nm1A1 LEU 1276 HA 0.07 0.01 0.39 -0.75 4.35 4.06 2nm1A1 LEU 1276 HB2 -0.13 0.12 0.04 -0.04 1.64 1.63 2nm1A1 LEU 1276 HB3 -0.06 -0.17 -0.01 -0.04 1.64 1.35 2nm1A1 LEU 1276 HG -0.21 0.08 0.08 -0.04 1.64 1.55 2nm1A1 LEU 1276 HD13 -0.23 0.03 -0.10 -0.04 0.93 0.59 2nm1A1 LEU 1276 HD23 0.19 -0.01 -0.01 -0.04 0.89 1.02 2nm1A1 GLY 1277 H 0.14 0.14 0.18 -0.55 8.43 8.35 2nm1A1 GLY 1277 HA2 -0.26 0.04 0.42 -0.51 4.01 3.71 2nm1A1 GLY 1277 HA3 -0.01 0.03 0.37 -0.51 4.01 3.88 2nm1A1 CYS 1278 H -0.57 0.00 -0.57 -0.55 8.50 6.81 2nm1A1 CYS 1278 HA -0.27 0.39 0.93 -0.75 4.58 4.88 2nm1A1 CYS 1278 HB2 -0.10 -0.00 0.12 -0.04 2.97 2.95 2nm1A1 CYS 1278 HB3 -1.10 -0.09 -0.08 -0.04 2.97 1.66 2nm1A1 ASN 1279 H -0.37 0.33 -0.29 -0.55 8.53 7.65 2nm1A1 ASN 1279 HA -0.02 0.20 0.71 -0.75 4.76 4.90 2nm1A1 ASN 1279 HB2 -0.16 0.02 0.13 -0.04 2.88 2.83 2nm1A1 ASN 1279 HB3 -0.02 -0.01 0.00 -0.04 2.79 2.72 2nm1A1 ASN 1279 HD21 0.03 0.11 -0.02 -0.04 7.03 7.11 2nm1A1 ASN 1279 HD22 -0.03 0.20 -0.24 -0.04 7.74 7.64 2nm1A1 TRP 1280 H 0.14 0.77 0.42 -0.55 7.97 8.75 2nm1A1 TRP 1280 HA -0.14 0.26 1.16 -0.75 4.62 5.15 2nm1A1 TRP 1280 HB2 -0.20 -0.02 -0.00 -0.04 3.23 2.97 2nm1A1 TRP 1280 HB3 -0.43 0.01 0.03 -0.04 3.23 2.80 2nm1A1 TRP 1280 HD1 -0.06 0.07 -0.03 -0.04 7.22 7.16 2nm1A1 TRP 1280 HE1 0.00 0.32 -0.25 -0.04 10.20 10.23 2nm1A1 TRP 1280 HE3 -0.28 0.12 -0.23 -0.04 7.59 7.17 2nm1A1 TRP 1280 HZ2 0.21 -0.01 -0.23 -0.04 7.44 7.37 2nm1A1 TRP 1280 HZ3 -0.20 -0.01 -0.28 -0.04 7.13 6.60 2nm1A1 TRP 1280 HH2 0.05 -0.05 -0.19 -0.04 7.19 6.95 2nm1A1 GLN 1281 H 0.13 0.62 0.40 -0.55 8.47 9.07 2nm1A1 GLN 1281 HA 0.07 0.27 0.85 -0.75 4.36 4.79 2nm1A1 GLN 1281 HB2 0.50 -0.06 -0.04 -0.04 2.15 2.51 2nm1A1 GLN 1281 HB3 0.22 -0.00 -0.04 -0.04 2.02 2.16 2nm1A1 GLN 1281 HG2 0.15 0.51 -0.22 -0.04 2.40 2.81 2nm1A1 GLN 1281 HG3 0.19 -0.12 -0.51 -0.04 2.39 1.91 2nm1A1 GLN 1281 HE21 0.09 0.02 -0.12 -0.04 6.97 6.92 2nm1A1 GLN 1281 HE22 0.14 -0.07 -0.22 -0.04 7.69 7.50 2nm1A1 PHE 1282 H 0.08 0.25 0.20 -0.55 8.34 8.32 2nm1A1 PHE 1282 HA -0.10 0.31 1.09 -0.75 4.62 5.17 2nm1A1 PHE 1282 HB2 -0.68 -0.01 0.13 -0.04 3.15 2.55 2nm1A1 PHE 1282 HB3 -1.14 0.02 -0.04 -0.04 3.06 1.86 2nm1A1 PHE 1282 HD2 -0.14 0.06 -0.13 -0.04 7.28 7.03 2nm1A1 PHE 1282 HE2 -0.16 -0.01 -0.18 -0.04 7.38 6.99 2nm1A1 PHE 1282 HZ -0.22 -0.03 -0.17 -0.04 7.32 6.86 2nm1A1 ILE 1283 H 0.14 0.82 0.30 -0.55 8.25 8.96 2nm1A1 ILE 1283 HA -0.14 0.16 1.20 -0.75 4.18 4.65 2nm1A1 ILE 1283 HB 0.06 -0.03 0.12 -0.04 1.89 1.99 2nm1A1 ILE 1283 HG12 -1.13 -0.01 -0.21 -0.04 1.49 0.10 2nm1A1 ILE 1283 HG13 -0.30 -0.02 -0.30 -0.04 1.21 0.55 2nm1A1 ILE 1283 HG23 -0.38 0.01 -0.17 -0.04 0.93 0.35 2nm1A1 ILE 1283 HD13 -0.89 0.02 -0.11 -0.04 0.88 -0.15 2nm1A1 PRO 1284 HA 0.27 0.19 0.82 -0.51 4.44 5.21 2nm1A1 PRO 1284 HB2 0.19 0.08 0.05 -0.04 2.28 2.57 2nm1A1 PRO 1284 HB3 0.20 0.07 0.05 -0.04 2.02 2.30 2nm1A1 PRO 1284 HG2 0.69 0.03 -0.06 -0.04 2.03 2.64 2nm1A1 PRO 1284 HG3 0.49 0.03 0.01 -0.04 2.03 2.51 2nm1A1 PRO 1284 HD2 0.14 0.01 0.29 -0.04 3.68 4.08 2nm1A1 PRO 1284 HD3 0.42 0.15 -0.02 -0.04 3.65 4.16 2nm1A1 LYS 1285 H 0.11 0.12 0.13 -0.55 8.42 8.23 2nm1A1 LYS 1285 HA -0.13 0.05 0.43 -0.75 4.32 3.91 2nm1A1 LYS 1285 HB2 -0.02 -0.01 0.11 -0.04 1.87 1.90 2nm1A1 LYS 1285 HB3 -0.09 0.00 -0.04 -0.04 1.79 1.62 2nm1A1 LYS 1285 HG2 -0.05 0.00 0.05 -0.04 1.46 1.43 2nm1A1 LYS 1285 HG3 -0.10 -0.01 0.02 -0.04 1.46 1.33 2nm1A1 LYS 1285 HD2 -1.49 0.04 0.05 -0.04 1.69 0.24 2nm1A1 LYS 1285 HD3 -0.79 0.01 -0.01 -0.04 1.68 0.85 2nm1A1 LYS 1285 HE2 -0.15 -0.01 -0.02 -0.04 2.99 2.77 2nm1A1 LYS 1285 HE3 -0.24 -0.01 0.00 -0.04 2.99 2.70 2nm1A1 ASP 1286 H 0.38 0.28 0.20 -0.55 8.40 8.72 2nm1A1 ASP 1286 HA 0.03 0.14 0.83 -0.75 4.63 4.88 2nm1A1 ASP 1286 HB2 -0.19 0.18 -0.22 -0.04 2.71 2.43 2nm1A1 ASP 1286 HB3 -0.56 0.00 0.04 -0.04 2.70 2.14 2nm1A1 GLU 1287 H 0.03 0.20 0.09 -0.55 8.60 8.37 2nm1A1 GLU 1287 HA 0.09 0.08 0.28 -0.75 4.29 3.99 2nm1A1 GLU 1287 HB2 0.07 0.02 0.07 -0.04 2.09 2.21 2nm1A1 GLU 1287 HB3 0.02 0.00 0.09 -0.04 1.99 2.06 2nm1A1 GLU 1287 HG2 0.02 -0.03 0.01 -0.04 2.34 2.30 2nm1A1 GLU 1287 HG3 0.24 0.07 -0.27 -0.04 2.34 2.34 2nm1A1 GLY 1288 H 0.04 0.05 -0.44 -0.55 8.43 7.53 2nm1A1 GLY 1288 HA2 0.09 0.15 0.53 -0.51 4.01 4.27 2nm1A1 GLY 1288 HA3 0.04 0.03 0.26 -0.51 4.01 3.83 2nm1A1 TRP 1289 H 0.09 0.58 -0.41 -0.55 7.97 7.69 2nm1A1 TRP 1289 HA -0.21 0.10 0.75 -0.75 4.62 4.51 2nm1A1 TRP 1289 HB2 -0.42 0.06 -0.13 -0.04 3.23 2.70 2nm1A1 TRP 1289 HB3 -0.08 -0.02 0.12 -0.04 3.23 3.20 2nm1A1 TRP 1289 HD1 -0.54 -0.09 -0.27 -0.04 7.22 6.28 2nm1A1 TRP 1289 HE1 -0.42 -0.14 -0.13 -0.04 10.20 9.47 2nm1A1 TRP 1289 HE3 0.02 0.05 -0.10 -0.04 7.59 7.52 2nm1A1 TRP 1289 HZ2 -0.33 0.07 -0.06 -0.04 7.44 7.08 2nm1A1 TRP 1289 HZ3 0.02 -0.05 -0.03 -0.04 7.13 7.04 2nm1A1 TRP 1289 HH2 -0.05 -0.00 -0.00 -0.04 7.19 7.10 2nm1A1 THR 1290 H -0.53 0.25 0.02 -0.55 8.28 7.47 2nm1A1 THR 1290 HA 0.11 0.16 0.92 -0.75 4.39 4.83 2nm1A1 THR 1290 HB -0.02 -0.05 0.02 -0.04 4.32 4.23 2nm1A1 THR 1290 HG23 0.00 0.02 -0.15 -0.04 1.22 1.05 2nm1A1 GLU 1291 H 0.12 0.15 -0.01 -0.55 8.60 8.31 2nm1A1 GLU 1291 HA -0.09 0.23 0.90 -0.75 4.29 4.58 2nm1A1 GLU 1291 HB2 0.23 0.02 0.04 -0.04 2.09 2.34 2nm1A1 GLU 1291 HB3 -0.07 0.07 -0.15 -0.04 1.99 1.80 2nm1A1 GLU 1291 HG2 0.13 0.03 -0.04 -0.04 2.34 2.42 2nm1A1 GLU 1291 HG3 0.20 0.04 0.08 -0.04 2.34 2.61 2nm1A1 PRO 1292 HA 0.08 0.10 0.42 -0.51 4.44 4.53 2nm1A1 PRO 1292 HB2 0.06 -0.02 0.00 -0.04 2.28 2.29 2nm1A1 PRO 1292 HB3 0.05 0.04 0.05 -0.04 2.02 2.12 2nm1A1 PRO 1292 HG2 0.02 -0.02 0.01 -0.04 2.03 1.99 2nm1A1 PRO 1292 HG3 0.03 0.05 -0.00 -0.04 2.03 2.07 2nm1A1 PRO 1292 HD2 0.03 0.09 0.04 -0.04 3.68 3.79 2nm1A1 PRO 1292 HD3 -0.04 0.07 -0.61 -0.04 3.65 3.03 2nm1A1 PRO 1293 HA 0.07 0.13 0.24 -0.51 4.44 4.37 2nm1A1 PRO 1293 HB2 0.03 0.02 0.08 -0.04 2.28 2.38 2nm1A1 PRO 1293 HB3 0.05 0.06 0.09 -0.04 2.02 2.18 2nm1A1 PRO 1293 HG2 0.04 0.01 0.05 -0.04 2.03 2.09 2nm1A1 PRO 1293 HG3 0.04 0.05 0.07 -0.04 2.03 2.15 2nm1A1 PRO 1293 HD2 0.06 0.04 0.19 -0.04 3.68 3.93 2nm1A1 PRO 1293 HD3 0.07 0.19 0.18 -0.04 3.65 4.05